USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 127 ASN :FLIP amide:sc= 0.828 F(o=-6.8,f=-1.8) USER MOD Set 1.2: B 130 ASN :FLIP amide:sc= -3.06! C(o=-5.8!,f=-1.8!) USER MOD Set 1.3: B 161 ASN :FLIP amide:sc= 0.384 F(o=-3.5,f=-1.8) USER MOD Set 2.1: B 117 GLN : amide:sc= 0 K(o=-3.5,f=-4.3) USER MOD Set 2.2: B 131 CYS SG : rot -160:sc= -1.25 USER MOD Set 2.3: B 135 MET CE :methyl -105:sc= -2.3! (180deg=-1.93!) USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 37 HIS :FLIP no HE2:sc= 0.308 F(o=-1,f=0.31) USER MOD Set 4.1: A 17 GLN : amide:sc= -0.126 X(o=-4.5,f=-4.4) USER MOD Set 4.2: A 31 CYS SG : rot -170:sc= -0.438 USER MOD Set 4.3: A 35 MET CE :methyl -162:sc= -3.89! (180deg=-3.54!) USER MOD Set 5.1: A 27 ASN :FLIP amide:sc= 1.03 F(o=-7.5,f=-1.9) USER MOD Set 5.2: A 30 ASN :FLIP amide:sc= -3.45! C(o=-5.4!,f=-1.9!) USER MOD Set 5.3: A 61 ASN :FLIP amide:sc= 0.565 F(o=-4.4,f=-1.9) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= -1.23! (180deg=-1.39!) USER MOD Single : A 23 MET CE :methyl 156:sc= -0.758 (180deg=-2.52!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc=-0.00454 X(o=-0.0045,f=-0.0051) USER MOD Single : A 39 LYS NZ :NH3+ -132:sc= 0.339 (180deg=-0.00809) USER MOD Single : A 40 ASN : amide:sc= -2.91! C(o=-2.9!,f=-7.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.46) USER MOD Single : A 53 THR OG1 : rot 64:sc= 0.945 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0235 (180deg=-0.305) USER MOD Single : A 64 GLN : amide:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.28 F(o=-1.1,f=0.28) USER MOD Single : A 71 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 72 SER OG : rot -150:sc= -0.618 USER MOD Single : B 122 LYS NZ :NH3+ -170:sc= -0.948! (180deg=-1.46!) USER MOD Single : B 123 MET CE :methyl 155:sc= -0.0875 (180deg=-0.724) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 SER OG : rot 90:sc= 0.0742 USER MOD Single : B 136 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : B 137 HIS :FLIP no HE2:sc= 0.123 F(o=-0.68,f=0.12) USER MOD Single : B 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 140 ASN : amide:sc= -3.63! C(o=-3.6!,f=-5.6!) USER MOD Single : B 148 SER OG : rot 180:sc= 0 USER MOD Single : B 149 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.27) USER MOD Single : B 153 THR OG1 : rot 69:sc= 1.21 USER MOD Single : B 154 SER OG : rot 75:sc= 1.13 USER MOD Single : B 158 ASN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : B 163 LYS NZ :NH3+ 174:sc=-0.00136 (180deg=-0.0296) USER MOD Single : B 164 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : B 166 TYR OH : rot 180:sc= 0 USER MOD Single : B 170 HIS : no HE2:sc= 0.435 K(o=0.44,f=-1.5!) USER MOD Single : B 171 THR OG1 : rot 75:sc= 1.28 USER MOD Single : B 172 SER OG : rot 58:sc= 0.612 USER MOD ----------------------------------------------------------------- ATOM 217 N GLY A 15 10.139 2.134 8.650 1.00 0.00 N ATOM 218 CA GLY A 15 8.835 2.680 8.297 1.00 0.00 C ATOM 219 C GLY A 15 8.090 1.845 7.259 1.00 0.00 C ATOM 220 O GLY A 15 7.061 1.224 7.572 1.00 0.00 O ATOM 0 HA2 GLY A 15 8.225 2.756 9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.965 3.692 7.914 1.00 0.00 H new ATOM 224 N PRO A 16 8.585 1.800 6.024 1.00 0.00 N ATOM 225 CA PRO A 16 7.967 1.023 4.956 1.00 0.00 C ATOM 226 C PRO A 16 8.117 -0.526 5.186 1.00 0.00 C ATOM 227 O PRO A 16 7.253 -1.318 4.769 1.00 0.00 O ATOM 228 CB PRO A 16 8.719 1.540 3.701 1.00 0.00 C ATOM 229 CG PRO A 16 10.050 1.914 4.219 1.00 0.00 C ATOM 230 CD PRO A 16 9.777 2.542 5.549 1.00 0.00 C ATOM 0 HA PRO A 16 6.887 1.151 4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.790 0.771 2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.210 2.393 3.252 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.696 1.042 4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.555 2.610 3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.621 2.430 6.230 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.579 3.610 5.459 1.00 0.00 H new ATOM 238 N GLN A 17 9.178 -0.944 5.899 1.00 0.00 N ATOM 239 CA GLN A 17 9.393 -2.374 6.197 1.00 0.00 C ATOM 240 C GLN A 17 8.298 -2.891 7.136 1.00 0.00 C ATOM 241 O GLN A 17 7.674 -3.930 6.882 1.00 0.00 O ATOM 242 CB GLN A 17 10.781 -2.614 6.805 1.00 0.00 C ATOM 243 CG GLN A 17 11.063 -4.079 7.142 1.00 0.00 C ATOM 244 CD GLN A 17 12.456 -4.307 7.702 1.00 0.00 C ATOM 245 OE1 GLN A 17 13.019 -3.443 8.366 1.00 0.00 O ATOM 246 NE2 GLN A 17 13.021 -5.464 7.446 1.00 0.00 N ATOM 0 H GLN A 17 9.893 -0.322 6.276 1.00 0.00 H new ATOM 0 HA GLN A 17 9.341 -2.926 5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.539 -2.259 6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.878 -2.017 7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.326 -4.427 7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.937 -4.683 6.243 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.526 -6.162 6.890 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.955 -5.665 7.803 1.00 0.00 H new ATOM 255 N ASP A 18 8.051 -2.141 8.196 1.00 0.00 N ATOM 256 CA ASP A 18 6.988 -2.447 9.160 1.00 0.00 C ATOM 257 C ASP A 18 5.632 -2.396 8.470 1.00 0.00 C ATOM 258 O ASP A 18 4.689 -3.107 8.850 1.00 0.00 O ATOM 259 CB ASP A 18 7.022 -1.465 10.346 1.00 0.00 C ATOM 260 CG ASP A 18 5.948 -1.723 11.380 1.00 0.00 C ATOM 261 OD1 ASP A 18 6.111 -2.625 12.228 1.00 0.00 O ATOM 262 OD2 ASP A 18 4.930 -1.002 11.388 1.00 0.00 O ATOM 0 H ASP A 18 8.579 -1.298 8.420 1.00 0.00 H new ATOM 0 HA ASP A 18 7.153 -3.452 9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.998 -1.523 10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.913 -0.448 9.968 1.00 0.00 H new ATOM 267 N PHE A 19 5.547 -1.567 7.423 1.00 0.00 N ATOM 268 CA PHE A 19 4.316 -1.387 6.684 1.00 0.00 C ATOM 269 C PHE A 19 3.938 -2.692 5.991 1.00 0.00 C ATOM 270 O PHE A 19 2.770 -3.027 5.880 1.00 0.00 O ATOM 271 CB PHE A 19 4.473 -0.261 5.665 1.00 0.00 C ATOM 272 CG PHE A 19 3.186 0.292 5.168 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.348 0.952 6.047 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.804 0.173 3.836 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.157 1.486 5.625 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.607 0.713 3.413 1.00 0.00 C ATOM 277 CZ PHE A 19 0.788 1.371 4.310 1.00 0.00 C ATOM 0 H PHE A 19 6.329 -1.012 7.075 1.00 0.00 H new ATOM 0 HA PHE A 19 3.518 -1.113 7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.052 0.545 6.116 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.049 -0.631 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.636 1.049 7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.443 -0.341 3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.512 1.995 6.326 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.310 0.621 2.379 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.146 1.796 3.974 1.00 0.00 H new ATOM 287 N LEU A 20 4.940 -3.422 5.553 1.00 0.00 N ATOM 288 CA LEU A 20 4.740 -4.722 4.938 1.00 0.00 C ATOM 289 C LEU A 20 4.319 -5.752 5.958 1.00 0.00 C ATOM 290 O LEU A 20 3.350 -6.452 5.772 1.00 0.00 O ATOM 291 CB LEU A 20 6.018 -5.215 4.285 1.00 0.00 C ATOM 292 CG LEU A 20 6.561 -4.394 3.146 1.00 0.00 C ATOM 293 CD1 LEU A 20 7.851 -5.007 2.647 1.00 0.00 C ATOM 294 CD2 LEU A 20 5.540 -4.309 2.027 1.00 0.00 C ATOM 0 H LEU A 20 5.917 -3.134 5.612 1.00 0.00 H new ATOM 0 HA LEU A 20 3.957 -4.597 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.788 -5.280 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.844 -6.228 3.921 1.00 0.00 H new ATOM 0 HG LEU A 20 6.766 -3.383 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.242 -4.411 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.580 -5.029 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.661 -6.023 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.945 -3.713 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.311 -5.312 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.629 -3.841 2.400 1.00 0.00 H new ATOM 306 N LEU A 21 5.036 -5.810 7.058 1.00 0.00 N ATOM 307 CA LEU A 21 4.839 -6.857 8.074 1.00 0.00 C ATOM 308 C LEU A 21 3.455 -6.817 8.741 1.00 0.00 C ATOM 309 O LEU A 21 3.059 -7.762 9.425 1.00 0.00 O ATOM 310 CB LEU A 21 5.939 -6.787 9.122 1.00 0.00 C ATOM 311 CG LEU A 21 7.359 -6.977 8.598 1.00 0.00 C ATOM 312 CD1 LEU A 21 8.371 -6.673 9.684 1.00 0.00 C ATOM 313 CD2 LEU A 21 7.553 -8.398 8.100 1.00 0.00 C ATOM 0 H LEU A 21 5.773 -5.143 7.287 1.00 0.00 H new ATOM 0 HA LEU A 21 4.892 -7.810 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.881 -5.819 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.745 -7.547 9.879 1.00 0.00 H new ATOM 0 HG LEU A 21 7.512 -6.286 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.378 -6.814 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.251 -5.641 10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.212 -7.345 10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.571 -8.518 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.380 -9.097 8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.847 -8.601 7.294 1.00 0.00 H new ATOM 325 N LYS A 22 2.728 -5.746 8.543 1.00 0.00 N ATOM 326 CA LYS A 22 1.395 -5.631 9.108 1.00 0.00 C ATOM 327 C LYS A 22 0.330 -5.961 8.077 1.00 0.00 C ATOM 328 O LYS A 22 -0.880 -5.872 8.351 1.00 0.00 O ATOM 329 CB LYS A 22 1.161 -4.251 9.638 1.00 0.00 C ATOM 330 CG LYS A 22 1.216 -3.183 8.584 1.00 0.00 C ATOM 331 CD LYS A 22 0.832 -1.841 9.127 1.00 0.00 C ATOM 332 CE LYS A 22 1.981 -1.125 9.885 1.00 0.00 C ATOM 333 NZ LYS A 22 2.431 -1.815 11.124 1.00 0.00 N ATOM 0 H LYS A 22 3.031 -4.939 7.997 1.00 0.00 H new ATOM 0 HA LYS A 22 1.326 -6.348 9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.186 -4.219 10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.907 -4.034 10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.223 -3.133 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.548 -3.447 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.500 -1.207 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.017 -1.960 9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.833 -1.022 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.655 -0.118 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.139 -1.228 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.616 -1.967 11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.853 -2.733 10.877 1.00 0.00 H new ATOM 347 N MET A 23 0.761 -6.308 6.893 1.00 0.00 N ATOM 348 CA MET A 23 -0.154 -6.651 5.844 1.00 0.00 C ATOM 349 C MET A 23 -0.480 -8.143 5.970 1.00 0.00 C ATOM 350 O MET A 23 0.390 -8.935 6.364 1.00 0.00 O ATOM 351 CB MET A 23 0.464 -6.402 4.458 1.00 0.00 C ATOM 352 CG MET A 23 0.943 -4.983 4.175 1.00 0.00 C ATOM 353 SD MET A 23 1.603 -4.851 2.497 1.00 0.00 S ATOM 354 CE MET A 23 2.049 -3.124 2.398 1.00 0.00 C ATOM 0 H MET A 23 1.746 -6.360 6.633 1.00 0.00 H new ATOM 0 HA MET A 23 -1.047 -6.033 5.938 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.309 -7.079 4.334 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.273 -6.671 3.702 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.117 -4.283 4.302 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.711 -4.703 4.896 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.821 -2.991 1.641 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.171 -2.536 2.129 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.427 -2.790 3.364 1.00 0.00 H new ATOM 364 N PRO A 24 -1.729 -8.554 5.733 1.00 0.00 N ATOM 365 CA PRO A 24 -2.084 -9.972 5.739 1.00 0.00 C ATOM 366 C PRO A 24 -1.446 -10.701 4.563 1.00 0.00 C ATOM 367 O PRO A 24 -1.672 -10.346 3.410 1.00 0.00 O ATOM 368 CB PRO A 24 -3.613 -9.987 5.623 1.00 0.00 C ATOM 369 CG PRO A 24 -3.984 -8.648 5.090 1.00 0.00 C ATOM 370 CD PRO A 24 -2.888 -7.690 5.481 1.00 0.00 C ATOM 0 HA PRO A 24 -1.730 -10.480 6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.948 -10.782 4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.078 -10.166 6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.095 -8.683 4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.941 -8.324 5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.684 -6.972 4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.158 -7.116 6.368 1.00 0.00 H new ATOM 378 N GLY A 25 -0.649 -11.701 4.856 1.00 0.00 N ATOM 379 CA GLY A 25 0.027 -12.411 3.809 1.00 0.00 C ATOM 380 C GLY A 25 1.519 -12.142 3.833 1.00 0.00 C ATOM 381 O GLY A 25 2.260 -12.579 2.957 1.00 0.00 O ATOM 0 H GLY A 25 -0.457 -12.035 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.153 -13.481 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.382 -12.115 2.843 1.00 0.00 H new ATOM 385 N VAL A 26 1.962 -11.419 4.828 1.00 0.00 N ATOM 386 CA VAL A 26 3.354 -11.076 4.944 1.00 0.00 C ATOM 387 C VAL A 26 3.981 -11.676 6.207 1.00 0.00 C ATOM 388 O VAL A 26 3.359 -11.725 7.270 1.00 0.00 O ATOM 389 CB VAL A 26 3.577 -9.529 4.902 1.00 0.00 C ATOM 390 CG1 VAL A 26 5.052 -9.169 5.080 1.00 0.00 C ATOM 391 CG2 VAL A 26 3.065 -8.955 3.588 1.00 0.00 C ATOM 0 H VAL A 26 1.372 -11.054 5.576 1.00 0.00 H new ATOM 0 HA VAL A 26 3.856 -11.510 4.079 1.00 0.00 H new ATOM 0 HB VAL A 26 3.017 -9.095 5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.169 -8.086 5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.404 -9.541 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.636 -9.623 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.227 -7.877 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.601 -9.414 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.999 -9.163 3.491 1.00 0.00 H new ATOM 401 N ASN A 27 5.193 -12.160 6.045 1.00 0.00 N ATOM 402 CA ASN A 27 6.035 -12.685 7.115 1.00 0.00 C ATOM 403 C ASN A 27 7.385 -12.144 6.836 1.00 0.00 C ATOM 404 O