USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 725 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 21 TYR OH : rot -15:sc= 0 USER MOD Set 1.2: A 23 SER OG : rot -74:sc= 0.955 USER MOD Set 1.3: A 63 GLN :FLIP amide:sc= 0.0284 F(o=-9.1,f=-8.2) USER MOD Set 1.4: A 85 HIS :FLIP no HD1:sc= -9.18! C(o=-9.4!,f=-8.2!) USER MOD Set 2.1: A 41 SER OG : rot -142:sc= 1.27 USER MOD Set 2.2: A 45 ASN : amide:sc= -0.0578 K(o=1.2,f=0.56) USER MOD Set 3.1: A 18 SER OG : rot -82:sc= 0.382 USER MOD Set 3.2: A 20 CYS SG : rot -78:sc= 1.3 USER MOD Single : A 19 CYS SG : rot -163:sc= -0.893 USER MOD Single : A 30 THR OG1 : rot 109:sc= 1.31 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.183 F(o=-2.3!,f=-0.18) USER MOD Single : A 44 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 49 GLN : amide:sc= 0.601 K(o=0.6,f=-0.0021) USER MOD Single : A 51 THR OG1 : rot 130:sc= -1.23! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 40:sc= 0.141 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.236 F(o=-1.6,f=-0.24) USER MOD Single : A 76 MET CE :methyl 140:sc= -2.76! (180deg=-6.57!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.519 K(o=-0.52,f=-2) USER MOD Single : A 80 GLN :FLIP amide:sc= -1.82 F(o=-6.8!,f=-1.8) USER MOD Single : A 86 SER OG : rot -170:sc= -0.441 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 21:sc= 0.398 USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.15) USER MOD Single : A 105 HIS : no HE2:sc= 0.00148 X(o=0.0015,f=-0.078) USER MOD Single : A 106 MET CE :methyl -169:sc= 0 (180deg=-0.0125) USER MOD Single : A 107 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.538 18.555 -6.891 1.00 10.00 N ATOM 139 CA ASP A 15 7.204 18.108 -5.730 1.00 10.00 C ATOM 140 C ASP A 15 6.519 16.938 -5.139 1.00 10.00 C ATOM 141 O ASP A 15 6.307 16.847 -3.946 1.00 10.00 O ATOM 142 CB ASP A 15 7.336 19.232 -4.721 1.00 10.00 C ATOM 143 CG ASP A 15 6.018 19.922 -4.353 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.341 20.473 -5.245 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.673 19.985 -3.160 1.00 10.00 O ATOM 0 HA ASP A 15 8.207 17.792 -6.017 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.788 18.835 -3.812 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.023 19.979 -5.118 1.00 10.00 H new ATOM 150 N LEU A 16 6.215 16.046 -5.971 1.00 10.00 N ATOM 151 CA LEU A 16 5.673 14.832 -5.602 1.00 10.00 C ATOM 152 C LEU A 16 6.644 13.759 -5.908 1.00 10.00 C ATOM 153 O LEU A 16 7.612 13.943 -6.666 1.00 10.00 O ATOM 154 CB LEU A 16 4.308 14.549 -6.226 1.00 10.00 C ATOM 155 CG LEU A 16 3.169 15.533 -5.954 1.00 10.00 C ATOM 156 CD1 LEU A 16 3.032 15.954 -4.504 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.154 16.689 -6.902 1.00 10.00 C ATOM 0 H LEU A 16 6.345 16.151 -6.977 1.00 10.00 H new ATOM 0 HA LEU A 16 5.484 14.869 -4.529 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.443 14.486 -7.306 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.985 13.565 -5.887 1.00 10.00 H new ATOM 0 HG LEU A 16 2.264 14.960 -6.157 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.200 16.651 -4.405 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.845 15.076 -3.886 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.952 16.438 -4.177 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.323 17.350 -6.656 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.092 17.239 -6.820 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.036 16.322 -7.922 1.00 10.00 H new ATOM 169 N VAL A 17 6.406 12.676 -5.319 1.00 10.00 N ATOM 170 CA VAL A 17 7.186 11.551 -5.376 1.00 10.00 C ATOM 171 C VAL A 17 6.249 10.355 -5.224 1.00 10.00 C ATOM 172 O VAL A 17 5.206 10.465 -4.588 1.00 10.00 O ATOM 173 CB VAL A 17 8.292 11.568 -4.271 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.828 10.218 -4.049 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.448 12.494 -4.622 1.00 10.00 C ATOM 0 H VAL A 17 5.581 12.551 -4.732 1.00 10.00 H new ATOM 0 HA VAL A 17 7.719 11.496 -6.325 1.00 10.00 H new ATOM 0 HB VAL A 17 7.812 11.938 -3.365 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.596 10.254 -3.276 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.024 9.555 -3.731 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.263 9.842 -4.975 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.189 12.470 -3.823 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.908 12.165 -5.554 1.00 10.00 H new ATOM 0 HG23 VAL A 17 9.076 13.512 -4.741 1.00 10.00 H new ATOM 185 N SER A 18 6.600 9.289 -5.837 1.00 10.00 N ATOM 186 CA SER A 18 5.845 8.085 -5.826 1.00 10.00 C ATOM 187 C SER A 18 6.754 6.951 -5.402 1.00 10.00 C ATOM 188 O SER A 18 7.724 6.619 -6.098 1.00 10.00 O ATOM 189 CB SER A 18 5.264 7.819 -7.230 1.00 10.00 C ATOM 190 OG SER A 18 4.422 6.674 -7.281 1.00 10.00 O ATOM 0 H SER A 18 7.458 9.224 -6.385 1.00 10.00 H new ATOM 0 HA SER A 18 5.015 8.167 -5.125 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.698 8.693 -7.553 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.084 7.691 -7.937 1.00 10.00 H new ATOM 0 HG SER A 18 4.972 5.867 -7.361 1.00 10.00 H new ATOM 196 N CYS A 19 6.497 6.420 -4.256 1.00 10.00 N ATOM 197 CA CYS A 19 