USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 675 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 39 SER OG : rot -157:sc= -0.108 USER MOD Set 1.2: A 48 TYR OH : rot 0:sc= -1.97! USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc=0.000818 USER MOD Set 2.2: A 34 THR OG1 : rot 100:sc= 0.0016 USER MOD Set 2.3: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.62 K(o=0.62,f=-3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 12:sc= -1.47 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.7! C(o=-1.7!,f=-2.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -2.35 USER MOD Single : A 36 HIS : no HE2:sc= -1.4 X(o=-1.4,f=-1.4) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.92) USER MOD Single : A 52 TYR OH : rot 134:sc= 0.152 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -155:sc= -0.0728 (180deg=-0.495) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= -0.0393 (180deg=-0.306) USER MOD Single : A 79 GLN : amide:sc= -1.58 X(o=-1.6,f=-2.1!) USER MOD Single : A 80 ASN : amide:sc= 0.64 K(o=0.64,f=-0.65) USER MOD Single : A 81 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.022) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 85 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.27) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 93:sc= 0.171 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.606 USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= -0.0108 (180deg=-0.277) USER MOD Single : A 101 ASN : amide:sc= -3.05 K(o=-3.1,f=-15!) USER MOD Single : A 102 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.7!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -3.19 K(o=-3.2,f=-4.2!) USER MOD Single : A 108 SER OG : rot 135:sc= 1.2 USER MOD Single : A 111 THR OG1 : rot -130:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -125:sc= -1.48! (180deg=-3.64!) USER MOD Single : A 115 THR OG1 : rot -169:sc= 0.246 USER MOD Single : A 116 ASN : amide:sc= -0.645 X(o=-0.64,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.840 -15.736 -6.034 1.00 0.00 N ATOM 174 CA ALA A 15 -4.662 -14.306 -5.809 1.00 0.00 C ATOM 175 C ALA A 15 -3.884 -14.045 -4.524 1.00 0.00 C ATOM 176 O ALA A 15 -4.025 -14.757 -3.529 1.00 0.00 O ATOM 177 CB ALA A 15 -6.012 -13.607 -5.763 1.00 0.00 C ATOM 0 HA ALA A 15 -4.084 -13.902 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.864 -12.540 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.531 -13.756 -6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.610 -14.023 -4.952 1.00 0.00 H new ATOM 183 N PRO A 16 -3.043 -13.001 -4.542 1.00 0.00 N ATOM 184 CA PRO A 16 -2.226 -12.622 -3.385 1.00 0.00 C ATOM 185 C PRO A 16 -3.064 -12.052 -2.246 1.00 0.00 C ATOM 186 O PRO A 16 -3.795 -11.080 -2.427 1.00 0.00 O ATOM 187 CB PRO A 16 -1.289 -11.550 -3.948 1.00 0.00 C ATOM 188 CG PRO A 16 -2.025 -10.977 -5.110 1.00 0.00 C ATOM 189 CD PRO A 16 -2.824 -12.109 -5.693 1.00 0.00 C ATOM 0 HA PRO A 16 -1.706 -13.478 -2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.069 -10.786 -3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.336 -11.979 -4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.676 -10.161 -4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.334 -10.568 -5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.766 -11.760 -6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.282 -12.612 -6.494 1.00 0.00 H new ATOM 197 N ASN A 17 -2.951 -12.664 -1.071 1.00 0.00 N ATOM 198 CA ASN A 17 -3.698 -12.217 0.098 1.00 0.00 C ATOM 199 C ASN A 17 -3.733 -10.694 0.172 1.00 0.00 C ATOM 200 O ASN A 17 -2.721 -10.016 -0.006 1.00 0.00 O ATOM 201 CB ASN A 17 -3.077 -12.787 1.375 1.00 0.00 C ATOM 202 CG ASN A 17 -2.675 -14.241 1.223 1.00 0.00 C ATOM 203 OD1 ASN A 17 -1.737 -14.565 0.494 1.00 0.00 O ATOM 204 ND2 ASN A 17 -3.385 -15.126 1.913 1.00 0.00 N ATOM 0 H ASN A 17 -2.349 -13.471 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.721 -12.582 0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.201 -12.197 1.644 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.789 -12.693 2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.161 -16.119 1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.154 -14.813 2.505 1.00 0.00 H new ATOM 211 N PRO A 18 -4.926 -10.142 0.442 1.00 0.00 N ATOM 212 CA PRO A 18 -5.122 -8.693 0.547 1.00 0.00 C ATOM 213 C PRO A 18 -4.459 -8.107 1.790 1.00 0.00 C ATOM 214 O PRO A 18 -4.700 -8.544 2.915 1.00 0.00 O ATOM 215 CB PRO A 18 -6.643 -8.546 0.632 1.00 0.00 C ATOM 216 CG PRO A 18 -7.118 -9.843 1.190 1.00 0.00 C ATOM 217 CD PRO A 18 -6.174 -10.890 0.666 1.00 0.00 C ATOM 0 HA PRO A 18 -4.675 -8.159 -0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.925 -7.712 1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.078 -8.354 -0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.114 -9.824 2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.142 -10.050 0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.034 -11.700 1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.544 -11.340 -0.255 1.00 0.00 H new ATOM 225 N PRO A 19 -3.605 -7.094 1.584 1.00 0.00 N ATOM 226 CA PRO A 19 -2.892 -6.426 2.676 1.00 0.00 C ATOM 227 C PRO A 19 -3.821 -5.593 3.552 1.00 0.00 C ATOM 228 O PRO A 19 -4.877 -5.145 3.103 1.00 0.00 O ATOM 229 CB PRO A 19 -1.893 -5.523 1.948 1.00 0.00 C ATOM 230 CG PRO A 19 -2.511 -5.271 0.616 1.00 0.00 C ATOM 231 CD PRO A 19 -3.270 -6.522 0.269 1.00 0.00 C ATOM 0 HA PRO A 19 -2.426 -7.141 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.731 -4.592 2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.921 -6.007 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.176 -4.408 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.749 -5.056 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.165 -6.301 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.665 -7.207 -0.325 1.00 0.00 H new ATOM 239 N SER A 20 -3.423 -5.389 4.803 1.00 0.00 N ATOM 240 CA SER A 20 -4.222 -4.612 5.743 1.00 0.00 C ATOM 241 C SER A 20 -3.514 -3.313 6.116 1.00 0.00 C ATOM 242 O SER A 20 -2.613 -3.304 6.956 1.00 0.00 O ATOM 243 CB SER A 20 -4.505 -5.432 7.004 1.00 0.00 C ATOM 244 OG SER A 20 -5.708 -6.169 6.874 1.00 0.00 O ATOM 0 H SER A 20 -2.551 -5.751 5.190 1.00 0.00 H new ATOM 0 HA SER A 20 -5.167 -4.364 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.676 -6.114 7.192 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.573 -4.768 7.866 1.00 0.00 H new ATOM 0 HG SER A 20 -5.865 -6.686 7.692 1.00 0.00 H new ATOM 250 N ILE A 21 -3.927 -2.219 5.485 1.00 0.00 N ATOM 251 CA ILE A 21 -3.333 -0.915 5.750 1.00 0.00 C ATOM 252 C ILE A 21 -3.700 -0.417 7.144 1.00 0.00 C ATOM 253 O ILE A 21 -4.853 -0.079 7.411 1.00 0.00 O ATOM 254 CB ILE A 21 -3.781 0.130 4.710 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.432 -0.343 3.298 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.135 1.476 5.000 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.180 0.397 2.211 1.00 0.00 C ATOM 0 H ILE A 21 -4.671 -2.210 4.787 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.252 -1.041 5.684 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.863 0.247 4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.361 -0.222 3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.649 -1.408 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.461 2.204 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.430 1.815 5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.050 1.376 4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.883 0.010 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.252 0.256 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.944 1.460 2.266 1.00 0.00 H new ATOM 269 N ARG A 22 -2.710 -0.373 8.030 1.00 0.00 N ATOM 270 CA ARG A 22 -2.927 0.084 9.397 1.00 0.00 C ATOM 271 C ARG A 22 -2.988 1.607 9.458 1.00 0.00 C ATOM 272 O ARG A 22 -2.034 2.290 9.088 1.00 0.00 O ATOM 273 CB ARG A 22 -1.814 -0.430 10.312 1.00 0.00 C ATOM 274 CG ARG A 22 -1.708 -1.946 10.351 1.00 0.00 C ATOM 275 CD ARG A 22 -2.728 -2.552 11.302 1.00 0.00 C ATOM 276 NE ARG A 22 -2.223 -2.626 12.671 1.00 0.00 N ATOM 277 CZ ARG A 22 -1.196 -3.386 13.035 1.00 0.00 C ATOM 278 NH1 ARG A 22 -0.568 -4.132 12.137 1.00 0.00 N ATOM 279 NH2 ARG A 22 -0.795 -3.400 14.300 1.00 0.00 N ATOM 0 H ARG A 22 -1.750 -0.648 7.825 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.882 -0.314 9.739 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.862 -0.016 9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.987 -0.060 11.323 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.859 -2.348 9.349 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.704 -2.234 10.662 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.640 -1.955 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.994 -3.552 10.959 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.684 -2.064 13.386 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.873 -4.123 11.164 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.220 -4.715 12.419 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.275 -2.827 14.994 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.006 -3.984 14.579 1.00 0.00 H new ATOM 293 N GLU A 23 -4.116 2.131 9.926 1.00 0.00 N ATOM 294 CA GLU A 23 -4.301 3.574 10.034 1.00 0.00 C ATOM 295 C GLU A 23 -3.742 4.097 11.354 1.00 0.00 C ATOM 296 O GLU A 23 -3.569 5.302 11.531 1.00 0.00 O ATOM 297 CB GLU A 23 -5.785 3.930 9.918 1.00 0.00 C ATOM 298 CG GLU A 23 -6.416 3.491 8.608 1.00 0.00 C ATOM 299 CD GLU A 23 -7.892 3.173 8.749 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.715 4.099 8.594 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.224 1.999 9.014 1.00 0.00 O ATOM 0 H GLU A 23 -4.915 1.579 10.236 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.757 4.047 9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.326 3.469 10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.900 5.009 10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.287 4.278 7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.893 2.611 8.234 1.00 0.00 H new ATOM 308 N GLU A 24 -3.464 3.181 12.276 1.00 0.00 N ATOM 309 CA GLU A 24 -2.926 3.550 13.580 1.00 0.00 C ATOM 310 C GLU A 24 -1.408 3.694 13.522 1.00 0.00 C ATOM 311 O GLU A 24 -0.811 4.423 14.316 1.00 0.00 O ATOM 312 CB GLU A 24 -3.310 2.505 14.630 1.00 0.00 C ATOM 313 CG GLU A 24 -2.630 1.161 14.428 1.00 0.00 C ATOM 314 CD GLU A 24 -2.981 0.162 15.513 1.00 0.00 C ATOM 315 OE1 GLU A 24 -2.657 0.426 16.690 1.00 0.00 O ATOM 316 OE2 GLU A 24 -3.579 -0.885 15.185 1.00 0.00 O ATOM 0 H GLU A 24 -3.602 2.179 12.144 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.355 4.512 13.861 