ASN A 27 7.648 -11.770 5.694 1.00 0.00 O ATOM 405 CB ASN A 27 6.150 -14.216 7.105 1.00 0.00 C ATOM 406 CG ASN A 27 4.862 -14.954 7.298 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.272 -15.330 6.223 1.00 0.00 O flip ATOM 408 ND2 ASN A 27 4.450 -15.250 8.425 1.00 0.00 N flip ATOM 0 H ASN A 27 5.643 -12.203 5.131 1.00 0.00 H new ATOM 0 HA ASN A 27 5.610 -12.403 8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.588 -14.525 6.156 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.844 -14.517 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.952 -14.928 9.252 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.608 -15.816 8.528 1.00 0.00 H new ATOM 415 N ALA A 28 8.248 -12.140 7.816 1.00 0.00 N ATOM 416 CA ALA A 28 9.589 -11.582 7.690 1.00 0.00 C ATOM 417 C ALA A 28 10.373 -12.212 6.546 1.00 0.00 C ATOM 418 O ALA A 28 11.084 -11.512 5.817 1.00 0.00 O ATOM 419 CB ALA A 28 10.351 -11.709 9.000 1.00 0.00 C ATOM 0 H ALA A 28 8.048 -12.526 8.739 1.00 0.00 H new ATOM 0 HA ALA A 28 9.474 -10.524 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.349 -11.286 8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.819 -11.171 9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.432 -12.761 9.273 1.00 0.00 H new ATOM 425 N LYS A 29 10.158 -13.496 6.321 1.00 0.00 N ATOM 426 CA LYS A 29 10.920 -14.226 5.308 1.00 0.00 C ATOM 427 C LYS A 29 10.517 -13.776 3.900 1.00 0.00 C ATOM 428 O LYS A 29 11.359 -13.539 3.000 1.00 0.00 O ATOM 429 CB LYS A 29 10.734 -15.745 5.487 1.00 0.00 C ATOM 430 CG LYS A 29 9.293 -16.231 5.344 1.00 0.00 C ATOM 431 CD LYS A 29 9.179 -17.725 5.543 1.00 0.00 C ATOM 432 CE LYS A 29 7.731 -18.175 5.446 1.00 0.00 C ATOM 433 NZ LYS A 29 7.584 -19.627 5.658 1.00 0.00 N ATOM 0 H LYS A 29 9.468 -14.057 6.820 1.00 0.00 H new ATOM 0 HA LYS A 29 11.978 -14.000 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.352 -16.262 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.103 -16.029 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.663 -15.719 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.917 -15.967 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.776 -18.243 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.585 -17.998 6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.135 -17.639 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.335 -17.911 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.580 -19.889 5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.131 -20.140 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.937 -19.877 6.604 1.00 0.00 H new ATOM 447 N ASN A 30 9.251 -13.573 3.729 1.00 0.00 N ATOM 448 CA ASN A 30 8.749 -13.201 2.452 1.00 0.00 C ATOM 449 C ASN A 30 8.708 -11.708 2.287 1.00 0.00 C ATOM 450 O ASN A 30 8.572 -11.211 1.202 1.00 0.00 O ATOM 451 CB ASN A 30 7.437 -13.921 2.099 1.00 0.00 C ATOM 452 CG ASN A 30 6.306 -13.824 3.116 1.00 0.00 C ATOM 453 OD1 ASN A 30 5.378 -12.923 2.913 1.00 0.00 O flip ATOM 454 ND2 ASN A 30 6.250 -14.604 4.057 1.00 0.00 N flip ATOM 0 H ASN A 30 8.546 -13.659 4.461 1.00 0.00 H new ATOM 0 HA ASN A 30 9.457 -13.555 1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.076 -13.524 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.661 -14.976 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.988 -15.296 4.191 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.466 -14.562 4.708 1.00 0.00 H new ATOM 461 N CYS A 31 8.865 -11.011 3.387 1.00 0.00 N ATOM 462 CA CYS A 31 8.995 -9.570 3.405 1.00 0.00 C ATOM 463 C CYS A 31 10.359 -9.181 2.886 1.00 0.00 C ATOM 464 O CYS A 31 10.465 -8.322 2.059 1.00 0.00 O ATOM 465 CB CYS A 31 8.818 -9.031 4.819 1.00 0.00 C ATOM 466 SG CYS A 31 9.062 -7.258 5.019 1.00 0.00 S ATOM 0 H CYS A 31 8.907 -11.436 4.313 1.00 0.00 H new ATOM 0 HA CYS A 31 8.220 -9.142 2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.813 -9.281 5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.516 -9.551 5.476 1.00 0.00 H new ATOM 0 HG CYS A 31 9.091 -6.964 6.285 1.00 0.00 H new ATOM 472 N ARG A 32 11.406 -9.838 3.385 1.00 0.00 N ATOM 473 CA ARG A 32 12.767 -9.545 2.939 1.00 0.00 C ATOM 474 C ARG A 32 12.930 -9.874 1.459 1.00 0.00 C ATOM 475 O ARG A 32 13.522 -9.091 0.694 1.00 0.00 O ATOM 476 CB ARG A 32 13.808 -10.267 3.809 1.00 0.00 C ATOM 477 CG ARG A 32 13.653 -11.770 3.858 1.00 0.00 C ATOM 478 CD ARG A 32 14.773 -12.483 3.124 1.00 0.00 C ATOM 479 NE ARG A 32 16.086 -12.239 3.738 1.00 0.00 N ATOM 480 CZ ARG A 32 17.247 -12.766 3.323 1.00 0.00 C ATOM 481 NH1 ARG A 32 17.272 -13.621 2.298 1.00 0.00 N ATOM 482 NH2 ARG A 32 18.376 -12.443 3.944 1.00 0.00 N ATOM 0 H ARG A 32 11.339 -10.570 4.092 1.00 0.00 H new ATOM 0 HA ARG A 32 12.944 -8.476 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.803 -10.030 3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.748 -9.875 4.824 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.634 -12.098 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.696 -12.050 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.573 -13.554 3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.793 -12.152 2.086 1.00 0.00 H new ATOM 0 HE ARG A 32 16.116 -11.618 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.405 -13.877 1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.158 -14.019 1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.357 -11.797 4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.262 -12.841 3.632 1.00 0.00 H new ATOM 496 N SER A 33 12.365 -11.006 1.047 1.00 0.00 N ATOM 497 CA SER A 33 12.382 -11.370 -0.353 1.00 0.00 C ATOM 498 C SER A 33 11.597 -10.336 -1.156 1.00 0.00 C ATOM 499 O SER A 33 12.055 -9.852 -2.202 1.00 0.00 O ATOM 500 CB SER A 33 11.791 -12.760 -0.544 1.00 0.00 C ATOM 501 OG SER A 33 11.851 -13.179 -1.898 1.00 0.00 O ATOM 0 H SER A 33 11.897 -11.674 1.659 1.00 0.00 H new ATOM 0 HA SER A 33 13.412 -11.388 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.330 -13.472 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.754 -12.763 -0.209 1.00 0.00 H new ATOM 0 HG SER A 33 11.464 -14.076 -1.980 1.00 0.00 H new ATOM 507 N LEU A 34 10.459 -9.935 -0.610 1.00 0.00 N ATOM 508 CA LEU A 34 9.578 -8.969 -1.260 1.00 0.00 C ATOM 509 C LEU A 34 10.309 -7.677 -1.440 1.00 0.00 C ATOM 510 O LEU A 34 10.242 -7.064 -2.450 1.00 0.00 O ATOM 511 CB LEU A 34 8.384 -8.657 -0.394 1.00 0.00 C ATOM 512 CG LEU A 34 7.255 -7.942 -1.112 1.00 0.00 C ATOM 513 CD1 LEU A 34 6.386 -8.906 -1.896 1.00 0.00 C ATOM 514 CD2 LEU A 34 6.460 -7.098 -0.169 1.00 0.00 C ATOM 0 H LEU A 34 10.119 -10.267 0.292 1.00 0.00 H new ATOM 0 HA LEU A 34 9.261 -9.401 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.000 -9.588 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.710 -8.043 0.445 1.00 0.00 H new ATOM 0 HG LEU A 34 7.703 -7.268 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.590 -8.354 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.993 -9.420 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.949 -9.638 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.659 -6.599 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.031 -7.728 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.110 -6.350 0.286 1.00 0.00 H new ATOM 526 N MET A 35 11.049 -7.347 -0.448 1.00 0.00 N ATOM 527 CA MET A 35 11.780 -6.112 -0.335 1.00 0.00 C ATOM 528 C MET A 35 12.857 -6.020 -1.388 1.00 0.00 C ATOM 529 O MET A 35 13.242 -4.945 -1.808 1.00 0.00 O ATOM 530 CB MET A 35 12.374 -6.087 1.038 1.00 0.00 C ATOM 531 CG MET A 35 12.954 -4.792 1.475 1.00 0.00 C ATOM 532 SD MET A 35 13.486 -4.877 3.186 1.00 0.00 S ATOM 533 CE MET A 35 11.960 -5.425 3.982 1.00 0.00 C ATOM 0 H MET A 35 11.177 -7.956 0.360 1.00 0.00 H new ATOM 0 HA MET A 35 11.120 -5.258 -0.490 1.00 0.00 H new ATOM 0 HB2 MET A 35 11.602 -6.375 1.751 1.00 0.00 H new ATOM 0 HB3 MET A 35 13.154 -6.847 1.088 1.00 0.00 H new ATOM 0 HG2 MET A 35 13.801 -4.534 0.839 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.215 -3.999 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 35 12.015 -5.224 5.052 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.114 -4.887 3.555 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.829 -6.495 3.820 1.00 0.00 H new ATOM 543 N HIS A 36 13.368 -7.155 -1.780 1.00 0.00 N ATOM 544 CA HIS A 36 14.365 -7.192 -2.818 1.00 0.00 C ATOM 545 C HIS A 36 13.743 -7.365 -4.196 1.00 0.00 C ATOM 546 O HIS A 36 14.413 -7.174 -5.208 1.00 0.00 O ATOM 547 CB HIS A 36 15.401 -8.272 -2.551 1.00 0.00 C ATOM 548 CG HIS A 36 16.378 -7.932 -1.458 1.00 0.00 C ATOM 549 ND1 HIS A 36 17.732 -8.122 -1.575 1.00 0.00 N ATOM 550 CD2 HIS A 36 16.183 -7.423 -0.215 1.00 0.00 C ATOM 551 CE1 HIS A 36 18.325 -7.748 -0.466 1.00 0.00 C ATOM 552 NE2 HIS A 36 17.409 -7.317 0.378 1.00 0.00 N ATOM 0 H HIS A 36 13.112 -8.066 -1.398 1.00 0.00 H new ATOM 0 HA HIS A 36 14.872 -6.227 -2.807 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.887 -9.196 -2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.954 -8.465 -3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.234 -7.152 0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.387 -7.787 -0.276 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.586 -6.963 1.318 1.00 0.00 H new ATOM 561 N HIS A 37 12.471 -7.722 -4.238 1.00 0.00 N ATOM 562 CA HIS A 37 11.774 -7.916 -5.515 1.00 0.00 C ATOM 563 C HIS A 37 10.851 -6.759 -5.840 1.00 0.00 C ATOM 564 O HIS A 37 10.468 -6.562 -6.991 1.00 0.00 O ATOM 565 CB HIS A 37 10.960 -9.214 -5.522 1.00 0.00 C ATOM 566 CG HIS A 37 11.753 -10.474 -5.711 1.00 0.00 C ATOM 567 ND1 HIS A 37 12.444 -11.233 -4.835 1.00 0.00 N flip ATOM 568 CD2 HIS A 37 11.856 -11.118 -6.922 1.00 0.00 C flip ATOM 569 CE1 HIS A 37 12.939 -12.301 -5.525 1.00 0.00 C flip ATOM 570 NE2 HIS A 37 12.572 -12.212 -6.780 1.00 0.00 N flip ATOM 0 H HIS A 37 11.895 -7.885 -3.412 1.00 0.00 H new ATOM 0 HA HIS A 37 12.552 -7.973 -6.276 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.416 -9.286 -4.580 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.216 -9.151 -6.316 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.572 -11.043 -3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.416 -10.777 -7.848 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.539 -13.094 -5.104 1.00 0.00 H new ATOM 579 N VAL A 38 10.497 -6.014 -4.839 1.00 0.00 N ATOM 580 CA VAL A 38 9.527 -4.953 -4.951 1.00 0.00 C ATOM 581 C VAL A 38 10.135 -3.660 -4.445 1.00 0.00 C ATOM 582 O VAL A 38 10.930 -3.663 -3.518 1.00 0.00 O ATOM 583 CB VAL A 38 8.232 -5.275 -4.115 1.00 0.00 C ATOM 584 CG1 VAL A 38 7.174 -4.216 -4.278 1.00 0.00 C ATOM 585 CG2 VAL A 38 7.652 -6.620 -4.485 1.00 0.00 C ATOM 0 H VAL A 38 10.878 -6.123 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 38 9.247 -4.856 -6.000 1.00 0.00 H new ATOM 0 HB VAL A 38 8.544 -5.296 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.300 -4.481 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.565 -3.256 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.890 -4.144 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.760 -6.808 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.388 -6.624 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.389 -7.400 -4.292 1.00 0.00 H new ATOM 595 N LYS A 39 9.759 -2.572 -5.066 1.00 0.00 N ATOM 596 CA LYS A 39 10.219 -1.270 -4.684 1.00 0.00 C ATOM 597 C LYS A 39 9.515 -0.846 -3.393 1.00 0.00 C ATOM 598 O LYS A 39 10.106 -0.846 -2.336 1.00 0.00 O ATOM 599 CB LYS A 39 9.923 -0.303 -5.815 1.00 0.00 C ATOM 600 CG LYS A 39 10.286 1.144 -5.586 1.00 0.00 C ATOM 601 CD LYS A 39 9.829 1.948 -6.780 1.00 0.00 C ATOM 602 CE LYS A 39 9.882 3.429 -6.537 1.00 0.00 C ATOM 603 NZ LYS A 39 11.260 3.952 -6.377 1.00 0.00 N ATOM 0 H LYS A 39 9.118 -2.569 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 39 11.293 -1.276 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.450 -0.649 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.857 -0.355 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.812 1.514 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.362 1.247 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.454 1.702 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.809 1.662 -7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.401 3.943 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.306 3.663 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.304 4.563 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.922 3.158 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.522 4.503 -7.219 1.00 0.00 H new ATOM 617 N ASN A 40 8.252 -0.530 -3.486 1.00 0.00 N ATOM 618 CA ASN A 40 7.478 -0.140 -2.350 1.00 0.00 C ATOM 619 C ASN A 40 6.025 -0.450 -2.691 1.00 0.00 C ATOM 620 O ASN A 40 5.787 -1.207 -3.650 1.00 0.00 O ATOM 621 CB ASN A 40 7.743 1.371 -2.016 1.00 0.00 C ATOM 622 CG ASN A 40 7.040 1.866 -0.741 1.00 0.00 C ATOM 623 OD1 ASN A 40 5.955 2.381 -0.793 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.632 1.668 0.391 1.00 0.00 N ATOM 0 H ASN A 40 7.731 -0.538 -4.363 1.00 0.00 H new ATOM 0 HA ASN A 40 7.750 -0.685 -1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.817 1.525 -1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.416 1.981 -2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.178 1.950 1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.553 1.230 0.415 1.00 0.00 H new ATOM 631 N ILE A 41 5.100 0.129 -1.953 1.00 0.00 N ATOM 632 CA ILE A 41 3.664 -0.037 -2.060 1.00 0.00 C ATOM 633 C ILE A 41 3.210 -0.053 -3.516 1.00 0.00 C ATOM 634 O ILE A 41 2.458 -0.930 -3.907 1.00 0.00 O ATOM 635 CB ILE A 41 2.993 1.160 -1.374 1.00 0.00 C ATOM 636 CG1 ILE A 41 3.346 1.202 0.114 1.00 0.00 C ATOM 637 CG2 ILE A 41 1.467 1.153 -1.571 1.00 0.00 C ATOM 638 CD1 ILE A 41 2.888 2.465 0.801 1.00 0.00 C ATOM 0 H ILE A 41 5.351 0.777 