USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1023 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 97 CYS SG : rot 133:sc= 1.29 USER MOD Set 2.1: A 19 ASN : amide:sc= -7.8! C(o=-20!,f=-29!) USER MOD Set 2.2: A 73 GLN :FLIP amide:sc= -12.2! C(o=-23!,f=-20!) USER MOD Set 3.1: A 18 THR OG1 : rot -149:sc= -3.18! USER MOD Set 3.2: A 29 LYS NZ :NH3+ 147:sc= -4.71! (180deg=-8.28!) USER MOD Single : A 10 GLN : amide:sc= -0.0595 K(o=-0.059,f=-1.8!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -2.81! C(o=-2.8!,f=-2.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 172:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.53 F(o=-2.6!,f=-1.5) USER MOD Single : A 30 CYS SG : rot -151:sc= -7.67! USER MOD Single : A 32 GLN : amide:sc= -0.444 K(o=-0.44,f=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -103:sc= 0.183 USER MOD Single : A 40 HIS : no HD1:sc= -0.503 X(o=-0.5,f=-0.044) USER MOD Single : A 48 ASN : amide:sc= -2.07! C(o=-2.1!,f=-1.9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 55 GLN : amide:sc=-0.00512 X(o=-0.0051,f=0) USER MOD Single : A 57 GLN : amide:sc= -6.57! C(o=-6.6!,f=-7!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 136:sc= -7.31! (180deg=-10.7!) USER MOD Single : A 61 THR OG1 : rot 59:sc= 1.09 USER MOD Single : A 62 SER OG : rot 74:sc= 0.041 USER MOD Single : A 63 CYS SG : rot -173:sc= -3.88! USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 69 SER OG : rot 180:sc= -1.64 USER MOD Single : A 71 GLN : amide:sc= -5.15! C(o=-5.1!,f=-4.9!) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= -0.349 (180deg=-0.655) USER MOD Single : A 79 SER OG : rot 42:sc= -4.85! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS :FLIP no HD1:sc= -3.87! C(o=-4.5!,f=-3.9!) USER MOD Single : A 86 THR OG1 : rot 161:sc= -1.54 USER MOD Single : A 92 MET CE :methyl -143:sc= -20.5! (180deg=-26.3!) USER MOD Single : A 95 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.9) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -3.32! C(o=-3.3!,f=-15!) USER MOD Single : A 104 ASN : amide:sc= -0.693! C(o=-0.69!,f=-6.1!) USER MOD Single : A 106 LYS NZ :NH3+ -129:sc= -1.05! (180deg=-1.84!) USER MOD Single : A 115 ASN : amide:sc= -18.4! C(o=-18!,f=-32!) USER MOD Single : A 116 LYS NZ :NH3+ -140:sc= -0.616 (180deg=-1.61!) USER MOD Single : A 120 ASN :FLIP amide:sc= -6.91! C(o=-12!,f=-6.9!) USER MOD Single : A 127 LYS NZ :NH3+ 166:sc= -0.425 (180deg=-1.11) USER MOD Single : A 128 TYR OH : rot 50:sc= -3.49! USER MOD Single : A 131 GLN : amide:sc= -20.3! C(o=-20!,f=-36!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 169 N GLN A 10 9.974 -11.876 9.754 1.00 0.00 N ATOM 170 CA GLN A 10 10.504 -11.873 8.401 1.00 0.00 C ATOM 171 C GLN A 10 9.362 -11.873 7.383 1.00 0.00 C ATOM 172 O GLN A 10 8.483 -12.733 7.431 1.00 0.00 O ATOM 173 CB GLN A 10 11.440 -13.063 8.176 1.00 0.00 C ATOM 174 CG GLN A 10 10.755 -14.378 8.554 1.00 0.00 C ATOM 175 CD GLN A 10 11.476 -15.572 7.926 1.00 0.00 C ATOM 176 OE1 GLN A 10 12.308 -15.434 7.044 1.00 0.00 O ATOM 177 NE2 GLN A 10 11.112 -16.749 8.427 1.00 0.00 N ATOM 0 HA GLN A 10 11.087 -10.963 8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.747 -13.096 7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.345 -12.936 8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.741 -14.486 9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.717 -14.360 8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.409 -16.794 9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.536 -17.607 8.073 1.00 0.00 H new ATOM 186 N PRO A 11 9.412 -10.874 6.463 1.00 0.00 N ATOM 187 CA PRO A 11 8.393 -10.751 5.435 1.00 0.00 C ATOM 188 C PRO A 11 8.581 -11.810 4.347 1.00 0.00 C ATOM 189 O PRO A 11 9.704 -12.226 4.068 1.00 0.00 O ATOM 190 CB PRO A 11 8.531 -9.331 4.911 1.00 0.00 C ATOM 191 CG PRO A 11 9.915 -8.864 5.333 1.00 0.00 C ATOM 192 CD PRO A 11 10.438 -9.838 6.376 1.00 0.00 C ATOM 0 HA PRO A 11 7.387 -10.924 5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.423 -9.303 3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.757 -8.685 5.326 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.585 -8.829 4.474 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.869 -7.855 5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.400 -10.257 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.587 -9.346 7.337 1.00 0.00 H new ATOM 200 N ARG A 12 7.463 -12.216 3.761 1.00 0.00 N ATOM 201 CA ARG A 12 7.491 -13.219 2.710 1.00 0.00 C ATOM 202 C ARG A 12 6.784 -12.695 1.458 1.00 0.00 C ATOM 203 O ARG A 12 7.292 -12.839 0.348 1.00 0.00 O ATOM 204 CB ARG A 12 6.814 -14.513 3.165 1.00 0.00 C ATOM 205 CG ARG A 12 7.849 -15.608 3.432 1.00 0.00 C ATOM 206 CD ARG A 12 7.178 -16.881 3.953 1.00 0.00 C ATOM 207 NE ARG A 12 6.776 -16.699 5.366 1.00 0.00 N ATOM 208 CZ ARG A 12 6.179 -17.644 6.105 1.00 0.00 C ATOM 209 NH1 ARG A 12 5.911 -18.843 5.569 1.00 0.00 N ATOM 210 NH2 ARG A 12 5.849 -17.390 7.378 1.00 0.00 N ATOM 0 H ARG A 12 6.533 -11.868 3.994 1.00 0.00 H new ATOM 0 HA ARG A 12 8.536 -13.430 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.235 -14.326 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.113 -14.849 2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.394 -15.829 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.579 -15.254 4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.304 -17.116 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.863 -17.724 3.867 1.00 0.00 H new ATOM 0 HE ARG A 12 6.965 -15.798 5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.162 -19.036 4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.457 -19.563 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.052 -16.477 7.785 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.395 -18.109 7.940 1.00 0.00 H new ATOM 224 N THR A 13 5.622 -12.097 1.680 1.00 0.00 N ATOM 225 CA THR A 13 4.840 -11.551 0.584 1.00 0.00 C ATOM 226 C THR A 13 4.594 -10.056 0.797 1.00 0.00 C ATOM 227 O THR A 13 3.987 -9.658 1.791 1.00 0.00 O ATOM 228 CB THR A 13 3.552 -12.368 0.470 1.00 0.00 C ATOM 229 OG1 THR A 13 4.004 -13.700 0.245 1.00 0.00 O ATOM 230 CG2 THR A 13 2.753 -12.029 -0.791 1.00 0.00 C ATOM 0 H THR A 13 5.204 -11.979 2.603 1.00 0.00 H new ATOM 0 HA THR A 13 5.376 -11.629 -0.362 1.00 0.00 H new ATOM 0 HB THR A 13 2.933 -12.194 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.232 -14.298 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.849 -12.637 -0.823 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.481 -10.974 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.360 -12.235 -1.673 1.00 0.00 H new ATOM 238 N ILE A 14 5.079 -9.268 -0.151 1.00 0.00 N ATOM 239 CA ILE A 14 4.919 -7.825 -0.080 1.00 0.00 C ATOM 240 C ILE A 14 3.700 -7.410 -0.905 1.00 0.00 C ATOM 241 O ILE A 14 3.746 -7.414 -2.134 1.00 0.00 O ATOM 242 CB ILE A 14 6.212 -7.122 -0.497 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.439 -7.893 -0.006 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.222 -5.667 -0.025 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.610 -7.745 1.508 1.00 0.00 C ATOM 0 H ILE A 14 5.583 -9.601 -0.973 1.00 0.00 H new ATOM 0 HA ILE A 14 4.730 -7.513 0.947 1.00 0.00 H new ATOM 0 HB ILE A 14 6.256 -7.107 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.337 -8.947 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.331 -7.526 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.152 -5.190 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.378 -5.136 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.143 -5.636 1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.489 -8.303 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.736 -6.692 1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.727 -8.135 2.014 1.00 0.00 H new ATOM 257 N SER A 15 2.636 -7.062 -0.195 1.00 0.00 N ATOM 258 CA SER A 15 1.406 -6.644 -0.846 1.00 0.00 C ATOM 259 C SER A 15 1.250 -5.126 -0.746 1.00 0.00 C ATOM 260 O SER A 15 0.904 -4.602 0.312 1.00 0.00 O ATOM 261 CB SER A 15 0.192 -7.344 -0.231 1.00 0.00 C ATOM 262 OG SER A 15 -0.494 -8.155 -1.181 1.00 0.00 O ATOM 0 H SER A 15 2.601 -7.061 0.824 1.00 0.00 H new ATOM 0 HA SER A 15 1.462 -6.928 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.515 -7.962 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.493 -6.597 0.170 1.00 0.00 H new ATOM 0 HG SER A 15 -1.261 -8.586 -0.750 1.00 0.00 H new ATOM 268 N LEU A 16 1.512 -4.461 -1.861 1.00 0.00 N ATOM 269 CA LEU A 16 1.405 -3.013 -1.912 1.00 0.00 C ATOM 270 C LEU A 16 0.369 -2.619 -2.967 1.00 0.00 C ATOM 271 O LEU A 16 0.300 -3.230 -4.032 1.00 0.00 O ATOM 272 CB LEU A 16 2.781 -2.381 -2.136 1.00 0.00 C ATOM 273 CG LEU A 16 2.784 -0.985 -2.761 1.00 0.00 C ATOM 274 CD1 LEU A 16 3.428 0.036 -1.820 1.00 0.00 C ATOM 275 CD2 LEU A 16 3.457 -1.001 -4.135 1.00 0.00 C ATOM 0 H LEU A 16 1.798 -4.898 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 16 1.052 -2.624 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.295 -2.329 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.364 -3.045 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 16 1.750 -0.676 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.417 1.020 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.868 0.073 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.458 -0.257 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.446 0.004 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.488 -1.340 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.917 -1.679 -4.797 1.00 0.00 H new ATOM 287 N PHE A 17 -0.410 -1.601 -2.633 1.00 0.00 N ATOM 288 CA PHE A 17 -1.440 -1.118 -3.538 1.00 0.00 C ATOM 289 C PHE A 17 -1.029 0.209 -4.178 1.00 0.00 C ATOM 290 O PHE A 17 -0.115 0.878 -3.697 1.00 0.00 O ATOM 291 CB PHE A 17 -2.703 -0.900 -2.703 1.00 0.00 C ATOM 292 CG PHE A 17 -2.997 -2.028 -1.712 1.00 0.00 C ATOM 293 CD1 PHE A 17 -2.542 -3.285 -1.959 1.00 0.00 C ATOM 294 CD2 PHE A 17 -3.713 -1.773 -0.585 1.00 0.00 C ATOM 295 CE1 PHE A 17 -2.815 -4.332 -1.040 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.986 -2.820 0.335 1.00 0.00 C ATOM 297 CZ PHE A 17 -3.531 -4.078 0.088 1.00 0.00 C ATOM 0 H PHE A 17 -0.349 -1.097 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.602 -1.841 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.606 0.036 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.555 -0.789 -3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.973 -3.487 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.074 -0.774 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.454 -5.331 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.555 -2.617 1.231 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.738 -4.875 0.787 1.00 0.00 H new ATOM 307 N THR A 18 -1.725 0.552 -5.252 1.00 0.00 N ATOM 308 CA THR A 18 -1.444 1.789 -5.962 1.00 0.00 C ATOM 309 C THR A 18 -2.451 2.870 -5.569 1.00 0.00 C ATOM 310 O THR A 18 -3.634 2.586 -5.385 1.00 0.00 O ATOM 311 CB THR A 18 -1.436 1.481 -7.461 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.733 0.246 -7.559 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.575 2.465 -8.256 1.00 0.00 C ATOM 0 H THR A 18 -2.483 -0.005 -5.648 1.00 0.00 H new ATOM 0 HA THR A 18 -0.466 2.188 -5.692 1.00 0.00 H new ATOM 0 HB THR A 18 -2.457 1.503 -7.841 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.257 0.207 -8.415 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.604 2.202 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.961 3.476 -8.123 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.454 2.419 -7.899 1.00 0.00 H new ATOM 321 N ASN A 19 -1.946 4.090 -5.450 1.00 0.00 N ATOM 322 CA ASN A 19 -2.787 5.216 -5.082 1.00 0.00 C ATOM 323 C ASN A 19 -2.257 6.484 -5.754 1.00 0.00 C ATOM 324 O ASN A 19 -2.316 7.568 -5.176 1.00 0.00 O ATOM 325 CB ASN A 19 -2.773 5.442 -3.569 1.00 0.00 C ATOM 326 CG ASN A 19 -4.156 5.190 -2.964 1.00 0.00 C ATOM 327 OD1 ASN A 19 -4.637 5.928 -2.120 1.00 0.00 O ATOM 328 ND2 ASN A 19 -4.766 4.108 -3.441 1.00 0.00 N ATOM 0 H ASN A 19 -0.965 4.323 -5.602 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.805 4.997 -5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.043 4.779 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.458 6.463 -3.353 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.693 3.853 -3.100 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.307 3.533 -4.147 1.00 0.00 H new ATOM 335 N ASP A 20 -1.751 6.306 -6.966 1.00 0.00 N ATOM 336 CA ASP A 20 -1.211 7.423 -7.723 1.00 0.00 C ATOM 337 C ASP A 20 -0.084 8.078 -6.922 1.00 0.00 C ATOM 338 O ASP A 20 -0.081 8.030 -5.693 1.00 0.00 O ATOM 339 CB ASP A 20 -2.284 8.482 -7.983 1.00 0.00 C ATOM 340 CG ASP A 20 -1.831 9.665 -8.840 1.00 0.00 C ATOM 341 OD1 ASP A 20 -0.856 10.327 -8.424 1.00 0.00 O ATOM 342 OD2 ASP A 20 -2.469 9.881 -9.893 1.00 0.00 O ATOM 0 H ASP A 20 -1.704 5.405 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.845 7.040 -8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.134 8.004 -8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.638 8.862 -7.025 1.00 0.00 H new ATOM 347 N ILE A 21 0.846 8.676 -7.652 1.00 0.00 N ATOM 348 CA ILE A 21 1.977 9.340 -7.026 1.00 0.00 C ATOM 349 C ILE A 21 2.359 10.572 -7.849 1.00 0.00 C ATOM 350 O ILE A 21 1.998 11.694 -7.498 1.00 0.00 O ATOM 351 CB ILE A 21 3.130 8.356 -6.820 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.604 6.953 -6.509 1.00 0.00 C ATOM 353 CG2 ILE A 21 4.094 8.858 -5.743 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.396 6.148 -7.794 1.00 0.00 C ATOM 0 H ILE A 21 0.840 8.715 -8.671 1.00 0.00 H new ATOM 0 HA ILE A 21 1.708 9.692 -6.030 1.00 0.00 H new ATOM 0 HB ILE A 21 3.693 8.290 -7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.308 6.433 -5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.662 7.026 -5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.904 8.140 -5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.506 9.821 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.559 8.971 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.022 5.155 -7.545 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.673 6.659 -8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.344 6.056 -8.323 1.00 0.00 H new ATOM 366 N ALA A 22 3.085 10.320 -8.929 1.00 0.00 N ATOM 367 CA ALA A 22 3.521 11.394 -9.804 1.00 0.00 C ATOM 368 C ALA A 22 3.329 10.968 -11.261 1.00 0.00 C ATOM 369 O ALA A 22 2.285 10.426 -11.621 1.00 0.00 O ATOM 370 CB ALA A 22 4.974 11.754 -9.488 1.00 0.00 C ATOM 0 H ALA A 22 3.382 9.388 -9.217 1.00 0.00 H new ATOM 0 HA ALA A 22 2.921 12.289 -9.640 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.300 12.560 -10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.051 12.078 -8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.607 10.881 -9.643 1.00 0.00 H new ATOM 376 N SER A 23 4.353 11.229 -12.060 1.00 0.00 N ATOM 377 CA SER A 23 4.310 10.879 -13.470 1.00 0.00 C ATOM 378 C SER A 23 3.521 9.583 -13.664 1.00 0.00 C ATOM 379 O SER A 23 2.459 9.586 -14.286 1.00 0.00 O ATOM 380 CB SER A 23 5.721 10.732 -14.044 1.00 0.00 C ATOM 381 OG SER A 23 5.805 11.211 -15.383 1.00 0.00 O ATOM 0 H SER A 23 5.217 11.679 -11.758 1.00 0.00 H new ATOM 0 HA SER A 23 3.810 11.685 -14.007 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.426 11.280 -13.418 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.017 9.683 -14.015 1.00 0.00 H new ATOM 0 HG SER A 23 6.721 11.101 -15.713 1.00 0.00 H new ATOM 387 N ASN A 24 4.069 8.507 -13.120 1.00 0.00 N ATOM 388 CA ASN A 24 3.429 7.207 -13.225 1.00 0.00 C ATOM 389 C ASN A 24 2.723 6.882 -11.907 1.00 0.00 C ATOM 390 O ASN A 24 3.245 7.173 -10.832 1.00 0.00 O ATOM 391 CB ASN A 24 4.457 6.106 -13.495 1.00 0.00 C ATOM 392 CG ASN A 24 4.458 5.706 -14.971 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.425 5.484 -15.581 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.671 5.625 -15.510 1.00 0.00 N ATOM 0 H ASN A 24 