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.056 2.886 15.619 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.390 2.363 14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.917 0.755 13.458 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.550 1.304 14.406 1.00 0.00 H new ATOM 323 N LEU A 25 -0.789 2.994 12.578 1.00 0.00 N ATOM 324 CA LEU A 25 0.660 3.042 12.415 1.00 0.00 C ATOM 325 C LEU A 25 1.054 4.051 11.341 1.00 0.00 C ATOM 326 O LEU A 25 2.155 4.602 11.367 1.00 0.00 O ATOM 327 CB LEU A 25 1.198 1.657 12.052 1.00 0.00 C ATOM 328 CG LEU A 25 0.663 0.490 12.883 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.069 -0.837 12.261 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.162 0.584 14.318 1.00 0.00 C ATOM 0 H LEU A 25 -1.268 2.386 11.913 1.00 0.00 H new ATOM 0 HA LEU A 25 1.097 3.358 13.362 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.971 1.464 11.003 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.284 1.675 12.145 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.426 0.545 12.894 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.680 -1.656 12.865 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.662 -0.905 11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.156 -0.902 12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.771 -0.254 14.895 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.252 0.554 14.327 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.821 1.520 14.761 1.00 0.00 H new ATOM 342 N CYS A 26 0.147 4.290 10.400 1.00 0.00 N ATOM 343 CA CYS A 26 0.399 5.234 9.318 1.00 0.00 C ATOM 344 C CYS A 26 0.430 6.666 9.841 1.00 0.00 C ATOM 345 O CYS A 26 -0.479 7.099 10.551 1.00 0.00 O ATOM 346 CB CYS A 26 -0.671 5.097 8.234 1.00 0.00 C ATOM 347 SG CYS A 26 -2.194 6.007 8.581 1.00 0.00 S ATOM 0 H CYS A 26 -0.769 3.843 10.365 1.00 0.00 H new ATOM 0 HA CYS A 26 1.373 5.003 8.888 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.260 5.446 7.287 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.912 4.041 8.108 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.997 6.820 9.576 1.00 0.00 H new ATOM 353 N THR A 27 1.482 7.398 9.488 1.00 0.00 N ATOM 354 CA THR A 27 1.633 8.781 9.924 1.00 0.00 C ATOM 355 C THR A 27 1.292 9.752 8.800 1.00 0.00 C ATOM 356 O THR A 27 1.173 9.357 7.640 1.00 0.00 O ATOM 357 CB THR A 27 3.066 9.062 10.414 1.00 0.00 C ATOM 358 OG1 THR A 27 3.974 9.048 9.307 1.00 0.00 O ATOM 359 CG2 THR A 27 3.498 8.029 11.444 1.00 0.00 C ATOM 0 H THR A 27 2.243 7.056 8.901 1.00 0.00 H new ATOM 0 HA THR A 27 0.939 8.930 10.751 1.00 0.00 H new ATOM 0 HB THR A 27 3.080 10.046 10.882 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.883 9.229 9.627 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.513 8.248 11.775 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.822 8.063 12.299 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.469 7.035 10.997 1.00 0.00 H new ATOM 367 N ALA A 28 1.137 11.025 9.150 1.00 0.00 N ATOM 368 CA ALA A 28 0.813 12.053 8.170 1.00 0.00 C ATOM 369 C ALA A 28 1.672 13.296 8.374 1.00 0.00 C ATOM 370 O ALA A 28 1.858 13.756 9.500 1.00 0.00 O ATOM 371 CB ALA A 28 -0.664 12.411 8.249 1.00 0.00 C ATOM 0 H ALA A 28 1.231 11.368 10.106 1.00 0.00 H new ATOM 0 HA ALA A 28 1.026 11.655 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.892 13.180 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.265 11.524 8.046 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.895 12.785 9.246 1.00 0.00 H new ATOM 377 N SER A 29 2.195 13.835 7.277 1.00 0.00 N ATOM 378 CA SER A 29 3.039 15.023 7.336 1.00 0.00 C ATOM 379 C SER A 29 2.691 15.993 6.211 1.00 0.00 C ATOM 380 O SER A 29 2.163 15.594 5.173 1.00 0.00 O ATOM 381 CB SER A 29 4.515 14.631 7.249 1.00 0.00 C ATOM 382 OG SER A 29 5.043 14.344 8.532 1.00 0.00 O ATOM 0 H SER A 29 2.049 13.468 6.337 1.00 0.00 H new ATOM 0 HA SER A 29 2.858 15.520 8.289 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.626 13.760 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.083 15.441 6.791 1.00 0.00 H new ATOM 0 HG SER A 29 5.987 14.095 8.449 1.00 0.00 H new ATOM 388 N HIS A 30 2.992 17.270 6.426 1.00 0.00 N ATOM 389 CA HIS A 30 2.712 18.299 5.430 1.00 0.00 C ATOM 390 C HIS A 30 2.925 17.761 4.018 1.00 0.00 C ATOM 391 O HIS A 30 1.973 17.604 3.253 1.00 0.00 O ATOM 392 CB HIS A 30 3.603 19.520 5.663 1.00 0.00 C ATOM 393 CG HIS A 30 4.997 19.172 6.085 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.312 18.730 7.352 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.163 19.201 5.397 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.612 18.505 7.427 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.151 18.782 6.254 1.00 0.00 N ATOM 0 H HIS A 30 3.429 17.617 7.280 1.00 0.00 H new ATOM 0 HA HIS A 30 1.668 18.595 5.533 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.646 20.109 4.747 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.148 20.151 6.426 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.292 19.498 4.367 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.143 18.154 8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.141 18.698 6.022 1.00 0.00 H new ATOM 406 N ASP A 31 4.179 17.481 3.680 1.00 0.00 N ATOM 407 CA ASP A 31 4.516 16.961 2.360 1.00 0.00 C ATOM 408 C ASP A 31 5.098 15.554 2.464 1.00 0.00 C ATOM 409 O ASP A 31 6.036 15.204 1.746 1.00 0.00 O ATOM 410 CB ASP A 31 5.513 17.888 1.663 1.00 0.00 C ATOM 411 CG ASP A 31 5.683 17.555 0.194 1.00 0.00 C ATOM 412 OD1 ASP A 31 4.844 17.999 -0.617 1.00 0.00 O ATOM 413 OD2 ASP A 31 6.656 16.848 -0.146 1.00 0.00 O ATOM 0 H ASP A 31 4.978 17.605 4.301 1.00 0.00 H new ATOM 0 HA ASP A 31 3.601 16.914 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.176 18.920 1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.479 17.819 2.162 1.00 0.00 H new ATOM 418 N THR A 32 4.536 14.751 3.362 1.00 0.00 N ATOM 419 CA THR A 32 5.000 13.384 3.561 1.00 0.00 C ATOM 420 C THR A 32 3.950 12.547 4.281 1.00 0.00 C ATOM 421 O THR A 32 3.186 13.061 5.099 1.00 0.00 O ATOM 422 CB THR A 32 6.311 13.348 4.369 1.00 0.00 C ATOM 423 OG1 THR A 32 6.369 14.468 5.259 1.00 0.00 O ATOM 424 CG2 THR A 32 7.518 13.366 3.443 1.00 0.00 C ATOM 0 H THR A 32 3.759 15.024 3.963 1.00 0.00 H new ATOM 0 HA THR A 32 5.180 12.964 2.571 1.00 0.00 H new ATOM 0 HB THR A 32 6.330 12.424 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.205 14.437 5.770 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.432 13.340 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.486 12.496 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.502 14.275 2.841 1.00 0.00 H new ATOM 432 N ILE A 33 3.917 11.255 3.973 1.00 0.00 N ATOM 433 CA ILE A 33 2.960 10.346 4.593 1.00 0.00 C ATOM 434 C ILE A 33 3.457 8.905 4.540 1.00 0.00 C ATOM 435 O ILE A 33 3.795 8.392 3.473 1.00 0.00 O ATOM 436 CB ILE A 33 1.582 10.428 3.910 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.962 11.810 4.127 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.662 9.339 4.442 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.452 11.927 3.603 1.00 0.00 C ATOM 0 H ILE A 33 4.542 10.814 3.298 1.00 0.00 H new ATOM 0 HA ILE A 33 2.859 10.655 5.633 1.00 0.00 H new ATOM 0 HB ILE A 33 1.714 10.274 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.966 12.038 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.585 12.559 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.308 9.410 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.101 8.362 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.533 9.464 5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.828 12.933 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.460 11.731 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.089 11.201 4.109 1.00 0.00 H new ATOM 451 N THR A 34 3.496 8.255 5.699 1.00 0.00 N ATOM 452 CA THR A 34 3.951 6.873 5.785 1.00 0.00 C ATOM 453 C THR A 34 2.778 5.921 5.987 1.00 0.00 C ATOM 454 O THR A 34 2.056 6.011 6.980 1.00 0.00 O ATOM 455 CB THR A 34 4.956 6.683 6.936 1.00 0.00 C ATOM 456 OG1 THR A 34 5.866 7.788 6.980 1.00 0.00 O ATOM 457 CG2 THR A 34 5.734 5.387 6.767 1.00 0.00 C ATOM 0 H THR A 34 3.218 8.664 6.591 1.00 0.00 H new ATOM 0 HA THR A 34 4.444 6.643 4.841 1.00 0.00 H new ATOM 0 HB THR A 34 4.398 6.635 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.581 8.419 7.674 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.438 5.275 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.042 4.545 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.281 5.411 5.824 1.00 0.00 H new ATOM 465 N VAL A 35 2.594 5.006 5.040 1.00 0.00 N ATOM 466 CA VAL A 35 1.509 4.035 5.116 1.00 0.00 C ATOM 467 C VAL A 35 2.036 2.649 5.469 1.00 0.00 C ATOM 468 O VAL A 35 2.803 2.053 4.711 1.00 0.00 O ATOM 469 CB VAL A 35 0.734 3.955 3.787 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.370 2.912 3.875 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.165 5.317 3.419 1.00 0.00 C ATOM 0 H VAL A 35 3.182 4.917 4.212 1.00 0.00 H new ATOM 0 HA VAL A 35 0.834 4.375 5.902 1.00 0.00 H new ATOM 0 HB VAL A 35 1.425 3.652 3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.907 2.869 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.067 1.937 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.063 3.182 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.379 5.242 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.513 5.652 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.979 6.034 3.311 1.00 0.00 H new ATOM 481 N HIS A 36 1.619 2.139 6.623 1.00 0.00 N ATOM 482 CA HIS A 36 2.049 0.821 7.077 1.00 0.00 C ATOM 483 C HIS A 36 0.984 -0.230 6.776 1.00 0.00 C ATOM 484 O HIS A 36 -0.165 -0.101 7.197 1.00 0.00 O ATOM 485 CB HIS A 36 2.348 0.847 8.576 1.00 0.00 C ATOM 486 CG HIS A 36 3.391 1.849 8.962 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.361 1.599 9.909 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.615 3.109 8.520 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.135 2.663 10.035 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.704 3.593 9.203 1.00 0.00 N ATOM 0 H HIS A 36 0.984 2.618 7.261 1.00 0.00 H new ATOM 0 HA HIS A 36 2.959 0.556 6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.428 1.066 9.118 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.675 -0.144 8.890 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.465 0.729 10.431 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.044 3.636 7.770 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.977 2.756 10.705 1.00 0.00 H new ATOM 499 N TRP A 37 1.376 -1.268 6.047 1.00 0.00 N ATOM 500 CA TRP A 37 0.454 -2.341 5.689 1.00 0.00 C ATOM 501 C TRP A 37 0.891 -3.663 6.312 1.00 0.00 C ATOM 502 O TRP A 37 2.076 -3.998 6.313 1.00 0.00 O ATOM 503 CB TRP A 37 0.369 -2.483 4.169 1.00 0.00 C ATOM 504 CG TRP A 37 1.706 -2.446 3.493 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.566 -3.493 3.319 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.338 -1.304 2.903 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.693 -3.071 2.656 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.577 -1.732 2.389 1.00 0.00 C ATOM 509 CE3 TRP A 37 1.975 0.038 2.758 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.454 -0.865 1.743 1.00 0.00 C ATOM 511 CZ3 TRP A 37 2.847 0.897 2.116 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.074 0.443 1.615 1.00 0.00 C ATOM 0 H TRP A 37 2.324 -1.390 5.692 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.532 -2.085 6.078 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.127 -3.423 3.926 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.254 -1.682 3.771 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.386 -4.504 3.653 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.487 -3.659 2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.031 0.397 3.