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 41 3.390 -0.984 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 41 3.379 2.063 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.896 0.343 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.426 1.106 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.031 2.017 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.237 1.197 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.050 0.239 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.170 2.430 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.358 3.327 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.805 2.552 0.719 1.00 0.00 H new ATOM 650 N ALA A 42 3.703 0.917 -4.314 1.00 0.00 N ATOM 651 CA ALA A 42 3.319 1.018 -5.731 1.00 0.00 C ATOM 652 C ALA A 42 3.543 -0.281 -6.498 1.00 0.00 C ATOM 653 O ALA A 42 2.620 -0.808 -7.090 1.00 0.00 O ATOM 654 CB ALA A 42 4.033 2.164 -6.408 1.00 0.00 C ATOM 0 H ALA A 42 4.360 1.632 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 42 2.247 1.215 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.730 2.215 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.775 3.099 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.110 2.007 -6.350 1.00 0.00 H new ATOM 660 N GLU A 43 4.744 -0.816 -6.428 1.00 0.00 N ATOM 661 CA GLU A 43 5.081 -2.030 -7.153 1.00 0.00 C ATOM 662 C GLU A 43 4.417 -3.226 -6.533 1.00 0.00 C ATOM 663 O GLU A 43 4.044 -4.140 -7.227 1.00 0.00 O ATOM 664 CB GLU A 43 6.582 -2.234 -7.198 1.00 0.00 C ATOM 665 CG GLU A 43 7.338 -1.120 -7.886 1.00 0.00 C ATOM 666 CD GLU A 43 6.915 -0.928 -9.303 1.00 0.00 C ATOM 667 OE1 GLU A 43 7.060 -1.866 -10.110 1.00 0.00 O ATOM 668 OE2 GLU A 43 6.412 0.156 -9.632 1.00 0.00 O ATOM 0 H GLU A 43 5.509 -0.429 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 43 4.715 -1.919 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.954 -2.335 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.795 -3.173 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.187 -0.191 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.406 -1.338 -7.856 1.00 0.00 H new ATOM 675 N LEU A 44 4.258 -3.201 -5.224 1.00 0.00 N ATOM 676 CA LEU A 44 3.601 -4.284 -4.515 1.00 0.00 C ATOM 677 C LEU A 44 2.167 -4.405 -4.963 1.00 0.00 C ATOM 678 O LEU A 44 1.682 -5.492 -5.263 1.00 0.00 O ATOM 679 CB LEU A 44 3.656 -4.042 -3.002 1.00 0.00 C ATOM 680 CG LEU A 44 2.905 -5.047 -2.135 1.00 0.00 C ATOM 681 CD1 LEU A 44 3.362 -6.466 -2.432 1.00 0.00 C ATOM 682 CD2 LEU A 44 3.122 -4.726 -0.682 1.00 0.00 C ATOM 0 H LEU A 44 4.577 -2.438 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 44 4.123 -5.213 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.701 -4.036 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.258 -3.048 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 44 1.842 -4.978 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.812 -7.165 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.173 -6.697 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.429 -6.555 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.584 -5.446 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.187 -4.777 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.753 -3.722 -0.472 1.00 0.00 H new ATOM 694 N ALA A 45 1.523 -3.279 -5.065 1.00 0.00 N ATOM 695 CA ALA A 45 0.163 -3.225 -5.441 1.00 0.00 C ATOM 696 C ALA A 45 -0.002 -3.404 -6.932 1.00 0.00 C ATOM 697 O ALA A 45 -1.098 -3.700 -7.420 1.00 0.00 O ATOM 698 CB ALA A 45 -0.446 -1.933 -4.966 1.00 0.00 C ATOM 0 H ALA A 45 1.944 -2.367 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.366 -4.050 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.495 -1.896 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.370 -1.872 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.085 -1.094 -5.415 1.00 0.00 H new ATOM 704 N ALA A 46 1.093 -3.242 -7.644 1.00 0.00 N ATOM 705 CA ALA A 46 1.098 -3.362 -9.075 1.00 0.00 C ATOM 706 C ALA A 46 1.416 -4.773 -9.509 1.00 0.00 C ATOM 707 O ALA A 46 1.236 -5.117 -10.682 1.00 0.00 O ATOM 708 CB ALA A 46 2.083 -2.392 -9.691 1.00 0.00 C ATOM 0 H ALA A 46 2.004 -3.023 -7.240 1.00 0.00 H new ATOM 0 HA ALA A 46 0.096 -3.117 -9.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.070 -2.500 -10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.805 -1.372 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.085 -2.604 -9.317 1.00 0.00 H new ATOM 714 N LEU A 47 1.938 -5.575 -8.604 1.00 0.00 N ATOM 715 CA LEU A 47 2.230 -6.944 -8.930 1.00 0.00 C ATOM 716 C LEU A 47 0.985 -7.824 -8.959 1.00 0.00 C ATOM 717 O LEU A 47 -0.066 -7.487 -8.394 1.00 0.00 O ATOM 718 CB LEU A 47 3.254 -7.557 -7.991 1.00 0.00 C ATOM 719 CG LEU A 47 4.661 -7.000 -8.060 1.00 0.00 C ATOM 720 CD1 LEU A 47 5.538 -7.730 -7.074 1.00 0.00 C ATOM 721 CD2 LEU A 47 5.236 -7.115 -9.466 1.00 0.00 C ATOM 0 H LEU A 47 2.165 -5.301 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 47 2.650 -6.910 -9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.892 -7.440 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.302 -8.627 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 47 4.627 -5.941 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.551 -7.330 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.143 -7.596 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.555 -8.792 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.246 -6.706 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.264 -8.163 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.609 -6.558 -10.162 1.00 0.00 H new ATOM 733 N SER A 48 1.116 -8.950 -9.618 1.00 0.00 N ATOM 734 CA SER A 48 0.070 -9.934 -9.688 1.00 0.00 C ATOM 735 C SER A 48 0.249 -10.937 -8.536 1.00 0.00 C ATOM 736 O SER A 48 1.329 -11.004 -7.922 1.00 0.00 O ATOM 737 CB SER A 48 0.154 -10.650 -11.035 1.00 0.00 C ATOM 738 OG SER A 48 0.143 -9.712 -12.104 1.00 0.00 O ATOM 0 H SER A 48 1.962 -9.209 -10.125 1.00 0.00 H new ATOM 0 HA SER A 48 -0.907 -9.460 -9.597 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.064 -11.248 -11.079 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.685 -11.338 -11.140 1.00 0.00 H new ATOM 0 HG SER A 48 0.199 -10.189 -12.958 1.00 0.00 H new ATOM 744 N GLN A 49 -0.779 -11.730 -8.268 1.00 0.00 N ATOM 745 CA GLN A 49 -0.745 -12.719 -7.203 1.00 0.00 C ATOM 746 C GLN A 49 0.289 -13.794 -7.534 1.00 0.00 C ATOM 747 O GLN A 49 0.930 -14.354 -6.647 1.00 0.00 O ATOM 748 CB GLN A 49 -2.126 -13.342 -7.018 1.00 0.00 C ATOM 749 CG GLN A 49 -2.209 -14.314 -5.864 1.00 0.00 C ATOM 750 CD GLN A 49 -3.571 -14.952 -5.732 1.00 0.00 C ATOM 751 OE1 GLN A 49 -4.591 -14.350 -6.044 1.00 0.00 O ATOM 752 NE2 GLN A 49 -3.597 -16.186 -5.305 1.00 0.00 N ATOM 0 H GLN A 49 -1.659 -11.705 -8.783 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.462 -12.233 -6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.855 -12.547 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.407 -13.858 -7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.459 -15.094 -5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.966 -13.793 -4.938 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.728 -16.657 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.486 -16.679 -5.223 1.00 0.00 H new ATOM 761 N ASP A 50 0.452 -14.045 -8.822 1.00 0.00 N ATOM 762 CA ASP A 50 1.444 -14.994 -9.347 1.00 0.00 C ATOM 763 C ASP A 50 2.833 -14.609 -8.887 1.00 0.00 C ATOM 764 O ASP A 50 3.582 -15.432 -8.361 1.00 0.00 O ATOM 765 CB ASP A 50 1.416 -14.987 -10.873 1.00 0.00 C ATOM 766 CG ASP A 50 0.105 -15.444 -11.441 1.00 0.00 C ATOM 767 OD1 ASP A 50 -0.863 -14.646 -11.452 1.00 0.00 O ATOM 768 OD2 ASP A 50 -0.005 -16.618 -11.850 1.00 0.00 O ATOM 0 H ASP A 50 -0.103 -13.594 -9.549 1.00 0.00 H new ATOM 0 HA ASP A 50 1.197 -15.988 -8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.628 -13.979 -11.229 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.211 -15.631 -11.248 1.00 0.00 H new ATOM 773 N GLU A 51 3.126 -13.324 -9.013 1.00 0.00 N ATOM 774 CA GLU A 51 4.410 -12.759 -8.654 1.00 0.00 C ATOM 775 C GLU A 51 4.622 -12.934 -7.166 1.00 0.00 C ATOM 776 O GLU A 51 5.694 -13.330 -6.716 1.00 0.00 O ATOM 777 CB GLU A 51 4.427 -11.270 -9.002 1.00 0.00 C ATOM 778 CG GLU A 51 4.023 -10.960 -10.440 1.00 0.00 C ATOM 779 CD GLU A 51 4.959 -11.545 -11.464 1.00 0.00 C ATOM 780 OE1 GLU A 51 4.791 -12.718 -11.857 1.00 0.00 O ATOM 781 OE2 GLU A 51 5.863 -10.830 -11.919 1.00 0.00 O ATOM 0 H GLU A 51 2.465 -12.636 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 51 5.205 -13.264 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.754 -10.742 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.429 -10.878 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.018 -11.342 -10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.981 -9.879 -10.573 1.00 0.00 H new ATOM 788 N LEU A 52 3.568 -12.689 -6.409 1.00 0.00 N ATOM 789 CA LEU A 52 3.612 -12.827 -4.974 1.00 0.00 C ATOM 790 C LEU A 52 3.819 -14.286 -4.579 1.00 0.00 C ATOM 791 O LEU A 52 4.521 -14.569 -3.645 1.00 0.00 O ATOM 792 CB LEU A 52 2.336 -12.281 -4.324 1.00 0.00 C ATOM 793 CG LEU A 52 1.998 -10.817 -4.603 1.00 0.00 C ATOM 794 CD1 LEU A 52 0.732 -10.417 -3.872 1.00 0.00 C ATOM 795 CD2 LEU A 52 3.153 -9.899 -4.228 1.00 0.00 C ATOM 0 H LEU A 52 2.664 -12.390 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 52 4.457 -12.241 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.497 -12.893 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.421 -12.411 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 52 1.828 -10.710 -5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.506 -9.372 -4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.095 -11.042 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.874 -10.550 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.879 -8.865 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.373 -10.006 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.035 -10.167 -4.810 1.00 0.00 H new ATOM 807 N THR A 53 3.240 -15.207 -5.324 1.00 0.00 N ATOM 808 CA THR A 53 3.394 -16.625 -5.014 1.00 0.00 C ATOM 809 C THR A 53 4.847 -17.039 -5.238 1.00 0.00 C ATOM 810 O THR A 53 5.378 -17.872 -4.524 1.00 0.00 O ATOM 811 CB THR A 53 2.477 -17.509 -5.883 1.00 0.00 C ATOM 812 OG1 THR A 53 1.148 -16.954 -5.906 1.00 0.00 O ATOM 813 CG2 THR A 53 2.397 -18.919 -5.300 1.00 0.00 C ATOM 0 H THR A 53 2.663 -15.008 -6.141 1.00 0.00 H new ATOM 0 HA THR A 53 3.110 -16.769 -3.971 1.00 0.00 H new ATOM 0 HB THR A 53 2.890 -17.548 -6.891 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.169 -16.072 -6.334 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.747 -19.534 -5.922 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.394 -19.358 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.993 -18.872 -4.289 1.00 0.00 H new ATOM 821 N SER A 54 5.484 -16.406 -6.195 1.00 0.00 N ATOM 822 CA SER A 54 6.851 -16.696 -6.502 1.00 0.00 C ATOM 823 C SER A 54 7.754 -16.132 -5.391 1.00 0.00 C ATOM 824 O SER A 54 8.581 -16.849 -4.825 1.00 0.00 O ATOM 825 CB SER A 54 7.209 -16.108 -7.875 1.00 0.00 C ATOM 826 OG SER A 54 8.508 -16.492 -8.286 1.00 0.00 O ATOM 0 H SER A 54 5.065 -15.680 -6.776 1.00 0.00 H new ATOM 0 HA SER A 54 7.004 -17.774 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.480 -16.440 -8.614 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.147 -15.021 -7.833 1.00 0.00 H new ATOM 0 HG SER A 54 8.702 -16.102 -9.164 1.00 0.00 H new ATOM 832 N ILE A 55 7.538 -14.871 -5.052 1.00 0.00 N ATOM 833 CA ILE A 55 8.323 -14.189 -4.033 1.00 0.00 C ATOM 834 C ILE A 55 8.120 -14.824 -2.658 1.00 0.00 C ATOM 835 O ILE A 55 9.075 -15.278 -2.018 1.00 0.00 O ATOM 836 CB ILE A 55 7.923 -12.693 -3.947 1.00 0.00 C ATOM 837 CG1 ILE A 55 8.209 -11.985 -5.277 1.00 0.00 C ATOM 838 CG2 ILE A 55 8.658 -12.000 -2.797 1.00 0.00 C ATOM 839 CD1 ILE A 55 7.615 -10.593 -5.377 1.00 0.00 C ATOM 0 H ILE A 55 6.814 -14.291 -5.475 1.00 0.00 H new ATOM 0 HA ILE A 55 9.370 -14.280 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 55 6.853 -12.635 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.288 -11.919 -5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.819 -12.594 -6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.362 -10.952 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.402 -12.487 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.734 -12.067 -2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.862 -10.161 -6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.532 -10.651 -5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.024 -9.965 -4.585 1.00 0.00 H new ATOM 851 N LEU A 56 6.874 -14.887 -2.236 1.00 0.00 N ATOM 852 CA LEU A 56 6.536 -15.326 -0.898 1.00 0.00 C ATOM 853 C LEU A 56 6.693 -16.832 -0.792 1.00 0.00 C ATOM 854 O LEU A 56 7.108 -17.355 0.236 1.00 0.00 O ATOM 855 CB LEU A 56 5.092 -14.913 -0.520 1.00 0.00 C ATOM 856 CG LEU A 56 4.618 -13.494 -0.943 1.00 0.00 C ATOM 857 CD1 LEU A 56 3.260 -13.198 -0.380 1.00 0.00 C ATOM 858 CD2 LEU A 56 5.590 -12.400 -0.562 1.00 0.00 C ATOM 0 H LEU A 56 6.069 -14.636 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 56 7.218 -14.842 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.408 -15.640 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.992 -14.993 0.562 1.00 0.00 H new ATOM 0 HG LEU A 56 4.567 -13.504 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.948 -12.200 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.545 -13.933 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.299 -13.246 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.198 -11.436 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.723 -12.392 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.550 -12.582 -1.044 1.00 0.00 H new