4.949 8.509 -12.605 1.00 0.00 H new ATOM 0 HA ASN A 24 2.719 7.247 -14.051 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.450 6.452 -13.208 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.233 5.235 -12.879 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.777 5.364 -16.490 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.495 5.824 -14.943 1.00 0.00 H new ATOM 401 N ILE A 25 1.548 6.283 -12.034 1.00 0.00 N ATOM 402 CA ILE A 25 0.766 5.916 -10.866 1.00 0.00 C ATOM 403 C ILE A 25 1.305 4.606 -10.288 1.00 0.00 C ATOM 404 O ILE A 25 1.498 4.490 -9.078 1.00 0.00 O ATOM 405 CB ILE A 25 -0.724 5.869 -11.212 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.223 7.239 -11.675 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.543 5.328 -10.038 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.359 8.361 -11.098 1.00 0.00 C ATOM 0 H ILE A 25 1.119 6.043 -12.928 1.00 0.00 H new ATOM 0 HA ILE A 25 0.865 6.673 -10.088 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.859 5.179 -12.045 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.207 7.287 -12.764 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.259 7.377 -11.365 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.598 5.305 -10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.209 4.319 -9.795 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.406 5.974 -9.171 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.735 9.324 -11.443 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.396 8.326 -10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.671 8.234 -11.430 1.00 0.00 H new ATOM 420 N LYS A 26 1.533 3.653 -11.179 1.00 0.00 N ATOM 421 CA LYS A 26 2.046 2.355 -10.772 1.00 0.00 C ATOM 422 C LYS A 26 3.573 2.412 -10.710 1.00 0.00 C ATOM 423 O LYS A 26 4.175 1.991 -9.724 1.00 0.00 O ATOM 424 CB LYS A 26 1.508 1.255 -11.689 1.00 0.00 C ATOM 425 CG LYS A 26 2.027 1.430 -13.118 1.00 0.00 C ATOM 426 CD LYS A 26 1.079 0.782 -14.129 1.00 0.00 C ATOM 427 CE LYS A 26 0.101 1.811 -14.700 1.00 0.00 C ATOM 428 NZ LYS A 26 -0.986 1.135 -15.443 1.00 0.00 N ATOM 0 H LYS A 26 1.372 3.753 -12.181 1.00 0.00 H new ATOM 0 HA LYS A 26 1.695 2.103 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.807 0.279 -11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.418 1.277 -11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.134 2.491 -13.343 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.018 0.984 -13.206 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.655 0.334 -14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.525 -0.024 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.320 2.409 -13.892 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.630 2.497 -15.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.641 1.847 -15.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.581 0.583 -16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.501 0.499 -14.802 1.00 0.00 H new ATOM 442 N SER A 27 4.158 2.938 -11.777 1.00 0.00 N ATOM 443 CA SER A 27 5.604 3.055 -11.857 1.00 0.00 C ATOM 444 C SER A 27 6.136 3.808 -10.635 1.00 0.00 C ATOM 445 O SER A 27 6.978 3.292 -9.902 1.00 0.00 O ATOM 446 CB SER A 27 6.029 3.765 -13.144 1.00 0.00 C ATOM 447 OG SER A 27 7.113 3.101 -13.787 1.00 0.00 O ATOM 0 H SER A 27 3.656 3.288 -12.593 1.00 0.00 H new ATOM 0 HA SER A 27 6.028 2.051 -11.871 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.180 3.818 -13.826 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.317 4.791 -12.914 1.00 0.00 H new ATOM 0 HG SER A 27 7.268 3.504 -14.667 1.00 0.00 H new ATOM 453 N GLN A 28 5.621 5.015 -10.454 1.00 0.00 N ATOM 454 CA GLN A 28 6.034 5.844 -9.334 1.00 0.00 C ATOM 455 C GLN A 28 5.742 5.132 -8.011 1.00 0.00 C ATOM 456 O GLN A 28 6.590 5.096 -7.121 1.00 0.00 O ATOM 457 CB GLN A 28 5.350 7.212 -9.382 1.00 0.00 C ATOM 458 CG GLN A 28 5.760 8.073 -8.186 1.00 0.00 C ATOM 459 CD GLN A 28 7.283 8.189 -8.091 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.812 7.540 -7.057 1.00 0.00 O flip ATOM 461 NE2 GLN A 28 7.935 8.826 -8.902 1.00 0.00 N flip ATOM 0 H GLN A 28 4.922 5.439 -11.064 1.00 0.00 H new ATOM 0 HA GLN A 28 7.109 6.009 -9.407 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.613 7.722 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.268 7.081 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.321 9.066 -8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.367 7.637 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.466 9.301 -9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.949 8.883 -8.809 1.00 0.00 H new ATOM 470 N LYS A 29 4.540 4.583 -7.924 1.00 0.00 N ATOM 471 CA LYS A 29 4.126 3.874 -6.725 1.00 0.00 C ATOM 472 C LYS A 29 5.341 3.187 -6.099 1.00 0.00 C ATOM 473 O LYS A 29 6.092 3.809 -5.350 1.00 0.00 O ATOM 474 CB LYS A 29 2.973 2.918 -7.039 1.00 0.00 C ATOM 475 CG LYS A 29 2.697 1.985 -5.858 1.00 0.00 C ATOM 476 CD LYS A 29 1.587 0.988 -6.195 1.00 0.00 C ATOM 477 CE LYS A 29 2.121 -0.158 -7.057 1.00 0.00 C ATOM 478 NZ LYS A 29 1.181 -1.301 -7.041 1.00 0.00 N ATOM 0 H LYS A 29 3.839 4.615 -8.664 1.00 0.00 H new ATOM 0 HA LYS A 29 3.737 4.573 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.075 3.490 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.215 2.329 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.607 1.446 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.411 2.572 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.161 0.588 -5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.782 1.500 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.266 0.187 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.096 -0.476 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.210 -1.787 -7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.455 -1.965 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.217 -0.955 -6.862 1.00 0.00 H new ATOM 492 N CYS A 30 5.496 1.913 -6.428 1.00 0.00 N ATOM 493 CA CYS A 30 6.607 1.135 -5.907 1.00 0.00 C ATOM 494 C CYS A 30 7.709 1.101 -6.968 1.00 0.00 C ATOM 495 O CYS A 30 8.890 1.219 -6.646 1.00 0.00 O ATOM 496 CB CYS A 30 6.168 -0.271 -5.494 1.00 0.00 C ATOM 497 SG CYS A 30 6.400 -0.495 -3.692 1.00 0.00 S ATOM 0 H CYS A 30 4.870 1.400 -7.049 1.00 0.00 H new ATOM 0 HA CYS A 30 6.991 1.605 -5.001 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.121 -0.426 -5.756 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.747 -1.017 -6.039 1.00 0.00 H new ATOM 0 HG CYS A 30 6.627 -1.749 -3.436 1.00 0.00 H new ATOM 503 N LEU A 31 7.283 0.938 -8.213 1.00 0.00 N ATOM 504 CA LEU A 31 8.218 0.886 -9.323 1.00 0.00 C ATOM 505 C LEU A 31 9.349 1.888 -9.079 1.00 0.00 C ATOM 506 O LEU A 31 10.519 1.573 -9.294 1.00 0.00 O ATOM 507 CB LEU A 31 7.487 1.097 -10.650 1.00 0.00 C ATOM 508 CG LEU A 31 7.408 -0.121 -11.573 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.671 -0.977 -11.460 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.139 -0.933 -11.304 1.00 0.00 C ATOM 0 H LEU A 31 6.302 0.840 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 31 8.674 -0.102 -9.390 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.472 1.431 -10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.980 1.905 -11.189 1.00 0.00 H new ATOM 0 HG LEU A 31 7.350 0.234 -12.602 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.589 -1.836 -12.126 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.540 -0.382 -11.740 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.785 -1.324 -10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.108 -1.793 -11.974 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.140 -1.278 -10.270 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.263 -0.307 -11.476 1.00 0.00 H new ATOM 522 N GLN A 32 8.960 3.073 -8.632 1.00 0.00 N ATOM 523 CA GLN A 32 9.927 4.122 -8.356 1.00 0.00 C ATOM 524 C GLN A 32 10.482 3.973 -6.938 1.00 0.00 C ATOM 525 O GLN A 32 11.649 4.271 -6.690 1.00 0.00 O ATOM 526 CB GLN A 32 9.307 5.506 -8.560 1.00 0.00 C ATOM 527 CG GLN A 32 9.161 5.828 -10.048 1.00 0.00 C ATOM 528 CD GLN A 32 10.520 5.803 -10.750 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.550 6.121 -10.178 1.00 0.00 O ATOM 530 NE2 GLN A 32 10.467 5.406 -12.019 1.00 0.00 N ATOM 0 H GLN A 32 7.989 3.330 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 32 10.753 4.023 -9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.330 5.545 -8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.929 6.261 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.492 5.106 -10.516 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.704 6.810 -10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.572 5.154 -12.437 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.322 5.354 -12.573 1.00 0.00 H new ATOM 539 N LEU A 33 9.619 3.512 -6.045 1.00 0.00 N ATOM 540 CA LEU A 33 10.008 3.320 -4.658 1.00 0.00 C ATOM 541 C LEU A 33 11.113 2.264 -4.585 1.00 0.00 C ATOM 542 O LEU A 33 12.132 2.472 -3.928 1.00 0.00 O ATOM 543 CB LEU A 33 8.786 2.992 -3.799 1.00 0.00 C ATOM 544 CG LEU A 33 8.930 3.255 -2.299 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.178 2.202 -1.482 1.00 0.00 C ATOM 546 CD2 LEU A 33 10.404 3.347 -1.897 1.00 0.00 C ATOM 0 H LEU A 33 8.652 3.266 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 33 10.419 4.242 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.940 3.571 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.539 1.940 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 33 8.475 4.220 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.297 2.413 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.120 2.228 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.581 1.214 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.478 3.534 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.906 2.410 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.879 4.163 -2.442 1.00 0.00 H new ATOM 558 N LEU A 34 10.873 1.155 -5.268 1.00 0.00 N ATOM 559 CA LEU A 34 11.835 0.066 -5.288 1.00 0.00 C ATOM 560 C LEU A 34 12.797 0.263 -6.462 1.00 0.00 C ATOM 561 O LEU A 34 13.778 -0.468 -6.595 1.00 0.00 O ATOM 562 CB LEU A 34 11.116 -1.285 -5.303 1.00 0.00 C ATOM 563 CG LEU A 34 9.612 -1.240 -5.581 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.331 -1.267 -7.084 1.00 0.00 C ATOM 565 CD2 LEU A 34 8.885 -2.366 -4.842 1.00 0.00 C ATOM 0 H LEU A 34 10.027 0.987 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 34 12.435 0.072 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.586 -1.916 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.273 -1.769 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 34 9.222 -0.297 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.255 -1.234 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.799 -0.404 -7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.738 -2.182 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.818 -2.312 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.273 -3.329 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.046 -2.260 -3.769 1.00 0.00 H new ATOM 577 N LYS A 35 12.483 1.254 -7.283 1.00 0.00 N ATOM 578 CA LYS A 35 13.307 1.556 -8.441 1.00 0.00 C ATOM 579 C LYS A 35 14.773 1.643 -8.010 1.00 0.00 C ATOM 580 O LYS A 35 15.665 1.215 -8.741 1.00 0.00 O ATOM 581 CB LYS A 35 12.798 2.815 -9.147 1.00 0.00 C ATOM 582 CG LYS A 35 13.953 3.589 -9.786 1.00 0.00 C ATOM 583 CD LYS A 35 14.529 2.826 -10.980 1.00 0.00 C ATOM 584 CE LYS A 35 15.562 3.674 -11.726 1.00 0.00 C ATOM 585 NZ LYS A 35 16.925 3.138 -11.513 1.00 0.00 N ATOM 0 H LYS A 35 11.669 1.858 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 35 13.238 0.755 -9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.073 2.539 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.279 3.453 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.603 4.569 -10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.735 3.758 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.992 1.901 -10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.724 2.546 -11.660 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.331 3.684 -12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.513 4.706 -11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.613 3.725 -12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.148 3.151 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.973 2.161 -11.866 1.00 0.00 H new ATOM 599 N GLY A 36 14.976 2.199 -6.824 1.00 0.00 N ATOM 600 CA GLY A 36 16.318 2.347 -6.287 1.00 0.00 C ATOM 601 C GLY A 36 17.096 1.033 -6.387 1.00 0.00 C ATOM 602 O GLY A 36 17.691 0.736 -7.422 1.00 0.00 O ATOM 0 H GLY A 36 14.234 2.552 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.847 3.129 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.264 2.664 -5.245 1.00 0.00 H new ATOM 606 N ASP A 37 17.067 0.281 -5.296 1.00 0.00 N ATOM 607 CA ASP A 37 17.762 -0.994 -5.247 1.00 0.00 C ATOM 608 C ASP A 37 16.842 -2.092 -5.783 1.00 0.00 C ATOM 609 O ASP A 37 15.635 -1.889 -5.911 1.00 0.00 O ATOM 610 CB ASP A 37 18.146 -1.357 -3.811 1.00 0.00 C ATOM 611 CG ASP A 37 19.557 -0.936 -3.393 1.00 0.00 C ATOM 612 OD1 ASP A 37 20.495 -1.263 -4.152 1.00 0.00 O ATOM 613 OD2 ASP A 37 19.665 -0.297 -2.325 1.00 0.00 O ATOM 0 H ASP A 37 16.573 0.531 -4.439 1.00 0.00 H new ATOM 0 HA ASP A 37 18.665 -0.909 -5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.429 -0.896 -3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.053 -2.436 -3.688 1.00 0.00 H new ATOM 618 N VAL A 38 17.446 -3.233 -6.080 1.00 0.00 N ATOM 619 CA VAL A 38 16.696 -4.364 -6.599 1.00 0.00 C ATOM 620 C VAL A 38 17.656 -5.522 -6.880 1.00 0.00 C ATOM 621 O VAL A 38 18.789 -5.304 -7.306 1.00 0.00 O ATOM 622 CB VAL A 38 15.894 -3.940 -7.831 1.00 0.00 C ATOM 623 CG1 VAL A 38 16.601 -4.368 -9.119 1.00 0.00 C ATOM 624 CG2 VAL A 38 14.470 -4.496 -7.777 1.00 0.00 C ATOM 0 H VAL A 38 18.447 -3.399 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 38 15.973 -4.713 -5.862 1.00 0.00 H new ATOM 0 HB VAL A 38 15.829 -2.852 -7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.010 -4.055 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.585 -3.902 -9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.712 -5.452 -9.130 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.922 -4.180 -8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.506 -5.585 -7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.966 -4.120 -6.886 1.00 0.00 H new ATOM 634 N SER A 39 17.168 -6.728 -6.630 1.00 0.00 N ATOM 635 CA SER A 39 17.968 -7.920 -6.851 1.00 0.00 C ATOM 636 C SER A 39 17.581 -9.005 -5.843 1.00 0.00 C ATOM 637 O SER A 39 17.484 -8.739 -4.646 1.00 0.00 O ATOM 638 CB SER A 39 19.462 -7.608 -6.745 1.00 0.00 C ATOM 639 OG SER A 39 19.748 -6.727 -5.662 1.00 0.00 O ATOM 0 H SER A 39 16.228 -6.905 -6.276 1.00 0.00 H new ATOM 0 HA SER A 39 17.770 -8.282 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.018 -8.536 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.806 -7.160 -7.677 1.00 0.00 H new ATOM 0 HG SER A 39 19.910 -5.825 -6.008 1.00 0.00 H new ATOM 645 N HIS A 40 17.369 -10.204 -6.366 1.00 0.00 N ATOM 646 CA HIS A 40 16.994 -11.330 -5.527 1.00 0.00 C ATOM 647 C HIS A 40 16.130 -10.838 -4.364 1.00 0.00 C ATOM 648 O HIS A 40 15.186 -10.076 -4.566 1.00 0.00 O ATOM 649 CB HIS A 40 18.233 -12.098 -5.062 1.00 0.00 C ATOM 650 CG HIS A 40 19.202 -12.430 -6.172 1.00 0.00 C ATOM 651 ND1 HIS A 40 20.498 -12.851 -5.934 1.00 0.00 N ATOM 652 CD2 HIS A 40 19.049 -12.399 -7.527 1.00 0.00 C ATOM 653 CE1 HIS A 40 21.091 -13.061 -7.101 1.00 0.00 C ATOM 654 NE2 HIS A 40 20.191 -12.779 -8.087 1.00 0.00 N ATOM 0 H HIS A 40 17.450 -10.420 -7.360 1.00 0.00 H new ATOM 0 HA HIS A 40 16.397 -12.035 -6.105 1.00 0.00 H new ATOM 0 HB2 HIS A 40 18.751 -11.508 -4.306 1.00 0.00 H new ATOM 0 HB3 HIS A 40 17.915 -13.024 -4.582 1.00 0.00 H new ATOM 0 HD2 HIS A 40 18.151 -12.114 -8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 