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.401 -1.213 1.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.578 1.936 1.999 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.733 1.139 1.118 1.00 0.00 H new ATOM 523 N ILE A 38 -0.073 -4.410 6.840 1.00 0.00 N ATOM 524 CA ILE A 38 0.213 -5.696 7.464 1.00 0.00 C ATOM 525 C ILE A 38 -0.429 -6.840 6.686 1.00 0.00 C ATOM 526 O ILE A 38 -1.599 -6.769 6.311 1.00 0.00 O ATOM 527 CB ILE A 38 -0.285 -5.738 8.920 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.108 -7.062 9.579 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.792 -5.542 8.971 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.507 -7.059 10.156 1.00 0.00 C ATOM 0 H ILE A 38 -1.058 -4.147 6.848 1.00 0.00 H new ATOM 0 HA ILE A 38 1.296 -5.817 7.455 1.00 0.00 H new ATOM 0 HB ILE A 38 0.186 -4.925 9.472 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.603 -7.288 10.373 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.029 -7.862 8.843 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.128 -5.574 10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.048 -4.576 8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.281 -6.335 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.717 -8.029 10.607 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.228 -6.864 9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.586 -6.281 10.916 1.00 0.00 H new ATOM 542 N SER A 39 0.344 -7.894 6.448 1.00 0.00 N ATOM 543 CA SER A 39 -0.148 -9.053 5.713 1.00 0.00 C ATOM 544 C SER A 39 0.250 -10.349 6.413 1.00 0.00 C ATOM 545 O SER A 39 1.277 -10.413 7.088 1.00 0.00 O ATOM 546 CB SER A 39 0.394 -9.045 4.283 1.00 0.00 C ATOM 547 OG SER A 39 1.806 -8.920 4.273 1.00 0.00 O ATOM 0 H SER A 39 1.314 -7.969 6.754 1.00 0.00 H new ATOM 0 HA SER A 39 -1.236 -8.997 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.104 -9.965 3.776 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.051 -8.220 3.727 1.00 0.00 H new ATOM 0 HG SER A 39 2.096 -8.560 3.409 1.00 0.00 H new ATOM 553 N ASP A 40 -0.572 -11.380 6.246 1.00 0.00 N ATOM 554 CA ASP A 40 -0.306 -12.676 6.860 1.00 0.00 C ATOM 555 C ASP A 40 0.753 -13.443 6.074 1.00 0.00 C ATOM 556 O ASP A 40 1.500 -14.244 6.637 1.00 0.00 O ATOM 557 CB ASP A 40 -1.593 -13.499 6.942 1.00 0.00 C ATOM 558 CG ASP A 40 -2.618 -12.878 7.871 1.00 0.00 C ATOM 559 OD1 ASP A 40 -2.211 -12.174 8.818 1.00 0.00 O ATOM 560 OD2 ASP A 40 -3.828 -13.098 7.651 1.00 0.00 O ATOM 0 H ASP A 40 -1.427 -11.343 5.691 1.00 0.00 H new ATOM 0 HA ASP A 40 0.070 -12.502 7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.023 -13.597 5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.356 -14.505 7.287 1.00 0.00 H new ATOM 565 N ASP A 41 0.811 -13.194 4.770 1.00 0.00 N ATOM 566 CA ASP A 41 1.778 -13.860 3.907 1.00 0.00 C ATOM 567 C ASP A 41 2.460 -12.859 2.980 1.00 0.00 C ATOM 568 O ASP A 41 1.896 -12.458 1.962 1.00 0.00 O ATOM 569 CB ASP A 41 1.092 -14.951 3.083 1.00 0.00 C ATOM 570 CG ASP A 41 0.988 -16.264 3.834 1.00 0.00 C ATOM 571 OD1 ASP A 41 1.908 -16.572 4.620 1.00 0.00 O ATOM 572 OD2 ASP A 41 -0.013 -16.985 3.634 1.00 0.00 O ATOM 0 H ASP A 41 0.199 -12.535 4.288 1.00 0.00 H new ATOM 0 HA ASP A 41 2.538 -14.317 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.093 -14.616 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.648 -15.108 2.158 1.00 0.00 H new ATOM 577 N GLU A 42 3.675 -12.459 3.340 1.00 0.00 N ATOM 578 CA GLU A 42 4.432 -11.503 2.540 1.00 0.00 C ATOM 579 C GLU A 42 5.697 -12.145 1.977 1.00 0.00 C ATOM 580 O GLU A 42 6.649 -11.454 1.615 1.00 0.00 O ATOM 581 CB GLU A 42 4.800 -10.279 3.382 1.00 0.00 C ATOM 582 CG GLU A 42 5.922 -10.538 4.374 1.00 0.00 C ATOM 583 CD GLU A 42 6.582 -9.260 4.855 1.00 0.00 C ATOM 584 OE1 GLU A 42 7.216 -8.571 4.028 1.00 0.00 O ATOM 585 OE2 GLU A 42 6.463 -8.948 6.058 1.00 0.00 O ATOM 0 H GLU A 42 4.156 -12.782 4.180 1.00 0.00 H new ATOM 0 HA GLU A 42 3.804 -11.187 1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.094 -9.466 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.917 -9.943 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.526 -11.083 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.672 -11.177 3.909 1.00 0.00 H new ATOM 592 N PHE A 43 5.698 -13.472 1.905 1.00 0.00 N ATOM 593 CA PHE A 43 6.845 -14.209 1.387 1.00 0.00 C ATOM 594 C PHE A 43 6.631 -14.590 -0.075 1.00 0.00 C ATOM 595 O PHE A 43 7.579 -14.649 -0.857 1.00 0.00 O ATOM 596 CB PHE A 43 7.090 -15.466 2.223 1.00 0.00 C ATOM 597 CG PHE A 43 7.122 -15.206 3.702 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.946 -15.045 4.417 1.00 0.00 C ATOM 599 CD2 PHE A 43 8.329 -15.121 4.378 1.00 0.00 C ATOM 600 CE1 PHE A 43 5.972 -14.806 5.778 1.00 0.00 C ATOM 601 CE2 PHE A 43 8.362 -14.882 5.739 1.00 0.00 C ATOM 602 CZ PHE A 43 7.182 -14.723 6.439 1.00 0.00 C ATOM 0 H PHE A 43 4.917 -14.059 2.199 1.00 0.00 H new ATOM 0 HA PHE A 43 7.720 -13.562 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.308 -16.194 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.036 -15.915 1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.997 -15.107 3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.255 -15.243 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.048 -14.684 6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.309 -14.820 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.205 -14.534 7.502 1.00 0.00 H new ATOM 612 N SER A 44 5.378 -14.848 -0.436 1.00 0.00 N ATOM 613 CA SER A 44 5.039 -15.229 -1.802 1.00 0.00 C ATOM 614 C SER A 44 4.997 -14.005 -2.712 1.00 0.00 C ATOM 615 O SER A 44 5.459 -14.049 -3.853 1.00 0.00 O ATOM 616 CB SER A 44 3.690 -15.949 -1.834 1.00 0.00 C ATOM 617 OG SER A 44 3.627 -16.958 -0.841 1.00 0.00 O ATOM 0 H SER A 44 4.581 -14.800 0.199 1.00 0.00 H new ATOM 0 HA SER A 44 5.812 -15.906 -2.167 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.886 -15.229 -1.677 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.534 -16.392 -2.818 1.00 0.00 H new ATOM 0 HG SER A 44 2.754 -17.402 -0.881 1.00 0.00 H new ATOM 623 N ILE A 45 4.440 -12.913 -2.199 1.00 0.00 N ATOM 624 CA ILE A 45 4.338 -11.676 -2.964 1.00 0.00 C ATOM 625 C ILE A 45 5.678 -11.305 -3.590 1.00 0.00 C ATOM 626 O ILE A 45 6.670 -11.113 -2.888 1.00 0.00 O ATOM 627 CB ILE A 45 3.854 -10.509 -2.084 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.539 -10.873 -1.392 1.00 0.00 C ATOM 629 CG2 ILE A 45 3.686 -9.249 -2.921 1.00 0.00 C ATOM 630 CD1 ILE A 45 1.937 -9.734 -0.599 1.00 0.00 C ATOM 0 H ILE A 45 4.052 -12.860 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 45 3.607 -11.852 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 45 4.605 -10.317 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.821 -11.201 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.711 -11.718 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.343 -8.433 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.642 -8.981 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.952 -9.429 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.007 -10.064 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.637 -9.421 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.733 -8.895 -1.265 1.00 0.00 H new ATOM 642 N SER A 46 5.697 -11.204 -4.915 1.00 0.00 N ATOM 643 CA SER A 46 6.916 -10.857 -5.637 1.00 0.00 C ATOM 644 C SER A 46 7.311 -9.408 -5.371 1.00 0.00 C ATOM 645 O SER A 46 8.488 -9.098 -5.185 1.00 0.00 O ATOM 646 CB SER A 46 6.725 -11.078 -7.139 1.00 0.00 C ATOM 647 OG SER A 46 7.072 -12.401 -7.508 1.00 0.00 O ATOM 0 H SER A 46 4.883 -11.357 -5.510 1.00 0.00 H new ATOM 0 HA SER A 46 7.717 -11.505 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.687 -10.882 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.339 -10.369 -7.695 1.00 0.00 H new ATOM 0 HG SER A 46 6.940 -12.517 -8.472 1.00 0.00 H new ATOM 653 N SER A 47 6.319 -8.524 -5.354 1.00 0.00 N ATOM 654 CA SER A 47 6.562 -7.106 -5.115 1.00 0.00 C ATOM 655 C SER A 47 5.275 -6.395 -4.709 1.00 0.00 C ATOM 656 O SER A 47 4.175 -6.900 -4.937 1.00 0.00 O ATOM 657 CB SER A 47 7.148 -6.449 -6.366 1.00 0.00 C ATOM 658 OG SER A 47 6.304 -6.644 -7.488 1.00 0.00 O ATOM 0 H SER A 47 5.339 -8.765 -5.503 1.00 0.00 H new ATOM 0 HA SER A 47 7.278 -7.018 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.284 -5.382 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.134 -6.866 -6.572 1.00 0.00 H new ATOM 0 HG SER A 47 6.700 -6.213 -8.274 1.00 0.00 H new ATOM 664 N TYR A 48 5.420 -5.220 -4.107 1.00 0.00 N ATOM 665 CA TYR A 48 4.270 -4.440 -3.667 1.00 0.00 C ATOM 666 C TYR A 48 4.099 -3.189 -4.524 1.00 0.00 C ATOM 667 O TYR A 48 5.077 -2.605 -4.989 1.00 0.00 O ATOM 668 CB TYR A 48 4.427 -4.046 -2.197 1.00 0.00 C ATOM 669 CG TYR A 48 3.842 -5.054 -1.234 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.467 -5.194 -1.094 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.665 -5.867 -0.464 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.928 -6.113 -0.215 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.135 -6.790 0.417 1.00 0.00 C ATOM 674 CZ TYR A 48 2.766 -6.910 0.538 1.00 0.00 C ATOM 675 OH TYR A 48 2.234 -7.827 1.415 1.00 0.00 O ATOM 0 H TYR A 48 6.323 -4.787 -3.913 1.00 0.00 H new ATOM 0 HA TYR A 48 3.380 -5.059 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.486 -3.917 -1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.947 -3.081 -2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.808 -4.573 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.737 -5.776 -0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.857 -6.207 -0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.789 -7.414 1.008 1.00 0.00 H new ATOM 0 HH TYR A 48 1.256 -7.783 1.381 1.00 0.00 H new ATOM 685 N GLU A 49 2.849 -2.786 -4.728 1.00 0.00 N ATOM 686 CA GLU A 49 2.549 -1.605 -5.530 1.00 0.00 C ATOM 687 C GLU A 49 1.765 -0.580 -4.717 1.00 0.00 C ATOM 688 O GLU A 49 0.713 -0.890 -4.154 1.00 0.00 O ATOM 689 CB GLU A 49 1.756 -1.997 -6.779 1.00 0.00 C ATOM 690 CG GLU A 49 1.859 -0.985 -7.907 1.00 0.00 C ATOM 691 CD GLU A 49 1.632 -1.607 -9.271 1.00 0.00 C ATOM 692 OE1 GLU A 49 0.776 -2.511 -9.375 1.00 0.00 O ATOM 693 OE2 GLU A 49 2.309 -1.191 -10.234 1.00 0.00 O ATOM 0 H GLU A 49 2.028 -3.259 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 49 3.494 -1.155 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.111 -2.964 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.707 -2.122 -6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.128 -0.192 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.844 -0.519 -7.884 1.00 0.00 H new ATOM 700 N LEU A 50 2.283 0.642 -4.658 1.00 0.00 N ATOM 701 CA LEU A 50 1.632 1.714 -3.913 1.00 0.00 C ATOM 702 C LEU A 50 0.832 2.617 -4.846 1.00 0.00 C ATOM 703 O LEU A 50 1.238 2.868 -5.980 1.00 0.00 O ATOM 704 CB LEU A 50 2.673 2.539 -3.154 1.00 0.00 C ATOM 705 CG LEU A 50 2.138 3.417 -2.022 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.513 2.560 -0.932 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.249 4.285 -1.450 1.00 0.00 C ATOM 0 H LEU A 50 3.152 0.915 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 50 0.945 1.261 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.415 1.857 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.192 3.178 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 50 1.366 4.071 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.138 3.202 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.689 1.982 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.264 1.881 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.850 4.903 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.043 3.649 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.651 4.926 -2.235 1.00 0.00 H new ATOM 719 N GLN A 51 -0.305 3.104 -4.359 1.00 0.00 N ATOM 720 CA GLN A 51 -1.161 3.981 -5.149 1.00 0.00 C ATOM 721 C GLN A 51 -1.793 5.057 -4.274 1.00 0.00 C ATOM 722 O GLN A 51 -2.581 4.758 -3.376 1.00 0.00 O ATOM 723 CB GLN A 51 -2.252 3.168 -5.848 1.00 0.00 C ATOM 724 CG GLN A 51 -1.711 2.093 -6.776 1.00 0.00 C ATOM 725 CD GLN A 51 -2.731 1.641 -7.803 1.00 0.00 C ATOM 726 OE1 GLN A 51 -3.918 1.950 -7.693 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.272 0.905 -8.809 1.00 0.00 N ATOM 0 H GLN A 51 -0.655 2.906 -3.421 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.543 4.469 -5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.884 2.700 -5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.887 3.844 -6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.828 2.473 -7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.392 1.235 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.280 0.673 -8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.911 0.572 -9.530 1.00 0.00 H new ATOM 736 N TYR A 52 -1.443 6.311 -4.541 1.00 0.00 N ATOM 737 CA TYR A 52 -1.975 7.432 -3.776 1.00 0.00 C ATOM 738 C TYR A 52 -2.544 8.503 -4.702 1.00 0.00 C ATOM 739 O TYR A 52 -2.018 8.745 -5.789 1.00 0.00 O ATOM 740 CB TYR A 52 -0.883 8.036 -2.891 1.00 0.00 C ATOM 741 CG TYR A 52 0.311 8.546 -3.665 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.324 7.684 -4.068 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.426 9.891 -3.995 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.417 8.147 -4.775 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.515 10.362 -4.703 1.00 0.00 C ATOM 746 CZ TYR A 52 2.508 9.487 -5.090 1.00 0.00 C ATOM 747 OH TYR A 52 3.594 9.951 -5.796 1.00 0.00 O ATOM 0 H TYR A 52 -0.793 6.576 -5.281 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.781 7.058 -3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.308 8.857 -2.313 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.548 7.283 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.256 6.634 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.349 10.580 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.196 7.464 -5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.588 11.410 -4.952 1.00 0.00 H new ATOM 0 HH TYR A 52 3.288 10.539 -6.518 1.00 0.00 H new ATOM 757 N THR A 53 -3.623 9.143 -4.263 1.00 0.00 N ATOM 758 CA THR A 53 -4.265 10.188 -5.051 1.00 0.00 C ATOM 759 C THR A 53 -4.999 11.179 -4.155 1.00 0.00 C ATOM 760 O THR A 53 -5.546 10.804 -3.117 1.00 0.00 O ATOM 761 CB THR A 53 -5.261 9.594 -6.065 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.632 10.588 -7.026 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.505 9.074 -5.360 1.00 0.00 C ATOM 0 H THR A 53 -4.071 8.956 -3.366 1.00 0.00 H new ATOM 0 HA THR A 53 -3.474 10.708 -5.592 1.00 0.00 H new ATOM 0 HB THR A 53 -4.775 8.761 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.264 10.202 -7.668 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.194 8.659 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.223 8.297 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.991 9.892 -4.829 1.00 0.00 H new ATOM 771 N ILE A 54 -5.008 12.443 -4.563 1.00 0.00 N ATOM 772 CA ILE A 54 -5.678 13.488 -3.797 1.00 0.00 C ATOM 773 C ILE A 54 -7.191 13.307 -3.827 1.00 0.00 C ATOM 774 O ILE A 54 -7.778 13.066 -4.882 1.00 0.00 O ATOM 775 CB ILE A 54 -5.329 14.889 -4.332 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.847 15.192 -4.101 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.200 15.943 -3.665 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.295 16.250 -5.031 1.00 0.00 C ATOM 0 H ILE A 54 -4.559 12.769 -5.419 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.325 13.402 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.523 14.911 -5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.707 15.517 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.273 14.274 -4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.941 16.928 -4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.249 15.734 -3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.035 15.923 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.240 16.414 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.403 15.919 -6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.844 17.181 -4.890 1.00 0.00 H new ATOM 790 N PHE A 55 -7.819 13.426 -2.662 1.00 0.00 N ATOM 791 CA PHE A 55 -9.266 13.277 -2.554 1.00 0.00 C ATOM 792 C PHE A 55 -9.910 14.566 -2.054 1.00 0.00 C ATOM 793 O PHE A 55 -9.788 14.921 -0.881 1.00 0.00 O ATOM 794 CB PHE A 55 -9.612 12.122 -1.612 1.00 0.00 C ATOM 795 CG PHE A 55 -11.067 11.749 -1.630 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.973 12.404 -0.812 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.528 10.744 -2.465 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.312 12.062 -0.826 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.866 10.398 -2.483 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.759 11.058 -1.663 1.00 0.00 C ATOM 0 H PHE A 55 -7.349 13.625 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.658 13.057 -3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.018 11.250 -1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.328 12.395 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.629 13.190 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.834 10.225 -3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -14.009 12.579 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.212 9.612 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.805 10.790 -1.676 1.00 0.00 H new ATOM 1050 N MET A 72 -1.120 8.031 -8.758 1.00 0.00 N ATOM 1051 CA MET A 72 0.328 7.863 -8.784 1.00 0.00 C ATOM 1052 C MET A 72 0.725 6.482 -8.270 1.00 0.00 C ATOM 1053 O MET A 72 0.215 6.020 -7.249 1.00 0.00 O ATOM 1054 CB MET A 72 1.004 8.947 -7.941 1.00 0.00 C ATOM 1055 CG MET A 72 1.309 10.218 -8.717 1.00 0.00 C ATOM 1056 SD MET A 72 1.270 11.691 -7.679 1.00 0.00 S ATOM 1057 CE MET A 72 -0.483 11.812 -7.329 1.00 0.00 C ATOM 0 HA MET A 72 0.661 7.956 -9.818 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.361 9.192 -7.096 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.932 8.550 -7.530 1.00 0.00 H new ATOM 0 HG2 MET A 72 2.292 10.130 -9.179 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.586 10.328 -9.525 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.738 12.847 -7.100 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.051 11.483 -8.199 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.728 11.180 -6.475 1.00 0.00 H new ATOM 1067 N ILE A 73 1.636 5.829 -8.984 1.00 0.00 N ATOM 1068 CA ILE A 73 2.100 4.502 -8.599 1.00 0.00 C ATOM 1069 C ILE A 73 3.611 4.486 -8.397 1.00 0.00 C ATOM 1070 O ILE A 73 4.349 5.186 -9.090 1.00 0.00 O ATOM 1071 CB ILE A 73 1.723 3.446 -9.655 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.211 3.438 -9.884 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.207 2.070 -9.223 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.245 4.414 -10.946 1.00 0.00 C ATOM 0 H ILE A 73 2.067 6.197 -9.832 1.00 0.00 H new ATOM 0 HA ILE A 73 1.607 4.255 -7.658 1.00 0.00 H new ATOM 0 HB ILE A 73 2.211 3.703 -10.595 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.100 2.433 -10.169 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.292 3.673 -8.946 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.933 1.334 -9.979 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.291 2.085 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.744 1.803 -8.273 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.328 4.354 -11.055 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.035 5.426 -10.654 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.229 4.166 -11.896 1.00 0.00 H new ATOM 1086 N VAL A 74 4.066 3.681 -7.442 1.00 0.00 N ATOM 1087 CA VAL A 74 5.490 3.571 -7.149 1.00 0.00 C ATOM 1088 C VAL A 74 5.908 2.112 -6.998 1.00 0.00 C ATOM 1089 O VAL A 74 5.843 1.531 -5.915 1.00 0.00 O ATOM 1090 CB VAL A 74 5.860 4.335 -5.864 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.295 4.037 -5.459 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.650 5.830 -6.055 1.00 0.00 C ATOM 0 H VAL A 74 3.469 3.095 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 74 6.022 4.014 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 74 5.205 3.999 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.538 