7.201 5.268 -3.796 1.00 10.00 C ATOM 198 C CYS A 19 6.335 4.075 -4.096 1.00 10.00 C ATOM 199 O CYS A 19 5.191 4.011 -3.643 1.00 10.00 O ATOM 200 CB CYS A 19 7.511 5.381 -2.309 1.00 10.00 C ATOM 201 SG CYS A 19 8.602 6.766 -1.890 1.00 10.00 S ATOM 0 H CYS A 19 5.792 6.772 -3.609 1.00 10.00 H new ATOM 0 HA CYS A 19 8.162 5.169 -4.300 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.576 5.489 -1.760 1.00 10.00 H new ATOM 0 HB3 CYS A 19 7.973 4.453 -1.972 1.00 10.00 H new ATOM 0 HG CYS A 19 9.090 6.589 -0.698 1.00 10.00 H new ATOM 207 N CYS A 20 6.851 3.164 -4.874 1.00 10.00 N ATOM 208 CA CYS A 20 6.073 2.052 -5.350 1.00 10.00 C ATOM 209 C CYS A 20 6.691 0.805 -4.832 1.00 10.00 C ATOM 210 O CYS A 20 7.724 0.404 -5.328 1.00 10.00 O ATOM 211 CB CYS A 20 6.115 2.056 -6.876 1.00 10.00 C ATOM 212 SG CYS A 20 5.764 3.677 -7.597 1.00 10.00 S ATOM 0 H CYS A 20 7.819 3.170 -5.195 1.00 10.00 H new ATOM 0 HA CYS A 20 5.038 2.119 -5.014 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.099 1.725 -7.206 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.392 1.333 -7.254 1.00 10.00 H new ATOM 0 HG CYS A 20 4.483 3.897 -7.568 1.00 10.00 H new ATOM 218 N TYR A 21 6.070 0.163 -3.871 1.00 10.00 N ATOM 219 CA TYR A 21 6.740 -0.909 -3.227 1.00 10.00 C ATOM 220 C TYR A 21 6.182 -2.264 -3.537 1.00 10.00 C ATOM 221 O TYR A 21 4.962 -2.443 -3.723 1.00 10.00 O ATOM 222 CB TYR A 21 6.859 -0.679 -1.718 1.00 10.00 C ATOM 223 CG TYR A 21 5.665 -0.837 -0.791 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.119 -2.081 -0.469 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.156 0.269 -0.162 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.087 -2.189 0.447 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.141 0.177 0.733 1.00 10.00 C ATOM 228 CZ TYR A 21 3.606 -1.055 1.042 1.00 10.00 C ATOM 229 OH TYR A 21 2.601 -1.158 1.966 1.00 10.00 O ATOM 0 H TYR A 21 5.129 0.366 -3.534 1.00 10.00 H new ATOM 0 HA TYR A 21 7.744 -0.911 -3.652 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.633 -1.356 -1.355 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.233 0.336 -1.581 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.507 -2.971 -0.941 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.574 1.240 -0.385 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.668 -3.154 0.688 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.752 1.068 1.203 1.00 10.00 H new ATOM 0 HH TYR A 21 2.190 -2.046 1.905 1.00 10.00 H new ATOM 239 N ARG A 22 7.073 -3.214 -3.568 1.00 10.00 N ATOM 240 CA ARG A 22 6.746 -4.576 -3.777 1.00 10.00 C ATOM 241 C ARG A 22 6.956 -5.265 -2.440 1.00 10.00 C ATOM 242 O ARG A 22 8.078 -5.398 -1.954 1.00 10.00 O ATOM 243 CB ARG A 22 7.674 -5.178 -4.851 1.00 10.00 C ATOM 244 CG ARG A 22 7.228 -6.520 -5.466 1.00 10.00 C ATOM 245 CD ARG A 22 7.129 -7.675 -4.465 1.00 10.00 C ATOM 246 NE ARG A 22 8.401 -7.940 -3.763 1.00 10.00 N ATOM 247 CZ ARG A 22 9.218 -8.974 -4.054 1.00 10.00 C ATOM 248 NH1 ARG A 22 8.982 -9.739 -5.129 1.00 10.00 N ATOM 249 NH2 ARG A 22 10.279 -9.217 -3.299 1.00 10.00 N ATOM 0 H ARG A 22 8.072 -3.047 -3.444 1.00 10.00 H new ATOM 0 HA ARG A 22 5.721 -4.700 -4.127 1.00 10.00 H new ATOM 0 HB2 ARG A 22 7.781 -4.452 -5.657 1.00 10.00 H new ATOM 0 HB3 ARG A 22 8.662 -5.315 -4.412 1.00 10.00 H new ATOM 0 HG2 ARG A 22 6.256 -6.383 -5.941 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.931 -6.796 -6.252 1.00 10.00 H new ATOM 0 HD2 ARG A 22 6.356 -7.447 -3.731 1.00 10.00 H new ATOM 0 HD3 ARG A 22 6.815 -8.577 -4.990 1.00 10.00 H new ATOM 0 HE ARG A 22 8.678 -7.305 -3.015 1.00 10.00 H new ATOM 0 HH11 ARG A 22 8.183 -9.541 -5.731 1.00 10.00 H new ATOM 0 HH12 ARG A 22 9.602 -10.520 -5.346 1.00 10.00 H new ATOM 0 HH21 ARG A 22 10.480 -8.622 -2.495 1.00 10.00 H new ATOM 0 HH22 ARG A 22 10.895 -9.999 -3.521 1.00 10.00 H new ATOM 263 N SER A 23 5.917 -5.697 -1.868 1.00 10.00 N ATOM 264 CA SER A 23 5.968 -6.336 -0.616 1.00 10.00 C ATOM 265 C SER A 23 5.319 -7.680 -0.743 1.00 10.00 C ATOM 266 O SER A 23 4.745 -7.998 -1.763 1.00 10.00 O ATOM 267 CB SER A 23 5.223 -5.473 0.387 1.00 10.00 C ATOM 268 OG SER A 23 5.211 -5.993 1.713 1.00 10.00 O ATOM 0 H SER A 23 4.979 -5.618 -2.261 1.00 10.00 H new ATOM 0 HA SER A 23 6.996 -6.470 -0.279 1.00 10.00 H new ATOM 0 HB2 SER A 23 5.675 -4.481 0.402 1.00 10.00 H new ATOM 0 HB3 SER A 23 4.194 -5.349 0.049 1.00 10.00 H new ATOM 0 HG SER A 23 4.592 -6.751 1.761 1.00 10.00 H new ATOM 274 N LEU A 24 5.471 -8.479 0.235 1.00 10.00 N ATOM 275 CA LEU A 24 4.724 -9.689 0.333 1.00 10.00 C ATOM 276 C LEU A 24 3.749 -9.442 1.457 1.00 10.00 C ATOM 277 O LEU A 24 3.860 -8.397 2.134 1.00 10.00 O ATOM 278 CB LEU A 24 5.638 -10.911 0.645 1.00 10.00 C ATOM 279 CG LEU A 24 6.663 -11.356 -0.433 1.00 10.00 C ATOM 280 CD1 LEU A 24 5.979 -11.643 -1.754 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.804 -10.353 -0.616 1.00 10.00 C ATOM 0 H LEU A 24 6.121 -8.321 1.005 1.00 10.00 H new ATOM 0 HA LEU A 24 4.227 -9.933 -0.606 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.191 -10.689 1.558 1.00 10.00 H new ATOM 0 HB3 LEU A 24 4.993 -11.762 0.862 1.00 10.00 H new ATOM 0 HG LEU A 24 7.112 -12.280 -0.068 