40 22.107 -13.396 -7.246 1.00 0.00 H new ATOM 0 HE2 HIS A 40 20.367 -12.849 -9.089 1.00 0.00 H new ATOM 662 N ARG A 41 16.485 -11.294 -3.172 1.00 0.00 N ATOM 663 CA ARG A 41 15.754 -10.910 -1.976 1.00 0.00 C ATOM 664 C ARG A 41 14.313 -11.418 -2.049 1.00 0.00 C ATOM 665 O ARG A 41 14.052 -12.478 -2.615 1.00 0.00 O ATOM 666 CB ARG A 41 15.744 -9.391 -1.800 1.00 0.00 C ATOM 667 CG ARG A 41 16.935 -8.928 -0.959 1.00 0.00 C ATOM 668 CD ARG A 41 18.258 -9.334 -1.611 1.00 0.00 C ATOM 669 NE ARG A 41 19.394 -8.826 -0.810 1.00 0.00 N ATOM 670 CZ ARG A 41 20.680 -9.089 -1.079 1.00 0.00 C ATOM 671 NH1 ARG A 41 21.002 -9.856 -2.129 1.00 0.00 N ATOM 672 NH2 ARG A 41 21.645 -8.585 -0.297 1.00 0.00 N ATOM 0 H ARG A 41 17.269 -11.926 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 41 16.258 -11.359 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.774 -8.908 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.815 -9.083 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.901 -7.845 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.870 -9.361 0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.315 -10.420 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.310 -8.936 -2.625 1.00 0.00 H new ATOM 0 HE ARG A 41 19.185 -8.239 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 41 20.268 -10.240 -2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.981 -10.056 -2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 41 21.400 -8.001 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.624 -8.785 -0.502 1.00 0.00 H new ATOM 686 N PHE A 42 13.414 -10.636 -1.468 1.00 0.00 N ATOM 687 CA PHE A 42 12.005 -10.993 -1.461 1.00 0.00 C ATOM 688 C PHE A 42 11.322 -10.557 -2.758 1.00 0.00 C ATOM 689 O PHE A 42 11.922 -9.862 -3.577 1.00 0.00 O ATOM 690 CB PHE A 42 11.363 -10.253 -0.286 1.00 0.00 C ATOM 691 CG PHE A 42 11.261 -8.739 -0.485 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.001 -8.129 -1.449 1.00 0.00 C ATOM 693 CD2 PHE A 42 10.430 -8.004 0.302 1.00 0.00 C ATOM 694 CE1 PHE A 42 11.907 -6.724 -1.633 1.00 0.00 C ATOM 695 CE2 PHE A 42 10.336 -6.600 0.117 1.00 0.00 C ATOM 696 CZ PHE A 42 11.076 -5.989 -0.846 1.00 0.00 C ATOM 0 H PHE A 42 13.634 -9.757 -0.999 1.00 0.00 H new ATOM 0 HA PHE A 42 11.895 -12.074 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.364 -10.655 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.942 -10.452 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.660 -8.713 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.842 -8.489 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.495 -6.239 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.676 -6.016 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.004 -4.921 -0.986 1.00 0.00 H new ATOM 706 N ASP A 43 10.076 -10.983 -2.906 1.00 0.00 N ATOM 707 CA ASP A 43 9.305 -10.645 -4.090 1.00 0.00 C ATOM 708 C ASP A 43 8.333 -9.513 -3.754 1.00 0.00 C ATOM 709 O ASP A 43 7.493 -9.654 -2.866 1.00 0.00 O ATOM 710 CB ASP A 43 8.486 -11.843 -4.574 1.00 0.00 C ATOM 711 CG ASP A 43 9.019 -12.524 -5.837 1.00 0.00 C ATOM 712 OD1 ASP A 43 10.235 -12.378 -6.089 1.00 0.00 O ATOM 713 OD2 ASP A 43 8.200 -13.173 -6.521 1.00 0.00 O ATOM 0 H ASP A 43 9.581 -11.559 -2.225 1.00 0.00 H new ATOM 0 HA ASP A 43 10.002 -10.345 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.441 -12.581 -3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.464 -11.513 -4.761 1.00 0.00 H new ATOM 718 N VAL A 44 8.479 -8.415 -4.481 1.00 0.00 N ATOM 719 CA VAL A 44 7.624 -7.259 -4.271 1.00 0.00 C ATOM 720 C VAL A 44 6.389 -7.374 -5.167 1.00 0.00 C ATOM 721 O VAL A 44 6.492 -7.780 -6.323 1.00 0.00 O ATOM 722 CB VAL A 44 8.417 -5.972 -4.508 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.645 -4.751 -4.004 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.800 -6.053 -3.860 1.00 0.00 C ATOM 0 H VAL A 44 9.177 -8.301 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 44 7.275 -7.224 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 44 8.557 -5.858 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.231 -3.850 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.695 -4.678 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.459 -4.854 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.343 -5.126 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.690 -6.203 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.354 -6.888 -4.288 1.00 0.00 H new ATOM 734 N GLU A 45 5.249 -7.009 -4.598 1.00 0.00 N ATOM 735 CA GLU A 45 3.996 -7.066 -5.331 1.00 0.00 C ATOM 736 C GLU A 45 3.488 -5.653 -5.625 1.00 0.00 C ATOM 737 O GLU A 45 3.152 -4.907 -4.707 1.00 0.00 O ATOM 738 CB GLU A 45 2.949 -7.876 -4.563 1.00 0.00 C ATOM 739 CG GLU A 45 2.247 -8.877 -5.483 1.00 0.00 C ATOM 740 CD GLU A 45 2.251 -10.280 -4.872 1.00 0.00 C ATOM 741 OE1 GLU A 45 1.335 -10.549 -4.065 1.00 0.00 O ATOM 742 OE2 GLU A 45 3.169 -11.051 -5.226 1.00 0.00 O ATOM 0 H GLU A 45 5.167 -6.673 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 45 4.175 -7.571 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.427 -8.407 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.213 -7.202 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.220 -8.556 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.745 -8.897 -6.452 1.00 0.00 H new ATOM 749 N ILE A 46 3.448 -5.329 -6.909 1.00 0.00 N ATOM 750 CA ILE A 46 2.988 -4.019 -7.336 1.00 0.00 C ATOM 751 C ILE A 46 1.638 -4.163 -8.042 1.00 0.00 C ATOM 752 O ILE A 46 1.578 -4.582 -9.197 1.00 0.00 O ATOM 753 CB ILE A 46 4.055 -3.326 -8.186 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.317 -3.054 -7.366 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.503 -2.052 -8.828 1.00 0.00 C ATOM 756 CD1 ILE A 46 6.021 -4.361 -6.994 1.00 0.00 C ATOM 0 H ILE A 46 3.727 -5.951 -7.668 1.00 0.00 H new ATOM 0 HA ILE A 46 2.831 -3.371 -6.474 1.00 0.00 H new ATOM 0 HB ILE A 46 4.336 -3.999 -8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.996 -2.420 -7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.056 -2.507 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.282 -1.579 -9.426 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.657 -2.304 -9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.177 -1.364 -8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.915 -4.140 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.347 -4.982 -6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.303 -4.894 -7.902 1.00 0.00 H new ATOM 768 N ALA A 47 0.587 -3.808 -7.318 1.00 0.00 N ATOM 769 CA ALA A 47 -0.759 -3.892 -7.860 1.00 0.00 C ATOM 770 C ALA A 47 -1.558 -2.662 -7.424 1.00 0.00 C ATOM 771 O ALA A 47 -1.423 -2.198 -6.293 1.00 0.00 O ATOM 772 CB ALA A 47 -1.411 -5.201 -7.407 1.00 0.00 C ATOM 0 H ALA A 47 0.640 -3.461 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.734 -3.900 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.420 -5.264 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.822 -6.045 -7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.456 -5.227 -6.318 1.00 0.00 H new ATOM 778 N ASN A 48 -2.372 -2.169 -8.346 1.00 0.00 N ATOM 779 CA ASN A 48 -3.193 -1.001 -8.071 1.00 0.00 C ATOM 780 C ASN A 48 -4.622 -1.450 -7.760 1.00 0.00 C ATOM 781 O ASN A 48 -5.275 -2.076 -8.594 1.00 0.00 O ATOM 782 CB ASN A 48 -3.243 -0.067 -9.281 1.00 0.00 C ATOM 783 CG ASN A 48 -3.661 -0.825 -10.543 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.809 -1.198 -10.722 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.669 -1.032 -11.404 1.00 0.00 N ATOM 0 H ASN A 48 -2.481 -2.556 -9.283 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.755 -0.472 -7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.946 0.744 -9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.265 0.389 -9.434 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.846 -1.530 -12.276 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.731 -0.693 -11.192 1.00 0.00 H new ATOM 792 N ARG A 49 -5.066 -1.112 -6.559 1.00 0.00 N ATOM 793 CA ARG A 49 -6.406 -1.471 -6.127 1.00 0.00 C ATOM 794 C ARG A 49 -6.759 -0.743 -4.829 1.00 0.00 C ATOM 795 O ARG A 49 -5.873 -0.305 -4.098 1.00 0.00 O ATOM 796 CB ARG A 49 -6.527 -2.981 -5.906 1.00 0.00 C ATOM 797 CG ARG A 49 -7.932 -3.475 -6.254 1.00 0.00 C ATOM 798 CD ARG A 49 -8.090 -3.658 -7.765 1.00 0.00 C ATOM 799 NE ARG A 49 -8.099 -5.099 -8.103 1.00 0.00 N ATOM 800 CZ ARG A 49 -8.147 -5.577 -9.353 1.00 0.00 C ATOM 801 NH1 ARG A 49 -8.191 -4.733 -10.393 1.00 0.00 N ATOM 802 NH2 ARG A 49 -8.151 -6.900 -9.565 1.00 0.00 N ATOM 0 H ARG A 49 -4.521 -0.593 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.099 -1.173 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.792 -3.502 -6.520 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.301 -3.219 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.125 -4.421 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.672 -2.762 -5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.016 -3.192 -8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.274 -3.159 -8.287 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.067 -5.770 -7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.188 -3.726 -10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.228 -5.098 -11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.118 -7.543 -8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.188 -7.264 -10.517 1.00 0.00 H new ATOM 816 N PHE A 50 -8.057 -0.635 -4.583 1.00 0.00 N ATOM 817 CA PHE A 50 -8.538 0.033 -3.385 1.00 0.00 C ATOM 818 C PHE A 50 -8.460 -0.895 -2.171 1.00 0.00 C ATOM 819 O PHE A 50 -8.802 -2.073 -2.262 1.00 0.00 O ATOM 820 CB PHE A 50 -10.002 0.402 -3.637 1.00 0.00 C ATOM 821 CG PHE A 50 -10.587 1.365 -2.603 1.00 0.00 C ATOM 822 CD1 PHE A 50 -9.921 2.507 -2.284 1.00 0.00 C ATOM 823 CD2 PHE A 50 -11.774 1.080 -2.002 1.00 0.00 C ATOM 824 CE1 PHE A 50 -10.464 3.402 -1.324 1.00 0.00 C ATOM 825 CE2 PHE A 50 -12.317 1.974 -1.043 1.00 0.00 C ATOM 826 CZ PHE A 50 -11.651 3.116 -0.724 1.00 0.00 C ATOM 0 H PHE A 50 -8.790 -0.999 -5.192 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.927 0.911 -3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.088 0.851 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.599 -0.510 -3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.979 2.733 -2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.303 0.173 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.935 4.309 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.259 1.747 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.065 3.796 0.006 1.00 0.00 H new ATOM 836 N PRO A 51 -7.995 -0.313 -1.033 1.00 0.00 N ATOM 837 CA PRO A 51 -7.868 -1.074 0.198 1.00 0.00 C ATOM 838 C PRO A 51 -9.236 -1.315 0.839 1.00 0.00 C ATOM 839 O PRO A 51 -9.478 -0.899 1.971 1.00 0.00 O ATOM 840 CB PRO A 51 -6.938 -0.251 1.075 1.00 0.00 C ATOM 841 CG PRO A 51 -6.951 1.153 0.493 1.00 0.00 C ATOM 842 CD PRO A 51 -7.581 1.079 -0.888 1.00 0.00 C ATOM 0 HA PRO A 51 -7.461 -2.072 0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.279 -0.248 2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.930 -0.666 1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.517 1.827 1.135 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.938 1.549 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.431 1.756 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.870 1.363 -1.663 1.00 0.00 H new ATOM 850 N THR A 52 -10.097 -1.984 0.086 1.00 0.00 N ATOM 851 CA THR A 52 -11.435 -2.285 0.566 1.00 0.00 C ATOM 852 C THR A 52 -11.368 -3.053 1.887 1.00 0.00 C ATOM 853 O THR A 52 -10.628 -4.029 2.005 1.00 0.00 O ATOM 854 CB THR A 52 -12.175 -3.042 -0.539 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.213 -3.973 -1.026 1.00 0.00 O ATOM 856 CG2 THR A 52 -12.482 -2.157 -1.749 1.00 0.00 C ATOM 0 H THR A 52 -9.894 -2.326 -0.853 1.00 0.00 H new ATOM 0 HA THR A 52 -11.991 -1.373 0.784 1.00 0.00 H new ATOM 0 HB THR A 52 -13.105 -3.449 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.610 -4.507 -1.745 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.007 -2.742 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.107 -1.320 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.550 -1.777 -2.168 1.00 0.00 H new ATOM 864 N TRP A 53 -12.149 -2.583 2.848 1.00 0.00 N ATOM 865 CA TRP A 53 -12.188 -3.213 4.157 1.00 0.00 C ATOM 866 C TRP A 53 -12.432 -4.710 3.954 1.00 0.00 C ATOM 867 O TRP A 53 -12.070 -5.523 4.804 1.00 0.00 O ATOM 868 CB TRP A 53 -13.237 -2.553 5.053 1.00 0.00 C ATOM 869 CG TRP A 53 -13.013 -2.785 6.549 1.00 0.00 C ATOM 870 CD1 TRP A 53 -12.885 -3.953 7.192 1.00 0.00 C ATOM 871 CD2 TRP A 53 -12.896 -1.770 7.569 1.00 0.00 C ATOM 872 NE1 TRP A 53 -12.694 -3.767 8.546 1.00 0.00 N ATOM 873 CE2 TRP A 53 -12.701 -2.398 8.782 1.00 0.00 C ATOM 874 CE3 TRP A 53 -12.953 -0.369 7.469 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -12.548 -1.703 9.988 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -12.798 0.311 8.683 1.00 0.00 C ATOM 877 CH2 TRP A 53 -12.601 -0.306 9.913 1.00 0.00 C ATOM 0 H TRP A 53 -12.760 -1.773 2.746 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.239 -3.082 4.676 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.243 -1.480 4.859 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -14.222 -2.931 4.781 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -12.926 -4.919 6.711 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -12.570 -4.500 9.245 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -13.104 0.142 6.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -12.397 -2.217 10.