4.586 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.408 2.968 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.970 4.343 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.916 6.355 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.279 6.184 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.604 6.023 -6.293 1.00 0.00 H new ATOM 1102 N PRO A 75 6.350 1.505 -8.109 1.00 0.00 N ATOM 1103 CA PRO A 75 6.789 0.107 -8.127 1.00 0.00 C ATOM 1104 C PRO A 75 8.101 -0.098 -7.376 1.00 0.00 C ATOM 1105 O PRO A 75 8.648 0.839 -6.796 1.00 0.00 O ATOM 1106 CB PRO A 75 6.974 -0.188 -9.617 1.00 0.00 C ATOM 1107 CG PRO A 75 7.245 1.140 -10.236 1.00 0.00 C ATOM 1108 CD PRO A 75 6.455 2.138 -9.435 1.00 0.00 C ATOM 0 HA PRO A 75 6.073 -0.551 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.801 -0.879 -9.784 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.083 -0.649 -10.043 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.309 1.373 -10.210 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.942 1.152 -11.283 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.962 3.102 -9.381 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.473 2.318 -9.873 1.00 0.00 H new ATOM 1116 N ASN A 76 8.600 -1.329 -7.392 1.00 0.00 N ATOM 1117 CA ASN A 76 9.849 -1.657 -6.713 1.00 0.00 C ATOM 1118 C ASN A 76 9.738 -1.390 -5.215 1.00 0.00 C ATOM 1119 O ASN A 76 10.579 -0.705 -4.632 1.00 0.00 O ATOM 1120 CB ASN A 76 11.003 -0.844 -7.303 1.00 0.00 C ATOM 1121 CG ASN A 76 11.216 -1.129 -8.777 1.00 0.00 C ATOM 1122 OD1 ASN A 76 11.386 -2.280 -9.180 1.00 0.00 O ATOM 1123 ND2 ASN A 76 11.208 -0.079 -9.590 1.00 0.00 N ATOM 0 H ASN A 76 8.159 -2.116 -7.868 1.00 0.00 H new ATOM 0 HA ASN A 76 10.048 -2.718 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.802 0.219 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.919 -1.068 -6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.346 -0.209 -10.592 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.063 0.857 -9.212 1.00 0.00 H new ATOM 1130 N ILE A 77 8.697 -1.937 -4.597 1.00 0.00 N ATOM 1131 CA ILE A 77 8.478 -1.760 -3.167 1.00 0.00 C ATOM 1132 C ILE A 77 8.632 -3.080 -2.420 1.00 0.00 C ATOM 1133 O ILE A 77 7.771 -3.956 -2.499 1.00 0.00 O ATOM 1134 CB ILE A 77 7.080 -1.181 -2.879 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.868 0.113 -3.668 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.907 -0.933 -1.388 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.539 0.780 -3.389 1.00 0.00 C ATOM 0 H ILE A 77 7.992 -2.507 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 77 9.233 -1.056 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 77 6.330 -1.905 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.672 0.810 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.939 -0.105 -4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.914 -0.524 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.021 -1.873 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.662 -0.225 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.457 1.691 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.728 0.101 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.472 1.030 -2.330 1.00 0.00 H new ATOM 1149 N LYS A 78 9.736 -3.216 -1.692 1.00 0.00 N ATOM 1150 CA LYS A 78 10.004 -4.428 -0.926 1.00 0.00 C ATOM 1151 C LYS A 78 10.036 -4.130 0.569 1.00 0.00 C ATOM 1152 O LYS A 78 10.886 -4.645 1.295 1.00 0.00 O ATOM 1153 CB LYS A 78 11.333 -5.048 -1.363 1.00 0.00 C ATOM 1154 CG LYS A 78 11.402 -5.357 -2.848 1.00 0.00 C ATOM 1155 CD LYS A 78 10.811 -6.722 -3.161 1.00 0.00 C ATOM 1156 CE LYS A 78 11.325 -7.260 -4.488 1.00 0.00 C ATOM 1157 NZ LYS A 78 12.766 -7.628 -4.417 1.00 0.00 N ATOM 0 H LYS A 78 10.460 -2.501 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 78 9.199 -5.137 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.144 -4.367 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.497 -5.968 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.864 -4.590 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.440 -5.324 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.062 -7.420 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.724 -6.651 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.741 -8.134 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.180 -6.509 -5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.995 -8.284 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.348 -6.771 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.963 -8.086 -3.504 1.00 0.00 H new ATOM 1171 N GLN A 79 9.104 -3.299 1.023 1.00 0.00 N ATOM 1172 CA GLN A 79 9.026 -2.934 2.433 1.00 0.00 C ATOM 1173 C GLN A 79 7.584 -2.976 2.927 1.00 0.00 C ATOM 1174 O GLN A 79 6.647 -3.048 2.133 1.00 0.00 O ATOM 1175 CB GLN A 79 9.614 -1.540 2.654 1.00 0.00 C ATOM 1176 CG GLN A 79 8.957 -0.461 1.808 1.00 0.00 C ATOM 1177 CD GLN A 79 9.823 0.775 1.662 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.964 0.805 2.124 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.284 1.802 1.016 1.00 0.00 N ATOM 0 H GLN A 79 8.392 -2.865 0.435 1.00 0.00 H new ATOM 0 HA GLN A 79 9.607 -3.659 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.514 -1.275 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.681 -1.565 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.736 -0.864 0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.005 -0.181 2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.335 1.733 0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.819 2.660 0.886 1.00 0.00 H new ATOM 1188 N ASN A 80 7.414 -2.929 4.244 1.00 0.00 N ATOM 1189 CA ASN A 80 6.085 -2.962 4.845 1.00 0.00 C ATOM 1190 C ASN A 80 5.558 -1.549 5.078 1.00 0.00 C ATOM 1191 O ASN A 80 4.546 -1.356 5.752 1.00 0.00 O ATOM 1192 CB ASN A 80 6.119 -3.730 6.168 1.00 0.00 C ATOM 1193 CG ASN A 80 6.735 -5.108 6.021 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.946 -5.243 5.844 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.902 -6.139 6.092 1.00 0.00 N ATOM 0 H ASN A 80 8.179 -2.868 4.916 1.00 0.00 H new ATOM 0 HA ASN A 80 5.414 -3.472 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.686 -3.158 6.902 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.104 -3.828 6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.259 -7.090 5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.905 -5.980 6.240 1.00 0.00 H new ATOM 1202 N HIS A 81 6.251 -0.565 4.515 1.00 0.00 N ATOM 1203 CA HIS A 81 5.853 0.831 4.660 1.00 0.00 C ATOM 1204 C HIS A 81 6.655 1.725 3.719 1.00 0.00 C ATOM 1205 O HIS A 81 7.886 1.721 3.741 1.00 0.00 O ATOM 1206 CB HIS A 81 6.044 1.290 6.105 1.00 0.00 C ATOM 1207 CG HIS A 81 7.300 0.775 6.737 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.314 -0.253 7.656 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.591 1.150 6.575 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.558 -0.487 8.033 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.352 0.351 7.392 1.00 0.00 N ATOM 0 H HIS A 81 7.091 -0.708 3.954 1.00 0.00 H new ATOM 0 HA HIS A 81 4.798 0.912 4.398 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.054 2.380 6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.189 0.963 6.697 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.954 1.932 5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.872 -1.236 8.744 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.366 0.397 7.488 1.00 0.00 H new ATOM 1220 N TYR A 82 5.949 2.490 2.894 1.00 0.00 N ATOM 1221 CA TYR A 82 6.595 3.387 1.943 1.00 0.00 C ATOM 1222 C TYR A 82 6.271 4.844 2.262 1.00 0.00 C ATOM 1223 O TYR A 82 5.105 5.226 2.360 1.00 0.00 O ATOM 1224 CB TYR A 82 6.155 3.056 0.516 1.00 0.00 C ATOM 1225 CG TYR A 82 6.798 3.931 -0.535 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.427 5.263 -0.680 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.776 3.428 -1.384 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.011 6.067 -1.640 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.367 4.225 -2.345 1.00 0.00 C ATOM 1230 CZ TYR A 82 7.981 5.543 -2.469 1.00 0.00 C ATOM 1231 OH TYR A 82 8.566 6.340 -3.427 1.00 0.00 O ATOM 0 H TYR A 82 4.930 2.507 2.864 1.00 0.00 H new ATOM 0 HA TYR A 82 7.673 3.246 2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.393 2.014 0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.072 3.156 0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.669 5.676 -0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.079 2.396 -1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.710 7.099 -1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.127 3.818 -2.996 1.00 0.00 H new ATOM 0 HH TYR A 82 9.229 5.819 -3.926 1.00 0.00 H new ATOM 1241 N THR A 83 7.313 5.654 2.421 1.00 0.00 N ATOM 1242 CA THR A 83 7.142 7.068 2.729 1.00 0.00 C ATOM 1243 C THR A 83 7.020 7.897 1.456 1.00 0.00 C ATOM 1244 O THR A 83 7.996 8.082 0.728 1.00 0.00 O ATOM 1245 CB THR A 83 8.315 7.607 3.569 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.559 6.739 4.682 1.00 0.00 O ATOM 1247 CG2 THR A 83 8.022 9.013 4.070 1.00 0.00 C ATOM 0 H THR A 83 8.285 5.354 2.341 1.00 0.00 H new ATOM 0 HA THR A 83 6.222 7.156 3.306 1.00 0.00 H new ATOM 0 HB THR A 83 9.201 7.643 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.307 7.087 5.210 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.865 9.372 4.661 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.866 9.677 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.125 8.999 4.689 1.00 0.00 H new ATOM 1255 N VAL A 84 5.817 8.395 1.192 1.00 0.00 N ATOM 1256 CA VAL A 84 5.568 9.207 0.006 1.00 0.00 C ATOM 1257 C VAL A 84 5.952 10.663 0.247 1.00 0.00 C ATOM 1258 O VAL A 84 5.635 11.236 1.290 1.00 0.00 O ATOM 1259 CB VAL A 84 4.089 9.141 -0.419 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.829 10.076 -1.591 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.699 7.713 -0.769 1.00 0.00 C ATOM 0 H VAL A 84 4.999 8.251 1.783 1.00 0.00 H new ATOM 0 HA VAL A 84 6.186 8.798 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 84 3.473 9.467 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.779 10.016 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.068 11.099 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.453 9.783 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.651 7.685 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.320 7.357 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.846 7.072 0.100 1.00 0.00 H new ATOM 1271 N HIS A 85 6.637 11.257 -0.726 1.00 0.00 N ATOM 1272 CA HIS A 85 7.064 12.647 -0.621 1.00 0.00 C ATOM 1273 C HIS A 85 6.434 13.494 -1.723 1.00 0.00 C ATOM 1274 O HIS A 