ATOM 870 N GLY A 57 6.363 -17.507 -1.869 1.00 0.00 N ATOM 871 CA GLY A 57 6.496 -18.943 -1.942 1.00 0.00 C ATOM 872 C GLY A 57 5.286 -19.670 -1.424 1.00 0.00 C ATOM 873 O GLY A 57 5.270 -20.902 -1.347 1.00 0.00 O ATOM 0 H GLY A 57 5.995 -17.077 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.673 -19.234 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.371 -19.251 -1.370 1.00 0.00 H new ATOM 877 N ASN A 58 4.264 -18.929 -1.068 1.00 0.00 N ATOM 878 CA ASN A 58 3.052 -19.536 -0.573 1.00 0.00 C ATOM 879 C ASN A 58 1.918 -18.865 -1.257 1.00 0.00 C ATOM 880 O ASN A 58 1.850 -17.622 -1.262 1.00 0.00 O ATOM 881 CB ASN A 58 2.840 -19.350 0.954 1.00 0.00 C ATOM 882 CG ASN A 58 4.099 -19.176 1.755 1.00 0.00 C ATOM 883 OD1 ASN A 58 4.729 -20.133 2.196 1.00 0.00 O ATOM 884 ND2 ASN A 58 4.424 -17.946 1.995 1.00 0.00 N ATOM 0 H ASN A 58 4.247 -17.910 -1.111 1.00 0.00 H new ATOM 0 HA ASN A 58 3.117 -20.607 -0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.203 -18.480 1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.300 -20.215 1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.237 -17.737 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.867 -17.186 1.605 1.00 0.00 H new ATOM 891 N ALA A 59 1.017 -19.641 -1.804 1.00 0.00 N ATOM 892 CA ALA A 59 -0.156 -19.095 -2.465 1.00 0.00 C ATOM 893 C ALA A 59 -1.076 -18.481 -1.438 1.00 0.00 C ATOM 894 O ALA A 59 -1.837 -17.590 -1.745 1.00 0.00 O ATOM 895 CB ALA A 59 -0.896 -20.159 -3.245 1.00 0.00 C ATOM 0 H ALA A 59 1.068 -20.660 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 59 0.175 -18.331 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.768 -19.717 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.236 -20.579 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.218 -20.949 -2.567 1.00 0.00 H new ATOM 901 N ALA A 60 -0.943 -18.938 -0.199 1.00 0.00 N ATOM 902 CA ALA A 60 -1.741 -18.450 0.902 1.00 0.00 C ATOM 903 C ALA A 60 -1.426 -17.005 1.122 1.00 0.00 C ATOM 904 O ALA A 60 -2.293 -16.161 1.114 1.00 0.00 O ATOM 905 CB ALA A 60 -1.407 -19.219 2.162 1.00 0.00 C ATOM 0 H ALA A 60 -0.273 -19.661 0.064 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.798 -18.579 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.013 -18.845 2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.616 -20.278 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.351 -19.089 2.399 1.00 0.00 H new ATOM 911 N ASN A 61 -0.151 -16.734 1.257 1.00 0.00 N ATOM 912 CA ASN A 61 0.340 -15.396 1.510 1.00 0.00 C ATOM 913 C ASN A 61 0.053 -14.503 0.328 1.00 0.00 C ATOM 914 O ASN A 61 -0.380 -13.375 0.487 1.00 0.00 O ATOM 915 CB ASN A 61 1.840 -15.421 1.777 1.00 0.00 C ATOM 916 CG ASN A 61 2.260 -15.927 3.145 1.00 0.00 C ATOM 917 OD1 ASN A 61 1.494 -16.796 3.747 1.00 0.00 O flip ATOM 918 ND2 ASN A 61 3.294 -15.538 3.638 1.00 0.00 N flip ATOM 0 H ASN A 61 0.583 -17.439 1.194 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.171 -15.004 2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.314 -16.044 1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.229 -14.411 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.871 -14.858 3.143 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.589 -15.890 4.549 1.00 0.00 H new ATOM 925 N ALA A 62 0.253 -15.054 -0.855 1.00 0.00 N ATOM 926 CA ALA A 62 0.056 -14.335 -2.096 1.00 0.00 C ATOM 927 C ALA A 62 -1.392 -13.944 -2.275 1.00 0.00 C ATOM 928 O ALA A 62 -1.690 -12.831 -2.691 1.00 0.00 O ATOM 929 CB ALA A 62 0.504 -15.195 -3.253 1.00 0.00 C ATOM 0 H ALA A 62 0.559 -16.019 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 62 0.651 -13.422 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.356 -14.654 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.560 -15.438 -3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.080 -16.115 -3.270 1.00 0.00 H new ATOM 935 N LYS A 63 -2.289 -14.844 -1.916 1.00 0.00 N ATOM 936 CA LYS A 63 -3.687 -14.612 -2.077 1.00 0.00 C ATOM 937 C LYS A 63 -4.159 -13.624 -1.051 1.00 0.00 C ATOM 938 O LYS A 63 -4.889 -12.712 -1.382 1.00 0.00 O ATOM 939 CB LYS A 63 -4.475 -15.927 -2.011 1.00 0.00 C ATOM 940 CG LYS A 63 -5.984 -15.763 -2.090 1.00 0.00 C ATOM 941 CD LYS A 63 -6.685 -17.103 -2.036 1.00 0.00 C ATOM 942 CE LYS A 63 -8.191 -16.945 -2.034 1.00 0.00 C ATOM 943 NZ LYS A 63 -8.670 -16.211 -0.844 1.00 0.00 N ATOM 0 H LYS A 63 -2.056 -15.749 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.866 -14.187 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.149 -16.572 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.226 -16.439 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.328 -15.137 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.248 -15.249 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.383 -17.707 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.374 -17.641 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.501 -16.416 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.659 -17.929 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.694 -16.355 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.180 -16.564 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.474 -15.196 -0.960 1.00 0.00 H new ATOM 957 N GLN A 64 -3.687 -13.780 0.186 1.00 0.00 N ATOM 958 CA GLN A 64 -4.044 -12.872 1.269 1.00 0.00 C ATOM 959 C GLN A 64 -3.650 -11.453 0.938 1.00 0.00 C ATOM 960 O GLN A 64 -4.448 -10.515 1.101 1.00 0.00 O ATOM 961 CB GLN A 64 -3.383 -13.277 2.578 1.00 0.00 C ATOM 962 CG GLN A 64 -3.844 -14.594 3.128 1.00 0.00 C ATOM 963 CD GLN A 64 -3.278 -14.845 4.503 1.00 0.00 C ATOM 964 OE1 GLN A 64 -3.872 -14.486 5.510 1.00 0.00 O ATOM 965 NE2 GLN A 64 -2.115 -15.432 4.553 1.00 0.00 N ATOM 0 H GLN A 64 -3.054 -14.531 0.461 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.126 -12.931 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.304 -13.318 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.572 -12.502 3.321 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.933 -14.610 3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.541 -15.397 2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.650 -15.717 3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.670 -15.606 5.454 1.00 0.00 H new ATOM 974 N LEU A 65 -2.448 -11.310 0.440 1.00 0.00 N ATOM 975 CA LEU A 65 -1.906 -10.029 0.131 1.00 0.00 C ATOM 976 C LEU A 65 -2.574 -9.429 -1.105 1.00 0.00 C ATOM 977 O LEU A 65 -3.060 -8.303 -1.049 1.00 0.00 O ATOM 978 CB LEU A 65 -0.386 -10.127 -0.013 1.00 0.00 C ATOM 979 CG LEU A 65 0.381 -8.818 -0.173 1.00 0.00 C ATOM 980 CD1 LEU A 65 0.046 -7.858 0.962 1.00 0.00 C ATOM 981 CD2 LEU A 65 1.875 -9.100 -0.195 1.00 0.00 C ATOM 0 H LEU A 65 -1.821 -12.089 0.240 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.117 -9.345 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.005 -10.643 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.167 -10.755 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 65 0.088 -8.352 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.603 -6.930 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.023 -7.644 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.318 -8.312 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.420 -8.163 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.169 -9.579 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.108 -9.760 -1.030 1.00 0.00 H new ATOM 993 N TYR A 66 -2.661 -10.200 -2.200 1.00 0.00 N ATOM 994 CA TYR A 66 -3.285 -9.712 -3.442 1.00 0.00 C ATOM 995 C TYR A 66 -4.731 -9.286 -3.185 1.00 0.00 C ATOM 996 O TYR A 66 -5.185 -8.229 -3.667 1.00 0.00 O ATOM 997 CB TYR A 66 -3.217 -10.788 -4.540 1.00 0.00 C ATOM 998 CG TYR A 66 -3.821 -10.392 -5.877 1.00 0.00 C ATOM 999 CD1 TYR A 66 -3.103 -9.627 -6.785 1.00 0.00 C ATOM 1000 CD2 TYR A 66 -5.108 -10.792 -6.229 1.00 0.00 C ATOM 1001 CE1 TYR A 66 -3.648 -9.270 -8.004 1.00 0.00 C ATOM 1002 CE2 TYR A 66 -5.657 -10.439 -7.444 1.00 0.00 C ATOM 1003 CZ TYR A 66 -4.923 -9.677 -8.328 1.00 0.00 C ATOM 1004 OH TYR A 66 -5.475 -9.311 -9.540 1.00 0.00 O ATOM 0 H TYR A 66 -2.311 -11.156 -2.252 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.731 -8.839 -3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.173 -11.057 -4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.726 -11.682 -4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.103 -9.305 -6.535 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.686 -11.389 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.076 -8.674 -8.700 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -6.656 -10.758 -7.701 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.380 -9.681 -9.612 1.00 0.00 H new ATOM 1014 N ASP A 67 -5.423 -10.089 -2.407 1.00 0.00 N ATOM 1015 CA ASP A 67 -6.796 -9.824 -2.008 1.00 0.00 C ATOM 1016 C ASP A 67 -6.881 -8.501 -1.270 1.00 0.00 C ATOM 1017 O ASP A 67 -7.656 -7.621 -1.650 1.00 0.00 O ATOM 1018 CB ASP A 67 -7.294 -10.959 -1.116 1.00 0.00 C ATOM 1019 CG ASP A 67 -8.655 -10.729 -0.523 1.00 0.00 C ATOM 1020 OD1 ASP A 67 -9.664 -11.030 -1.186 1.00 0.00 O ATOM 1021 OD2 ASP A 67 -8.734 -10.304 0.640 1.00 0.00 O ATOM 0 H ASP A 67 -5.047 -10.957 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.424 -9.764 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.315 -11.880 -1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.579 -11.110 -0.307 1.00 0.00 H new ATOM 1026 N PHE A 68 -6.016 -8.335 -0.282 1.00 0.00 N ATOM 1027 CA PHE A 68 -5.994 -7.148 0.559 1.00 0.00 C ATOM 1028 C PHE A 68 -5.649 -5.889 -0.239 1.00 0.00 C ATOM 1029 O PHE A 68 -6.168 -4.829 0.029 1.00 0.00 O ATOM 1030 CB PHE A 68 -4.998 -7.346 1.701 1.00 0.00 C ATOM 1031 CG PHE A 68 -4.914 -6.200 2.670 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -5.969 -5.925 3.525 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -3.785 -5.397 2.724 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -5.898 -4.876 4.418 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -3.709 -4.348 3.616 1.00 0.00 C ATOM 1036 CZ PHE A 68 -4.769 -4.086 4.463 1.00 0.00 C ATOM 0 H PHE A 68 -5.305 -9.024 -0.039 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.994 -7.006 0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.270 -8.248 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.009 -7.517 1.276 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.857 -6.539 3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.956 -5.595 2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.726 -4.674 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.822 -3.732 3.653 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.713 -3.263 5.160 1.00 0.00 H new ATOM 1046 N ILE A 69 -4.779 -6.030 -1.216 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.354 -4.916 -2.067 1.00 0.00 C ATOM 1048 C ILE A 69 -5.492 -4.400 -2.962 1.00 0.00 C ATOM 1049 O ILE A 69 -5.619 -3.179 -3.217 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.171 -5.346 -2.980 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -1.942 -5.680 -2.141 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -2.844 -4.263 -3.982 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -0.815 -6.299 -2.934 1.00 0.00 C ATOM 0 H ILE A 69 -4.339 -6.920 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.046 -4.115 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.473 -6.239 -3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.581 -4.769 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.232 -6.364 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.013 -4.587 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.716 -4.069 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.566 -3.351 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.024 -6.509 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.158 -7.228 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.497 -5.608 -3.714 1.00 0.00 H new ATOM 1065 N HIS A 70 -6.308 -5.303 -3.445 1.00 0.00 N ATOM 1066 CA HIS A 70 -7.308 -4.917 -4.433 1.00 0.00 C ATOM 1067 C HIS A 70 -8.720 -4.742 -3.863 1.00 0.00 C ATOM 1068 O HIS A 70 -9.560 -4.121 -4.504 1.00 0.00 O ATOM 1069 CB HIS A 70 -7.265 -5.850 -5.667 1.00 0.00 C ATOM 1070 CG HIS A 70 -5.918 -5.822 -6.371 1.00 0.00 C ATOM 1071 ND1 HIS A 70 -4.779 -6.519 -6.129 1.00 0.00 N flip ATOM 1072 CD2 HIS A 70 -5.601 -4.950 -7.387 1.00 0.00 C flip ATOM 1073 CE1 HIS A 70 -3.817 -6.045 -6.979 1.00 0.00 C flip ATOM 1074 NE2 HIS A 70 -4.332 -5.104 -7.719 1.00 0.00 N flip ATOM 0 H HIS A 70 -6.309 -6.289 -3.184 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.033 -3.917 -4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.487 -6.870 -5.355 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.045 -5.555 -6.369 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.661 -7.261 -5.439 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.284 -4.248 -7.842 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.796 -6.394 -7.029 1.00 0.00 H new ATOM 1083 N THR A 71 -8.951 -5.245 -2.661 1.00 0.00 N ATOM 1084 CA THR A 71 -10.236 -5.134 -1.983 1.00 0.00 C ATOM 1085 C THR A 71 -10.548 -3.695 -1.576 1.00 0.00 C ATOM 1086 O THR A 71 -9.869 -3.127 -0.753 1.00 0.00 O ATOM 1087 CB THR A 71 -10.268 -6.032 -0.725 1.00 0.00 C ATOM 1088 OG1 THR A 71 -10.261 -7.417 -1.101 1.00 0.00 O ATOM 1089 CG2 THR A 71 -11.475 -5.743 0.156 1.00 0.00 C ATOM 0 H THR A 71 -8.246 -5.747 -2.122 1.00 0.00 H new ATOM 0 HA THR A 71 -10.995 -5.463 -2.693 1.00 0.00 H new ATOM 0 HB THR A 71 -9.373 -5.805 -0.146 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.369 -7.664 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.455 -6.398 1.027 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.446 -4.703 0.483 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.389 -5.920 -0.410 