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -12.834 1.390 8.662 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -12.489 0.290 10.807 1.00 0.00 H new ATOM 888 N ASP A 54 -13.045 -5.029 2.824 1.00 0.00 N ATOM 889 CA ASP A 54 -13.342 -6.414 2.498 1.00 0.00 C ATOM 890 C ASP A 54 -12.081 -7.259 2.687 1.00 0.00 C ATOM 891 O ASP A 54 -12.049 -8.153 3.531 1.00 0.00 O ATOM 892 CB ASP A 54 -13.792 -6.553 1.043 1.00 0.00 C ATOM 893 CG ASP A 54 -15.144 -7.243 0.847 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.896 -7.310 1.843 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.394 -7.687 -0.295 1.00 0.00 O ATOM 0 H ASP A 54 -13.344 -4.352 2.122 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.143 -6.752 3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.840 -5.560 0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.033 -7.112 0.496 1.00 0.00 H new ATOM 900 N GLN A 55 -11.073 -6.947 1.886 1.00 0.00 N ATOM 901 CA GLN A 55 -9.812 -7.666 1.954 1.00 0.00 C ATOM 902 C GLN A 55 -8.901 -7.042 3.013 1.00 0.00 C ATOM 903 O GLN A 55 -8.100 -7.738 3.636 1.00 0.00 O ATOM 904 CB GLN A 55 -9.124 -7.698 0.588 1.00 0.00 C ATOM 905 CG GLN A 55 -9.759 -8.752 -0.322 1.00 0.00 C ATOM 906 CD GLN A 55 -9.522 -8.418 -1.796 1.00 0.00 C ATOM 907 OE1 GLN A 55 -8.405 -8.421 -2.288 1.00 0.00 O ATOM 908 NE2 GLN A 55 -10.631 -8.132 -2.472 1.00 0.00 N ATOM 0 H GLN A 55 -11.104 -6.206 1.186 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.019 -8.696 2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.195 -6.717 0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.063 -7.914 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.340 -9.733 -0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.830 -8.809 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.535 -8.148 -1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.578 -7.897 -3.463 1.00 0.00 H new ATOM 917 N LEU A 56 -9.053 -5.737 3.183 1.00 0.00 N ATOM 918 CA LEU A 56 -8.253 -5.011 4.155 1.00 0.00 C ATOM 919 C LEU A 56 -8.495 -5.598 5.548 1.00 0.00 C ATOM 920 O LEU A 56 -7.636 -5.502 6.423 1.00 0.00 O ATOM 921 CB LEU A 56 -8.531 -3.510 4.064 1.00 0.00 C ATOM 922 CG LEU A 56 -8.469 -2.734 5.382 1.00 0.00 C ATOM 923 CD1 LEU A 56 -8.674 -1.237 5.147 1.00 0.00 C ATOM 924 CD2 LEU A 56 -9.466 -3.297 6.397 1.00 0.00 C ATOM 0 H LEU A 56 -9.718 -5.164 2.664 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.191 -5.128 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.813 -3.069 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.521 -3.370 3.629 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.473 -2.860 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.625 -0.709 6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.894 -0.863 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.649 -1.071 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.402 -2.728 7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.476 -3.222 5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.231 -4.343 6.596 1.00 0.00 H new ATOM 936 N GLN A 57 -9.668 -6.192 5.709 1.00 0.00 N ATOM 937 CA GLN A 57 -10.033 -6.794 6.980 1.00 0.00 C ATOM 938 C GLN A 57 -8.839 -7.541 7.576 1.00 0.00 C ATOM 939 O GLN A 57 -8.668 -7.574 8.794 1.00 0.00 O ATOM 940 CB GLN A 57 -11.237 -7.725 6.820 1.00 0.00 C ATOM 941 CG GLN A 57 -10.802 -9.102 6.316 1.00 0.00 C ATOM 942 CD GLN A 57 -10.504 -10.044 7.485 1.00 0.00 C ATOM 943 OE1 GLN A 57 -10.074 -9.635 8.551 1.00 0.00 O ATOM 944 NE2 GLN A 57 -10.755 -11.324 7.226 1.00 0.00 N ATOM 0 H GLN A 57 -10.378 -6.269 4.981 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.319 -5.998 7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.750 -7.829 7.776 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.950 -7.287 6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.586 -9.529 5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.915 -9.001 5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.114 -11.598 6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.588 -12.031 7.942 1.00 0.00 H new ATOM 953 N TYR A 58 -8.042 -8.122 6.691 1.00 0.00 N ATOM 954 CA TYR A 58 -6.869 -8.866 7.115 1.00 0.00 C ATOM 955 C TYR A 58 -5.749 -7.920 7.555 1.00 0.00 C ATOM 956 O TYR A 58 -5.110 -8.144 8.582 1.00 0.00 O ATOM 957 CB TYR A 58 -6.403 -9.653 5.888 1.00 0.00 C ATOM 958 CG TYR A 58 -7.399 -10.713 5.414 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.822 -11.700 6.282 1.00 0.00 C ATOM 960 CD2 TYR A 58 -7.875 -10.683 4.119 1.00 0.00 C ATOM 961 CE1 TYR A 58 -8.759 -12.698 5.835 1.00 0.00 C ATOM 962 CE2 TYR A 58 -8.812 -11.681 3.673 1.00 0.00 C ATOM 963 CZ TYR A 58 -9.208 -12.639 4.553 1.00 0.00 C ATOM 964 OH TYR A 58 -10.094 -13.581 4.131 1.00 0.00 O ATOM 0 H TYR A 58 -8.186 -8.092 5.682 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.109 -9.512 7.960 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.214 -8.956 5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.454 -10.138 6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.450 -11.724 7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.545 -9.911 3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.098 -13.476 6.503 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.192 -11.669 2.662 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.328 -13.414 3.194 1.00 0.00 H new ATOM 974 N MET A 59 -5.546 -6.884 6.755 1.00 0.00 N ATOM 975 CA MET A 59 -4.514 -5.903 7.049 1.00 0.00 C ATOM 976 C MET A 59 -4.903 -5.043 8.253 1.00 0.00 C ATOM 977 O MET A 59 -4.039 -4.603 9.010 1.00 0.00 O ATOM 978 CB MET A 59 -4.300 -5.006 5.828 1.00 0.00 C ATOM 979 CG MET A 59 -3.094 -5.473 5.010 1.00 0.00 C ATOM 980 SD MET A 59 -3.095 -7.253 4.883 1.00 0.00 S ATOM 981 CE MET A 59 -1.382 -7.535 4.465 1.00 0.00 C ATOM 0 H MET A 59 -6.078 -6.702 5.904 1.00 0.00 H new ATOM 0 HA MET A 59 -3.592 -6.433 7.288 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.193 -5.016 5.204 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.148 -3.976 6.151 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.125 -5.029 4.015 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.171 -5.134 5.481 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.997 -8.370 5.050 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.300 -7.768 3.403 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.801 -6.639 4.686 1.00 0.00 H new ATOM 991 N ARG A 60 -6.203 -4.829 8.392 1.00 0.00 N ATOM 992 CA ARG A 60 -6.716 -4.029 9.491 1.00 0.00 C ATOM 993 C ARG A 60 -6.241 -4.598 10.829 1.00 0.00 C ATOM 994 O ARG A 60 -5.832 -3.849 11.716 1.00 0.00 O ATOM 995 CB ARG A 60 -8.246 -3.989 9.476 1.00 0.00 C ATOM 996 CG ARG A 60 -8.814 -4.227 10.876 1.00 0.00 C ATOM 997 CD ARG A 60 -8.377 -3.121 11.840 1.00 0.00 C ATOM 998 NE ARG A 60 -7.886 -3.716 13.103 1.00 0.00 N ATOM 999 CZ ARG A 60 -8.682 -4.109 14.107 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -10.010 -3.972 14.002 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -8.148 -4.638 15.217 1.00 0.00 N ATOM 0 H ARG A 60 -6.916 -5.196 7.762 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.336 -3.015 9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.584 -3.023 9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.627 -4.747 8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.902 -4.265 10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.477 -5.194 11.250 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.592 -2.518 11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.214 -2.453 12.044 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.879 -3.834 13.216 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.416 -3.568 13.158 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.616 -4.271 14.766 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.136 -4.741 15.297 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.753 -4.937 15.981 1.00 0.00 H new ATOM 1015 N THR A 61 -6.310 -5.917 10.933 1.00 0.00 N ATOM 1016 CA THR A 61 -5.891 -6.595 12.148 1.00 0.00 C ATOM 1017 C THR A 61 -4.379 -6.461 12.340 1.00 0.00 C ATOM 1018 O THR A 61 -3.915 -6.139 13.432 1.00 0.00 O ATOM 1019 CB THR A 61 -6.367 -8.047 12.067 1.00 0.00 C ATOM 1020 OG1 THR A 61 -6.409 -8.321 10.669 1.00 0.00 O ATOM 1021 CG2 THR A 61 -7.818 -8.214 12.523 1.00 0.00 C ATOM 0 H THR A 61 -6.650 -6.534 10.196 1.00 0.00 H new ATOM 0 HA THR A 61 -6.340 -6.139 13.030 1.00 0.00 H new ATOM 0 HB THR A 61 -5.720 -8.676 12.679 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.519 -8.184 10.282 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.105 -9.263 12.446 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.914 -7.887 13.558 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.470 -7.612 11.890 1.00 0.00 H new ATOM 1029 N SER A 62 -3.653 -6.714 11.261 1.00 0.00 N ATOM 1030 CA SER A 62 -2.203 -6.626 11.296 1.00 0.00 C ATOM 1031 C SER A 62 -1.759 -5.192 11.000 1.00 0.00 C ATOM 1032 O SER A 62 -0.856 -4.972 10.195 1.00 0.00 O ATOM 1033 CB SER A 62 -1.568 -7.595 10.298 1.00 0.00 C ATOM 1034 OG SER A 62 -2.324 -8.795 10.163 1.00 0.00 O ATOM 0 H SER A 62 -4.042 -6.980 10.356 1.00 0.00 H new ATOM 0 HA SER A 62 -1.867 -6.905 12.295 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.482 -7.109 9.326 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.556 -7.839 10.623 1.00 0.00 H new ATOM 0 HG SER A 62 -3.138 -8.613 9.649 1.00 0.00 H new ATOM 1040 N CYS A 63 -2.415 -4.253 11.668 1.00 0.00 N ATOM 1041 CA CYS A 63 -2.098 -2.847 11.486 1.00 0.00 C ATOM 1042 C CYS A 63 -2.994 -2.029 12.419 1.00 0.00 C ATOM 1043 O CYS A 63 -4.195 -2.276 12.506 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.252 -2.416 10.026 1.00 0.00 C ATOM 1045 SG CYS A 63 -1.456 -0.789 9.767 1.00 0.00 S ATOM 0 H CYS A 63 -3.164 -4.439 12.335 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.053 -2.672 11.740 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.801 -3.160 9.369 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.309 -2.359 9.764 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.717 -0.365 8.566 1.00 0.00 H new ATOM 1051 N PRO A 64 -2.357 -1.046 13.111 1.00 0.00 N ATOM 1052 CA PRO A 64 -3.083 -0.191 14.035 1.00 0.00 C ATOM 1053 C PRO A 64 -3.926 0.839 13.280 1.00 0.00 C ATOM 1054 O PRO A 64 -4.996 1.230 13.744 1.00 0.00 O ATOM 1055 CB PRO A 64 -2.012 0.443 14.908 1.00 0.00 C ATOM 1056 CG PRO A 64 -0.705 0.283 14.147 1.00 0.00 C ATOM 1057 CD PRO A 64 -0.935 -0.725 13.033 1.00 0.00 C ATOM 0 HA PRO A 64 -3.800 -0.742 14.644 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.230 1.495 15.092 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.960 -0.047 15.880 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.383 1.240 13.736 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.086 -0.059 14.814 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.676 -0.306 12.060 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.320 -1.614 13.171 1.00 0.00 H new ATOM 1065 N GLN A 65 -3.412 1.250 12.130 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.104 2.227 11.307 1.00 0.00 C ATOM 1067 C GLN A 65 -4.945 1.522 10.241 1.00 0.00 C ATOM 1068 O GLN A 65 -5.888 2.102 9.705 1.00 0.00 O ATOM 1069 CB GLN A 65 -3.116 3.204 10.668 1.00 0.00 C ATOM 1070 CG GLN A 65 -2.731 4.314 11.648 1.00 0.00 C ATOM 1071 CD GLN A 65 -2.090 5.494 10.916 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -2.758 6.381 10.411 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -0.761 5.456 10.886 1.00 0.00 N ATOM 0 H GLN A 65 -2.524 0.924 11.749 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.772 2.804 11.946 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.222 2.667 10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.559 3.641 9.773 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.617 4.653 12.185 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.037 3.923 12.392 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.263 4.684 11.329 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.240 6.199 10.420 1.00 0.00 H new ATOM 1082 N GLY A 66 -4.574 0.280 9.965 1.00 0.00 N ATOM 1083 CA GLY A 66 -5.282 -0.510 8.973 1.00 0.00 C ATOM 1084 C GLY A 66 -5.930 0.388 7.917 1.00 0.00 C ATOM 1085 O GLY A 66 -5.256 0.865 7.005 1.00 0.00 O ATOM 0 H GLY A 66 -3.792 -0.198 10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.590 -1.202 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.047 -1.113 9.462 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.263 0.598 8.079 1.00 0.00 N ATOM 1090 CA PRO A 67 -8.009 1.430 7.151 1.00 0.00 C ATOM 1091 C PRO A 67 -7.713 2.913 7.385 1.00 0.00 C ATOM 1092 O PRO A 67 -7.467 3.658 6.437 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.468 1.072 7.385 1.00 0.00 C ATOM 1094 CG PRO A 67 -9.518 0.400 8.748 1.00 0.00 C ATOM 1095 CD PRO A 67 -8.094 0.049 9.148 1.00 0.00 C ATOM 0 HA PRO A 67 -7.731 1.253 6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.097 1.962 7.365 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.836 0.404 6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.968 1.065 9.485 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.136 -0.497 8.709 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.835 0.484 10.114 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.962 -1.029 9.238 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.746 3.298 8.652 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.484 4.678 9.023 1.00 0.00 C ATOM 1105 C VAL A 68 -6.227 5.166 8.299 1.00 0.00 C ATOM 1106 O VAL A 68 -6.065 6.363 8.067 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.384 4.802 10.544 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -8.245 3.745 11.238 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -5.928 4.713 11.007 1.00 0.00 C ATOM 0 H VAL A 68 -7.950 2.678 9.435 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.308 5.320 8.712 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.766 5.783 10.826 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.156 3.855 12.319 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.287 3.875 10.945 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.907 2.751 10.946 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.885 4.804 12.092 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.509 3.753 10.707 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.352 5.519 10.552 1.00 0.00 H new ATOM 1119 N SER A 69 -5.369 4.213 7.963 1.00 0.00 N ATOM 1120 CA SER A 69 -4.132 4.531 7.271 1.00 0.00 C ATOM 1121 C SER A 69 -4.407 4.753 5.782 1.00 0.00 C ATOM 1122 O SER A 69 -3.850 5.665 5.174 1.00 0.00 O ATOM 1123 CB SER A 69 -3.095 3.422 7.460 1.00 0.00 C ATOM 1124 OG SER A 69 -1.989 3.854 8.248 1.00 0.00 O ATOM 0 H SER A 69 -5.507 3.221 8.157 1.00 0.00 H new ATOM 0 HA SER A 69 -3.726 5.448 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.566 2.563 7.937 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.738 3.090 6.485 1.00 0.00 H new ATOM 0 HG SER A 69 -1.350 3.117 8.347 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.266 3.903 5.239 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.621 3.995 3.833 1.00 0.00 C ATOM 1132 C LEU A 70 -6.638 5.121 3.641 1.00 0.00 C ATOM 1133 O LEU A 70 -6.416 6.034 2.848 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.100 2.638 3.312 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.400 1.410 3.897 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -6.415 0.330 4.277 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -4.331 0.880 2.938 1.00 0.00 C ATOM 0 H LEU A 70 -5.726 3.148 5.747 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.746 4.250 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.168 2.551 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.974 2.622 2.229 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.891 1.710 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.891 -0.532 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.106 0.726 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.972 0.026 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.848 0.007 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.797 0.600 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.586 1.655 2.760 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.733 5.020 4.381 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.785 6.019 4.303 1.00 0.00 C ATOM 1151 C GLN A 71 -8.206 7.418 4.523 1.00 0.00 C ATOM 1152 O GLN A 71 -8.500 8.341 3.765 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.899 5.722 5.308 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.430 5.986 6.740 1.00 0.00 C ATOM 1155 CD GLN A 71 -10.404 5.387 7.756 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -11.005 4.348 7.540 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -10.527 6.099 8.873 1.00 0.00 N ATOM 0 H GLN A 71 -7.914 4.261 5.038 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.222 5.981 3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.768 6.341 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.214 4.683 5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.438 5.558 6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.342 7.060 6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.994 6.961 8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.154 5.783 9.613 1.00 0.00 H new ATOM 1166 N ARG A 72 -7.393 7.530 5.563 1.00 0.00 N ATOM 1167 CA ARG A 72 -6.770 8.801 5.892 1.00 0.00 C ATOM 1168 C ARG A 72 -5.671 9.131 4.880 1.00 0.00 C ATOM 1169 O ARG A 72 -5.316 10.295 4.701 1.00 0.00 O ATOM 1170 CB ARG A 72 -6.167 8.771 7.298 1.00 0.00 C ATOM 1171 CG ARG A 72 -7.239 8.470 8.347 1.00 0.00 C ATOM 1172 CD ARG A 72 -8.196 9.653 8.508 1.00 0.00 C ATOM 1173 NE ARG A 72 -7.833 10.438 9.709 1.00 0.00 N ATOM 1174 CZ ARG A 72 -8.284 10.177 10.943 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -9.118 9.148 11.147 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -7.900 10.943 11.973 1.00 0.00 N ATOM 0 H ARG A 72 -7.151 6.762 6.189 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.543 9.568 5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.384 8.015 7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.698 9.730 7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.799 7.582 