85 6.197 13.013 -2.830 1.00 0.00 O ATOM 1275 CB HIS A 85 8.588 12.742 -0.697 1.00 0.00 C ATOM 1276 CG HIS A 85 9.279 12.295 0.554 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.002 13.148 1.361 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.353 11.075 1.137 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.493 12.472 2.385 1.00 0.00 C ATOM 1280 NE2 HIS A 85 10.113 11.212 2.273 1.00 0.00 N ATOM 0 H HIS A 85 6.908 10.797 -1.595 1.00 0.00 H new ATOM 0 HA HIS A 85 6.731 13.031 0.343 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.940 12.137 -1.533 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.869 13.773 -0.909 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.899 10.164 0.776 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.101 12.880 3.178 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.346 10.462 2.924 1.00 0.00 H new ATOM 1289 N GLY A 86 6.164 14.758 -1.411 1.00 0.00 N ATOM 1290 CA GLY A 86 5.563 15.650 -2.385 1.00 0.00 C ATOM 1291 C GLY A 86 4.053 15.705 -2.267 1.00 0.00 C ATOM 1292 O GLY A 86 3.341 15.610 -3.267 1.00 0.00 O ATOM 0 H GLY A 86 6.351 15.180 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.971 16.652 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.834 15.323 -3.389 1.00 0.00 H new ATOM 1296 N LEU A 87 3.562 15.857 -1.042 1.00 0.00 N ATOM 1297 CA LEU A 87 2.126 15.922 -0.796 1.00 0.00 C ATOM 1298 C LEU A 87 1.715 17.318 -0.339 1.00 0.00 C ATOM 1299 O LEU A 87 2.553 18.115 0.082 1.00 0.00 O ATOM 1300 CB LEU A 87 1.721 14.889 0.257 1.00 0.00 C ATOM 1301 CG LEU A 87 2.015 13.428 -0.089 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.886 12.551 1.147 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.083 12.943 -1.190 1.00 0.00 C ATOM 0 H LEU A 87 4.137 15.938 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 87 1.612 15.699 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.231 15.131 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.652 14.989 0.443 1.00 0.00 H new ATOM 0 HG LEU A 87 3.040 13.359 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.099 11.515 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.595 12.884 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.872 12.624 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.306 11.902 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.049 13.026 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.225 13.553 -2.082 1.00 0.00 H new ATOM 1315 N GLN A 88 0.420 17.606 -0.424 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.102 18.905 -0.017 1.00 0.00 C ATOM 1317 C GLN A 88 -0.539 18.883 1.444 1.00 0.00 C ATOM 1318 O GLN A 88 -1.301 18.011 1.861 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.279 19.307 -0.908 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.056 19.008 -2.382 1.00 0.00 C ATOM 1321 CD GLN A 88 -0.063 19.955 -3.025 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -0.154 21.173 -2.865 1.00 0.00 O ATOM 1323 NE2 GLN A 88 0.895 19.400 -3.759 1.00 0.00 N ATOM 0 H GLN A 88 -0.287 16.957 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 88 0.696 19.640 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.174 18.784 -0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.468 20.374 -0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.699 17.984 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.008 19.072 -2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.933 18.386 -3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.592 19.988 -4.216 1.00 0.00 H new ATOM 1332 N SER A 89 -0.051 19.849 2.217 1.00 0.00 N ATOM 1333 CA SER A 89 -0.387 19.938 3.633 1.00 0.00 C ATOM 1334 C SER A 89 -1.895 20.073 3.825 1.00 0.00 C ATOM 1335 O SER A 89 -2.598 20.595 2.961 1.00 0.00 O ATOM 1336 CB SER A 89 0.329 21.127 4.275 1.00 0.00 C ATOM 1337 OG SER A 89 -0.107 22.351 3.709 1.00 0.00 O ATOM 0 H SER A 89 0.578 20.581 1.886 1.00 0.00 H new ATOM 0 HA SER A 89 -0.057 19.020 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.141 21.132 5.349 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.406 21.023 4.140 1.00 0.00 H new ATOM 0 HG SER A 89 0.364 23.096 4.137 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.385 19.597 4.966 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.805 19.673 5.253 1.00 0.00 C ATOM 1345 C GLY A 90 -4.659 19.300 4.057 1.00 0.00 C ATOM 1346 O GLY A 90 -5.397 20.131 3.527 1.00 0.00 O ATOM 0 H GLY A 90 -1.823 19.160 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.040 19.009 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.054 20.685 5.572 1.00 0.00 H new ATOM 1350 N THR A 91 -4.558 18.045 3.628 1.00 0.00 N ATOM 1351 CA THR A 91 -5.324 17.564 2.486 1.00 0.00 C ATOM 1352 C THR A 91 -5.560 16.061 2.576 1.00 0.00 C ATOM 1353 O THR A 91 -4.697 15.314 3.038 1.00 0.00 O ATOM 1354 CB THR A 91 -4.612 17.882 1.158 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.235 19.263 1.122 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.511 17.566 -0.028 1.00 0.00 C ATOM 0 H THR A 91 -3.953 17.344 4.055 1.00 0.00 H new ATOM 0 HA THR A 91 -6.283 18.081 2.508 1.00 0.00 H new ATOM 0 HB THR A 91 -3.719 17.260 1.093 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.321 19.361 1.461 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.986 17.799 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.772 16.508 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.420 18.165 0.035 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.733 15.623 2.130 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.082 14.208 2.161 1.00 0.00 C ATOM 1366 C ARG A 92 -6.299 13.432 1.106 1.00 0.00 C ATOM 1367 O ARG A 92 -6.105 13.908 -0.013 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.584 14.026 1.934 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.428 14.340 3.158 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.768 13.622 3.110 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.790 14.319 3.886 1.00 0.00 N ATOM 1372 CZ ARG A 92 -13.024 13.859 4.056 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -13.388 12.709 3.508 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.898 14.551 4.777 1.00 0.00 N ATOM 0 H ARG A 92 -7.457 16.228 1.743 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.820 13.816 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.899 14.668 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.774 12.998 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.889 14.046 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.592 15.416 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.096 13.535 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.650 12.608 3.493 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.542 15.208 4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.720 12.174 2.954 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.337 12.359 3.641 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.622 15.437 5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.846 14.197 4.907 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.852 12.235 1.470 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.088 11.394 0.557 1.00 0.00 C ATOM 1390 C TYR A 93 -5.458 9.924 0.730 1.00 0.00 C ATOM 1391 O TYR A 93 -5.354 9.372 1.826 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.588 11.584 0.789 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.990 12.720 -0.012 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.970 14.015 0.492 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.448 12.498 -1.271 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.426 15.055 -0.236 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -1.900 13.532 -2.005 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.892 14.809 -1.484 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.349 15.842 -2.213 1.00 0.00 O ATOM 0 H TYR A 93 -6.006 11.826 2.391 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.333 11.694 -0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.413 11.767 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.070 10.659 0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.387 14.211 1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.455 11.500 -1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.419 16.056 0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.480 13.341 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.016 15.499 -3.069 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.889 9.297 -0.359 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.273 7.891 -0.328 1.00 0.00 C ATOM 1411 C ILE A 94 -5.099 6.992 -0.702 1.00 0.00 C ATOM 1412 O ILE A 94 -4.343 7.293 -1.626 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.447 7.608 -1.284 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.665 8.448 -0.894 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.793 6.126 -1.273 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.910 8.110 -1.684 1.00 0.00 C ATOM 0 H ILE A 94 -5.981 9.740 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.585 7.671 0.693 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.148 7.884 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.869 8.307 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.429 9.503 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.624 5.941 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.926 5.548 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.076 5.826 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.733 8.744 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.725 8.278 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.171 7.064 -1.523 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.954 5.887 0.021 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.872 4.943 -0.235 1.00 0.00 C ATOM 1430 C PHE A 95 -4.419 3.535 -0.451 1.00 0.00 C ATOM 1431 O PHE A 95 -5.234 3.047 0.333 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.880 4.944 0.930 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.071 6.206 1.027 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.524 7.278 1.779 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.858 6.320 0.367 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.782 8.440 1.871 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.112 7.480 0.456 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.575 8.542 1.208 1.00 0.00 C ATOM 0 H PHE A 95 -5.572 5.623 0.789 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.356 5.257 -1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.426 4.799 1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.204 4.096 