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.722 -11.952 -2.489 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.248 -12.440 -1.620 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.474 -10.743 -2.105 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.489 -10.717 -1.382 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.396 -9.390 -0.922 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.341 -10.237 0.326 1.00 10.00 H new ATOM 293 N ALA A 25 2.810 -10.283 1.646 1.00 10.00 N ATOM 294 CA ALA A 25 1.912 -10.144 2.757 1.00 10.00 C ATOM 295 C ALA A 25 2.298 -11.161 3.783 1.00 10.00 C ATOM 296 O ALA A 25 2.573 -12.304 3.427 1.00 10.00 O ATOM 297 CB ALA A 25 0.488 -10.339 2.308 1.00 10.00 C ATOM 0 H ALA A 25 2.629 -11.089 1.047 1.00 10.00 H new ATOM 0 HA ALA A 25 1.980 -9.143 3.183 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.181 -10.231 3.162 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.239 -9.592 1.554 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.374 -11.336 1.882 1.00 10.00 H new ATOM 303 N ALA A 26 2.388 -10.766 5.041 1.00 10.00 N ATOM 304 CA ALA A 26 2.779 -11.709 6.027 1.00 10.00 C ATOM 305 C ALA A 26 1.640 -12.640 6.374 1.00 10.00 C ATOM 306 O ALA A 26 0.501 -12.222 6.457 1.00 10.00 O ATOM 307 CB ALA A 26 3.268 -11.008 7.264 1.00 10.00 C ATOM 0 H ALA A 26 2.198 -9.823 5.380 1.00 10.00 H new ATOM 0 HA ALA A 26 3.593 -12.304 5.613 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.563 -11.747 8.009 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.125 -10.383 7.013 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.470 -10.385 7.668 1.00 10.00 H new ATOM 313 N PRO A 27 1.942 -13.918 6.613 1.00 10.00 N ATOM 314 CA PRO A 27 0.954 -14.936 7.097 1.00 10.00 C ATOM 315 C PRO A 27 0.436 -14.569 8.489 1.00 10.00 C ATOM 316 O PRO A 27 -0.560 -15.097 8.990 1.00 10.00 O ATOM 317 CB PRO A 27 1.829 -16.182 7.198 1.00 10.00 C ATOM 318 CG PRO A 27 3.191 -15.607 7.382 1.00 10.00 C ATOM 319 CD PRO A 27 3.254 -14.535 6.399 1.00 10.00 C ATOM 0 HA PRO A 27 0.078 -15.036 6.457 1.00 10.00 H new ATOM 0 HB2 PRO A 27 1.539 -16.814 8.037 1.00 10.00 H new ATOM 0 HB3 PRO A 27 1.766 -16.796 6.300 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.332 -15.229 8.395 1.00 10.00 H new ATOM 0 HG3 PRO A 27 3.966 -16.353 7.210 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.076 -13.844 6.588 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.379 -14.908 5.382 1.00 10.00 H new ATOM 327 N ASP A 28 1.155 -13.657 9.062 1.00 10.00 N ATOM 328 CA ASP A 28 0.927 -13.061 10.366 1.00 10.00 C ATOM 329 C ASP A 28 -0.296 -12.171 10.316 1.00 10.00 C ATOM 330 O ASP A 28 -0.957 -11.949 11.318 1.00 10.00 O ATOM 331 CB ASP A 28 2.167 -12.229 10.730 1.00 10.00 C ATOM 332 CG ASP A 28 2.026 -11.403 11.994 1.00 10.00 C ATOM 333 OD1 ASP A 28 2.151 -11.955 13.098 1.00 10.00 O ATOM 334 OD2 ASP A 28 1.820 -10.165 11.890 1.00 10.00 O ATOM 0 H ASP A 28 1.982 -13.272 8.607 1.00 10.00 H new ATOM 0 HA ASP A 28 0.759 -13.836 11.114 1.00 10.00 H new ATOM 0 HB2 ASP A 28 3.018 -12.901 10.844 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.397 -11.561 9.899 1.00 10.00 H new ATOM 339 N LEU A 29 -0.603 -11.710 9.116 1.00 10.00 N ATOM 340 CA LEU A 29 -1.700 -10.807 8.873 1.00 10.00 C ATOM 341 C LEU A 29 -3.032 -11.368 9.179 1.00 10.00 C ATOM 342 O LEU A 29 -3.266 -12.586 9.122 1.00 10.00 O ATOM 343 CB LEU A 29 -1.702 -10.324 7.451 1.00 10.00 C ATOM 344 CG LEU A 29 -0.725 -9.237 7.149 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.629 -9.044 5.669 1.00 10.00 C ATOM 346 CD2 LEU A 29 -1.179 -7.946 7.804 1.00 10.00 C ATOM 0 H LEU A 29 -0.085 -11.960 8.274 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.529 -9.980 9.563 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.494 -11.170 6.796 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.703 -9.970 7.206 1.00 10.00 H new ATOM 0 HG LEU A 29 0.254 -9.514 7.540 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.085 -8.250 5.451 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.295 -9.971 5.202 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.607 -8.771 5.273 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -0.464 -7.154 7.582 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.160 -7.668 7.418 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.240 -8.087 8.883 1.00 10.00 H new ATOM 358 N THR A 30 -3.897 -10.470 9.479 1.00 10.00 N ATOM 359 CA THR A 30 -5.230 -10.744 9.757 1.00 10.00 C ATOM 360 C THR A 30 -6.095 -9.713 9.100 1.00 10.00 C ATOM 361 O THR A 30 -5.614 -8.647 8.778 1.00 10.00 O ATOM 362 CB THR A 30 -5.464 -10.726 11.220 1.00 10.00 C ATOM 363 OG1 THR A 30 -4.208 -10.617 11.951 1.00 10.00 O ATOM 364 CG2 THR A 30 -6.154 -11.983 11.599 1.00 10.00 C ATOM 0 H THR A 30 -3.667 -9.478 9.536 1.00 10.00 H new ATOM 0 HA THR A 30 -5.477 -11.734 9.373 1.00 10.00 H new ATOM 0 HB THR A 30 -6.076 -9.860 11.474 1.00 10.00 H new ATOM 0 HG1 THR A 30 -4.138 -9.724 12.349 1.00 10.00 H new ATOM 0 HG21 THR A 30 -6.335 -11.989 12.674 1.00 10.00 H new ATOM 0 HG22 THR A 30 -7.105 -12.050 11.070 1.00 10.00 H new ATOM 0 HG23 THR A 30 -5.530 -12.836 11.332 1.00 10.00 H new ATOM 372 N LEU A 31 -7.355 -10.027 8.890 1.00 10.00 