8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.765 8.248 9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.155 10.288 7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.221 9.293 8.595 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.199 11.228 9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.409 8.564 10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.462 8.949 12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.264 11.725 11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.244 10.744 12.913 1.00 0.00 H new ATOM 1190 N GLN A 73 -5.163 8.086 4.244 1.00 0.00 N ATOM 1191 CA GLN A 73 -4.111 8.250 3.255 1.00 0.00 C ATOM 1192 C GLN A 73 -4.618 9.080 2.074 1.00 0.00 C ATOM 1193 O GLN A 73 -3.853 9.820 1.457 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.584 6.893 2.785 1.00 0.00 C ATOM 1195 CG GLN A 73 -3.078 6.971 1.343 1.00 0.00 C ATOM 1196 CD GLN A 73 -4.181 6.591 0.353 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -4.670 7.620 -0.333 1.00 0.00 O flip ATOM 1198 NE2 GLN A 73 -4.562 5.440 0.221 1.00 0.00 N flip ATOM 0 H GLN A 73 -5.460 7.122 4.394 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.282 8.784 3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.777 6.566 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.375 6.147 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.727 7.981 1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.225 6.304 1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.143 4.697 0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.300 5.221 -0.449 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.905 8.930 1.795 1.00 0.00 N ATOM 1208 CA ILE A 74 -6.523 9.656 0.699 1.00 0.00 C ATOM 1209 C ILE A 74 -6.987 11.026 1.199 1.00 0.00 C ATOM 1210 O ILE A 74 -7.525 11.140 2.299 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.638 8.823 0.066 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.410 8.654 -1.438 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -9.012 9.422 0.373 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.454 9.430 -2.242 1.00 0.00 C ATOM 0 H ILE A 74 -6.536 8.316 2.309 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.799 9.834 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.614 7.828 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.411 9.004 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.456 7.597 -1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.787 8.810 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.165 9.448 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.064 10.435 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.269 9.293 -3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.450 9.061 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.389 10.490 -1.996 1.00 0.00 H new ATOM 1226 N PRO A 75 -6.754 12.059 0.344 1.00 0.00 N ATOM 1227 CA PRO A 75 -7.142 13.416 0.688 1.00 0.00 C ATOM 1228 C PRO A 75 -8.655 13.604 0.558 1.00 0.00 C ATOM 1229 O PRO A 75 -9.115 14.506 -0.141 1.00 0.00 O ATOM 1230 CB PRO A 75 -6.350 14.303 -0.259 1.00 0.00 C ATOM 1231 CG PRO A 75 -5.906 13.402 -1.400 1.00 0.00 C ATOM 1232 CD PRO A 75 -6.119 11.961 -0.966 1.00 0.00 C ATOM 0 HA PRO A 75 -6.922 13.666 1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.962 15.126 -0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.491 14.745 0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.479 13.618 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.857 13.578 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.751 11.424 -1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.174 11.421 -0.909 1.00 0.00 H new ATOM 1240 N LYS A 76 -9.387 12.737 1.242 1.00 0.00 N ATOM 1241 CA LYS A 76 -10.839 12.796 1.212 1.00 0.00 C ATOM 1242 C LYS A 76 -11.407 11.779 2.204 1.00 0.00 C ATOM 1243 O LYS A 76 -12.493 11.242 1.994 1.00 0.00 O ATOM 1244 CB LYS A 76 -11.353 12.613 -0.218 1.00 0.00 C ATOM 1245 CG LYS A 76 -11.891 13.931 -0.779 1.00 0.00 C ATOM 1246 CD LYS A 76 -13.112 14.406 0.011 1.00 0.00 C ATOM 1247 CE LYS A 76 -13.041 15.911 0.276 1.00 0.00 C ATOM 1248 NZ LYS A 76 -13.686 16.662 -0.824 1.00 0.00 N ATOM 0 H LYS A 76 -9.002 11.990 1.820 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.187 13.779 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.548 12.245 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.140 11.859 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.111 14.691 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.160 13.801 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.021 14.173 -0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.169 13.869 0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.533 16.144 1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.000 16.220 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.483 17.676 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.315 16.329 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.714 16.509 -0.792 1.00 0.00 H new ATOM 1262 N LEU A 77 -10.646 11.545 3.263 1.00 0.00 N ATOM 1263 CA LEU A 77 -11.060 10.602 4.289 1.00 0.00 C ATOM 1264 C LEU A 77 -12.530 10.846 4.636 1.00 0.00 C ATOM 1265 O LEU A 77 -13.372 9.972 4.436 1.00 0.00 O ATOM 1266 CB LEU A 77 -10.123 10.677 5.495 1.00 0.00 C ATOM 1267 CG LEU A 77 -9.327 11.975 5.647 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -9.209 12.377 7.119 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -7.959 11.863 4.972 1.00 0.00 C ATOM 0 H LEU A 77 -9.745 11.992 3.433 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.985 9.579 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.714 10.529 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.419 9.847 5.435 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.872 12.770 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.639 13.303 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.205 12.527 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.699 11.588 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.415 12.799 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.393 11.051 5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.093 11.659 3.910 1.00 0.00 H new ATOM 1281 N ASP A 78 -12.794 12.038 5.151 1.00 0.00 N ATOM 1282 CA ASP A 78 -14.147 12.408 5.528 1.00 0.00 C ATOM 1283 C ASP A 78 -15.129 11.856 4.492 1.00 0.00 C ATOM 1284 O ASP A 78 -16.266 11.525 4.825 1.00 0.00 O ATOM 1285 CB ASP A 78 -14.311 13.928 5.571 1.00 0.00 C ATOM 1286 CG ASP A 78 -15.666 14.418 6.086 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -16.683 14.017 5.479 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -15.654 15.183 7.075 1.00 0.00 O ATOM 0 H ASP A 78 -12.093 12.760 5.316 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.346 11.996 6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.527 14.345 6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.156 14.324 4.567 1.00 0.00 H new ATOM 1293 N SER A 79 -14.655 11.773 3.258 1.00 0.00 N ATOM 1294 CA SER A 79 -15.476 11.267 2.172 1.00 0.00 C ATOM 1295 C SER A 79 -15.407 9.739 2.132 1.00 0.00 C ATOM 1296 O SER A 79 -16.429 9.065 2.246 1.00 0.00 O ATOM 1297 CB SER A 79 -15.037 11.854 0.829 1.00 0.00 C ATOM 1298 OG SER A 79 -15.387 13.230 0.708 1.00 0.00 O ATOM 0 H SER A 79 -13.711 12.048 2.986 1.00 0.00 H new ATOM 0 HA SER A 79 -16.507 11.573 2.351 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.958 11.743 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.498 11.290 0.019 1.00 0.00 H new ATOM 0 HG SER A 79 -15.206 13.689 1.555 1.00 0.00 H new ATOM 1304 N VAL A 80 -14.191 9.238 1.970 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.975 7.802 1.914 1.00 0.00 C ATOM 1306 C VAL A 80 -14.022 7.227 3.331 1.00 0.00 C ATOM 1307 O VAL A 80 -14.758 6.279 3.596 1.00 0.00 O ATOM 1308 CB VAL A 80 -12.663 7.498 1.188 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -11.474 8.118 1.924 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -12.472 5.991 1.008 1.00 0.00 C ATOM 0 H VAL A 80 -13.345 9.801 1.876 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.767 7.319 1.342 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.716 7.949 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.554 7.887 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.602 9.199 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.418 7.710 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.532 5.803 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.451 5.508 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.297 5.587 0.421 1.00 0.00 H new ATOM 1320 N LEU A 81 -13.225 7.826 4.204 1.00 0.00 N ATOM 1321 CA LEU A 81 -13.166 7.386 5.588 1.00 0.00 C ATOM 1322 C LEU A 81 -14.588 7.204 6.122 1.00 0.00 C ATOM 1323 O LEU A 81 -14.812 6.426 7.048 1.00 0.00 O ATOM 1324 CB LEU A 81 -12.315 8.347 6.420 1.00 0.00 C ATOM 1325 CG LEU A 81 -12.990 8.941 7.658 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -12.844 8.009 8.862 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -12.459 10.345 7.952 1.00 0.00 C ATOM 0 H LEU A 81 -12.615 8.612 3.980 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.672 6.417 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.415 7.821 6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.994 9.167 5.777 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.056 9.037 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.332 8.455 9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.309 7.049 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.787 7.858 9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.955 10.744 8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.384 10.298 8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.658 10.995 7.100 1.00 0.00 H new ATOM 1339 N LYS A 82 -15.512 7.934 5.515 1.00 0.00 N ATOM 1340 CA LYS A 82 -16.906 7.863 5.917 1.00 0.00 C ATOM 1341 C LYS A 82 -17.662 6.937 4.962 1.00 0.00 C ATOM 1342 O LYS A 82 -17.505 5.718 5.019 1.00 0.00 O ATOM 1343 CB LYS A 82 -17.507 9.266 6.018 1.00 0.00 C ATOM 1344 CG LYS A 82 -16.809 10.085 7.106 1.00 0.00 C ATOM 1345 CD LYS A 82 -16.990 9.438 8.480 1.00 0.00 C ATOM 1346 CE LYS A 82 -18.473 9.249 8.806 1.00 0.00 C ATOM 1347 NZ LYS A 82 -18.697 9.331 10.267 1.00 0.00 N ATOM 0 H LYS A 82 -15.322 8.578 4.747 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.993 7.432 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -17.414 9.775 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -18.572 9.194 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.747 10.170 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -17.214 11.097 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.484 8.473 8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.523 10.060 9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -19.063 10.012 8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.813 8.283 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -19.708 9.201 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.149 8.587 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -18.391 10.263 10.613 1.00 0.00 H new ATOM 1361 N TYR A 83 -18.465 7.551 4.106 1.00 0.00 N ATOM 1362 CA TYR A 83 -19.246 6.798 3.140 1.00 0.00 C ATOM 1363 C TYR A 83 -19.336 7.543 1.807 1.00 0.00 C ATOM 1364 O TYR A 83 -19.852 7.009 0.826 1.00 0.00 O ATOM 1365 CB TYR A 83 -20.649 6.673 3.736 1.00 0.00 C ATOM 1366 CG TYR A 83 -21.355 5.358 3.396 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -20.658 4.168 3.445 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -22.689 5.363 3.041 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -21.323 2.931 3.125 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -23.353 4.126 2.721 1.00 0.00 C ATOM 1371 CZ TYR A 83 -22.637 2.971 2.779 1.00 0.00 C ATOM 1372 OH TYR A 83 -23.265 1.803 2.477 1.00 0.00 O ATOM 0 H TYR A 83 -18.592 8.562 4.061 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.786 5.829 2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -20.582 6.768 4.820 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -21.259 7.503 3.380 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.614 4.164 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -23.234 6.294 3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -20.790 1.993 3.159 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -24.396 4.116 2.441 1.00 0.00 H new ATOM 0 HH TYR A 83 -24.201 1.984 2.249 1.00 0.00 H new ATOM 1382 N LYS A 84 -18.826 8.766 1.813 1.00 0.00 N ATOM 1383 CA LYS A 84 -18.842 9.590 0.617 1.00 0.00 C ATOM 1384 C LYS A 84 -18.078 8.877 -0.500 1.00 0.00 C ATOM 1385 O LYS A 84 -18.280 7.686 -0.732 1.00 0.00 O ATOM 1386 CB LYS A 84 -18.314 10.993 0.925 1.00 0.00 C ATOM 1387 CG LYS A 84 -19.031 12.047 0.080 1.00 0.00 C ATOM 1388 CD LYS A 84 -18.403 13.428 0.278 1.00 0.00 C ATOM 1389 CE LYS A 84 -17.833 13.965 -1.037 1.00 0.00 C ATOM 1390 NZ LYS A 84 -18.027 15.430 -1.126 1.00 0.00 N ATOM 0 H LYS A 84 -18.399 9.206 2.628 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.864 9.729 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.454 11.214 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -17.242 11.033 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.982 11.769 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -20.086 12.081 0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -19.152 14.120 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.611 13.368 1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.771 13.728 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.322 13.476 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.635 15.778 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.043 15.649 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.540 15.894 -0.333 1.00 0.00 H new ATOM 1404 N HIS A 85 -17.216 9.635 -1.161 1.00 0.00 N ATOM 1405 CA HIS A 85 -16.420 9.089 -2.248 1.00 0.00 C ATOM 1406 C HIS A 85 -16.224 7.587 -2.036 1.00 0.00 C ATOM 1407 O HIS A 85 -16.070 6.836 -2.998 1.00 0.00 O ATOM 1408 CB HIS A 85 -15.097 9.846 -2.385 1.00 0.00 C ATOM 1409 CG HIS A 85 -15.234 11.212 -3.014 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -14.708 12.417 -2.651 1.00 0.00 N flip ATOM 1411 CD2 HIS A 85 -15.986 11.441 -4.153 1.00 0.00 C flip ATOM 1412 CE1 HIS A 85 -15.116 13.332 -3.521 1.00 0.00 C flip ATOM 1413 NE2 HIS A 85 -15.909 12.729 -4.453 1.00 0.00 N flip ATOM 0 H HIS A 85 -17.051 10.622 -0.965 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.948 9.222 -3.193 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.649 9.955 -1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.409 9.249 -2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -16.541 10.696 -4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -14.862 14.381 -3.495 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -16.363 13.189 -5.242 1.00 0.00 H new ATOM 1421 N THR A 86 -16.237 7.193 -0.771 1.00 0.00 N ATOM 1422 CA THR A 86 -16.062 5.793 -0.421 1.00 0.00 C ATOM 1423 C THR A 86 -16.985 4.913 -1.267 1.00 0.00 C ATOM 1424 O THR A 86 -16.663 3.760 -1.547 1.00 0.00 O ATOM 1425 CB THR A 86 -16.297 5.650 1.084 1.00 0.00 C ATOM 1426 OG1 THR A 86 -15.078 5.098 1.574 1.00 0.00 O ATOM 1427 CG2 THR A 86 -17.347 4.586 1.414 1.00 0.00 C ATOM 0 H THR A 86 -16.366 7.819 0.024 1.00 0.00 H new ATOM 0 HA THR A 86 -15.050 5.453 -0.640 1.00 0.00 H new ATOM 0 HB THR A 86 -16.610 6.609 1.496 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.012 5.256 2.539 1.00 0.00 H new ATOM 0 HG21 THR A 86 -17.476 4.525 2.495 1.00 0.00 H new ATOM 0 HG22 THR A 86 -18.296 4.855 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 86 -17.018 3.619 1.032 1.00 0.00 H new ATOM 1435 N ASP A 87 -18.114 5.491 -1.650 1.00 0.00 N ATOM 1436 CA ASP A 87 -19.085 4.774 -2.459 1.00 0.00 C ATOM 1437 C ASP A 87 -18.350 3.929 -3.501 1.00 0.00 C ATOM 1438 O ASP A 87 -17.182 3.588 -3.318 1.00 0.00 O ATOM 1439 CB ASP A 87 -20.007 5.743 -3.201 1.00 0.00 C ATOM 