1.00 0.00 H new ATOM 1097 N SER A 72 -11.582 -3.161 -2.156 1.00 0.00 N ATOM 1098 CA SER A 72 -12.076 -1.820 -1.855 1.00 0.00 C ATOM 1099 C SER A 72 -12.399 -1.714 -0.339 1.00 0.00 C ATOM 1100 O SER A 72 -12.787 -2.724 0.296 1.00 0.00 O ATOM 1101 CB SER A 72 -13.375 -1.597 -2.631 1.00 0.00 C ATOM 1102 OG SER A 72 -13.270 -2.050 -3.982 1.00 0.00 O ATOM 0 H SER A 72 -12.128 -3.644 -2.869 1.00 0.00 H new ATOM 0 HA SER A 72 -11.322 -1.082 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.190 -2.122 -2.134 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.627 -0.536 -2.622 1.00 0.00 H new ATOM 0 HG SER A 72 -13.854 -1.510 -4.554 1.00 0.00 H new ATOM 1108 N PHE A 73 -12.280 -0.519 0.233 1.00 0.00 N ATOM 1109 CA PHE A 73 -12.559 -0.308 1.666 1.00 0.00 C ATOM 1110 C PHE A 73 -14.006 -0.715 1.990 1.00 0.00 C ATOM 1111 O PHE A 73 -14.298 -1.267 3.064 1.00 0.00 O ATOM 1112 CB PHE A 73 -12.341 1.170 2.049 1.00 0.00 C ATOM 1113 CG PHE A 73 -11.107 1.751 1.432 1.00 0.00 C ATOM 1114 CD1 PHE A 73 -9.841 1.463 1.925 1.00 0.00 C ATOM 1115 CD2 PHE A 73 -11.216 2.558 0.308 1.00 0.00 C ATOM 1116 CE1 PHE A 73 -8.730 1.974 1.302 1.00 0.00 C ATOM 1117 CE2 PHE A 73 -10.105 3.065 -0.315 1.00 0.00 C ATOM 1118 CZ PHE A 73 -8.860 2.771 0.177 1.00 0.00 C ATOM 0 H PHE A 73 -11.993 0.323 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.872 -0.927 2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.207 1.753 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.274 1.254 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.731 0.837 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -12.195 2.791 -0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.747 1.753 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.210 3.692 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.980 3.161 -0.313 1.00 0.00 H new ATOM 1516 N GLY B 115 -9.600 -3.211 8.025 1.00 0.00 N ATOM 1517 CA GLY B 115 -8.452 -3.710 7.320 1.00 0.00 C ATOM 1518 C GLY B 115 -7.861 -2.632 6.410 1.00 0.00 C ATOM 1519 O GLY B 115 -6.880 -1.982 6.776 1.00 0.00 O ATOM 0 HA2 GLY B 115 -7.698 -4.043 8.033 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -8.734 -4.579 6.726 1.00 0.00 H new ATOM 1523 N PRO B 116 -8.464 -2.396 5.233 1.00 0.00 N ATOM 1524 CA PRO B 116 -7.973 -1.397 4.271 1.00 0.00 C ATOM 1525 C PRO B 116 -8.216 0.083 4.724 1.00 0.00 C ATOM 1526 O PRO B 116 -7.396 0.968 4.450 1.00 0.00 O ATOM 1527 CB PRO B 116 -8.764 -1.744 2.996 1.00 0.00 C ATOM 1528 CG PRO B 116 -10.035 -2.317 3.509 1.00 0.00 C ATOM 1529 CD PRO B 116 -9.647 -3.121 4.711 1.00 0.00 C ATOM 0 HA PRO B 116 -6.891 -1.440 4.147 1.00 0.00 H new ATOM 0 HB2 PRO B 116 -8.943 -0.860 2.384 1.00 0.00 H new ATOM 0 HB3 PRO B 116 -8.226 -2.459 2.374 1.00 0.00 H new ATOM 0 HG2 PRO B 116 -10.743 -1.531 3.773 1.00 0.00 H new ATOM 0 HG3 PRO B 116 -10.517 -2.941 2.757 1.00 0.00 H new ATOM 0 HD2 PRO B 116 -10.451 -3.162 5.446 1.00 0.00 H new ATOM 0 HD3 PRO B 116 -9.405 -4.150 4.446 1.00 0.00 H new ATOM 1537 N GLN B 117 -9.313 0.339 5.450 1.00 0.00 N ATOM 1538 CA GLN B 117 -9.639 1.712 5.898 1.00 0.00 C ATOM 1539 C GLN B 117 -8.579 2.244 6.862 1.00 0.00 C ATOM 1540 O GLN B 117 -7.993 3.336 6.669 1.00 0.00 O ATOM 1541 CB GLN B 117 -11.011 1.758 6.573 1.00 0.00 C ATOM 1542 CG GLN B 117 -11.341 3.119 7.173 1.00 0.00 C ATOM 1543 CD GLN B 117 -12.693 3.171 7.826 1.00 0.00 C ATOM 1544 OE1 GLN B 117 -13.186 2.173 8.322 1.00 0.00 O ATOM 1545 NE2 GLN B 117 -13.291 4.329 7.853 1.00 0.00 N ATOM 0 H GLN B 117 -9.985 -0.371 5.740 1.00 0.00 H new ATOM 0 HA GLN B 117 -9.658 2.345 5.011 1.00 0.00 H new ATOM 0 HB2 GLN B 117 -11.777 1.495 5.843 1.00 0.00 H new ATOM 0 HB3 GLN B 117 -11.047 1.004 7.359 1.00 0.00 H new ATOM 0 HG2 GLN B 117 -10.580 3.377 7.909 1.00 0.00 H new ATOM 0 HG3 GLN B 117 -11.295 3.874 6.389 1.00 0.00 H new ATOM 0 HE21 GLN B 117 -12.847 5.142 7.427 1.00 0.00 H new ATOM 0 HE22 GLN B 117 -14.203 4.422 8.300 1.00 0.00 H new ATOM 1554 N ASP B 118 -8.309 1.453 7.866 1.00 0.00 N ATOM 1555 CA ASP B 118 -7.329 1.788 8.878 1.00 0.00 C ATOM 1556 C ASP B 118 -5.957 1.824 8.254 1.00 0.00 C ATOM 1557 O ASP B 118 -5.067 2.554 8.703 1.00 0.00 O ATOM 1558 CB ASP B 118 -7.390 0.820 10.055 1.00 0.00 C ATOM 1559 CG ASP B 118 -6.431 1.171 11.156 1.00 0.00 C ATOM 1560 OD1 ASP B 118 -6.629 2.206 11.818 1.00 0.00 O ATOM 1561 OD2 ASP B 118 -5.476 0.420 11.400 1.00 0.00 O ATOM 0 H ASP B 118 -8.763 0.551 8.010 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.556 2.776 9.278 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -8.404 0.807 10.455 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -7.174 -0.188 9.701 1.00 0.00 H new ATOM 1566 N PHE B 119 -5.801 1.047 7.183 1.00 0.00 N ATOM 1567 CA PHE B 119 -4.542 0.935 6.490 1.00 0.00 C ATOM 1568 C PHE B 119 -4.172 2.279 5.869 1.00 0.00 C ATOM 1569 O PHE B 119 -3.007 2.633 5.793 1.00 0.00 O ATOM 1570 CB PHE B 119 -4.637 -0.143 5.429 1.00 0.00 C ATOM 1571 CG PHE B 119 -3.329 -0.626 4.942 1.00 0.00 C ATOM 1572 CD1 PHE B 119 -2.511 -1.351 5.787 1.00 0.00 C ATOM 1573 CD2 PHE B 119 -2.914 -0.379 3.652 1.00 0.00 C ATOM 1574 CE1 PHE B 119 -1.300 -1.823 5.364 1.00 0.00 C ATOM 1575 CE2 PHE B 119 -1.695 -0.855 3.218 1.00 0.00 C ATOM 1576 CZ PHE B 119 -0.891 -1.581 4.080 1.00 0.00 C ATOM 0 H PHE B 119 -6.550 0.483 6.781 1.00 0.00 H new ATOM 0 HA PHE B 119 -3.760 0.656 7.196 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -5.197 -0.987 5.833 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -5.207 0.243 4.584 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -2.834 -1.548 6.799 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -3.543 0.187 2.981 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -0.670 -2.383 6.038 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -1.368 -0.662 2.207 1.00 0.00 H new ATOM 0 HZ PHE B 119 0.062 -1.958 3.739 1.00 0.00 H new ATOM 1586 N LEU B 120 -5.175 3.018 5.447 1.00 0.00 N ATOM 1587 CA LEU B 120 -4.973 4.354 4.912 1.00 0.00 C ATOM 1588 C LEU B 120 -4.581 5.309 5.999 1.00 0.00 C ATOM 1589 O LEU B 120 -3.603 6.012 5.886 1.00 0.00 O ATOM 1590 CB LEU B 120 -6.242 4.892 4.311 1.00 0.00 C ATOM 1591 CG LEU B 120 -6.856 4.114 3.197 1.00 0.00 C ATOM 1592 CD1 LEU B 120 -8.123 4.801 2.780 1.00 0.00 C ATOM 1593 CD2 LEU B 120 -5.896 3.998 2.028 1.00 0.00 C ATOM 0 H LEU B 120 -6.149 2.715 5.463 1.00 0.00 H new ATOM 0 HA LEU B 120 -4.189 4.272 4.159 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -6.981 4.981 5.107 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -6.042 5.900 3.948 1.00 0.00 H new ATOM 0 HG LEU B 120 -7.080 3.102 3.535 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -8.587 4.245 1.965 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -8.809 4.844 3.626 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -7.895 5.813 2.446 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -6.365 3.427 1.227 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -5.644 4.994 1.664 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -4.988 3.490 2.352 1.00 0.00 H new ATOM 1605 N LEU B 121 -5.353 5.315 7.068 1.00 0.00 N ATOM 1606 CA LEU B 121 -5.175 6.283 8.165 1.00 0.00 C ATOM 1607 C LEU B 121 -3.801 6.209 8.841 1.00 0.00 C ATOM 1608 O LEU B 121 -3.384 7.144 9.524 1.00 0.00 O ATOM 1609 CB LEU B 121 -6.272 6.112 9.186 1.00 0.00 C ATOM 1610 CG LEU B 121 -7.683 6.369 8.675 1.00 0.00 C ATOM 1611 CD1 LEU B 121 -8.688 5.920 9.694 1.00 0.00 C ATOM 1612 CD2 LEU B 121 -7.875 7.845 8.387 1.00 0.00 C ATOM 0 H LEU B 121 -6.120 4.659 7.213 1.00 0.00 H new ATOM 0 HA LEU B 121 -5.233 7.273 7.713 1.00 0.00 H new ATOM 0 HB2 LEU B 121 -6.225 5.096 9.579 1.00 0.00 H new ATOM 0 HB3 LEU B 121 -6.077 6.786 10.020 1.00 0.00 H new ATOM 0 HG LEU B 121 -7.828 5.805 7.754 1.00 0.00 H new ATOM 0 HD11 LEU B 121 -9.694 6.108 9.320 1.00 0.00 H new ATOM 0 HD12 LEU B 121 -8.564 4.854 9.882 1.00 0.00 H new ATOM 0 HD13 LEU B 121 -8.537 6.472 10.622 1.00 0.00 H new ATOM 0 HD21 LEU B 121 -8.888 8.016 8.022 1.00 0.00 H new ATOM 0 HD22 LEU B 121 -7.717 8.418 9.301 1.00 0.00 H new ATOM 0 HD23 LEU B 121 -7.158 8.164 7.630 1.00 0.00 H new ATOM 1624 N LYS B 122 -3.102 5.122 8.639 1.00 0.00 N ATOM 1625 CA LYS B 122 -1.781 4.956 9.218 1.00 0.00 C ATOM 1626 C LYS B 122 -0.691 5.309 8.220 1.00 0.00 C ATOM 1627 O LYS B 122 0.499 5.113 8.492 1.00 0.00 O ATOM 1628 CB LYS B 122 -1.583 3.546 9.681 1.00 0.00 C ATOM 1629 CG LYS B 122 -1.651 2.548 8.568 1.00 0.00 C ATOM 1630 CD LYS B 122 -1.332 1.167 9.033 1.00 0.00 C ATOM 1631 CE LYS B 122 -2.535 0.448 9.702 1.00 0.00 C ATOM 1632 NZ LYS B 122 -2.997 1.071 10.964 1.00 0.00 N ATOM 0 H LYS B 122 -3.421 4.333 8.077 1.00 0.00 H new ATOM 0 HA LYS B 122 -1.712 5.634 10.069 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -0.615 3.465 10.175 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -2.342 3.304 10.425 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -2.649 2.561 8.130 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -0.954 2.835 7.781 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -0.991 0.575 8.183 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -0.505 1.212 9.742 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.366 0.425 8.997 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.258 -0.587 9.902 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -3.682 0.443 11.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -2.184 1.225 11.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.450 1.983 10.755 1.00 0.00 H new ATOM 1646 N MET B 123 -1.083 5.789 7.068 1.00 0.00 N ATOM 1647 CA MET B 123 -0.125 6.174 6.064 1.00 0.00 C ATOM 1648 C MET B 123 0.215 7.652 6.274 1.00 0.00 C ATOM 1649 O MET B 123 -0.642 8.411 6.753 1.00 0.00 O ATOM 1650 CB MET B 123 -0.698 6.014 4.650 1.00 0.00 C ATOM 1651 CG MET B 123 -1.169 4.626 4.272 1.00 0.00 C ATOM 1652 SD MET B 123 -1.732 4.586 2.552 1.00 0.00 S ATOM 1653 CE MET B 123 -2.200 2.878 2.341 1.00 0.00 C ATOM 0 H MET B 123 -2.059 5.923 6.802 1.00 0.00 H new ATOM 0 HA MET B 123 0.753 5.535 6.158 1.00 0.00 H new ATOM 0 HB2 MET B 123 -1.536 6.702 4.540 1.00 0.00 H new ATOM 0 HB3 MET B 123 0.064 6.324 3.935 1.00 0.00 H new ATOM 0 HG2 MET B 123 -0.358 3.911 4.411 1.00 0.00 H new ATOM 0 HG3 MET B 123 -1.980 4.320 4.932 1.00 0.00 H new ATOM 0 HE1 MET B 123 -2.942 2.799 1.546 1.00 0.00 H new ATOM 0 HE2 MET B 123 -1.321 2.290 2.077 1.00 0.00 H new ATOM 0 HE3 MET B 123 -2.624 2.499 3.271 1.00 0.00 H new ATOM 1663 N PRO B 124 1.441 8.092 5.957 1.00 0.00 N ATOM 1664 CA PRO B 124 1.805 9.501 6.076 1.00 0.00 C ATOM 1665 C PRO B 124 1.099 10.334 5.009 1.00 0.00 C ATOM 1666 O PRO B 124 1.204 10.048 3.821 1.00 0.00 O ATOM 1667 CB PRO B 124 3.317 9.521 5.843 1.00 0.00 C ATOM 1668 CG PRO B 124 3.622 8.267 5.100 1.00 0.00 C ATOM 1669 CD PRO B 124 2.559 7.267 5.465 1.00 0.00 C ATOM 0 HA PRO B 124 1.519 9.921 7.040 1.00 0.00 H new ATOM 0 HB2 PRO B 124 3.614 10.399 5.269 1.00 0.00 H new ATOM 0 HB3 PRO B 124 3.859 9.559 6.788 1.00 0.00 H new ATOM 0 HG2 PRO B 124 3.628 8.448 4.025 1.00 0.00 H new ATOM 0 HG3 PRO B 124 4.611 7.893 5.366 1.00 0.00 H new ATOM 0 HD2 PRO B 124 2.263 6.668 4.604 1.00 0.00 H new ATOM 0 HD3 PRO B 124 2.910 6.574 6.230 1.00 0.00 H new ATOM 1677 N GLY B 125 0.382 11.346 5.428 1.00 0.00 N ATOM 1678 CA GLY B 125 -0.323 12.166 4.490 1.00 0.00 C ATOM 1679 C GLY B 125 -1.816 11.904 4.532 1.00 0.00 C ATOM 1680 O GLY B 125 -2.583 12.478 3.767 1.00 0.00 O ATOM 0 H GLY B 125 0.275 11.616 6.406 1.00 0.00 H new ATOM 0 HA2 GLY B 125 -0.131 13.217 4.708 1.00 0.00 H new ATOM 0 HA3 GLY B 125 0.052 11.975 3.485 1.00 0.00 H new ATOM 1684 N VAL B 126 -2.236 11.042 5.420 1.00 0.00 N ATOM 1685 CA VAL B 126 -3.628 10.684 5.502 1.00 0.00 C ATOM 1686 C VAL B 126 -4.268 11.140 6.816 1.00 0.00 C ATOM 1687 O VAL B 126 -3.705 10.964 7.899 1.00 0.00 O ATOM 1688 CB VAL B 126 -3.853 9.157 5.285 1.00 0.00 C ATOM 1689 CG1 VAL B 126 -5.333 8.791 5.389 1.00 0.00 C ATOM 1690 CG2 VAL B 126 -3.307 8.722 3.930 1.00 0.00 C ATOM 0 H VAL B 126 -1.634 10.574 6.097 1.00 0.00 H new ATOM 0 HA VAL B 126 -4.124 11.215 4.690 1.00 0.00 H new ATOM 0 HB VAL B 126 -3.314 8.631 6.073 1.00 0.00 H new ATOM 0 HG11 VAL B 126 -5.455 7.719 5.233 1.00 0.00 H new ATOM 0 HG12 VAL B 126 -5.705 9.058 6.378 1.00 0.00 H new ATOM 0 HG13 VAL B 126 -5.896 9.334 4.630 1.00 0.00 H new ATOM 0 HG21 VAL B 126 -3.473 7.653 3.797 1.00 0.00 H new ATOM 0 HG22 VAL B 126 -3.818 9.270 3.139 1.00 0.00 H new ATOM 0 HG23 VAL B 126 -2.238 8.931 3.884 1.00 0.00 H new ATOM 1700 N ASN B 127 -5.441 11.728 6.682 1.00 0.00 N ATOM 1701 CA ASN B 127 -6.286 12.157 7.787 1.00 0.00 C ATOM 1702 C ASN B 127 -7.630 11.589 7.477 1.00 0.00 C ATOM 1703 O ASN B 127 -7.886 11.271 6.314 1.00 0.00 O ATOM 1704 CB ASN B 127 -6.452 13.687 7.859 1.00 0.00 C ATOM 1705 CG ASN B 127 -5.187 14.484 8.035 1.00 0.00 C ATOM 1706 OD1 ASN B 127 -4.662 14.976 6.953 1.00 0.00 O flip ATOM 1707 ND2 ASN B 127 -4.738 14.724 9.155 1.00 0.00 N flip ATOM 0 H ASN B 127 -5.849 11.929 5.769 1.00 0.00 H new ATOM 0 HA ASN B 127 -5.847 11.831 8.730 1.00 0.00 H new ATOM 0 HB2 ASN B 127 -6.944 14.022 6.946 1.00 0.00 H new ATOM 0 HB3 ASN B 127 -7.122 13.921 8.686 1.00 0.00 H new ATOM 0 HD21 ASN B 127 -5.180 14.317 9.980 1.00 0.00 H new ATOM 0 HD22 ASN B 127 -3.924 15.330 9.259 1.00 0.00 H new ATOM 1714 N ALA B 128 -8.504 11.509 8.450 1.00 0.00 N ATOM 1715 CA ALA B 128 -9.830 10.928 8.261 1.00 0.00 C ATOM 1716 C ALA B 128 -10.657 11.695 7.235 1.00 0.00 C ATOM 1717 O ALA B 128 -11.433 11.096 6.479 1.00 0.00 O ATOM 1718 CB ALA B 128 -10.567 10.824 9.586 1.00 0.00 C ATOM 0 H ALA B 128 -8.326 11.842 9.398 1.00 0.00 H new ATOM 0 HA ALA B 128 -9.686 9.923 7.865 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -11.552 10.388 9.421 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -10.000 10.191 10.269 