N ATOM 373 CA LEU A 31 -8.307 -9.121 8.235 1.00 10.00 C ATOM 374 C LEU A 31 -8.364 -7.797 8.933 1.00 10.00 C ATOM 375 O LEU A 31 -8.276 -6.772 8.287 1.00 10.00 O ATOM 376 CB LEU A 31 -9.660 -9.713 8.294 1.00 10.00 C ATOM 377 CG LEU A 31 -10.798 -8.952 7.610 1.00 10.00 C ATOM 378 CD1 LEU A 31 -10.614 -8.907 6.109 1.00 10.00 C ATOM 379 CD2 LEU A 31 -12.137 -9.558 7.973 1.00 10.00 C ATOM 0 H LEU A 31 -7.762 -10.921 9.166 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.977 -8.977 7.206 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -9.610 -10.709 7.854 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.925 -9.841 9.344 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.775 -7.924 7.972 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -11.441 -8.359 5.657 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.675 -8.407 5.872 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -10.594 -9.923 5.714 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.934 -9.003 7.477 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -12.165 -10.599 7.651 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -12.278 -9.509 9.053 1.00 10.00 H new ATOM 391 N ARG A 32 -8.454 -7.810 10.261 1.00 10.00 N ATOM 392 CA ARG A 32 -8.571 -6.559 10.984 1.00 10.00 C ATOM 393 C ARG A 32 -7.321 -5.730 10.779 1.00 10.00 C ATOM 394 O ARG A 32 -7.365 -4.532 10.819 1.00 10.00 O ATOM 395 CB ARG A 32 -8.905 -6.738 12.480 1.00 10.00 C ATOM 396 CG ARG A 32 -9.113 -5.411 13.214 1.00 10.00 C ATOM 397 CD ARG A 32 -10.269 -4.610 12.616 1.00 10.00 C ATOM 398 NE ARG A 32 -10.261 -3.213 13.071 1.00 10.00 N ATOM 399 CZ ARG A 32 -10.587 -2.165 12.291 1.00 10.00 C ATOM 400 NH1 ARG A 32 -11.180 -2.362 11.129 1.00 10.00 N ATOM 401 NH2 ARG A 32 -10.366 -0.919 12.705 1.00 10.00 N ATOM 0 H ARG A 32 -8.448 -8.650 10.839 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.426 -6.025 10.569 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.807 -7.343 12.575 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.098 -7.290 12.962 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.312 -5.605 14.268 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.198 -4.821 13.166 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.205 -4.638 11.528 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.215 -5.076 12.892 1.00 10.00 H new ATOM 0 HE ARG A 32 -9.992 -3.026 14.037 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -11.393 -3.310 10.819 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -11.426 -1.566 10.540 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -9.947 -0.752 13.620 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -10.616 -0.131 12.107 1.00 10.00 H new ATOM 415 N ASP A 33 -6.229 -6.399 10.486 1.00 10.00 N ATOM 416 CA ASP A 33 -5.001 -5.737 10.140 1.00 10.00 C ATOM 417 C ASP A 33 -5.125 -5.027 8.815 1.00 10.00 C ATOM 418 O ASP A 33 -4.750 -3.879 8.729 1.00 10.00 O ATOM 419 CB ASP A 33 -3.809 -6.686 10.135 1.00 10.00 C ATOM 420 CG ASP A 33 -3.347 -7.011 11.505 1.00 10.00 C ATOM 421 OD1 ASP A 33 -2.636 -6.179 12.114 1.00 10.00 O ATOM 422 OD2 ASP A 33 -3.711 -8.070 12.018 1.00 10.00 O ATOM 0 H ASP A 33 -6.172 -7.417 10.482 1.00 10.00 H new ATOM 0 HA ASP A 33 -4.814 -4.995 10.916 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -4.081 -7.606 9.617 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -2.990 -6.235 9.575 1.00 10.00 H new ATOM 427 N LEU A 34 -5.721 -5.677 7.788 1.00 10.00 N ATOM 428 CA LEU A 34 -5.857 -4.989 6.459 1.00 10.00 C ATOM 429 C LEU A 34 -6.786 -3.829 6.586 1.00 10.00 C ATOM 430 O LEU A 34 -6.564 -2.755 6.027 1.00 10.00 O ATOM 431 CB LEU A 34 -6.386 -5.900 5.319 1.00 10.00 C ATOM 432 CG LEU A 34 -5.472 -7.002 4.783 1.00 10.00 C ATOM 433 CD1 LEU A 34 -4.159 -6.432 4.267 1.00 10.00 C ATOM 434 CD2 LEU A 34 -5.234 -8.024 5.831 1.00 10.00 C ATOM 0 H LEU A 34 -6.100 -6.623 7.833 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.848 -4.680 6.187 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -7.304 -6.372 5.670 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.658 -5.258 4.481 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.972 -7.479 3.940 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -3.533 -7.242 3.893 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -4.360 -5.727 3.460 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.642 -5.918 5.077 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.582 -8.804 5.437 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.761 -7.556 6.694 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -6.185 -8.464 6.133 1.00 10.00 H new ATOM 446 N LEU A 35 -7.819 -4.059 7.337 1.00 10.00 N ATOM 447 CA LEU A 35 -8.859 -3.078 7.564 1.00 10.00 C ATOM 448 C LEU A 35 -8.347 -1.919 8.402 1.00 10.00 C ATOM 449 O LEU A 35 -8.668 -0.767 8.156 1.00 10.00 O ATOM 450 CB LEU A 35 -10.102 -3.751 8.175 1.00 10.00 C ATOM 451 CG LEU A 35 -10.998 -4.589 7.211 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.792 -3.668 6.300 1.00 10.00 C ATOM 453 CD2 LEU A 35 -10.159 -5.518 6.352 1.00 10.00 C ATOM 0 H LEU A 35 -7.974 -4.944 7.821 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.159 -2.652 6.606 