1440 CG ASP A 87 -20.134 7.129 -2.566 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -20.723 7.198 -1.466 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -19.640 8.090 -3.196 1.00 0.00 O ATOM 0 H ASP A 87 -18.378 6.448 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.680 4.148 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.641 5.859 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -21.000 5.298 -3.267 1.00 0.00 H new ATOM 1447 N PRO A 88 -19.083 3.605 -4.599 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.514 2.806 -5.671 1.00 0.00 C ATOM 1449 C PRO A 88 -17.546 3.634 -6.518 1.00 0.00 C ATOM 1450 O PRO A 88 -17.273 3.293 -7.668 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.709 2.298 -6.460 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.871 3.202 -6.086 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.469 3.990 -4.850 1.00 0.00 C ATOM 0 HA PRO A 88 -17.914 1.974 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.514 2.336 -7.532 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.927 1.259 -6.212 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.110 3.877 -6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.766 2.612 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.557 5.063 -5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -21.107 3.747 -4.001 1.00 0.00 H new ATOM 1461 N THR A 89 -17.053 4.707 -5.917 1.00 0.00 N ATOM 1462 CA THR A 89 -16.122 5.587 -6.601 1.00 0.00 C ATOM 1463 C THR A 89 -14.686 5.094 -6.414 1.00 0.00 C ATOM 1464 O THR A 89 -13.924 5.008 -7.377 1.00 0.00 O ATOM 1465 CB THR A 89 -16.347 7.009 -6.084 1.00 0.00 C ATOM 1466 OG1 THR A 89 -16.380 7.807 -7.265 1.00 0.00 O ATOM 1467 CG2 THR A 89 -15.146 7.547 -5.305 1.00 0.00 C ATOM 0 H THR A 89 -17.281 4.987 -4.963 1.00 0.00 H new ATOM 0 HA THR A 89 -16.296 5.585 -7.677 1.00 0.00 H new ATOM 0 HB THR A 89 -17.230 7.027 -5.446 1.00 0.00 H new ATOM 0 HG1 THR A 89 -16.524 8.745 -7.022 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.359 8.559 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.952 6.905 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.269 7.561 -5.952 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.359 4.782 -5.169 1.00 0.00 N ATOM 1476 CA PHE A 90 -13.028 4.299 -4.843 1.00 0.00 C ATOM 1477 C PHE A 90 -13.057 2.812 -4.484 1.00 0.00 C ATOM 1478 O PHE A 90 -12.052 2.116 -4.625 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.548 5.095 -3.628 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.838 6.404 -3.982 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.982 6.449 -5.038 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -12.064 7.522 -3.242 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -10.324 7.663 -5.367 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.406 8.736 -3.571 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.550 8.781 -4.626 1.00 0.00 C ATOM 0 H PHE A 90 -14.993 4.854 -4.373 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.366 4.426 -5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.404 5.319 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.870 4.473 -3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.803 5.561 -5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.744 7.486 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.644 7.699 -6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.585 9.624 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.049 9.705 -4.876 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.218 2.369 -4.026 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.391 0.977 -3.646 1.00 0.00 C ATOM 1497 C GLY A 91 -13.590 0.054 -4.566 1.00 0.00 C ATOM 1498 O GLY A 91 -12.379 -0.089 -4.405 1.00 0.00 O ATOM 0 H GLY A 91 -15.049 2.949 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.070 0.835 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.448 0.713 -3.690 1.00 0.00 H new ATOM 1502 N MET A 92 -14.298 -0.550 -5.509 1.00 0.00 N ATOM 1503 CA MET A 92 -13.667 -1.455 -6.454 1.00 0.00 C ATOM 1504 C MET A 92 -12.212 -1.056 -6.709 1.00 0.00 C ATOM 1505 O MET A 92 -11.335 -1.342 -5.896 1.00 0.00 O ATOM 1506 CB MET A 92 -14.441 -1.436 -7.774 1.00 0.00 C ATOM 1507 CG MET A 92 -14.752 -0.001 -8.206 1.00 0.00 C ATOM 1508 SD MET A 92 -16.190 0.600 -7.336 1.00 0.00 S ATOM 1509 CE MET A 92 -15.464 1.962 -6.441 1.00 0.00 C ATOM 0 H MET A 92 -15.303 -0.430 -5.639 1.00 0.00 H new ATOM 0 HA MET A 92 -13.679 -2.459 -6.030 1.00 0.00 H new ATOM 0 HB2 MET A 92 -13.858 -1.935 -8.549 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.370 -1.996 -7.663 1.00 0.00 H new ATOM 0 HG2 MET A 92 -13.897 0.643 -8.000 1.00 0.00 H new ATOM 0 HG3 MET A 92 -14.926 0.034 -9.281 1.00 0.00 H new ATOM 0 HE1 MET A 92 -15.919 2.031 -5.453 1.00 0.00 H new ATOM 0 HE2 MET A 92 -14.391 1.798 -6.336 1.00 0.00 H new ATOM 0 HE3 MET A 92 -15.638 2.890 -6.986 1.00 0.00 H new ATOM 1519 N ASP A 93 -12.001 -0.401 -7.841 1.00 0.00 N ATOM 1520 CA ASP A 93 -10.668 0.040 -8.213 1.00 0.00 C ATOM 1521 C ASP A 93 -10.542 1.543 -7.955 1.00 0.00 C ATOM 1522 O ASP A 93 -11.085 2.353 -8.704 1.00 0.00 O ATOM 1523 CB ASP A 93 -10.400 -0.208 -9.699 1.00 0.00 C ATOM 1524 CG ASP A 93 -10.570 -1.659 -10.153 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -11.740 -2.085 -10.266 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -9.526 -2.309 -10.378 1.00 0.00 O ATOM 0 H ASP A 93 -12.731 -0.165 -8.513 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.949 -0.523 -7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.071 0.421 -10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.383 0.112 -9.928 1.00 0.00 H new ATOM 1531 N LEU A 94 -9.823 1.870 -6.891 1.00 0.00 N ATOM 1532 CA LEU A 94 -9.619 3.261 -6.524 1.00 0.00 C ATOM 1533 C LEU A 94 -8.610 3.894 -7.484 1.00 0.00 C ATOM 1534 O LEU A 94 -8.769 5.045 -7.887 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.221 3.373 -5.051 1.00 0.00 C ATOM 1536 CG LEU A 94 -7.719 3.403 -4.762 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -7.048 2.105 -5.217 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.064 4.636 -5.388 1.00 0.00 C ATOM 0 H LEU A 94 -9.374 1.195 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.548 3.822 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.667 4.280 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.658 2.532 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.580 3.478 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.981 2.152 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.489 1.262 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.195 1.976 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.997 4.633 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.211 4.618 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.517 5.538 -4.975 1.00 0.00 H new ATOM 1550 N GLN A 95 -7.593 3.114 -7.823 1.00 0.00 N ATOM 1551 CA GLN A 95 -6.558 3.584 -8.727 1.00 0.00 C ATOM 1552 C GLN A 95 -7.187 4.201 -9.979 1.00 0.00 C ATOM 1553 O GLN A 95 -6.615 5.106 -10.584 1.00 0.00 O ATOM 1554 CB GLN A 95 -5.598 2.452 -9.097 1.00 0.00 C ATOM 1555 CG GLN A 95 -4.296 3.006 -9.680 1.00 0.00 C ATOM 1556 CD GLN A 95 -4.037 2.442 -11.078 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -4.931 2.310 -11.898 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -2.767 2.118 -11.304 1.00 0.00 N ATOM 0 H GLN A 95 -7.464 2.159 -7.487 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.980 4.354 -8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.379 1.853 -8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.072 1.790 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.348 4.094 -9.727 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.463 2.755 -9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.068 2.254 -10.574 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.492 1.733 -12.208 1.00 0.00 H new ATOM 1567 N LYS A 96 -8.357 3.686 -10.329 1.00 0.00 N ATOM 1568 CA LYS A 96 -9.070 4.175 -11.497 1.00 0.00 C ATOM 1569 C LYS A 96 -9.497 5.625 -11.259 1.00 0.00 C ATOM 1570 O LYS A 96 -9.633 6.399 -12.205 1.00 0.00 O ATOM 1571 CB LYS A 96 -10.230 3.241 -11.846 1.00 0.00 C ATOM 1572 CG LYS A 96 -9.719 1.854 -12.239 1.00 0.00 C ATOM 1573 CD LYS A 96 -8.399 1.953 -13.006 1.00 0.00 C ATOM 1574 CE LYS A 96 -8.017 0.603 -13.617 1.00 0.00 C ATOM 1575 NZ LYS A 96 -8.616 0.454 -14.962 1.00 0.00 N ATOM 0 H LYS A 96 -8.829 2.935 -9.824 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.417 4.174 -12.370 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.902 3.156 -10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.809 3.665 -12.667 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.579 1.247 -11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.464 1.349 -12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.487 2.701 -13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.609 2.289 -12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.932 0.522 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.357 -0.205 -12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.347 -0.467 -15.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.652 0.510 -14.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.271 1.214 -15.582 1.00 0.00 H new ATOM 1589 N CYS A 97 -9.696 5.949 -9.990 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.105 7.292 -9.616 1.00 0.00 C ATOM 1591 C CYS A 97 -8.860 8.070 -9.185 1.00 0.00 C ATOM 1592 O CYS A 97 -8.646 9.199 -9.624 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.174 7.274 -8.521 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.824 6.998 -9.263 1.00 0.00 S ATOM 0 H CYS A 97 -9.582 5.305 -9.208 1.00 0.00 H new ATOM 0 HA CYS A 97 -10.564 7.787 -10.472 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.954 6.487 -7.799 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -11.164 8.218 -7.976 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.453 6.079 -8.592 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.072 7.436 -8.329 1.00 0.00 N ATOM 1601 CA VAL A 98 -6.854 8.055 -7.834 1.00 0.00 C ATOM 1602 C VAL A 98 -5.885 8.268 -8.998 1.00 0.00 C ATOM 1603 O VAL A 98 -5.092 9.209 -8.987 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.258 7.209 -6.707 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -4.736 7.363 -6.652 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -6.894 7.561 -5.361 1.00 0.00 C ATOM 0 H VAL A 98 -8.253 6.500 -7.966 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.070 9.035 -7.408 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.482 6.163 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.337 6.751 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.303 7.039 -7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.482 8.408 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.452 6.945 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.716 8.613 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.967 7.376 -5.406 1.00 0.00 H new ATOM 1616 N GLN A 99 -5.980 7.379 -9.976 1.00 0.00 N ATOM 1617 CA GLN A 99 -5.122 7.458 -11.146 1.00 0.00 C ATOM 1618 C GLN A 99 -4.928 8.917 -11.564 1.00 0.00 C ATOM 1619 O GLN A 99 -3.905 9.267 -12.152 1.00 0.00 O ATOM 1620 CB GLN A 99 -5.689 6.628 -12.299 1.00 0.00 C ATOM 1621 CG GLN A 99 -7.210 6.773 -12.383 1.00 0.00 C ATOM 1622 CD GLN A 99 -7.603 7.865 -13.381 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -7.495 9.051 -13.116 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -8.063 7.399 -14.538 1.00 0.00 N ATOM 0 H GLN A 99 -6.638 6.600 -9.982 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.148 7.042 -10.887 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.237 6.947 -13.238 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.427 5.579 -12.160 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.653 5.824 -12.684 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.611 7.014 -11.398 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.127 6.393 -14.693 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.352 8.048 -15.270 1.00 0.00 H new ATOM 1633 N ARG A 100 -5.925 9.729 -11.245 1.00 0.00 N ATOM 1634 CA ARG A 100 -5.876 11.142 -11.580 1.00 0.00 C ATOM 1635 C ARG A 100 -7.202 11.818 -11.223 1.00 0.00 C ATOM 1636 O ARG A 100 -7.229 13.000 -10.886 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.593 11.345 -13.070 1.00 0.00 C ATOM 1638 CG ARG A 100 -5.588 12.832 -13.429 1.00 0.00 C ATOM 1639 CD ARG A 100 -4.435 13.163 -14.379 1.00 0.00 C ATOM 1640 NE ARG A 100 -4.551 14.562 -14.847 1.00 0.00 N ATOM 1641 CZ ARG A 100 -5.253 14.937 -15.926 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -5.905 14.020 -16.653 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -5.302 16.230 -16.276 1.00 0.00 N ATOM 0 H ARG A 100 -6.772 9.435 -10.758 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.068 11.592 -11.004 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.630 10.902 -13.325 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.348 10.827 -13.661 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.536 13.100 -13.895 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.499 13.429 -12.521 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.481 13.019 -13.871 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.448 12.483 -15.231 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.067 15.286 -14.316 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.867 13.036 -16.386 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.439 14.305 -17.474 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.806 16.928 -15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.836 16.516 -17.097 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.269 11.038 -11.310 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.595 11.546 -11.001 1.00 0.00 C ATOM 1659 C GLY A 101 -9.717 11.889 -9.514 1.00 0.00 C ATOM 1660 O GLY A 101 -8.717 11.937 -8.800 1.00 0.00 O ATOM 0 H GLY A 101 -8.243 10.058 -11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.797 12.433 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.345 10.802 -11.269 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.952 12.118 -9.093 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.219 12.454 -7.705 1.00 0.00 C ATOM 1666 C LEU A 102 -10.083 13.329 -7.169 1.00 0.00 C ATOM 1667 O LEU A 102 -10.091 14.545 -7.354 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.459 11.187 -6.882 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.554 11.276 -5.817 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -13.309 9.951 -5.695 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -11.977 11.733 -4.475 1.00 0.00 C ATOM 0 H LEU A 102 -11.779 12.077 -9.689 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.137 13.036 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.710 10.376 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.525 10.914 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.276 12.030 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.082 10.041 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.771 9.706 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.613 9.160 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.776 11.788 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.222 11.020 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.521 12.716 -4.591 1.00 0.00 H new ATOM 1683 N TRP A 103 -9.133 12.675 -6.517 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.993 13.377 -5.953 1.00 0.00 C ATOM 1685 C TRP A 103 -6.781 12.446 -6.026 1.00 0.00 C ATOM 1686 O TRP A 103 -6.931 11.225 -6.023 1.00 0.00 O ATOM 1687 CB TRP A 103 -8.293 13.859 -4.533 1.00 0.00 C ATOM 1688 CG TRP A 103 -8.050 15.354 -4.318 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -7.036 16.100 -4.778 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -8.883 16.261 -3.565 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -7.154 17.416 -4.379 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -8.313 17.517 -3.618 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -10.079 16.029 -2.863 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -8.868 18.638 -2.989 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -10.620 17.159 -2.240 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -10.059 18.430 -2.283 1.00 0.00 C ATOM 0 H TRP A 103 -9.130 11.666 -6.367 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.774 14.279 -6.525 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -9.333 13.633 -4.296 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.676 13.297 -3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.228 15.719 -5.385 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -6.510 18.175 -4.601 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.543 15.055 -2.