1.00 0.00 H new ATOM 0 HB3 ALA B 128 -10.678 11.818 10.020 1.00 0.00 H new ATOM 1724 N LYS B 129 -10.425 12.996 7.145 1.00 0.00 N ATOM 1725 CA LYS B 129 -11.191 13.851 6.245 1.00 0.00 C ATOM 1726 C LYS B 129 -10.887 13.494 4.789 1.00 0.00 C ATOM 1727 O LYS B 129 -11.791 13.239 3.956 1.00 0.00 O ATOM 1728 CB LYS B 129 -10.905 15.348 6.564 1.00 0.00 C ATOM 1729 CG LYS B 129 -9.423 15.759 6.515 1.00 0.00 C ATOM 1730 CD LYS B 129 -9.197 17.136 7.125 1.00 0.00 C ATOM 1731 CE LYS B 129 -7.715 17.492 7.144 1.00 0.00 C ATOM 1732 NZ LYS B 129 -7.444 18.741 7.891 1.00 0.00 N ATOM 0 H LYS B 129 -9.711 13.485 7.685 1.00 0.00 H new ATOM 0 HA LYS B 129 -12.257 13.684 6.398 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -11.460 15.965 5.858 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -11.294 15.572 7.557 1.00 0.00 H new ATOM 0 HG2 LYS B 129 -8.824 15.022 7.049 1.00 0.00 H new ATOM 0 HG3 LYS B 129 -9.080 15.759 5.480 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -9.747 17.885 6.554 1.00 0.00 H new ATOM 0 HD3 LYS B 129 -9.592 17.156 8.141 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -7.153 16.674 7.594 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -7.357 17.599 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -6.423 18.940 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -7.958 19.529 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -7.760 18.632 8.876 1.00 0.00 H new ATOM 1746 N ASN B 130 -9.635 13.342 4.519 1.00 0.00 N ATOM 1747 CA ASN B 130 -9.209 13.069 3.192 1.00 0.00 C ATOM 1748 C ASN B 130 -9.197 11.592 2.906 1.00 0.00 C ATOM 1749 O ASN B 130 -9.095 11.188 1.778 1.00 0.00 O ATOM 1750 CB ASN B 130 -7.890 13.780 2.848 1.00 0.00 C ATOM 1751 CG ASN B 130 -6.726 13.545 3.820 1.00 0.00 C ATOM 1752 OD1 ASN B 130 -5.888 12.568 3.560 1.00 0.00 O flip ATOM 1753 ND2 ASN B 130 -6.583 14.264 4.802 1.00 0.00 N flip ATOM 0 H ASN B 130 -8.884 13.403 5.207 1.00 0.00 H new ATOM 0 HA ASN B 130 -9.947 13.496 2.513 1.00 0.00 H new ATOM 0 HB2 ASN B 130 -7.577 13.461 1.854 1.00 0.00 H new ATOM 0 HB3 ASN B 130 -8.081 14.852 2.794 1.00 0.00 H new ATOM 0 HD21 ASN B 130 -7.247 15.017 4.984 1.00 0.00 H new ATOM 0 HD22 ASN B 130 -5.800 14.110 5.438 1.00 0.00 H new ATOM 1760 N CYS B 131 -9.323 10.804 3.944 1.00 0.00 N ATOM 1761 CA CYS B 131 -9.431 9.365 3.841 1.00 0.00 C ATOM 1762 C CYS B 131 -10.809 8.989 3.307 1.00 0.00 C ATOM 1763 O CYS B 131 -10.923 8.188 2.393 1.00 0.00 O ATOM 1764 CB CYS B 131 -9.194 8.725 5.206 1.00 0.00 C ATOM 1765 SG CYS B 131 -9.212 6.926 5.230 1.00 0.00 S ATOM 0 H CYS B 131 -9.354 11.148 4.904 1.00 0.00 H new ATOM 0 HA CYS B 131 -8.674 8.996 3.149 1.00 0.00 H new ATOM 0 HB2 CYS B 131 -8.231 9.067 5.586 1.00 0.00 H new ATOM 0 HB3 CYS B 131 -9.956 9.088 5.896 1.00 0.00 H new ATOM 0 HG CYS B 131 -9.423 6.510 6.443 1.00 0.00 H new ATOM 1771 N ARG B 132 -11.854 9.593 3.866 1.00 0.00 N ATOM 1772 CA ARG B 132 -13.218 9.322 3.413 1.00 0.00 C ATOM 1773 C ARG B 132 -13.388 9.800 1.968 1.00 0.00 C ATOM 1774 O ARG B 132 -13.975 9.101 1.105 1.00 0.00 O ATOM 1775 CB ARG B 132 -14.246 9.969 4.366 1.00 0.00 C ATOM 1776 CG ARG B 132 -14.173 11.483 4.470 1.00 0.00 C ATOM 1777 CD ARG B 132 -15.242 12.150 3.623 1.00 0.00 C ATOM 1778 NE ARG B 132 -15.102 13.606 3.603 1.00 0.00 N ATOM 1779 CZ ARG B 132 -16.022 14.450 3.123 1.00 0.00 C ATOM 1780 NH1 ARG B 132 -17.217 13.995 2.746 1.00 0.00 N ATOM 1781 NH2 ARG B 132 -15.761 15.745 3.058 1.00 0.00 N ATOM 0 H ARG B 132 -11.786 10.268 4.627 1.00 0.00 H new ATOM 0 HA ARG B 132 -13.401 8.248 3.432 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -15.247 9.692 4.036 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -14.110 9.546 5.361 1.00 0.00 H new ATOM 0 HG2 ARG B 132 -14.292 11.784 5.511 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -13.188 11.824 4.150 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -15.187 11.767 2.604 1.00 0.00 H new ATOM 0 HD3 ARG B 132 -16.226 11.887 4.010 1.00 0.00 H new ATOM 0 HE ARG B 132 -14.243 14.005 3.981 1.00 0.00 H new ATOM 0 HH11 ARG B 132 -17.432 13.001 2.823 1.00 0.00 H new ATOM 0 HH12 ARG B 132 -17.917 14.641 2.380 1.00 0.00 H new ATOM 0 HH21 ARG B 132 -14.858 16.100 3.374 1.00 0.00 H new ATOM 0 HH22 ARG B 132 -16.462 16.389 2.692 1.00 0.00 H new ATOM 1795 N SER B 133 -12.839 10.970 1.688 1.00 0.00 N ATOM 1796 CA SER B 133 -12.845 11.491 0.350 1.00 0.00 C ATOM 1797 C SER B 133 -12.038 10.585 -0.578 1.00 0.00 C ATOM 1798 O SER B 133 -12.405 10.357 -1.750 1.00 0.00 O ATOM 1799 CB SER B 133 -12.293 12.888 0.366 1.00 0.00 C ATOM 1800 OG SER B 133 -13.151 13.734 1.104 1.00 0.00 O ATOM 0 H SER B 133 -12.385 11.570 2.377 1.00 0.00 H new ATOM 0 HA SER B 133 -13.866 11.520 -0.030 1.00 0.00 H new ATOM 0 HB2 SER B 133 -11.297 12.890 0.808 1.00 0.00 H new ATOM 0 HB3 SER B 133 -12.190 13.260 -0.653 1.00 0.00 H new ATOM 0 HG SER B 133 -12.880 13.733 2.046 1.00 0.00 H new ATOM 1806 N LEU B 134 -10.985 10.018 -0.030 1.00 0.00 N ATOM 1807 CA LEU B 134 -10.125 9.135 -0.765 1.00 0.00 C ATOM 1808 C LEU B 134 -10.909 7.916 -1.166 1.00 0.00 C ATOM 1809 O LEU B 134 -10.843 7.517 -2.273 1.00 0.00 O ATOM 1810 CB LEU B 134 -8.934 8.709 0.063 1.00 0.00 C ATOM 1811 CG LEU B 134 -7.802 8.034 -0.689 1.00 0.00 C ATOM 1812 CD1 LEU B 134 -6.932 9.026 -1.434 1.00 0.00 C ATOM 1813 CD2 LEU B 134 -7.007 7.148 0.214 1.00 0.00 C ATOM 0 H LEU B 134 -10.706 10.161 0.941 1.00 0.00 H new ATOM 0 HA LEU B 134 -9.756 9.664 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU B 134 -8.534 9.589 0.566 1.00 0.00 H new ATOM 0 HB3 LEU B 134 -9.283 8.029 0.840 1.00 0.00 H new ATOM 0 HG LEU B 134 -8.254 7.399 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -6.137 8.493 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -7.539 9.571 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU B 134 -6.493 9.729 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -6.203 6.678 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU B 134 -6.582 7.741 1.023 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -7.655 6.377 0.631 1.00 0.00 H new ATOM 1825 N MET B 135 -11.718 7.391 -0.253 1.00 0.00 N ATOM 1826 CA MET B 135 -12.547 6.183 -0.514 1.00 0.00 C ATOM 1827 C MET B 135 -13.466 6.390 -1.671 1.00 0.00 C ATOM 1828 O MET B 135 -13.797 5.467 -2.400 1.00 0.00 O ATOM 1829 CB MET B 135 -13.376 5.849 0.689 1.00 0.00 C ATOM 1830 CG MET B 135 -12.547 5.538 1.857 1.00 0.00 C ATOM 1831 SD MET B 135 -13.478 5.359 3.338 1.00 0.00 S ATOM 1832 CE MET B 135 -12.102 5.169 4.395 1.00 0.00 C ATOM 0 H MET B 135 -11.829 7.774 0.686 1.00 0.00 H new ATOM 0 HA MET B 135 -11.861 5.367 -0.741 1.00 0.00 H new ATOM 0 HB2 MET B 135 -14.031 6.688 0.922 1.00 0.00 H new ATOM 0 HB3 MET B 135 -14.017 4.997 0.462 1.00 0.00 H new ATOM 0 HG2 MET B 135 -11.996 4.617 1.668 1.00 0.00 H new ATOM 0 HG3 MET B 135 -11.809 6.329 1.992 1.00 0.00 H new ATOM 0 HE1 MET B 135 -12.009 4.123 4.686 1.00 0.00 H new ATOM 0 HE2 MET B 135 -11.197 5.483 3.875 1.00 0.00 H new ATOM 0 HE3 MET B 135 -12.240 5.782 5.285 1.00 0.00 H new ATOM 1842 N HIS B 136 -13.903 7.605 -1.817 1.00 0.00 N ATOM 1843 CA HIS B 136 -14.759 7.952 -2.933 1.00 0.00 C ATOM 1844 C HIS B 136 -13.968 8.189 -4.217 1.00 0.00 C ATOM 1845 O HIS B 136 -14.525 8.136 -5.314 1.00 0.00 O ATOM 1846 CB HIS B 136 -15.650 9.148 -2.609 1.00 0.00 C ATOM 1847 CG HIS B 136 -16.751 8.839 -1.636 1.00 0.00 C ATOM 1848 ND1 HIS B 136 -18.026 9.334 -1.757 1.00 0.00 N ATOM 1849 CD2 HIS B 136 -16.753 8.092 -0.505 1.00 0.00 C ATOM 1850 CE1 HIS B 136 -18.759 8.912 -0.749 1.00 0.00 C ATOM 1851 NE2 HIS B 136 -18.009 8.156 0.022 1.00 0.00 N ATOM 0 H HIS B 136 -13.687 8.376 -1.185 1.00 0.00 H new ATOM 0 HA HIS B 136 -15.405 7.092 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS B 136 -15.033 9.949 -2.202 1.00 0.00 H new ATOM 0 HB3 HIS B 136 -16.090 9.522 -3.533 1.00 0.00 H new ATOM 0 HD2 HIS B 136 -15.915 7.547 -0.097 1.00 0.00 H new ATOM 0 HE1 HIS B 136 -19.800 9.147 -0.583 1.00 0.00 H new ATOM 0 HE2 HIS B 136 -18.317 7.692 0.877 1.00 0.00 H new ATOM 1860 N HIS B 137 -12.676 8.444 -4.095 1.00 0.00 N ATOM 1861 CA HIS B 137 -11.853 8.693 -5.285 1.00 0.00 C ATOM 1862 C HIS B 137 -10.910 7.538 -5.622 1.00 0.00 C ATOM 1863 O HIS B 137 -10.244 7.564 -6.659 1.00 0.00 O ATOM 1864 CB HIS B 137 -11.061 9.997 -5.172 1.00 0.00 C ATOM 1865 CG HIS B 137 -11.876 11.252 -5.310 1.00 0.00 C ATOM 1866 ND1 HIS B 137 -12.605 11.944 -4.408 1.00 0.00 N flip ATOM 1867 CD2 HIS B 137 -11.985 11.949 -6.489 1.00 0.00 C flip ATOM 1868 CE1 HIS B 137 -13.127 13.025 -5.058 1.00 0.00 C flip ATOM 1869 NE2 HIS B 137 -12.739 13.005 -6.310 1.00 0.00 N flip ATOM 0 H HIS B 137 -12.175 8.486 -3.208 1.00 0.00 H new ATOM 0 HA HIS B 137 -12.563 8.783 -6.107 1.00 0.00 H new ATOM 0 HB2 HIS B 137 -10.556 10.015 -4.206 1.00 0.00 H new ATOM 0 HB3 HIS B 137 -10.285 10.000 -5.938 1.00 0.00 H new ATOM 0 HD1 HIS B 137 -12.740 11.704 -3.426 1.00 0.00 H new ATOM 0 HD2 HIS B 137 -11.519 11.669 -7.422 1.00 0.00 H new ATOM 0 HE1 HIS B 137 -13.760 13.778 -4.611 1.00 0.00 H new ATOM 1878 N VAL B 138 -10.846 6.548 -4.767 1.00 0.00 N ATOM 1879 CA VAL B 138 -9.957 5.431 -4.974 1.00 0.00 C ATOM 1880 C VAL B 138 -10.626 4.135 -4.513 1.00 0.00 C ATOM 1881 O VAL B 138 -11.528 4.163 -3.678 1.00 0.00 O ATOM 1882 CB VAL B 138 -8.598 5.647 -4.229 1.00 0.00 C ATOM 1883 CG1 VAL B 138 -8.708 5.462 -2.743 1.00 0.00 C ATOM 1884 CG2 VAL B 138 -7.541 4.770 -4.771 1.00 0.00 C ATOM 0 H VAL B 138 -11.403 6.493 -3.915 1.00 0.00 H new ATOM 0 HA VAL B 138 -9.743 5.356 -6.040 1.00 0.00 H new ATOM 0 HB VAL B 138 -8.323 6.687 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL B 138 -7.733 5.625 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL B 138 -9.424 6.178 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL B 138 -9.047 4.449 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL B 138 -6.610 4.945 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL B 138 -7.837 3.728 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL B 138 -7.394 4.989 -5.829 1.00 0.00 H new ATOM 1894 N LYS B 139 -10.208 3.021 -5.083 1.00 0.00 N ATOM 1895 CA LYS B 139 -10.743 1.724 -4.724 1.00 0.00 C ATOM 1896 C LYS B 139 -10.109 1.242 -3.442 1.00 0.00 C ATOM 1897 O LYS B 139 -10.788 1.002 -2.456 1.00 0.00 O ATOM 1898 CB LYS B 139 -10.483 0.725 -5.843 1.00 0.00 C ATOM 1899 CG LYS B 139 -11.035 -0.651 -5.574 1.00 0.00 C ATOM 1900 CD LYS B 139 -10.931 -1.556 -6.779 1.00 0.00 C ATOM 1901 CE LYS B 139 -9.499 -1.899 -7.123 1.00 0.00 C ATOM 1902 NZ LYS B 139 -9.434 -2.744 -8.325 1.00 0.00 N ATOM 0 H LYS B 139 -9.489 2.991 -5.806 1.00 0.00 H new ATOM 0 HA LYS B 139 -11.819 1.814 -4.574 1.00 0.00 H new ATOM 0 HB2 LYS B 139 -10.919 1.107 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS B 139 -9.408 0.649 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS B 139 -10.497 -1.099 -4.738 1.00 0.00 H new ATOM 0 HG3 LYS B 139 -12.079 -0.569 -5.273 1.00 0.00 H new ATOM 0 HD2 LYS B 139 -11.486 -2.475 -6.588 1.00 0.00 H new ATOM 0 HD3 LYS B 139 -11.401 -1.072 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS B 139 -8.931 -0.983 -7.287 1.00 0.00 H new ATOM 0 HE3 LYS B 139 -9.034 -2.417 -6.284 1.00 0.00 H new ATOM 0 HZ1 LYS B 139 -8.441 -2.966 -8.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 139 -9.957 -3.627 -8.157 1.00 0.00 H new ATOM 0 HZ3 LYS B 139 -9.858 -2.238 -9.129 1.00 0.00 H new ATOM 1916 N ASN B 140 -8.810 1.074 -3.493 1.00 0.00 N ATOM 1917 CA ASN B 140 -8.014 0.687 -2.374 1.00 0.00 C ATOM 1918 C ASN B 140 -6.549 0.929 -2.767 1.00 0.00 C ATOM 1919 O ASN B 140 -6.298 1.524 -3.832 1.00 0.00 O ATOM 1920 CB ASN B 140 -8.256 -0.804 -2.059 1.00 0.00 C ATOM 1921 CG ASN B 140 -7.557 -1.284 -0.795 1.00 0.00 C ATOM 1922 OD1 ASN B 140 -7.343 -0.533 0.141 1.00 0.00 O ATOM 1923 ND2 ASN B 140 -7.150 -2.492 -0.802 1.00 0.00 N ATOM 0 H ASN B 140 -8.268 1.210 -4.347 1.00 0.00 H new ATOM 0 HA ASN B 140 -8.269 1.260 -1.483 1.00 0.00 H new ATOM 0 HB2 ASN B 140 -9.328 -0.976 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN B 140 -7.915 -1.404 -2.902 1.00 0.00 H new ATOM 0 HD21 ASN B 140 -6.627 -2.859 -0.007 1.00 0.00 H new ATOM 0 HD22 ASN B 140 -7.348 -3.092 -1.603 1.00 0.00 H new ATOM 1930 N ILE B 141 -5.636 0.458 -1.927 1.00 0.00 N ATOM 1931 CA ILE B 141 -4.167 0.463 -2.055 1.00 0.00 C ATOM 1932 C ILE B 141 -3.673 0.500 -3.512 1.00 0.00 C ATOM 1933 O ILE B 141 -2.922 1.388 -3.877 1.00 0.00 O ATOM 1934 CB ILE B 141 -3.638 -0.842 -1.420 1.00 0.00 C ATOM 1935 CG1 ILE B 141 -4.029 -0.929 0.056 1.00 0.00 C ATOM 1936 CG2 ILE B 141 -2.116 -0.973 -1.583 1.00 0.00 C ATOM 1937 CD1 ILE B 141 -3.723 -2.264 0.693 1.00 0.00 C ATOM 0 H ILE B 141 -5.923 0.019 -1.052 1.00 0.00 H new ATOM 0 HA ILE B 141 -3.803 1.365 -1.564 1.00 0.00 H new ATOM 0 HB ILE B 141 -4.103 -1.673 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE B 141 -3.507 -0.147 0.607 1.00 0.00 H new ATOM 0 HG13 ILE B 141 -5.096 -0.728 0.151 1.00 0.00 H new ATOM 0 HG21 ILE B 141 -1.780 -1.903 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE B 141 -1.863 -0.979 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE B 141 -1.624 -0.130 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE B 141 -4.029 -2.247 1.739 1.00 0.00 H new ATOM 0 HD12 ILE B 141 -4.266 -3.050 0.169 1.00 0.00 H new ATOM 0 HD13 ILE B 141 -2.652 -2.460 0.631 1.00 0.00 H new ATOM 1949 N ALA B 142 -4.102 -0.478 -4.324 1.00 0.00 N ATOM 1950 CA ALA B 142 -3.680 -0.569 -5.736 1.00 0.00 C ATOM 1951 C ALA B 142 -3.901 0.715 -6.505 1.00 0.00 C ATOM 1952 O ALA B 142 -2.974 1.257 -7.080 1.00 0.00 O ATOM 1953 CB ALA B 142 -4.369 -1.713 -6.432 1.00 0.00 C ATOM 0 H ALA B 142 -4.740 -1.218 -4.031 1.00 0.00 H new ATOM 0 HA ALA B 142 -2.605 -0.751 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -4.041 -1.758 