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.771 -4.403 8.983 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.721 -2.975 8.625 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.675 -5.184 7.824 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.413 -4.264 5.632 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.427 -3.019 6.903 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.106 -3.059 5.711 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.810 -6.089 5.690 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.461 -4.931 5.756 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.603 -6.202 6.992 1.00 10.00 H new ATOM 465 N ASP A 36 -7.510 -2.228 9.344 1.00 10.00 N ATOM 466 CA ASP A 36 -6.883 -1.194 10.186 1.00 10.00 C ATOM 467 C ASP A 36 -5.884 -0.392 9.342 1.00 10.00 C ATOM 468 O ASP A 36 -5.770 0.832 9.480 1.00 10.00 O ATOM 469 CB ASP A 36 -6.203 -1.821 11.409 1.00 10.00 C ATOM 470 CG ASP A 36 -5.677 -0.813 12.398 1.00 10.00 C ATOM 471 OD1 ASP A 36 -6.474 -0.019 12.948 1.00 10.00 O ATOM 472 OD2 ASP A 36 -4.482 -0.847 12.717 1.00 10.00 O ATOM 0 H ASP A 36 -7.230 -3.183 9.568 1.00 10.00 H new ATOM 0 HA ASP A 36 -7.653 -0.518 10.559 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -6.915 -2.474 11.914 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.379 -2.449 11.072 1.00 10.00 H new ATOM 477 N ILE A 37 -5.190 -1.102 8.443 1.00 10.00 N ATOM 478 CA ILE A 37 -4.305 -0.499 7.452 1.00 10.00 C ATOM 479 C ILE A 37 -5.081 0.514 6.604 1.00 10.00 C ATOM 480 O ILE A 37 -4.719 1.676 6.557 1.00 10.00 O ATOM 481 CB ILE A 37 -3.659 -1.597 6.526 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.516 -2.339 7.234 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.154 -1.008 5.206 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.267 -3.738 6.692 1.00 10.00 C ATOM 0 H ILE A 37 -5.231 -2.120 8.387 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.502 0.014 7.980 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.451 -2.311 6.303 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.601 -1.754 7.139 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -2.742 -2.406 8.298 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.716 -1.800 4.598 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.987 -0.555 4.667 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.399 -0.249 5.411 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.446 -4.200 7.240 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.168 -4.340 6.812 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -2.009 -3.678 5.635 1.00 10.00 H new ATOM 496 N VAL A 38 -6.163 0.064 5.962 1.00 10.00 N ATOM 497 CA VAL A 38 -6.970 0.933 5.096 1.00 10.00 C ATOM 498 C VAL A 38 -7.544 2.151 5.855 1.00 10.00 C ATOM 499 O VAL A 38 -7.439 3.294 5.370 1.00 10.00 O ATOM 500 CB VAL A 38 -8.066 0.141 4.259 1.00 10.00 C ATOM 501 CG1 VAL A 38 -8.944 -0.708 5.105 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.905 1.046 3.378 1.00 10.00 C ATOM 0 H VAL A 38 -6.501 -0.896 6.025 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.284 1.338 4.352 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.492 -0.520 3.609 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.670 -1.222 4.475 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.338 -1.443 5.635 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.469 -0.082 5.827 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.635 0.448 2.832 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.425 1.776 3.998 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.259 1.565 2.670 1.00 10.00 H new ATOM 512 N GLU A 39 -8.066 1.915 7.059 1.00 10.00 N ATOM 513 CA GLU A 39 -8.604 2.984 7.904 1.00 10.00 C ATOM 514 C GLU A 39 -7.529 4.021 8.283 1.00 10.00 C ATOM 515 O GLU A 39 -7.765 5.229 8.187 1.00 10.00 O ATOM 516 CB GLU A 39 -9.274 2.395 9.140 1.00 10.00 C ATOM 517 CG GLU A 39 -10.585 1.690 8.829 1.00 10.00 C ATOM 518 CD GLU A 39 -11.132 0.878 9.979 1.00 10.00 C ATOM 519 OE1 GLU A 39 -11.026 1.299 11.157 1.00 10.00 O ATOM 520 OE2 GLU A 39 -11.660 -0.214 9.730 1.00 10.00 O ATOM 0 H GLU A 39 -8.128 0.985 7.474 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.358 3.518 7.325 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -8.592 1.689 9.614 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -9.459 3.192 9.860 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -11.326 2.434 8.538 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.438 1.034 7.971 1.00 10.00 H new ATOM 527 N THR A 40 -6.369 3.556 8.708 1.00 10.00 N ATOM 528 CA THR A 40 -5.255 4.438 9.025 1.00 10.00 C ATOM 529 C THR A 40 -4.721 5.159 7.764 1.00 10.00 C ATOM 530 O THR A 40 -4.557 6.395 7.755 1.00 10.00 O ATOM 531 CB THR A 40 -4.114 3.638 9.722 1.00 10.00 C ATOM 532 OG1 THR A 40 -4.491 3.309 11.076 1.00 10.00 O ATOM 533 CG2 THR A 40 -2.794 4.391 9.718 1.00 10.00 C ATOM 0 H THR A 40 -6.170 2.565 8.843 1.00 10.00 H new ATOM 0 HA THR A 40 -5.620 5.203 9.710 1.00 10.00 H new ATOM 0 HB THR A 40 -3.968 2.722 9.150 1.00 10.00 H new ATOM 0 HG1 THR A 40 -3.768 2.805 11.504 1.00 10.00 H new ATOM 0 HG21 THR A 40 -2.032 3.791 10.215 1.00 10.00 H new ATOM 0 HG22 THR A 40 -2.489 4.586 8.690 1.00 10.00 H new ATOM 0 HG23 THR A 40 -2.913 5.337 10.246 1.00 10.00 H new ATOM 541 N SER A 41 -4.502 4.385 6.715 1.00 10.00 N ATOM 542 CA SER A 41 -3.905 4.840 5.480 1.00 10.00 C ATOM 543 C SER A 41 -4.640 6.048 4.890 1.00 10.00 C ATOM 544 O SER A 41 -4.063 7.136 4.801 1.00 10.00 O ATOM 545 CB SER A 41 -3.853 3.678 4.479 1.00 10.00 C ATOM 546 OG SER A 41 -3.197 4.034 3.296 1.00 10.00 O ATOM 0 H SER A 41 -4.743 3.394 6.703 1.00 10.00 H new ATOM 0 HA SER A 41 -2.890 5.175 5.696 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.343 2.829 4.935 1.00 10.00 H new ATOM 0 HB3 SER A 41 -4.867 3.353 4.247 1.00 10.00 H new ATOM 0 HG SER A 41 -3.646 3.613 2.533 1.00 10.00 H new ATOM 552 N GLN A 42 -5.922 5.877 4.559 1.00 10.00 N ATOM 553 CA GLN A 42 -6.729 6.940 3.926 1.00 10.00 C ATOM 554 C GLN A 42 -6.717 8.193 4.723 1.00 10.00 C ATOM 555 O GLN A 42 -6.478 9.260 4.199 1.00 10.00 O ATOM 556 CB GLN A 42 -8.157 6.505 3.812 1.00 10.00 C ATOM 557 CG GLN A 42 -8.357 5.384 2.863 1.00 10.00 C ATOM 558 CD GLN A 42 -9.639 4.655 3.085 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.057 4.576 4.312 1.00 10.00 O flip ATOM 560 NE2 GLN A 42 -10.245 4.130 2.155 1.00 10.00 N flip ATOM 0 H GLN A 42 -6.433 5.008 4.718 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.289 7.123 2.946 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.518 6.207 4.796 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.763 7.353 3.494 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.337 5.770 1.844 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.527 4.684 2.956 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.888 4.212 1.203 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.105 3.612 2.335 1.00 10.00 H new ATOM 569 N ALA A 43 -6.923 8.045 5.993 1.00 10.00 N ATOM 570 CA ALA A 43 -7.064 9.151 6.877 1.00 10.00 C ATOM 571 C ALA A 43 -5.799 9.994 6.969 1.00 10.00 C ATOM 572 O ALA A 43 -5.878 11.222 7.091 1.00 10.00 O ATOM 573 CB ALA A 43 -7.542 8.657 8.214 1.00 10.00 C ATOM 0 H ALA A 43 -6.999 7.136 6.450 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.816 9.830 6.473 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.652 9.501 8.896 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.504 8.159 8.095 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.817 7.953 8.622 1.00 10.00 H new ATOM 579 N HIS A 44 -4.650 9.364 6.889 1.00 10.00 N ATOM 580 CA HIS A 44 -3.396 10.103 6.931 1.00 10.00 C ATOM 581 C HIS A 44 -3.054 10.602 5.548 1.00 10.00 C ATOM 582 O HIS A 44 -2.617 11.733 5.394 1.00 10.00 O ATOM 583 CB HIS A 44 -2.252 9.227 7.457 1.00 10.00 C ATOM 584 CG HIS A 44 -0.931 9.943 7.687 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.295 9.356 7.440 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.657 11.179 8.172 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.255 10.199 7.760 1.00 10.00 C ATOM 588 NE2 HIS A 44 0.710 11.309 8.204 1.00 10.00 N ATOM 0 H HIS A 44 -4.550 8.353 6.795 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.521 10.946 7.610 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.568 8.773 8.397 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.086 8.414 6.750 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -1.379 11.923 8.476 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.315 10.009 7.672 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.220 12.134 8.521 1.00 10.00 H new ATOM 597 N ASN A 45 -3.279 9.774 4.547 1.00 10.00 N ATOM 598 CA ASN A 45 -2.931 10.120 3.174 1.00 10.00 C ATOM 599 C ASN A 45 -3.764 11.244 2.674 1.00 10.00 C ATOM 600 O ASN A 45 -3.255 12.134 2.045 1.00 10.00 O ATOM 601 CB ASN A 45 -3.050 8.947 2.208 1.00 10.00 C ATOM 602 CG ASN A 45 -2.116 7.816 2.511 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.040 7.994 3.104 1.00 10.00 O ATOM 604 ND2 ASN A 45 -2.502 6.651 2.099 1.00 10.00 N ATOM 0 H ASN A 45 -3.703 8.852 4.655 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.883 10.419 3.208 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.074 8.575 2.228 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -2.859 9.302 1.195 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.914 5.833 2.258 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -3.395 6.551 1.616 1.00 10.00 H new ATOM 611 N ALA A 46 -5.046 11.220 2.982 1.00 10.00 N ATOM 612 CA ALA A 46 -5.950 12.271 2.561 1.00 10.00 C ATOM 613 C ALA A 46 -5.508 13.590 3.127 1.00 10.00 C ATOM 614 O ALA A 46 -5.503 14.604 2.432 1.00 10.00 O ATOM 615 CB ALA A 46 -7.358 11.978 3.002 1.00 10.00 C ATOM 0 H ALA A 46 -5.487 10.478 3.526 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.930 12.319 1.472 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.017 12.782 2.674 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.688 11.036 2.563 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.391 11.903 4.089 1.00 10.00 H new ATOM 621 N ARG A 47 -5.097 13.572 4.385 1.00 10.00 N ATOM 622 CA ARG A 47 -4.637 14.778 5.009 1.00 10.00 C ATOM 623 C ARG A 47 -3.294 15.183 4.449 1.00 10.00 C ATOM 624 O ARG A 47 -3.068 16.350 4.160 1.00 10.00 O ATOM 625 CB ARG A 47 -4.503 14.604 6.493 1.00 10.00 C ATOM 626 CG ARG A 47 -4.183 