0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.468 7.205 2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.491 5.493 -0.223 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.146 9.268 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.833 7.556 -0.062 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.006 9.450 1.277 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.966 2.888 -1.519 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.409 1.536 -1.838 1.00 0.00 C ATOM 1450 C ILE A 96 -3.230 0.648 -2.222 1.00 0.00 C ATOM 1451 O ILE A 96 -2.681 0.766 -3.317 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.433 1.536 -2.988 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.784 2.060 -2.496 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.580 0.137 -3.566 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.699 2.514 -3.613 1.00 0.00 C ATOM 0 H ILE A 96 -3.292 3.278 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.883 1.139 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.073 2.197 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.282 1.277 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.615 2.893 -1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.307 0.153 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.617 -0.202 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.921 -0.545 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.638 2.873 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.221 3.319 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.898 1.677 -4.283 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.848 -0.244 -1.313 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.736 -1.155 -1.557 1.00 0.00 C ATOM 1469 C VAL A 97 -2.196 -2.390 -2.323 1.00 0.00 C ATOM 1470 O VAL A 97 -3.151 -3.060 -1.928 1.00 0.00 O ATOM 1471 CB VAL A 97 -1.074 -1.599 -0.239 1.00 0.00 C ATOM 1472 CG1 VAL A 97 -0.107 -2.747 -0.487 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.365 -0.427 0.422 1.00 0.00 C ATOM 0 H VAL A 97 -3.292 -0.355 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.006 -0.610 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.852 -1.951 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.351 -3.047 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.647 -3.592 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.669 -2.425 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.097 -0.759 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.404 -0.042 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.087 0.361 0.637 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.511 -2.688 -3.422 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.847 -3.844 -4.245 1.00 0.00 C ATOM 1485 C LYS A 98 -0.713 -4.863 -4.239 1.00 0.00 C ATOM 1486 O LYS A 98 0.354 -4.623 -4.804 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.145 -3.405 -5.680 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.547 -4.549 -6.595 1.00 0.00 C ATOM 1489 CD LYS A 98 -3.015 -4.042 -7.949 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.847 -3.579 -8.805 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.287 -4.687 -9.627 1.00 0.00 N ATOM 0 H LYS A 98 -0.719 -2.144 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.736 -4.313 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.944 -2.664 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.263 -2.914 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.701 -5.222 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.343 -5.128 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.556 -4.833 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.714 -3.217 -7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.174 -2.771 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.065 -3.172 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.348 -4.416 -9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.203 -5.544 -9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.919 -4.876 -10.431 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.951 -6.003 -3.598 1.00 0.00 N ATOM 1506 CA ALA A 99 0.050 -7.060 -3.522 1.00 0.00 C ATOM 1507 C ALA A 99 0.066 -7.893 -4.800 1.00 0.00 C ATOM 1508 O ALA A 99 -0.964 -8.420 -5.221 1.00 0.00 O ATOM 1509 CB ALA A 99 -0.211 -7.948 -2.314 1.00 0.00 C ATOM 0 H ALA A 99 -1.828 -6.218 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 99 1.029 -6.593 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.544 -8.733 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.165 -7.348 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.199 -8.400 -2.401 1.00 0.00 H new ATOM 1515 N ILE A 100 1.240 -8.008 -5.411 1.00 0.00 N ATOM 1516 CA ILE A 100 1.389 -8.777 -6.640 1.00 0.00 C ATOM 1517 C ILE A 100 2.263 -10.007 -6.416 1.00 0.00 C ATOM 1518 O ILE A 100 3.277 -9.942 -5.724 1.00 0.00 O ATOM 1519 CB ILE A 100 2.001 -7.924 -7.767 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.159 -6.669 -8.001 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.114 -8.740 -9.046 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.960 -5.490 -8.508 1.00 0.00 C ATOM 0 H ILE A 100 2.102 -7.578 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 100 0.389 -9.094 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 100 3.002 -7.615 -7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.371 -6.898 -8.719 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.669 -6.391 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.548 -8.124 -9.833 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.752 -9.606 -8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.123 -9.075 -9.352 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.299 -4.636 -8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.731 -5.234 -7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.428 -5.750 -9.457 1.00 0.00 H new ATOM 1534 N ASN A 101 1.861 -11.126 -7.009 1.00 0.00 N ATOM 1535 CA ASN A 101 2.608 -12.372 -6.876 1.00 0.00 C ATOM 1536 C ASN A 101 2.573 -13.170 -8.176 1.00 0.00 C ATOM 1537 O ASN A 101 2.019 -12.717 -9.177 1.00 0.00 O ATOM 1538 CB ASN A 101 2.038 -13.213 -5.732 1.00 0.00 C ATOM 1539 CG ASN A 101 0.581 -13.574 -5.951 1.00 0.00 C ATOM 1540 OD1 ASN A 101 -0.109 -12.952 -6.759 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.107 -14.582 -5.228 1.00 0.00 N ATOM 0 H ASN A 101 1.023 -11.196 -7.586 1.00 0.00 H new ATOM 0 HA ASN A 101 3.645 -12.122 -6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.624 -14.126 -5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.137 -12.663 -4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.866 -14.870 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.716 -15.069 -4.570 1.00 0.00 H new ATOM 1548 N GLN A 102 3.166 -14.358 -8.151 1.00 0.00 N ATOM 1549 CA GLN A 102 3.202 -15.219 -9.328 1.00 0.00 C ATOM 1550 C GLN A 102 1.792 -15.517 -9.827 1.00 0.00 C ATOM 1551 O GLN A 102 1.572 -15.691 -11.025 1.00 0.00 O ATOM 1552 CB GLN A 102 3.929 -16.526 -9.008 1.00 0.00 C ATOM 1553 CG GLN A 102 3.581 -17.663 -9.954 1.00 0.00 C ATOM 1554 CD GLN A 102 4.719 -18.650 -10.124 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.891 -18.291 -10.004 1.00 0.00 O ATOM 1556 NE2 GLN A 102 4.379 -19.903 -10.405 1.00 0.00 N ATOM 0 H GLN A 102 3.628 -14.747 -7.329 1.00 0.00 H new ATOM 0 HA GLN A 102 3.743 -14.694 -10.115 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.004 -16.352 -9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.688 -16.826 -7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.703 -18.188 -9.577 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.313 -17.252 -10.927 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.395 -20.156 -10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.102 -20.612 -10.530 1.00 0.00 H new ATOM 1565 N ALA A 103 0.841 -15.574 -8.901 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.548 -15.849 -9.247 1.00 0.00 C ATOM 1567 C ALA A 103 -1.196 -14.641 -9.916 1.00 0.00 C ATOM 1568 O ALA A 103 -1.491 -14.665 -11.110 1.00 0.00 O ATOM 1569 CB ALA A 103 -1.331 -16.252 -8.007 1.00 0.00 C ATOM 0 H ALA A 103 1.007 -15.433 -7.905 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.563 -16.676 -9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.367 -16.454 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.889 -17.149 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.300 -15.442 -7.278 1.00 0.00 H new ATOM 1575 N GLY A 104 -1.416 -13.586 -9.137 1.00 0.00 N ATOM 1576 CA GLY A 104 -2.029 -12.384 -9.671 1.00 0.00 C ATOM 1577 C GLY A 104 -1.844 -11.186 -8.763 1.00 0.00 C ATOM 1578 O GLY A 104 -0.788 -11.018 -8.152 1.00 0.00 O ATOM 0 H GLY A 104 -1.181 -13.543 -8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.600 -12.165 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.094 -12.560 -9.823 1.00 0.00 H new ATOM 1582 N SER A 105 -2.872 -10.348 -8.673 1.00 0.00 N ATOM 1583 CA SER A 105 -2.816 -9.155 -7.836 1.00 0.00 C ATOM 1584 C SER A 105 -4.089 -9.012 -7.008 1.00 0.00 C ATOM 1585 O SER A 105 -5.162 -9.456 -7.418 1.00 0.00 O ATOM 1586 CB SER A 105 -2.614 -7.909 -8.701 1.00 0.00 C ATOM 1587 OG SER A 105 -3.526 -7.887 -9.785 1.00 0.00 O ATOM 0 H SER A 105 -3.754 -10.473 -9.170 1.00 0.00 H new ATOM 0 HA SER A 105 -1.971 -9.258 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.746 -7.015 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.592 -7.888 -9.081 1.00 0.00 H new ATOM 0 HG SER A 105 -3.377 -7.080 -10.321 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.962 -8.390 -5.841 1.00 0.00 N ATOM 1594 CA ARG A 106 -5.101 -8.189 -4.954 1.00 0.00 C ATOM 1595 C ARG A 106 -5.136 -6.756 -4.431 1.00 0.00 C ATOM 1596 O ARG A 106 -4.332 -6.374 -3.582 1.00 0.00 O ATOM 1597 CB ARG A 106 -5.041 -9.169 -3.781 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.315 -9.210 -2.955 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.393 -10.042 -3.632 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.720 -9.766 -3.090 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.844 -10.233 -3.623 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.800 -10.997 -4.706 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -11.014 -9.937 -3.072 1.00 0.00 N ATOM 0 H ARG A 106 -3.081 -8.016 -5.487 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.011 -8.372 -5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.834 -10.168 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.207 -8.897 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.098 -9.625 -1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.681 -8.195 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.389 -9.838 -4.703 