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -8.402 19.611 -3.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -11.539 17.035 -1.686 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.539 19.253 -1.774 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.608 13.058 -6.088 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.371 12.299 -6.161 1.00 0.00 C ATOM 1709 C ASN A 104 -3.747 12.213 -4.766 1.00 0.00 C ATOM 1710 O ASN A 104 -3.190 13.191 -4.270 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.362 12.978 -7.089 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.062 14.405 -6.623 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -3.948 15.175 -6.289 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -1.769 14.713 -6.620 1.00 0.00 N ATOM 0 H ASN A 104 -5.488 14.071 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.606 11.307 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.439 12.399 -7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.754 12.999 -8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.467 15.642 -6.326 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.079 14.021 -6.912 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.866 11.003 -4.157 1.00 0.00 N ATOM 1722 CA PRO A 105 -3.321 10.777 -2.829 1.00 0.00 C ATOM 1723 C PRO A 105 -1.798 10.642 -2.878 1.00 0.00 C ATOM 1724 O PRO A 105 -1.148 10.522 -1.840 1.00 0.00 O ATOM 1725 CB PRO A 105 -4.013 9.520 -2.329 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.568 8.830 -3.564 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.520 9.823 -4.714 1.00 0.00 C ATOM 0 HA PRO A 105 -3.502 11.612 -2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.313 8.872 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.810 9.766 -1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.982 7.942 -3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.591 8.498 -3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.961 9.423 -5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.521 10.059 -5.076 1.00 0.00 H new ATOM 1735 N LYS A 106 -1.272 10.666 -4.094 1.00 0.00 N ATOM 1736 CA LYS A 106 0.163 10.548 -4.291 1.00 0.00 C ATOM 1737 C LYS A 106 0.770 9.757 -3.130 1.00 0.00 C ATOM 1738 O LYS A 106 1.808 10.137 -2.591 1.00 0.00 O ATOM 1739 CB LYS A 106 0.792 11.928 -4.490 1.00 0.00 C ATOM 1740 CG LYS A 106 -0.273 13.026 -4.458 1.00 0.00 C ATOM 1741 CD LYS A 106 -0.818 13.221 -3.042 1.00 0.00 C ATOM 1742 CE LYS A 106 0.246 12.885 -1.995 1.00 0.00 C ATOM 1743 NZ LYS A 106 1.424 13.766 -2.151 1.00 0.00 N ATOM 0 H LYS A 106 -1.814 10.765 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 106 0.377 9.991 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.531 12.111 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.320 11.957 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.154 13.962 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.089 12.766 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.147 14.252 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.692 12.587 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.171 13.000 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.548 11.843 -2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 2.287 13.187 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.333 14.315 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.481 14.416 -1.341 1.00 0.00 H new ATOM 1757 N GLU A 107 0.096 8.672 -2.779 1.00 0.00 N ATOM 1758 CA GLU A 107 0.555 7.824 -1.692 1.00 0.00 C ATOM 1759 C GLU A 107 0.560 6.358 -2.128 1.00 0.00 C ATOM 1760 O GLU A 107 -0.218 5.961 -2.994 1.00 0.00 O ATOM 1761 CB GLU A 107 -0.304 8.021 -0.442 1.00 0.00 C ATOM 1762 CG GLU A 107 0.099 9.294 0.306 1.00 0.00 C ATOM 1763 CD GLU A 107 1.385 9.075 1.106 1.00 0.00 C ATOM 1764 OE1 GLU A 107 1.430 8.066 1.843 1.00 0.00 O ATOM 1765 OE2 GLU A 107 2.293 9.922 0.964 1.00 0.00 O ATOM 0 H GLU A 107 -0.765 8.360 -3.228 1.00 0.00 H new ATOM 0 HA GLU A 107 1.576 8.111 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.355 8.078 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.197 7.159 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.243 10.108 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.705 9.595 0.978 1.00 0.00 H new ATOM 1772 N ALA A 108 1.447 5.592 -1.509 1.00 0.00 N ATOM 1773 CA ALA A 108 1.564 4.178 -1.822 1.00 0.00 C ATOM 1774 C ALA A 108 1.190 3.354 -0.588 1.00 0.00 C ATOM 1775 O ALA A 108 1.679 3.618 0.510 1.00 0.00 O ATOM 1776 CB ALA A 108 2.981 3.880 -2.315 1.00 0.00 C ATOM 0 H ALA A 108 2.092 5.924 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 108 0.876 3.904 -2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.069 2.819 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.186 4.468 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.699 4.140 -1.537 1.00 0.00 H new ATOM 1782 N LEU A 109 0.328 2.373 -0.809 1.00 0.00 N ATOM 1783 CA LEU A 109 -0.116 1.509 0.271 1.00 0.00 C ATOM 1784 C LEU A 109 0.755 0.252 0.304 1.00 0.00 C ATOM 1785 O LEU A 109 0.705 -0.567 -0.612 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.613 1.217 0.143 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.448 2.292 -0.556 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -2.328 3.635 0.166 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -2.075 2.401 -2.036 1.00 0.00 C ATOM 0 H LEU A 109 -0.075 2.157 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 109 0.007 2.008 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.735 0.280 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.020 1.062 1.142 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.495 1.994 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.931 4.381 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.682 3.530 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.285 3.952 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.683 3.172 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.021 2.664 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.255 1.445 -2.528 1.00 0.00 H new ATOM 1801 N TRP A 110 1.534 0.138 1.370 1.00 0.00 N ATOM 1802 CA TRP A 110 2.415 -1.005 1.535 1.00 0.00 C ATOM 1803 C TRP A 110 1.907 -1.827 2.721 1.00 0.00 C ATOM 1804 O TRP A 110 2.000 -1.391 3.867 1.00 0.00 O ATOM 1805 CB TRP A 110 3.869 -0.558 1.696 1.00 0.00 C ATOM 1806 CG TRP A 110 4.725 -1.512 2.532 1.00 0.00 C ATOM 1807 CD1 TRP A 110 5.663 -1.201 3.437 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.681 -2.954 2.504 1.00 0.00 C ATOM 1809 NE1 TRP A 110 6.226 -2.333 3.991 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.609 -3.433 3.406 1.00 0.00 C ATOM 1811 CE3 TRP A 110 3.883 -3.826 1.742 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 5.828 -4.797 3.630 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.114 -5.186 1.977 1.00 0.00 C ATOM 1814 CH2 TRP A 110 5.045 -5.684 2.882 1.00 0.00 C ATOM 0 H TRP A 110 1.573 0.819 2.128 1.00 0.00 H new ATOM 0 HA TRP A 110 2.401 -1.634 0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.318 -0.455 0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.886 0.429 2.159 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.943 -0.192 3.700 1.00 0.00 H new ATOM 0 HE1 TRP A 110 6.960 -2.358 4.699 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.150 -3.474 1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 6.562 -5.146 4.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 3.528 -5.899 1.416 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.163 -6.750 3.007 1.00 0.00 H new ATOM 1825 N VAL A 111 1.381 -3.001 2.404 1.00 0.00 N ATOM 1826 CA VAL A 111 0.858 -3.887 3.430 1.00 0.00 C ATOM 1827 C VAL A 111 1.486 -5.273 3.269 1.00 0.00 C ATOM 1828 O VAL A 111 1.586 -5.788 2.157 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.671 -3.914 3.369 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -1.259 -2.560 3.773 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.157 -4.330 1.979 1.00 0.00 C ATOM 0 H VAL A 111 1.306 -3.359 1.452 1.00 0.00 H new ATOM 0 HA VAL A 111 1.124 -3.522 4.422 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.022 -4.659 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.347 -2.606 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.954 -2.320 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.896 -1.788 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.247 -4.341 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.790 -3.620 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.780 -5.326 1.745 1.00 0.00 H new ATOM 1841 N ASP A 112 1.893 -5.837 4.397 1.00 0.00 N ATOM 1842 CA ASP A 112 2.510 -7.153 4.395 1.00 0.00 C ATOM 1843 C ASP A 112 1.557 -8.158 5.045 1.00 0.00 C ATOM 1844 O ASP A 112 0.931 -7.859 6.061 1.00 0.00 O ATOM 1845 CB ASP A 112 3.813 -7.152 5.195 1.00 0.00 C ATOM 1846 CG ASP A 112 4.394 -5.766 5.483 1.00 0.00 C ATOM 1847 OD1 ASP A 112 3.738 -4.781 5.081 1.00 0.00 O ATOM 1848 OD2 ASP A 112 5.482 -5.723 6.098 1.00 0.00 O ATOM 0 H ASP A 112 1.808 -5.407 5.318 1.00 0.00 H new ATOM 0 HA ASP A 112 2.723 -7.424 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.640 -7.661 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.556 -7.735 4.651 1.00 0.00 H new ATOM 1853 N TRP A 113 1.476 -9.331 4.432 1.00 0.00 N ATOM 1854 CA TRP A 113 0.610 -10.382 4.939 1.00 0.00 C ATOM 1855 C TRP A 113 1.490 -11.428 5.626 1.00 0.00 C ATOM 1856 O TRP A 113 1.647 -11.407 6.846 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.252 -10.968 3.819 1.00 0.00 C ATOM 1858 CG TRP A 113 -1.740 -11.063 4.165 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -2.711 -10.184 3.880 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.390 -12.137 4.877 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -3.934 -10.611 4.354 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.733 -11.836 4.979 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.862 -13.322 5.416 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.659 -12.672 5.616 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.800 -14.146 6.049 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -4.155 -13.859 6.161 1.00 0.00 C ATOM 0 H TRP A 113 1.996 -9.576 3.589 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.094 -9.984 5.670 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.135 -10.354 2.926 1.00 0.00 H new ATOM 0 HB3 TRP A 113 0.118 -11.963 3.573 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.555 -9.258 3.346 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.822 -10.118 4.263 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.815 -13.577 5.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.706 -12.415 5.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.445 -15.070 6.481 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -4.816 -14.548 6.666 1.00 0.00 H new ATOM 1877 N GLU A 114 2.039 -12.319 4.814 1.00 0.00 N ATOM 1878 CA GLU A 114 2.898 -13.372 5.329 1.00 0.00 C ATOM 1879 C GLU A 114 4.021 -12.773 6.178 1.00 0.00 C ATOM 1880 O GLU A 114 4.749 -13.499 6.853 1.00 0.00 O ATOM 1881 CB GLU A 114 3.465 -14.223 4.191 1.00 0.00 C ATOM 1882 CG GLU A 114 2.406 -15.181 3.642 1.00 0.00 C ATOM 1883 CD GLU A 114 2.590 -16.588 4.214 1.00 0.00 C ATOM 1884 OE1 GLU A 114 2.901 -16.673 5.422 1.00 0.00 O ATOM 1885 OE2 GLU A 114 2.416 -17.546 3.431 1.00 0.00 O ATOM 0 H GLU A 114 1.906 -12.334 3.803 1.00 0.00 H new ATOM 0 HA GLU A 114 2.299 -14.025 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.824 -13.575 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.323 -14.791 4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.412 -14.811 3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.470 -15.215 2.554 1.00 0.00 H new ATOM 1892 N ASN A 115 4.128 -11.453 6.115 1.00 0.00 N ATOM 1893 CA ASN A 115 5.150 -10.748 6.869 1.00 0.00 C ATOM 1894 C ASN A 115 4.541 -10.209 8.165 1.00 0.00 C ATOM 1895 O ASN A 115 5.238 -9.606 8.979 1.00 0.00 O ATOM 1896 CB ASN A 115 5.700 -9.562 6.076 1.00 0.00 C ATOM 1897 CG ASN A 115 5.705 -9.861 4.575 1.00 0.00 C ATOM 1898 OD1 ASN A 115 5.347 -10.939 4.129 1.00 0.00 O ATOM 1899 ND2 ASN A 115 6.130 -8.849 3.823 1.00 0.00 N ATOM 0 H ASN A 115 3.523 -10.854 5.553 1.00 0.00 H new ATOM 0 HA ASN A 115 5.959 -11.449 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.095 -8.677 6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.713 -9.336 6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.171 -8.949 2.809 1.00 0.00 H new ATOM 0 HD22 ASN A 115 6.415 -7.973 4.261 1.00 0.00 H new ATOM 1906 N LYS A 116 3.245 -10.445 8.315 1.00 0.00 N ATOM 1907 CA LYS A 116 2.534 -9.990 9.498 1.00 0.00 C ATOM 1908 C LYS A 116 2.916 -8.537 9.790 1.00 0.00 C ATOM 1909 O LYS A 116 3.020 -8.140 10.950 1.00 0.00 O ATOM 1910 CB LYS A 116 2.784 -10.939 10.671 1.00 0.00 C ATOM 1911 CG LYS A 116 4.171 -10.713 11.275 1.00 0.00 C ATOM 1912 CD LYS A 116 5.149 -11.801 10.826 1.00 0.00 C ATOM 1913 CE LYS A 116 4.609 -13.194 11.158 1.00 0.00 C ATOM 1914 NZ LYS A 116 4.133 -13.871 9.931 1.00 0.00 N ATOM 0 H LYS A 116 2.670 -10.945 7.637 1.00 0.00 H new ATOM 0 HA LYS A 116 1.458 -10.009 9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 116 2.022 -10.787 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 116 2.695 -11.971 10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 116 4.547 -9.735 10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.101 -10.708 12.363 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.321 -11.720 9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.112 -11.654 11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 116 5.390 -13.790 11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.793 -13.113 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.254 -14.387 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.952 -13.162 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.858 -14.540 9.600 1.00 0.00 H new ATOM 1928 N LEU A 117 3.116 -7.784 8.719 1.00 0.00 N ATOM 1929 CA LEU A 117 3.484 -6.384 8.846 1.00 0.00 C ATOM 1930 C LEU A 117 2.677 -5.556 7.844 1.00 0.00 C ATOM 1931 O LEU A 117 2.295 -6.055 6.786 1.00 0.00 O ATOM 1932 CB LEU A 117 4.998 -6.214 8.707 1.00 0.00 C ATOM 1933 CG LEU A 117 5.781 -6.082 10.014 1.00 0.00 C ATOM 1934 CD1 LEU A 117 7.157 -6.741 9.898 1.00 0.00 C ATOM 1935 CD2 LEU A 117 5.881 -4.619 10.448 1.00 0.00 C ATOM 0 H LEU A 117 3.030 -8.117 7.759 1.00 0.00 H new ATOM 0 HA LEU A 117 3.235 -6.013 9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.390 -7.069 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.190 -5.329 8.101 1.00 0.00 H new ATOM 0 HG LEU A 117 5.235 -6.612 10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.693 -6.633 10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.035 -7.800 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.724 -6.261 9.101 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.443 -4.554 11.380 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.392 -4.044 9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.880 -4.215 10.598 