15.898 7.270 1.00 10.00 C ATOM 627 CD ARG A 47 -5.325 16.930 7.252 1.00 10.00 C ATOM 628 NE ARG A 47 -5.612 17.521 5.919 1.00 10.00 N ATOM 629 CZ ARG A 47 -6.769 18.145 5.589 1.00 10.00 C ATOM 630 NH1 ARG A 47 -7.742 18.279 6.483 1.00 10.00 N ATOM 631 NH2 ARG A 47 -6.931 18.655 4.374 1.00 10.00 N ATOM 0 H ARG A 47 -5.076 12.742 4.978 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.376 15.552 4.803 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.431 14.184 6.881 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.717 13.875 6.690 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -3.953 15.642 8.304 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -3.287 16.353 6.847 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -6.232 16.454 7.625 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -5.079 17.735 7.945 1.00 10.00 H new ATOM 0 HE ARG A 47 -4.889 17.452 5.203 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -7.622 17.911 7.427 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -8.609 18.750 6.226 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -6.183 18.578 3.685 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -7.803 19.124 4.130 1.00 10.00 H new ATOM 645 N ALA A 48 -2.399 14.222 4.293 1.00 10.00 N ATOM 646 CA ALA A 48 -1.077 14.532 3.820 1.00 10.00 C ATOM 647 C ALA A 48 -1.021 14.767 2.303 1.00 10.00 C ATOM 648 O ALA A 48 0.018 15.140 1.783 1.00 10.00 O ATOM 649 CB ALA A 48 -0.072 13.495 4.261 1.00 10.00 C ATOM 0 H ALA A 48 -2.568 13.235 4.486 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.802 15.480 4.283 1.00 10.00 H new ATOM 0 HB1 ALA A 48 0.916 13.762 3.885 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.047 13.453 5.350 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.358 12.520 3.867 1.00 10.00 H new ATOM 655 N GLN A 49 -2.163 14.556 1.620 1.00 10.00 N ATOM 656 CA GLN A 49 -2.343 14.786 0.155 1.00 10.00 C ATOM 657 C GLN A 49 -1.661 13.718 -0.670 1.00 10.00 C ATOM 658 O GLN A 49 -1.229 13.936 -1.808 1.00 10.00 O ATOM 659 CB GLN A 49 -1.910 16.183 -0.235 1.00 10.00 C ATOM 660 CG GLN A 49 -2.700 17.203 0.465 1.00 10.00 C ATOM 661 CD GLN A 49 -1.831 18.201 1.176 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.437 19.216 0.614 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.559 17.938 2.434 1.00 10.00 N ATOM 0 H GLN A 49 -3.011 14.213 2.072 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.408 14.708 -0.065 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.853 16.316 -0.003 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.019 16.312 -1.312 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.337 17.723 -0.251 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.360 16.719 1.185 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.907 17.081 2.863 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.999 18.591 2.982 1.00 10.00 H new ATOM 672 N LEU A 50 -1.615 12.575 -0.094 1.00 10.00 N ATOM 673 CA LEU A 50 -1.082 11.391 -0.691 1.00 10.00 C ATOM 674 C LEU A 50 -2.160 10.595 -1.384 1.00 10.00 C ATOM 675 O LEU A 50 -3.231 10.338 -0.826 1.00 10.00 O ATOM 676 CB LEU A 50 -0.373 10.552 0.352 1.00 10.00 C ATOM 677 CG LEU A 50 1.079 10.926 0.632 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.259 12.375 0.993 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.652 10.063 1.696 1.00 10.00 C ATOM 0 H LEU A 50 -1.963 12.424 0.853 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.357 11.687 -1.449 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -0.932 10.619 1.285 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.405 9.510 0.035 1.00 10.00 H new ATOM 0 HG LEU A 50 1.618 10.761 -0.301 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.314 12.575 1.180 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.911 13.001 0.171 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.683 12.601 1.890 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.688 10.349 1.878 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.076 10.185 2.613 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.614 9.021 1.379 1.00 10.00 H new ATOM 691 N THR A 51 -1.890 10.237 -2.597 1.00 10.00 N ATOM 692 CA THR A 51 -2.807 9.523 -3.419 1.00 10.00 C ATOM 693 C THR A 51 -2.239 8.147 -3.730 1.00 10.00 C ATOM 694 O THR A 51 -1.036 7.981 -3.783 1.00 10.00 O ATOM 695 CB THR A 51 -3.121 10.373 -4.646 1.00 10.00 C ATOM 696 OG1 THR A 51 -1.918 10.729 -5.312 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.758 11.640 -4.150 1.00 10.00 C ATOM 0 H THR A 51 -1.001 10.439 -3.054 1.00 10.00 H new ATOM 0 HA THR A 51 -3.756 9.343 -2.914 1.00 10.00 H new ATOM 0 HB THR A 51 -3.767 9.822 -5.330 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.001 10.528 -6.268 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.001 12.281 -4.997 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.670 11.399 -3.604 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.066 12.160 -3.488 1.00 10.00 H new ATOM 705 N GLY A 52 -3.084 7.162 -3.854 1.00 10.00 N ATOM 706 CA GLY A 52 -2.580 5.826 -3.853 1.00 10.00 C ATOM 707 C GLY A 52 -3.561 4.800 -4.279 1.00 10.00 C ATOM 708 O GLY A 52 -4.710 5.099 -4.604 1.00 10.00 O ATOM 