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -4.118 -2.648 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.448 -1.562 -6.399 1.00 0.00 H new ATOM 1959 N GLU B 143 -5.106 1.225 -6.459 1.00 0.00 N ATOM 1960 CA GLU B 143 -5.447 2.418 -7.194 1.00 0.00 C ATOM 1961 C GLU B 143 -4.808 3.608 -6.539 1.00 0.00 C ATOM 1962 O GLU B 143 -4.438 4.534 -7.203 1.00 0.00 O ATOM 1963 CB GLU B 143 -6.955 2.588 -7.257 1.00 0.00 C ATOM 1964 CG GLU B 143 -7.697 1.389 -7.809 1.00 0.00 C ATOM 1965 CD GLU B 143 -7.225 1.006 -9.168 1.00 0.00 C ATOM 1966 OE1 GLU B 143 -7.611 1.664 -10.146 1.00 0.00 O ATOM 1967 OE2 GLU B 143 -6.461 0.049 -9.280 1.00 0.00 O ATOM 0 H GLU B 143 -5.873 0.829 -5.916 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.074 2.331 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -7.327 2.800 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -7.185 3.457 -7.873 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -7.571 0.544 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -8.763 1.611 -7.847 1.00 0.00 H new ATOM 1974 N LEU B 144 -4.666 3.545 -5.226 1.00 0.00 N ATOM 1975 CA LEU B 144 -4.036 4.600 -4.449 1.00 0.00 C ATOM 1976 C LEU B 144 -2.592 4.788 -4.877 1.00 0.00 C ATOM 1977 O LEU B 144 -2.132 5.899 -5.080 1.00 0.00 O ATOM 1978 CB LEU B 144 -4.118 4.262 -2.954 1.00 0.00 C ATOM 1979 CG LEU B 144 -3.422 5.224 -2.000 1.00 0.00 C ATOM 1980 CD1 LEU B 144 -3.970 6.629 -2.168 1.00 0.00 C ATOM 1981 CD2 LEU B 144 -3.603 4.755 -0.576 1.00 0.00 C ATOM 0 H LEU B 144 -4.986 2.756 -4.665 1.00 0.00 H new ATOM 0 HA LEU B 144 -4.565 5.536 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU B 144 -5.170 4.206 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU B 144 -3.695 3.268 -2.805 1.00 0.00 H new ATOM 0 HG LEU B 144 -2.358 5.242 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU B 144 -3.461 7.303 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU B 144 -3.804 6.964 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU B 144 -5.039 6.631 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU B 144 -3.103 5.447 0.101 1.00 0.00 H new ATOM 0 HD22 LEU B 144 -4.666 4.718 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU B 144 -3.171 3.761 -0.463 1.00 0.00 H new ATOM 1993 N ALA B 145 -1.910 3.691 -5.058 1.00 0.00 N ATOM 1994 CA ALA B 145 -0.542 3.712 -5.463 1.00 0.00 C ATOM 1995 C ALA B 145 -0.420 3.918 -6.964 1.00 0.00 C ATOM 1996 O ALA B 145 0.665 4.201 -7.489 1.00 0.00 O ATOM 1997 CB ALA B 145 0.143 2.454 -5.013 1.00 0.00 C ATOM 0 H ALA B 145 -2.294 2.755 -4.927 1.00 0.00 H new ATOM 0 HA ALA B 145 -0.044 4.557 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA B 145 1.187 2.476 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA B 145 0.091 2.380 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA B 145 -0.351 1.591 -5.460 1.00 0.00 H new ATOM 2003 N ALA B 146 -1.534 3.768 -7.647 1.00 0.00 N ATOM 2004 CA ALA B 146 -1.605 4.008 -9.070 1.00 0.00 C ATOM 2005 C ALA B 146 -1.917 5.473 -9.321 1.00 0.00 C ATOM 2006 O ALA B 146 -1.687 5.999 -10.408 1.00 0.00 O ATOM 2007 CB ALA B 146 -2.648 3.110 -9.721 1.00 0.00 C ATOM 0 H ALA B 146 -2.417 3.476 -7.229 1.00 0.00 H new ATOM 0 HA ALA B 146 -0.641 3.769 -9.519 1.00 0.00 H new ATOM 0 HB1 ALA B 146 -2.682 3.310 -10.792 1.00 0.00 H new ATOM 0 HB2 ALA B 146 -2.384 2.066 -9.555 1.00 0.00 H new ATOM 0 HB3 ALA B 146 -3.626 3.311 -9.283 1.00 0.00 H new ATOM 2013 N LEU B 147 -2.451 6.125 -8.304 1.00 0.00 N ATOM 2014 CA LEU B 147 -2.762 7.525 -8.368 1.00 0.00 C ATOM 2015 C LEU B 147 -1.492 8.349 -8.367 1.00 0.00 C ATOM 2016 O LEU B 147 -0.482 7.970 -7.761 1.00 0.00 O ATOM 2017 CB LEU B 147 -3.632 7.976 -7.185 1.00 0.00 C ATOM 2018 CG LEU B 147 -5.050 7.427 -7.115 1.00 0.00 C ATOM 2019 CD1 LEU B 147 -5.710 7.861 -5.820 1.00 0.00 C ATOM 2020 CD2 LEU B 147 -5.877 7.908 -8.292 1.00 0.00 C ATOM 0 H LEU B 147 -2.679 5.688 -7.411 1.00 0.00 H new ATOM 0 HA LEU B 147 -3.317 7.681 -9.293 1.00 0.00 H new ATOM 0 HB2 LEU B 147 -3.118 7.702 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU B 147 -3.692 9.064 -7.205 1.00 0.00 H new ATOM 0 HG LEU B 147 -4.995 6.339 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU B 147 -6.724 7.464 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU B 147 -5.136 7.482 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU B 147 -5.744 8.950 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU B 147 -6.886 7.502 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU B 147 -5.923 8.997 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU B 147 -5.417 7.571 -9.221 1.00 0.00 H new ATOM 2032 N SER B 148 -1.527 9.440 -9.047 1.00 0.00 N ATOM 2033 CA SER B 148 -0.431 10.352 -9.071 1.00 0.00 C ATOM 2034 C SER B 148 -0.578 11.330 -7.889 1.00 0.00 C ATOM 2035 O SER B 148 -1.653 11.408 -7.275 1.00 0.00 O ATOM 2036 CB SER B 148 -0.459 11.077 -10.409 1.00 0.00 C ATOM 2037 OG SER B 148 -0.510 10.127 -11.463 1.00 0.00 O ATOM 0 H SER B 148 -2.326 9.731 -9.610 1.00 0.00 H new ATOM 0 HA SER B 148 0.526 9.841 -8.968 1.00 0.00 H new ATOM 0 HB2 SER B 148 -1.325 11.737 -10.458 1.00 0.00 H new ATOM 0 HB3 SER B 148 0.426 11.704 -10.513 1.00 0.00 H new ATOM 0 HG SER B 148 -0.530 10.594 -12.324 1.00 0.00 H new ATOM 2043 N GLN B 149 0.470 12.085 -7.581 1.00 0.00 N ATOM 2044 CA GLN B 149 0.440 13.047 -6.482 1.00 0.00 C ATOM 2045 C GLN B 149 -0.547 14.153 -6.826 1.00 0.00 C ATOM 2046 O GLN B 149 -1.166 14.764 -5.954 1.00 0.00 O ATOM 2047 CB GLN B 149 1.825 13.640 -6.262 1.00 0.00 C ATOM 2048 CG GLN B 149 1.911 14.547 -5.055 1.00 0.00 C ATOM 2049 CD GLN B 149 3.232 15.263 -4.953 1.00 0.00 C ATOM 2050 OE1 GLN B 149 4.275 14.739 -5.353 1.00 0.00 O ATOM 2051 NE2 GLN B 149 3.201 16.469 -4.453 1.00 0.00 N ATOM 0 H GLN B 149 1.359 12.050 -8.081 1.00 0.00 H new ATOM 0 HA GLN B 149 0.131 12.544 -5.566 1.00 0.00 H new ATOM 0 HB2 GLN B 149 2.544 12.829 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN B 149 2.116 14.202 -7.150 1.00 0.00 H new ATOM 0 HG2 GLN B 149 1.108 15.282 -5.101 1.00 0.00 H new ATOM 0 HG3 GLN B 149 1.752 13.958 -4.152 1.00 0.00 H new ATOM 0 HE21 GLN B 149 2.317 16.866 -4.133 1.00 0.00 H new ATOM 0 HE22 GLN B 149 4.060 17.014 -4.382 1.00 0.00 H new ATOM 2060 N ASP B 150 -0.699 14.362 -8.113 1.00 0.00 N ATOM 2061 CA ASP B 150 -1.630 15.311 -8.697 1.00 0.00 C ATOM 2062 C ASP B 150 -3.029 14.970 -8.223 1.00 0.00 C ATOM 2063 O ASP B 150 -3.781 15.825 -7.739 1.00 0.00 O ATOM 2064 CB ASP B 150 -1.592 15.167 -10.228 1.00 0.00 C ATOM 2065 CG ASP B 150 -0.214 15.337 -10.827 1.00 0.00 C ATOM 2066 OD1 ASP B 150 0.719 14.564 -10.476 1.00 0.00 O ATOM 2067 OD2 ASP B 150 -0.023 16.242 -11.653 1.00 0.00 O ATOM 0 H ASP B 150 -0.157 13.857 -8.814 1.00 0.00 H new ATOM 0 HA ASP B 150 -1.362 16.326 -8.404 1.00 0.00 H new ATOM 0 HB2 ASP B 150 -1.977 14.184 -10.500 1.00 0.00 H new ATOM 0 HB3 ASP B 150 -2.262 15.905 -10.669 1.00 0.00 H new ATOM 2072 N GLU B 151 -3.335 13.694 -8.310 1.00 0.00 N ATOM 2073 CA GLU B 151 -4.613 13.146 -7.920 1.00 0.00 C ATOM 2074 C GLU B 151 -4.801 13.287 -6.439 1.00 0.00 C ATOM 2075 O GLU B 151 -5.836 13.740 -5.983 1.00 0.00 O ATOM 2076 CB GLU B 151 -4.686 11.679 -8.315 1.00 0.00 C ATOM 2077 CG GLU B 151 -4.553 11.464 -9.801 1.00 0.00 C ATOM 2078 CD GLU B 151 -5.634 12.186 -10.548 1.00 0.00 C ATOM 2079 OE1 GLU B 151 -6.741 11.645 -10.680 1.00 0.00 O ATOM 2080 OE2 GLU B 151 -5.408 13.324 -10.997 1.00 0.00 O ATOM 0 H GLU B 151 -2.684 12.992 -8.663 1.00 0.00 H new ATOM 0 HA GLU B 151 -5.406 13.693 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU B 151 -3.897 11.130 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU B 151 -5.635 11.264 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU B 151 -3.577 11.815 -10.137 1.00 0.00 H new ATOM 0 HG3 GLU B 151 -4.602 10.398 -10.024 1.00 0.00 H new ATOM 2087 N LEU B 152 -3.773 12.947 -5.694 1.00 0.00 N ATOM 2088 CA LEU B 152 -3.818 13.043 -4.251 1.00 0.00 C ATOM 2089 C LEU B 152 -4.048 14.488 -3.801 1.00 0.00 C ATOM 2090 O LEU B 152 -4.816 14.733 -2.898 1.00 0.00 O ATOM 2091 CB LEU B 152 -2.551 12.466 -3.623 1.00 0.00 C ATOM 2092 CG LEU B 152 -2.255 10.995 -3.922 1.00 0.00 C ATOM 2093 CD1 LEU B 152 -0.971 10.559 -3.249 1.00 0.00 C ATOM 2094 CD2 LEU B 152 -3.416 10.111 -3.492 1.00 0.00 C ATOM 0 H LEU B 152 -2.889 12.599 -6.066 1.00 0.00 H new ATOM 0 HA LEU B 152 -4.663 12.449 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU B 152 -1.702 13.061 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU B 152 -2.619 12.588 -2.542 1.00 0.00 H new ATOM 0 HG LEU B 152 -2.128 10.887 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU B 152 -0.780 9.510 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU B 152 -0.143 11.166 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU B 152 -1.064 10.687 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU B 152 -3.182 9.070 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU B 152 -3.582 10.225 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU B 152 -4.316 10.404 -4.032 1.00 0.00 H new ATOM 2106 N THR B 153 -3.430 15.439 -4.475 1.00 0.00 N ATOM 2107 CA THR B 153 -3.618 16.847 -4.137 1.00 0.00 C ATOM 2108 C THR B 153 -5.076 17.257 -4.400 1.00 0.00 C ATOM 2109 O THR B 153 -5.631 18.087 -3.705 1.00 0.00 O ATOM 2110 CB THR B 153 -2.675 17.762 -4.949 1.00 0.00 C ATOM 2111 OG1 THR B 153 -1.323 17.265 -4.873 1.00 0.00 O ATOM 2112 CG2 THR B 153 -2.700 19.184 -4.397 1.00 0.00 C ATOM 0 H THR B 153 -2.796 15.270 -5.256 1.00 0.00 H new ATOM 0 HA THR B 153 -3.380 16.967 -3.080 1.00 0.00 H new ATOM 0 HB THR B 153 -3.017 17.767 -5.984 1.00 0.00 H new ATOM 0 HG1 THR B 153 -1.258 16.417 -5.361 1.00 0.00 H new ATOM 0 HG21 THR B 153 -2.029 19.813 -4.982 1.00 0.00 H new ATOM 0 HG22 THR B 153 -3.714 19.580 -4.457 1.00 0.00 H new ATOM 0 HG23 THR B 153 -2.375 19.176 -3.357 1.00 0.00 H new ATOM 2120 N SER B 154 -5.679 16.652 -5.387 1.00 0.00 N ATOM 2121 CA SER B 154 -7.032 16.902 -5.730 1.00 0.00 C ATOM 2122 C SER B 154 -7.998 16.284 -4.692 1.00 0.00 C ATOM 2123 O SER B 154 -9.025 16.870 -4.341 1.00 0.00 O ATOM 2124 CB SER B 154 -7.255 16.326 -7.102 1.00 0.00 C ATOM 2125 OG SER B 154 -6.346 16.886 -8.039 1.00 0.00 O ATOM 0 H SER B 154 -5.224 15.959 -5.981 1.00 0.00 H new ATOM 0 HA SER B 154 -7.235 17.973 -5.731 1.00 0.00 H new ATOM 0 HB2 SER B 154 -7.131 15.243 -7.071 1.00 0.00 H new ATOM 0 HB3 SER B 154 -8.279 16.521 -7.421 1.00 0.00 H new ATOM 0 HG SER B 154 -5.457 16.495 -7.906 1.00 0.00 H new ATOM 2131 N ILE B 155 -7.649 15.111 -4.201 1.00 0.00 N ATOM 2132 CA ILE B 155 -8.472 14.394 -3.234 1.00 0.00 C ATOM 2133 C ILE B 155 -8.301 14.971 -1.832 1.00 0.00 C ATOM 2134 O ILE B 155 -9.273 15.280 -1.148 1.00 0.00 O ATOM 2135 CB ILE B 155 -8.084 12.895 -3.195 1.00 0.00 C ATOM 2136 CG1 ILE B 155 -8.235 12.273 -4.587 1.00 0.00 C ATOM 2137 CG2 ILE B 155 -8.941 12.139 -2.169 1.00 0.00 C ATOM 2138 CD1 ILE B 155 -7.675 10.870 -4.702 1.00 0.00 C ATOM 0 H ILE B 155 -6.790 14.625 -4.457 1.00 0.00 H new ATOM 0 HA ILE B 155 -9.510 14.504 -3.549 1.00 0.00 H new ATOM 0 HB ILE B 155 -7.041 12.815 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE B 155 -9.292 12.253 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE B 155 -7.736 12.913 -5.315 1.00 0.00 H new ATOM 0 HG21 ILE B 155 -8.652 11.088 -2.158 1.00 0.00 H new ATOM 0 HG22 ILE B 155 -8.787 12.568 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE B 155 -9.993 12.223 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE B 155 -7.821 10.502 -5.717 1.00 0.00 H new ATOM 0 HD12 ILE B 155 -6.610 10.883 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE B 155 -8.190 10.214 -4.000 1.00 0.00 H new ATOM 2150 N LEU B 156 -7.068 15.125 -1.423 1.00 0.00 N ATOM 2151 CA LEU B 156 -6.760 15.536 -0.066 1.00 0.00 C ATOM 2152 C LEU B 156 -6.852 17.053 0.054 1.00 0.00 C ATOM 2153 O LEU B 156 -7.171 17.597 1.111 1.00 0.00 O ATOM 2154 CB LEU B 156 -5.350 15.053 0.328 1.00 0.00 C ATOM 2155 CG LEU B 156 -4.928 13.639 -0.158 1.00 0.00 C ATOM 2156 CD1 LEU B 156 -3.602 13.259 0.416 1.00 0.00 C ATOM 2157 CD2 LEU B 156 -5.955 12.569 0.153 1.00 0.00 C ATOM 0 H LEU B 156 -6.250 14.972 -2.012 1.00 0.00 H new ATOM 0 HA LEU B 156 -7.485 15.086 0.612 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -4.626 15.773 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -5.276 15.074 1.415 1.00 0.00 H new ATOM 0 HG LEU B 156 -4.854 13.700 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -3.324 12.266 0.064 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -2.848 13.980 0.100 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -3.665 13.254 1.504 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.599 11.606 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -6.108 12.514 1.231 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -6.898 12.817 -0.335 1.00 0.00 H new ATOM 2169 N GLY B 157 -6.555 17.719 -1.039 1.00 0.00 N ATOM 2170 CA GLY B 157 -6.636 19.165 -1.120 1.00 0.00 C ATOM 2171 C GLY B 157 -5.358 19.859 -0.731 1.00 0.00 C ATOM 2172 O GLY B 157 -5.225 21.067 -0.907 1.00 0.00 O ATOM 0 H GLY B 157 -6.248 17.273 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY B 157 -6.900 19.450 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY B 157 -7.441 19.513 -0.473 1.00 0.00 H new ATOM 2176 N ASN B 158 -4.404 19.105 -0.237 1.00 0.00 N ATOM 2177 CA ASN B 158 -3.147 19.684 0.202 1.00 0.00 C ATOM 2178 C ASN B 158 -2.053 18.967 -0.503 1.00 0.00 C ATOM 2179 O ASN B 158 -2.059 17.723 -0.549 1.00 0.00 O ATOM 2180 CB ASN B 158 -2.898 19.492 1.717 1.00 0.00 C ATOM 2181 CG ASN B 158 -4.147 19.355 2.537 1.00 0.00 C ATOM 2182 OD1 ASN B 158 -4.738 20.330 2.972 1.00 0.00 O ATOM 2183 ND2 ASN B 158 -4.515 18.127 2.791 1.00 0.00 N ATOM 0 H ASN B 158 -4.469 18.093 -0.128 1.00 0.00 H new ATOM 0 HA ASN B 158 -3.180 20.752 -0.013 1.00 0.00 H