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.164 -11.101 -3.509 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.788 -9.182 -2.256 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.902 -11.227 -5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.664 -11.354 -5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.051 -9.350 -2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.876 -10.296 -3.482 1.00 0.00 H new ATOM 1617 N ASN A 107 -6.075 -5.967 -4.945 1.00 0.00 N ATOM 1618 CA ASN A 107 -6.214 -4.575 -4.530 1.00 0.00 C ATOM 1619 C ASN A 107 -6.980 -4.474 -3.214 1.00 0.00 C ATOM 1620 O ASN A 107 -8.104 -4.961 -3.099 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.932 -3.768 -5.614 1.00 0.00 C ATOM 1622 CG ASN A 107 -5.973 -3.200 -6.642 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -5.875 -3.704 -7.761 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -5.259 -2.146 -6.266 1.00 0.00 N ATOM 0 H ASN A 107 -6.750 -6.267 -5.648 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.215 -4.164 -4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.661 -4.405 -6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.487 -2.953 -5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -4.597 -1.721 -6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.373 -1.761 -5.328 1.00 0.00 H new ATOM 1631 N SER A 108 -6.362 -3.837 -2.225 1.00 0.00 N ATOM 1632 CA SER A 108 -6.983 -3.674 -0.915 1.00 0.00 C ATOM 1633 C SER A 108 -7.996 -2.534 -0.933 1.00 0.00 C ATOM 1634 O SER A 108 -8.182 -1.871 -1.953 1.00 0.00 O ATOM 1635 CB SER A 108 -5.917 -3.408 0.149 1.00 0.00 C ATOM 1636 OG SER A 108 -6.445 -3.577 1.453 1.00 0.00 O ATOM 0 H SER A 108 -5.432 -3.425 -2.305 1.00 0.00 H new ATOM 0 HA SER A 108 -7.506 -4.598 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.076 -4.086 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.532 -2.394 0.038 1.00 0.00 H new ATOM 0 HG SER A 108 -5.819 -4.102 1.994 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.648 -2.312 0.204 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.643 -1.252 0.319 1.00 0.00 C ATOM 1644 C GLU A 109 -8.974 0.117 0.393 1.00 0.00 C ATOM 1645 O GLU A 109 -7.851 0.262 0.878 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.516 -1.473 1.557 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.565 -2.557 1.376 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.788 -2.066 0.626 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -12.770 -2.094 -0.623 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.763 -1.653 1.288 1.00 0.00 O ATOM 0 H GLU A 109 -8.505 -2.851 1.058 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.272 -1.282 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.877 -1.735 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.013 -0.537 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.126 -3.396 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.869 -2.930 2.354 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.678 1.147 -0.099 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.172 2.523 -0.101 1.00 0.00 C ATOM 1659 C PRO A 110 -9.101 3.116 1.302 1.00 0.00 C ATOM 1660 O PRO A 110 -10.125 3.315 1.957 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.199 3.278 -0.949 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.453 2.483 -0.821 1.00 0.00 C ATOM 1663 CD PRO A 110 -11.022 1.048 -0.693 1.00 0.00 C ATOM 0 HA PRO A 110 -8.154 2.582 -0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.338 4.297 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.879 3.348 -1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -12.027 2.797 0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -12.094 2.622 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.701 0.480 -0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.998 0.548 -1.661 1.00 0.00 H new ATOM 1671 N THR A 111 -7.885 3.397 1.760 1.00 0.00 N ATOM 1672 CA THR A 111 -7.680 3.967 3.086 1.00 0.00 C ATOM 1673 C THR A 111 -7.439 5.470 3.007 1.00 0.00 C ATOM 1674 O THR A 111 -6.351 5.916 2.642 1.00 0.00 O ATOM 1675 CB THR A 111 -6.489 3.304 3.804 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.759 1.915 4.022 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.212 3.987 5.135 1.00 0.00 C ATOM 0 H THR A 111 -7.027 3.239 1.232 1.00 0.00 H new ATOM 0 HA THR A 111 -8.590 3.777 3.656 1.00 0.00 H new ATOM 0 HB THR A 111 -5.608 3.407 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.581 1.690 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.367 3.502 5.624 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.978 5.038 4.963 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.093 3.911 5.773 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.460 6.247 3.353 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.359 7.701 3.320 1.00 0.00 C ATOM 1687 C ARG A 112 -7.571 8.218 4.521 1.00 0.00 C ATOM 1688 O ARG A 112 -7.770 7.765 5.649 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.754 8.330 3.303 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.746 7.588 2.422 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.883 8.495 1.978 1.00 0.00 C ATOM 1692 NE ARG A 112 -13.118 7.751 1.748 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.869 7.254 2.724 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.512 7.421 3.990 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.980 6.589 2.435 1.00 0.00 N ATOM 0 H ARG A 112 -9.367 5.894 3.659 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.829 7.983 2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.140 8.364 4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.674 9.361 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.232 7.192 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.151 6.735 2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.055 9.258 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.597 9.014 1.063 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.421 7.605 0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.659 7.932 4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.091 7.038 4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.258 6.459 1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.556 6.208 3.185 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.677 9.167 4.270 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.858 9.746 5.329 1.00 0.00 C ATOM 1711 C LEU A 113 -5.865 11.269 5.253 1.00 0.00 C ATOM 1712 O LEU A 113 -6.332 11.850 4.273 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.422 9.226 5.233 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.258 7.706 5.227 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.829 7.325 4.873 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.649 7.122 6.577 1.00 0.00 C ATOM 0 H LEU A 113 -6.500 9.552 3.342 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.283 9.447 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.973 9.623 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.854 9.629 6.071 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.921 7.291 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.731 6.239 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.584 7.711 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.146 7.751 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.526 6.039 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.011 7.543 7.354 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.690 7.365 6.791 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.342 11.911 6.292 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.285 13.367 6.342 1.00 0.00 C ATOM 1730 C LYS A 114 -3.919 13.841 6.830 1.00 0.00 C ATOM 1731 O LYS A 114 -3.358 13.286 7.775 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.382 13.910 7.260 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.730 14.055 6.576 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.555 15.168 7.200 1.00 0.00 C ATOM 1735 CE LYS A 114 -7.960 16.536 6.905 1.00 0.00 C ATOM 1736 NZ LYS A 114 -6.997 16.961 7.958 1.00 0.00 N ATOM 0 H LYS A 114 -4.951 11.446 7.111 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.444 13.747 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.489 13.246 8.117 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.073 14.882 7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.581 14.262 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.276 13.114 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.575 15.124 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.611 15.020 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.455 16.512 5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.761 17.271 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.280 17.889 8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.994 16.262 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.043 17.029 7.549 1.00 0.00 H new ATOM 1750 N THR A 115 -3.389 14.872 6.179 1.00 0.00 N ATOM 1751 CA THR A 115 -2.089 15.421 6.547 1.00 0.00 C ATOM 1752 C THR A 115 -2.222 16.446 7.667 1.00 0.00 C ATOM 1753 O THR A 115 -3.324 16.724 8.139 1.00 0.00 O ATOM 1754 CB THR A 115 -1.398 16.083 5.340 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.313 16.958 4.670 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.887 15.033 4.366 1.00 0.00 C ATOM 0 H THR A 115 -3.840 15.344 5.395 1.00 0.00 H new ATOM 0 HA THR A 115 -1.479 14.586 6.893 1.00 0.00 H new ATOM 0 HB THR A 115 -0.549 16.659 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.929 17.240 3.814 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.403 15.524 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.168 14.387 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.723 14.433 4.006 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.093 17.005 8.088 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.084 18.001 9.154 1.00 0.00 C ATOM 1766 C ASN A 116 -1.146 19.413 8.581 1.00 0.00 C ATOM 1767 O ASN A 116 -0.548 19.700 7.544 1.00 0.00 O ATOM 1768 CB ASN A 116 0.171 17.844 10.016 1.00 0.00 C ATOM 1769 CG ASN A 116 0.258 16.476 10.666 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.760 15.840 10.939 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.479 16.018 10.917 1.00 0.00 N ATOM 0 H ASN A 116 -0.172 16.786 7.708 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.966 17.841 9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.055 18.007 9.399 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.176 18.612 10.790 1.00 0.00 H new ATOM 0 HD21 ASN A 116 1.601 15.104 11.353 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.295 16.580 10.673 1.00 0.00 H new