1.00 0.00 H new ATOM 1947 N VAL A 118 2.442 -4.305 8.212 1.00 0.00 N ATOM 1948 CA VAL A 118 1.688 -3.403 7.358 1.00 0.00 C ATOM 1949 C VAL A 118 2.129 -1.964 7.629 1.00 0.00 C ATOM 1950 O VAL A 118 2.777 -1.689 8.638 1.00 0.00 O ATOM 1951 CB VAL A 118 0.187 -3.618 7.567 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.614 -2.416 7.062 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.281 -4.910 6.894 1.00 0.00 C ATOM 0 H VAL A 118 2.760 -3.895 9.090 1.00 0.00 H new ATOM 0 HA VAL A 118 1.890 -3.612 6.308 1.00 0.00 H new ATOM 0 HB VAL A 118 0.008 -3.714 8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.677 -2.594 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.310 -1.522 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -0.426 -2.275 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.351 -5.039 7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.082 -4.856 5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.256 -5.757 7.320 1.00 0.00 H new ATOM 1963 N GLY A 119 1.759 -1.083 6.711 1.00 0.00 N ATOM 1964 CA GLY A 119 2.109 0.322 6.838 1.00 0.00 C ATOM 1965 C GLY A 119 1.757 1.092 5.564 1.00 0.00 C ATOM 1966 O GLY A 119 2.387 0.902 4.525 1.00 0.00 O ATOM 0 H GLY A 119 1.220 -1.315 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.582 0.756 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.175 0.418 7.042 1.00 0.00 H new ATOM 1970 N ASN A 120 0.750 1.945 5.685 1.00 0.00 N ATOM 1971 CA ASN A 120 0.306 2.745 4.557 1.00 0.00 C ATOM 1972 C ASN A 120 1.320 3.861 4.298 1.00 0.00 C ATOM 1973 O ASN A 120 1.300 4.891 4.971 1.00 0.00 O ATOM 1974 CB ASN A 120 -1.050 3.394 4.841 1.00 0.00 C ATOM 1975 CG ASN A 120 -1.373 4.467 3.799 1.00 0.00 C ATOM 1976 OD1 ASN A 120 -2.417 4.177 3.029 1.00 0.00 O flip ATOM 1977 ND2 ASN A 120 -0.717 5.491 3.701 1.00 0.00 N flip ATOM 0 H ASN A 120 0.229 2.099 6.548 1.00 0.00 H new ATOM 0 HA ASN A 120 0.216 2.088 3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -1.830 2.632 4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.043 3.839 5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 120 0.074 5.652 4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.959 6.186 2.995 1.00 0.00 H new ATOM 1984 N GLU A 121 2.182 3.619 3.321 1.00 0.00 N ATOM 1985 CA GLU A 121 3.202 4.591 2.966 1.00 0.00 C ATOM 1986 C GLU A 121 4.365 3.903 2.249 1.00 0.00 C ATOM 1987 O GLU A 121 4.603 2.712 2.446 1.00 0.00 O ATOM 1988 CB GLU A 121 3.692 5.350 4.201 1.00 0.00 C ATOM 1989 CG GLU A 121 3.037 6.730 4.292 1.00 0.00 C ATOM 1990 CD GLU A 121 2.626 7.048 5.731 1.00 0.00 C ATOM 1991 OE1 GLU A 121 3.459 6.795 6.628 1.00 0.00 O ATOM 1992 OE2 GLU A 121 1.489 7.536 5.902 1.00 0.00 O ATOM 0 H GLU A 121 2.195 2.764 2.765 1.00 0.00 H new ATOM 0 HA GLU A 121 2.760 5.318 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.465 4.776 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.776 5.460 4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.730 7.490 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.161 6.764 3.644 1.00 0.00 H new ATOM 1999 N PRO A 122 5.077 4.702 1.410 1.00 0.00 N ATOM 2000 CA PRO A 122 6.209 4.181 0.662 1.00 0.00 C ATOM 2001 C PRO A 122 7.426 3.993 1.571 1.00 0.00 C ATOM 2002 O PRO A 122 8.317 3.203 1.264 1.00 0.00 O ATOM 2003 CB PRO A 122 6.447 5.194 -0.446 1.00 0.00 C ATOM 2004 CG PRO A 122 5.746 6.468 -0.005 1.00 0.00 C ATOM 2005 CD PRO A 122 4.824 6.116 1.151 1.00 0.00 C ATOM 0 HA PRO A 122 6.019 3.192 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.513 5.366 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.046 4.836 -1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.475 7.218 0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.177 6.896 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.040 6.724 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.780 6.290 0.892 1.00 0.00 H new ATOM 2013 N ALA A 123 7.423 4.731 2.670 1.00 0.00 N ATOM 2014 CA ALA A 123 8.516 4.655 3.626 1.00 0.00 C ATOM 2015 C ALA A 123 8.388 3.365 4.438 1.00 0.00 C ATOM 2016 O ALA A 123 9.391 2.790 4.858 1.00 0.00 O ATOM 2017 CB ALA A 123 8.509 5.904 4.510 1.00 0.00 C ATOM 0 H ALA A 123 6.682 5.385 2.921 1.00 0.00 H new ATOM 0 HA ALA A 123 9.476 4.626 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.328 5.847 5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 123 8.632 6.791 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 123 7.562 5.965 5.046 1.00 0.00 H new ATOM 2023 N ASP A 124 7.146 2.948 4.635 1.00 0.00 N ATOM 2024 CA ASP A 124 6.875 1.736 5.389 1.00 0.00 C ATOM 2025 C ASP A 124 7.700 0.585 4.811 1.00 0.00 C ATOM 2026 O ASP A 124 8.125 -0.308 5.544 1.00 0.00 O ATOM 2027 CB ASP A 124 5.397 1.350 5.298 1.00 0.00 C ATOM 2028 CG ASP A 124 5.059 -0.044 5.830 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.796 -0.503 6.729 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.070 -0.619 5.326 1.00 0.00 O ATOM 0 H ASP A 124 6.316 3.428 4.286 1.00 0.00 H new ATOM 0 HA ASP A 124 7.136 1.922 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.810 2.085 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.085 1.410 4.255 1.00 0.00 H new ATOM 2035 N ILE A 125 7.903 0.642 3.503 1.00 0.00 N ATOM 2036 CA ILE A 125 8.670 -0.384 2.819 1.00 0.00 C ATOM 2037 C ILE A 125 10.136 -0.288 3.245 1.00 0.00 C ATOM 2038 O ILE A 125 10.711 -1.262 3.730 1.00 0.00 O ATOM 2039 CB ILE A 125 8.462 -0.290 1.306 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.381 -1.268 0.839 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.780 -0.493 0.557 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.598 -1.667 -0.622 1.00 0.00 C ATOM 0 H ILE A 125 7.549 1.384 2.899 1.00 0.00 H new ATOM 0 HA ILE A 125 8.319 -1.376 3.105 1.00 0.00 H new ATOM 0 HB ILE A 125 8.110 0.715 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.394 -2.158 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.398 -0.811 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.603 -0.421 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.492 0.274 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.185 -1.477 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.817 -2.362 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.561 -0.778 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.572 -2.146 -0.728 1.00 0.00 H new ATOM 2054 N ASP A 126 10.700 0.894 3.048 1.00 0.00 N ATOM 2055 CA ASP A 126 12.089 1.130 3.405 1.00 0.00 C ATOM 2056 C ASP A 126 12.291 0.809 4.887 1.00 0.00 C ATOM 2057 O ASP A 126 13.192 0.051 5.244 1.00 0.00 O ATOM 2058 CB ASP A 126 12.474 2.594 3.182 1.00 0.00 C ATOM 2059 CG ASP A 126 13.679 3.076 3.992 1.00 0.00 C ATOM 2060 OD1 ASP A 126 13.455 3.497 5.147 1.00 0.00 O ATOM 2061 OD2 ASP A 126 14.798 3.013 3.437 1.00 0.00 O ATOM 0 H ASP A 126 10.220 1.699 2.646 1.00 0.00 H new ATOM 0 HA ASP A 126 12.712 0.494 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.685 2.741 2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.617 3.221 3.427 1.00 0.00 H new ATOM 2066 N LYS A 127 11.438 1.401 5.710 1.00 0.00 N ATOM 2067 CA LYS A 127 11.512 1.186 7.145 1.00 0.00 C ATOM 2068 C LYS A 127 11.662 -0.310 7.426 1.00 0.00 C ATOM 2069 O LYS A 127 12.556 -0.720 8.165 1.00 0.00 O ATOM 2070 CB LYS A 127 10.310 1.826 7.845 1.00 0.00 C ATOM 2071 CG LYS A 127 10.585 3.295 8.173 1.00 0.00 C ATOM 2072 CD LYS A 127 10.818 4.107 6.898 1.00 0.00 C ATOM 2073 CE LYS A 127 11.384 5.490 7.225 1.00 0.00 C ATOM 2074 NZ LYS A 127 12.194 5.440 8.463 1.00 0.00 N ATOM 0 H LYS A 127 10.692 2.029 5.411 1.00 0.00 H new ATOM 0 HA LYS A 127 12.392 1.678 7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.430 1.751 7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.086 1.281 8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.743 3.712 8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.459 3.369 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 127 11.507 3.573 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.880 4.213 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 127 11.997 5.843 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 127 10.569 6.204 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 12.758 6.310 8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 11.564 5.358 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 12.829 4.617 8.429 1.00 0.00 H new ATOM 2088 N TYR A 128 10.774 -1.085 6.822 1.00 0.00 N ATOM 2089 CA TYR A 128 10.797 -2.528 6.997 1.00 0.00 C ATOM 2090 C TYR A 128 11.627 -3.200 5.902 1.00 0.00 C ATOM 2091 O TYR A 128 12.840 -3.351 6.042 1.00 0.00 O ATOM 2092 CB TYR A 128 9.344 -2.990 6.876 1.00 0.00 C ATOM 2093 CG TYR A 128 9.145 -4.488 7.118 1.00 0.00 C ATOM 2094 CD1 TYR A 128 10.171 -5.243 7.649 1.00 0.00 C ATOM 2095 CD2 TYR A 128 7.940 -5.084 6.805 1.00 0.00 C ATOM 2096 CE1 TYR A 128 9.984 -6.653 7.876 1.00 0.00 C ATOM 2097 CE2 TYR A 128 7.753 -6.493 7.033 1.00 0.00 C ATOM 2098 CZ TYR A 128 8.784 -7.208 7.557 1.00 0.00 C ATOM 2099 OH TYR A 128 8.608 -8.539 7.772 1.00 0.00 O ATOM 0 H TYR A 128 10.033 -0.741 6.210 1.00 0.00 H new ATOM 0 HA TYR A 128 11.241 -2.791 7.957 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.736 -2.433 7.589 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.976 -2.741 5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 128 11.114 -4.777 7.894 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.137 -4.493 6.389 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.779 -7.256 8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.815 -6.971 6.793 1.00 0.00 H new ATOM 0 HH TYR A 128 8.884 -8.762 8.685 1.00 0.00 H new ATOM 2109 N ILE A 129 10.940 -3.587 4.837 1.00 0.00 N ATOM 2110 CA ILE A 129 11.599 -4.240 3.719 1.00 0.00 C ATOM 2111 C ILE A 129 11.792 -3.230 2.586 1.00 0.00 C ATOM 2112 O ILE A 129 10.929 -3.087 1.722 1.00 0.00 O ATOM 2113 CB ILE A 129 10.827 -5.493 3.300 1.00 0.00 C ATOM 2114 CG1 ILE A 129 9.380 -5.436 3.794 1.00 0.00 C ATOM 2115 CG2 ILE A 129 11.544 -6.760 3.769 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.651 -4.220 3.218 1.00 0.00 C ATOM 0 H ILE A 129 9.934 -3.461 4.725 1.00 0.00 H new ATOM 0 HA ILE A 129 12.590 -4.586 4.011 1.00 0.00 H new ATOM 0 HB ILE A 129 10.794 -5.526 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.857 -6.348 3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.365 -5.391 4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.975 -7.636 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 129 12.540 -6.799 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 129 11.629 -6.749 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.625 -4.204 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.162 -3.309 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.646 -4.280 2.130 1.00 0.00 H new ATOM 2128 N ILE A 130 12.932 -2.554 2.627 1.00 0.00 N ATOM 2129 CA ILE A 130 13.250 -1.562 1.614 1.00 0.00 C ATOM 2130 C ILE A 130 12.933 -2.131 0.230 1.00 0.00 C ATOM 2131 O ILE A 130 12.235 -3.138 0.114 1.00 0.00 O ATOM 2132 CB ILE A 130 14.696 -1.085 1.767 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.652 -2.272 1.908 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.829 -0.101 2.930 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.989 -2.870 0.540 1.00 0.00 C ATOM 0 H ILE A 130 13.646 -2.674 3.346 1.00 0.00 H new ATOM 0 HA ILE A 130 12.630 -0.675 1.743 1.00 0.00 H new ATOM 0 HB ILE A 130 14.977 -0.550 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 130 16.568 -1.949 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 130 15.199 -3.035 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.866 0.222 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 130 14.193 0.765 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.522 -0.588 3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.670 -3.712 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 130 15.074 -3.214 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 130 16.464 -2.111 -0.082 1.00 0.00 H new ATOM 2147 N GLN A 131 13.460 -1.463 -0.785 1.00 0.00 N ATOM 2148 CA GLN A 131 13.242 -1.890 -2.156 1.00 0.00 C ATOM 2149 C GLN A 131 13.578 -3.374 -2.310 1.00 0.00 C ATOM 2150 O GLN A 131 12.754 -4.156 -2.783 1.00 0.00 O ATOM 2151 CB GLN A 131 14.058 -1.039 -3.132 1.00 0.00 C ATOM 2152 CG GLN A 131 14.093 0.424 -2.686 1.00 0.00 C ATOM 2153 CD GLN A 131 14.486 1.341 -3.846 1.00 0.00 C ATOM 2154 OE1 GLN A 131 14.721 0.908 -4.962 1.00 0.00 O ATOM 2155 NE2 GLN A 131 14.543 2.630 -3.521 1.00 0.00 N ATOM 0 H GLN A 131 14.038 -0.628 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 131 12.188 -1.750 -2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.074 -1.428 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN A 131 13.626 -1.108 -4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 131 13.115 0.715 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.803 0.542 -1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.334 2.925 -2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 131 14.796 3.323 -4.226 1.00 0.00 H new ATOM 2164 N ARG A 132 14.791 -3.719 -1.901 1.00 0.00 N ATOM 2165 CA ARG A 132 15.246 -5.096 -1.987 1.00 0.00 C ATOM 2166 C ARG A 132 15.734 -5.580 -0.621 1.00 0.00 C ATOM 2167 O ARG A 132 16.910 -5.436 -0.290 1.00 0.00 O ATOM 2168 CB ARG A 132 16.379 -5.239 -3.006 1.00 0.00 C ATOM 2169 CG ARG A 132 16.395 -6.642 -3.616 1.00 0.00 C ATOM 2170 CD ARG A 132 14.975 -7.124 -3.918 1.00 0.00 C ATOM 2171 NE ARG A 132 14.188 -6.031 -4.531 1.00 0.00 N ATOM 2172 CZ ARG A 132 13.004 -6.204 -5.134 1.00 0.00 C ATOM 2173 NH1 ARG A 132 12.462 -7.427 -5.208 1.00 0.00 N ATOM 2174 NH2 ARG A 132 12.362 -5.153 -5.662 1.00 0.00 N ATOM 0 H ARG A 132 15.472 -3.068 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 132 14.402 -5.705 -2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.259 -4.497 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 132 17.335 -5.038 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.984 -6.637 -4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 132 16.880 -7.336 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 132 15.009 -7.981 -4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 132 14.493 -7.459 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 132 14.571 -5.086 -4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 132 12.951 -8.227 -4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 132 11.561 -7.558 -5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 132 12.775 -4.222 -5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 132 11.461 -5.284 -6.121 1.00 0.00 H new ATOM 2188 N LYS A 133 14.806 -6.145 0.138 1.00 0.00 N ATOM 2189 CA LYS A 133 15.126 -6.651 1.461 1.00 0.00 C ATOM 2190 C LYS A 133 16.524 -7.273 1.440 1.00 0.00 C ATOM 2191 O LYS A 133 16.762 -8.297 2.079 1.00 0.00 O ATOM 2192 CB LYS A 133 14.035 -7.607 1.948 1.00 0.00 C ATOM 2193 CG LYS A 133 14.190 -8.988 1.308 1.00 0.00 C ATOM 2194 CD LYS A 133 14.390 -10.067 2.374 1.00 0.00 C ATOM 2195 CE LYS A 133 13.945 -11.437 1.857 1.00 0.00 C ATOM 2196 NZ LYS A 133 14.881 -12.491 2.310 1.00 0.00 N ATOM 0 H LYS A 133 13.832 -6.263 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 133 15.150 -5.836 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.084 -7.698 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.054 -7.198 1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.306 -9.219 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 133 15.040 -8.983 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 133 15.440 -10.107 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 133 13.822 -9.810 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 133 12.939 -11.658 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 133 13.901 -11.425 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.565 -13.414 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 15.835 -12.287 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.902 -12.513 3.350 1.00 0.00 H new