new ATOM 0 HB2 ASN B 158 -2.283 18.604 1.862 1.00 0.00 H new ATOM 0 HB3 ASN B 158 -2.325 20.341 2.089 1.00 0.00 H new ATOM 0 HD21 ASN B 158 -5.331 17.950 3.377 1.00 0.00 H new ATOM 0 HD22 ASN B 158 -3.987 17.346 2.403 1.00 0.00 H new ATOM 2190 N ALA B 159 -1.112 19.707 -1.032 1.00 0.00 N ATOM 2191 CA ALA B 159 0.040 19.126 -1.698 1.00 0.00 C ATOM 2192 C ALA B 159 0.921 18.425 -0.688 1.00 0.00 C ATOM 2193 O ALA B 159 1.633 17.503 -1.027 1.00 0.00 O ATOM 2194 CB ALA B 159 0.845 20.186 -2.429 1.00 0.00 C ATOM 0 H ALA B 159 -1.117 20.727 -1.017 1.00 0.00 H new ATOM 0 HA ALA B 159 -0.323 18.405 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA B 159 1.701 19.720 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA B 159 0.217 20.667 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA B 159 1.196 20.932 -1.716 1.00 0.00 H new ATOM 2200 N ALA B 160 0.823 18.849 0.570 1.00 0.00 N ATOM 2201 CA ALA B 160 1.609 18.275 1.649 1.00 0.00 C ATOM 2202 C ALA B 160 1.232 16.837 1.848 1.00 0.00 C ATOM 2203 O ALA B 160 2.056 15.950 1.724 1.00 0.00 O ATOM 2204 CB ALA B 160 1.370 19.023 2.935 1.00 0.00 C ATOM 0 H ALA B 160 0.197 19.598 0.865 1.00 0.00 H new ATOM 0 HA ALA B 160 2.662 18.350 1.379 1.00 0.00 H new ATOM 0 HB1 ALA B 160 1.967 18.578 3.731 1.00 0.00 H new ATOM 0 HB2 ALA B 160 1.656 20.067 2.807 1.00 0.00 H new ATOM 0 HB3 ALA B 160 0.314 18.965 3.199 1.00 0.00 H new ATOM 2210 N ASN B 161 -0.050 16.612 2.106 1.00 0.00 N ATOM 2211 CA ASN B 161 -0.587 15.274 2.336 1.00 0.00 C ATOM 2212 C ASN B 161 -0.324 14.395 1.125 1.00 0.00 C ATOM 2213 O ASN B 161 0.053 13.236 1.253 1.00 0.00 O ATOM 2214 CB ASN B 161 -2.095 15.328 2.585 1.00 0.00 C ATOM 2215 CG ASN B 161 -2.569 15.834 3.946 1.00 0.00 C ATOM 2216 OD1 ASN B 161 -1.812 16.663 4.611 1.00 0.00 O flip ATOM 2217 ND2 ASN B 161 -3.638 15.467 4.385 1.00 0.00 N flip ATOM 0 H ASN B 161 -0.749 17.353 2.162 1.00 0.00 H new ATOM 0 HA ASN B 161 -0.093 14.860 3.215 1.00 0.00 H new ATOM 0 HB2 ASN B 161 -2.540 15.961 1.818 1.00 0.00 H new ATOM 0 HB3 ASN B 161 -2.495 14.324 2.442 1.00 0.00 H new ATOM 0 HD21 ASN B 161 -4.214 14.818 3.849 1.00 0.00 H new ATOM 0 HD22 ASN B 161 -3.961 15.807 5.291 1.00 0.00 H new ATOM 2224 N ALA B 162 -0.478 14.993 -0.047 1.00 0.00 N ATOM 2225 CA ALA B 162 -0.289 14.312 -1.308 1.00 0.00 C ATOM 2226 C ALA B 162 1.161 13.887 -1.488 1.00 0.00 C ATOM 2227 O ALA B 162 1.432 12.766 -1.908 1.00 0.00 O ATOM 2228 CB ALA B 162 -0.720 15.217 -2.447 1.00 0.00 C ATOM 0 H ALA B 162 -0.740 15.974 -0.145 1.00 0.00 H new ATOM 0 HA ALA B 162 -0.904 13.412 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA B 162 -0.576 14.701 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA B 162 -1.773 15.474 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA B 162 -0.121 16.128 -2.435 1.00 0.00 H new ATOM 2234 N LYS B 163 2.088 14.771 -1.139 1.00 0.00 N ATOM 2235 CA LYS B 163 3.488 14.487 -1.288 1.00 0.00 C ATOM 2236 C LYS B 163 3.919 13.453 -0.295 1.00 0.00 C ATOM 2237 O LYS B 163 4.612 12.524 -0.655 1.00 0.00 O ATOM 2238 CB LYS B 163 4.359 15.758 -1.185 1.00 0.00 C ATOM 2239 CG LYS B 163 5.854 15.453 -1.070 1.00 0.00 C ATOM 2240 CD LYS B 163 6.713 16.696 -1.007 1.00 0.00 C ATOM 2241 CE LYS B 163 8.179 16.331 -0.748 1.00 0.00 C ATOM 2242 NZ LYS B 163 8.784 15.522 -1.841 1.00 0.00 N ATOM 0 H LYS B 163 1.882 15.691 -0.750 1.00 0.00 H new ATOM 0 HA LYS B 163 3.636 14.090 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS B 163 4.188 16.381 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS B 163 4.045 16.337 -0.317 1.00 0.00 H new ATOM 0 HG2 LYS B 163 6.028 14.853 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS B 163 6.162 14.850 -1.924 1.00 0.00 H new ATOM 0 HD2 LYS B 163 6.631 17.248 -1.943 1.00 0.00 H new ATOM 0 HD3 LYS B 163 6.352 17.354 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS B 163 8.757 17.246 -0.619 1.00 0.00 H new ATOM 0 HE3 LYS B 163 8.249 15.776 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 9.800 15.394 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 8.320 14.592 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 8.656 16.014 -2.748 1.00 0.00 H new ATOM 2256 N GLN B 164 3.464 13.599 0.943 1.00 0.00 N ATOM 2257 CA GLN B 164 3.809 12.670 2.010 1.00 0.00 C ATOM 2258 C GLN B 164 3.479 11.244 1.620 1.00 0.00 C ATOM 2259 O GLN B 164 4.314 10.331 1.759 1.00 0.00 O ATOM 2260 CB GLN B 164 3.098 13.036 3.304 1.00 0.00 C ATOM 2261 CG GLN B 164 3.492 14.375 3.866 1.00 0.00 C ATOM 2262 CD GLN B 164 2.858 14.622 5.206 1.00 0.00 C ATOM 2263 OE1 GLN B 164 1.675 15.159 5.189 1.00 0.00 O flip ATOM 2264 NE2 GLN B 164 3.422 14.300 6.244 1.00 0.00 N flip ATOM 0 H GLN B 164 2.850 14.359 1.234 1.00 0.00 H new ATOM 0 HA GLN B 164 4.884 12.743 2.173 1.00 0.00 H new ATOM 0 HB2 GLN B 164 2.022 13.030 3.129 1.00 0.00 H new ATOM 0 HB3 GLN B 164 3.304 12.267 4.049 1.00 0.00 H new ATOM 0 HG2 GLN B 164 4.577 14.425 3.962 1.00 0.00 H new ATOM 0 HG3 GLN B 164 3.196 15.162 3.173 1.00 0.00 H new ATOM 0 HE21 GLN B 164 4.351 13.881 6.211 1.00 0.00 H new ATOM 0 HE22 GLN B 164 2.962 14.451 7.142 1.00 0.00 H new ATOM 2273 N LEU B 165 2.299 11.073 1.076 1.00 0.00 N ATOM 2274 CA LEU B 165 1.834 9.783 0.684 1.00 0.00 C ATOM 2275 C LEU B 165 2.522 9.302 -0.600 1.00 0.00 C ATOM 2276 O LEU B 165 3.088 8.208 -0.621 1.00 0.00 O ATOM 2277 CB LEU B 165 0.310 9.791 0.548 1.00 0.00 C ATOM 2278 CG LEU B 165 -0.347 8.449 0.250 1.00 0.00 C ATOM 2279 CD1 LEU B 165 0.050 7.418 1.293 1.00 0.00 C ATOM 2280 CD2 LEU B 165 -1.854 8.606 0.220 1.00 0.00 C ATOM 0 H LEU B 165 1.640 11.831 0.896 1.00 0.00 H new ATOM 0 HA LEU B 165 2.099 9.069 1.464 1.00 0.00 H new ATOM 0 HB2 LEU B 165 -0.114 10.182 1.473 1.00 0.00 H new ATOM 0 HB3 LEU B 165 0.041 10.488 -0.246 1.00 0.00 H new ATOM 0 HG LEU B 165 -0.005 8.103 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU B 165 -0.429 6.466 1.064 1.00 0.00 H new ATOM 0 HD12 LEU B 165 1.133 7.291 1.285 1.00 0.00 H new ATOM 0 HD13 LEU B 165 -0.269 7.756 2.279 1.00 0.00 H new ATOM 0 HD21 LEU B 165 -2.316 7.642 0.006 1.00 0.00 H new ATOM 0 HD22 LEU B 165 -2.201 8.968 1.187 1.00 0.00 H new ATOM 0 HD23 LEU B 165 -2.130 9.321 -0.556 1.00 0.00 H new ATOM 2292 N TYR B 166 2.528 10.138 -1.649 1.00 0.00 N ATOM 2293 CA TYR B 166 3.116 9.764 -2.944 1.00 0.00 C ATOM 2294 C TYR B 166 4.601 9.402 -2.802 1.00 0.00 C ATOM 2295 O TYR B 166 5.092 8.428 -3.437 1.00 0.00 O ATOM 2296 CB TYR B 166 2.938 10.909 -3.946 1.00 0.00 C ATOM 2297 CG TYR B 166 3.399 10.616 -5.354 1.00 0.00 C ATOM 2298 CD1 TYR B 166 2.594 9.906 -6.232 1.00 0.00 C ATOM 2299 CD2 TYR B 166 4.631 11.066 -5.813 1.00 0.00 C ATOM 2300 CE1 TYR B 166 3.001 9.652 -7.525 1.00 0.00 C ATOM 2301 CE2 TYR B 166 5.041 10.817 -7.104 1.00 0.00 C ATOM 2302 CZ TYR B 166 4.223 10.109 -7.955 1.00 0.00 C ATOM 2303 OH TYR B 166 4.636 9.855 -9.242 1.00 0.00 O ATOM 0 H TYR B 166 2.132 11.078 -1.626 1.00 0.00 H new ATOM 0 HA TYR B 166 2.595 8.880 -3.312 1.00 0.00 H new ATOM 0 HB2 TYR B 166 1.883 11.181 -3.977 1.00 0.00 H new ATOM 0 HB3 TYR B 166 3.481 11.779 -3.578 1.00 0.00 H new ATOM 0 HD1 TYR B 166 1.632 9.546 -5.898 1.00 0.00 H new ATOM 0 HD2 TYR B 166 5.277 11.619 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR B 166 2.362 9.097 -8.196 1.00 0.00 H new ATOM 0 HE2 TYR B 166 6.000 11.176 -7.447 1.00 0.00 H new ATOM 0 HH TYR B 166 5.522 10.248 -9.385 1.00 0.00 H new ATOM 2313 N ASP B 167 5.295 10.169 -1.973 1.00 0.00 N ATOM 2314 CA ASP B 167 6.713 9.966 -1.692 1.00 0.00 C ATOM 2315 C ASP B 167 6.929 8.648 -0.992 1.00 0.00 C ATOM 2316 O ASP B 167 7.817 7.898 -1.361 1.00 0.00 O ATOM 2317 CB ASP B 167 7.279 11.115 -0.840 1.00 0.00 C ATOM 2318 CG ASP B 167 8.721 10.910 -0.411 1.00 0.00 C ATOM 2319 OD1 ASP B 167 9.645 11.110 -1.243 1.00 0.00 O ATOM 2320 OD2 ASP B 167 8.955 10.588 0.776 1.00 0.00 O ATOM 0 H ASP B 167 4.887 10.958 -1.471 1.00 0.00 H new ATOM 0 HA ASP B 167 7.244 9.952 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP B 167 7.207 12.044 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP B 167 6.659 11.235 0.049 1.00 0.00 H new ATOM 2325 N PHE B 168 6.078 8.349 -0.014 1.00 0.00 N ATOM 2326 CA PHE B 168 6.182 7.107 0.737 1.00 0.00 C ATOM 2327 C PHE B 168 5.958 5.919 -0.196 1.00 0.00 C ATOM 2328 O PHE B 168 6.782 5.025 -0.258 1.00 0.00 O ATOM 2329 CB PHE B 168 5.174 7.106 1.894 1.00 0.00 C ATOM 2330 CG PHE B 168 5.239 5.900 2.795 1.00 0.00 C ATOM 2331 CD1 PHE B 168 6.379 5.631 3.534 1.00 0.00 C ATOM 2332 CD2 PHE B 168 4.151 5.055 2.925 1.00 0.00 C ATOM 2333 CE1 PHE B 168 6.435 4.542 4.380 1.00 0.00 C ATOM 2334 CE2 PHE B 168 4.200 3.961 3.769 1.00 0.00 C ATOM 2335 CZ PHE B 168 5.344 3.705 4.497 1.00 0.00 C ATOM 0 H PHE B 168 5.308 8.953 0.275 1.00 0.00 H new ATOM 0 HA PHE B 168 7.182 7.021 1.163 1.00 0.00 H new ATOM 0 HB2 PHE B 168 5.335 8.000 2.497 1.00 0.00 H new ATOM 0 HB3 PHE B 168 4.168 7.177 1.480 1.00 0.00 H new ATOM 0 HD1 PHE B 168 7.236 6.282 3.447 1.00 0.00 H new ATOM 0 HD2 PHE B 168 3.252 5.253 2.360 1.00 0.00 H new ATOM 0 HE1 PHE B 168 7.331 4.345 4.950 1.00 0.00 H new ATOM 0 HE2 PHE B 168 3.344 3.308 3.858 1.00 0.00 H new ATOM 0 HZ PHE B 168 5.385 2.851 5.157 1.00 0.00 H new ATOM 2345 N ILE B 169 4.878 5.995 -0.980 1.00 0.00 N ATOM 2346 CA ILE B 169 4.472 4.973 -1.979 1.00 0.00 C ATOM 2347 C ILE B 169 5.613 4.627 -2.970 1.00 0.00 C ATOM 2348 O ILE B 169 5.700 3.481 -3.506 1.00 0.00 O ATOM 2349 CB ILE B 169 3.223 5.482 -2.770 1.00 0.00 C ATOM 2350 CG1 ILE B 169 2.004 5.583 -1.852 1.00 0.00 C ATOM 2351 CG2 ILE B 169 2.911 4.619 -3.983 1.00 0.00 C ATOM 2352 CD1 ILE B 169 0.808 6.208 -2.523 1.00 0.00 C ATOM 0 H ILE B 169 4.237 6.787 -0.944 1.00 0.00 H new ATOM 0 HA ILE B 169 4.229 4.061 -1.434 1.00 0.00 H new ATOM 0 HB ILE B 169 3.468 6.477 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE B 169 1.737 4.586 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE B 169 2.267 6.170 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE B 169 2.035 5.016 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE B 169 3.763 4.624 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE B 169 2.710 3.597 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE B 169 -0.023 6.251 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE B 169 1.060 7.217 -2.849 1.00 0.00 H new ATOM 0 HD13 ILE B 169 0.521 5.609 -3.387 1.00 0.00 H new ATOM 2364 N HIS B 170 6.439 5.621 -3.253 1.00 0.00 N ATOM 2365 CA HIS B 170 7.567 5.462 -4.176 1.00 0.00 C ATOM 2366 C HIS B 170 8.933 5.351 -3.491 1.00 0.00 C ATOM 2367 O HIS B 170 9.952 5.338 -4.162 1.00 0.00 O ATOM 2368 CB HIS B 170 7.586 6.576 -5.221 1.00 0.00 C ATOM 2369 CG HIS B 170 6.498 6.445 -6.223 1.00 0.00 C ATOM 2370 ND1 HIS B 170 5.231 6.944 -6.030 1.00 0.00 N ATOM 2371 CD2 HIS B 170 6.477 5.822 -7.419 1.00 0.00 C ATOM 2372 CE1 HIS B 170 4.476 6.621 -7.069 1.00 0.00 C ATOM 2373 NE2 HIS B 170 5.212 5.944 -7.920 1.00 0.00 N ATOM 0 H HIS B 170 6.354 6.557 -2.856 1.00 0.00 H new ATOM 0 HA HIS B 170 7.398 4.504 -4.667 1.00 0.00 H new ATOM 0 HB2 HIS B 170 7.497 7.540 -4.719 1.00 0.00 H new ATOM 0 HB3 HIS B 170 8.548 6.571 -5.733 1.00 0.00 H new ATOM 0 HD1 HIS B 170 4.922 7.477 -5.217 1.00 0.00 H new ATOM 0 HD2 HIS B 170 7.307 5.319 -7.893 1.00 0.00 H new ATOM 0 HE1 HIS B 170 3.433 6.872 -7.195 1.00 0.00 H new ATOM 2382 N THR B 171 8.964 5.246 -2.203 1.00 0.00 N ATOM 2383 CA THR B 171 10.224 5.099 -1.508 1.00 0.00 C ATOM 2384 C THR B 171 10.446 3.647 -1.115 1.00 0.00 C ATOM 2385 O THR B 171 9.813 3.163 -0.195 1.00 0.00 O ATOM 2386 CB THR B 171 10.271 6.019 -0.260 1.00 0.00 C ATOM 2387 OG1 THR B 171 10.341 7.400 -0.677 1.00 0.00 O ATOM 2388 CG2 THR B 171 11.434 5.683 0.673 1.00 0.00 C ATOM 0 H THR B 171 8.140 5.258 -1.602 1.00 0.00 H new ATOM 0 HA THR B 171 11.027 5.400 -2.181 1.00 0.00 H new ATOM 0 HB THR B 171 9.356 5.851 0.307 1.00 0.00 H new ATOM 0 HG1 THR B 171 9.463 7.688 -1.004 1.00 0.00 H new ATOM 0 HG21 THR B 171 11.420 6.357 1.530 1.00 0.00 H new ATOM 0 HG22 THR B 171 11.337 4.654 1.019 1.00 0.00 H new ATOM 0 HG23 THR B 171 12.376 5.798 0.137 1.00 0.00 H new ATOM 2396 N SER B 172 11.313 2.936 -1.839 1.00 0.00 N ATOM 2397 CA SER B 172 11.590 1.556 -1.505 1.00 0.00 C ATOM 2398 C SER B 172 12.099 1.422 -0.096 1.00 0.00 C ATOM 2399 O SER B 172 12.790 2.321 0.441 1.00 0.00 O ATOM 2400 CB SER B 172 12.573 0.897 -2.481 1.00 0.00 C ATOM 2401 OG SER B 172 12.876 -0.447 -2.111 1.00 0.00 O ATOM 0 H SER B 172 11.823 3.294 -2.646 1.00 0.00 H new ATOM 0 HA SER B 172 10.639 1.030 -1.589 1.00 0.00 H new ATOM 0 HB2 SER B 172 12.149 0.909 -3.485 1.00 0.00 H new ATOM 0 HB3 SER B 172 13.494 1.479 -2.516 1.00 0.00 H new ATOM 0 HG SER B 172 12.049 -0.971 -2.076 1.00 0.00 H new ATOM 2407 N PHE B 173 11.801 0.276 0.474 1.00 0.00 N ATOM 2408 CA PHE B 173 12.167 -0.087 1.828 1.00 0.00 C ATOM 2409 C PHE B 173 13.693 0.002 1.976 1.00 0.00 C ATOM 2410 O PHE B 173 14.222 0.257 3.070 1.00 0.00 O ATOM 2411 CB PHE B 173 11.706 -1.532 2.102 1.00 0.00 C ATOM 2412 CG PHE B 173 10.362 -1.877 1.472 1.00 0.00 C ATOM 2413 CD1 PHE B 173 9.168 -1.476 2.047 1.00 0.00 C ATOM 2414 CD2 PHE B 173 10.309 -2.576 0.271 1.00 0.00 C ATOM 2415 CE1 PHE B 173 7.964 -1.758 1.438 1.00 0.00 C ATOM 2416 CE2 PHE B 173 9.106 -2.857 -0.339 1.00 0.00 C ATOM 2417 CZ PHE B 173 7.936 -2.445 0.241 1.00 0.00 C ATOM 0 H PHE B 173 11.279 -0.456 -0.008 1.00 0.00 H new ATOM 0 HA PHE B 173 11.692 0.590 2.538 1.00 0.00 H new ATOM 0 HB2 PHE B 173 12.461 -2.222 1.726 1.00 0.00 H new ATOM 0 HB3 PHE B 173 11.642 -1.685 3.179 1.00 0.00 H new ATOM 0 HD1 PHE B 173 9.180 -0.937 2.983 1.00 0.00 H new ATOM 0 HD2 PHE B 173 11.228 -2.905 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE B 173 7.040 -1.441 1.899 1.00 0.00 H new ATOM 0 HE2 PHE B 173 9.086 -3.401 -1.272 1.00 0.00 H new ATOM 0 HZ PHE B 173 6.992 -2.657 -0.238 1.00 0.00 H new