0 H GLY A 52 -4.095 7.257 -3.954 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.713 5.777 -4.512 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.232 5.583 -2.849 1.00 10.00 H new ATOM 712 N ALA A 53 -3.087 3.609 -4.311 1.00 10.00 N ATOM 713 CA ALA A 53 -3.860 2.414 -4.542 1.00 10.00 C ATOM 714 C ALA A 53 -2.969 1.250 -4.196 1.00 10.00 C ATOM 715 O ALA A 53 -1.811 1.468 -3.778 1.00 10.00 O ATOM 716 CB ALA A 53 -4.387 2.318 -5.974 1.00 10.00 C ATOM 0 H ALA A 53 -2.095 3.416 -4.170 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.754 2.422 -3.918 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.961 1.399 -6.090 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -5.027 3.175 -6.184 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.549 2.312 -6.671 1.00 10.00 H new ATOM 722 N LEU A 54 -3.464 0.054 -4.311 1.00 10.00 N ATOM 723 CA LEU A 54 -2.652 -1.101 -4.073 1.00 10.00 C ATOM 724 C LEU A 54 -3.248 -2.262 -4.790 1.00 10.00 C ATOM 725 O LEU A 54 -4.442 -2.261 -5.072 1.00 10.00 O ATOM 726 CB LEU A 54 -2.472 -1.375 -2.547 1.00 10.00 C ATOM 727 CG LEU A 54 -3.673 -1.879 -1.705 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.884 -3.383 -1.851 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.466 -1.517 -0.253 1.00 10.00 C ATOM 0 H LEU A 54 -4.430 -0.147 -4.569 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.649 -0.926 -4.462 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.671 -2.107 -2.441 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -2.121 -0.450 -2.090 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.572 -1.389 -2.080 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.735 -3.692 -1.244 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.077 -3.623 -2.896 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -2.990 -3.910 -1.517 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -4.312 -1.873 0.335 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.550 -1.982 0.111 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -3.386 -0.434 -0.156 1.00 10.00 H new ATOM 741 N PHE A 55 -2.433 -3.217 -5.107 1.00 10.00 N ATOM 742 CA PHE A 55 -2.860 -4.411 -5.758 1.00 10.00 C ATOM 743 C PHE A 55 -2.271 -5.595 -5.026 1.00 10.00 C ATOM 744 O PHE A 55 -1.060 -5.812 -5.031 1.00 10.00 O ATOM 745 CB PHE A 55 -2.469 -4.423 -7.250 1.00 10.00 C ATOM 746 CG PHE A 55 -3.055 -3.270 -8.024 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.400 -3.257 -8.361 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.268 -2.194 -8.387 1.00 10.00 C ATOM 749 CE1 PHE A 55 -4.943 -2.186 -9.046 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.802 -1.128 -9.073 1.00 10.00 C ATOM 751 CZ PHE A 55 -4.139 -1.120 -9.399 1.00 10.00 C ATOM 0 H PHE A 55 -1.432 -3.186 -4.916 1.00 10.00 H new ATOM 0 HA PHE A 55 -3.948 -4.465 -5.728 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.383 -4.395 -7.335 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.800 -5.360 -7.699 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -5.029 -4.091 -8.086 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.219 -2.190 -8.129 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -5.992 -2.183 -9.304 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -2.172 -0.297 -9.356 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.560 -0.280 -9.931 1.00 10.00 H new ATOM 761 N TYR A 56 -3.117 -6.290 -4.341 1.00 10.00 N ATOM 762 CA TYR A 56 -2.747 -7.460 -3.600 1.00 10.00 C ATOM 763 C TYR A 56 -3.174 -8.642 -4.454 1.00 10.00 C ATOM 764 O TYR A 56 -4.358 -8.825 -4.711 1.00 10.00 O ATOM 765 CB TYR A 56 -3.492 -7.432 -2.229 1.00 10.00 C ATOM 766 CG TYR A 56 -3.253 -8.591 -1.242 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.423 -9.932 -1.605 1.00 10.00 C ATOM 768 CD2 TYR A 56 -2.902 -8.322 0.076 1.00 10.00 C ATOM 769 CE1 TYR A 56 -3.241 -10.953 -0.692 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.715 -9.341 0.994 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.884 -10.654 0.606 1.00 10.00 C ATOM 772 OH TYR A 56 -2.702 -11.675 1.526 1.00 10.00 O ATOM 0 H TYR A 56 -4.108 -6.059 -4.276 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.679 -7.519 -3.389 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.223 -6.505 -1.724 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.562 -7.385 -2.433 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.702 -10.174 -2.620 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -2.773 -7.297 0.390 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -3.378 -11.981 -0.994 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.437 -9.109 2.012 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.452 -11.293 2.393 1.00 10.00 H new ATOM 782 N SER A 57 -2.229 -9.392 -4.929 1.00 10.00 N ATOM 783 CA SER A 57 -2.525 -10.505 -5.790 1.00 10.00 C ATOM 784 C SER A 57 -1.694 -11.700 -5.390 1.00 10.00 C ATOM 785 O SER A 57 -0.470 -11.579 -5.268 1.00 10.00 O ATOM 786 CB SER A 57 -2.247 -10.102 -7.242 1.00 10.00 C ATOM 787 OG SER A 57 -0.928 -9.560 -7.375 1.00 10.00 O ATOM 0 H SER A 57 -1.237 -9.256 -4.736 1.00 10.00 H new ATOM 0 HA SER A 57 -3.576 -10.780 -5.696 1.00 10.00 H new ATOM 0 HB2 SER A 57 -2.356 -10.970 -7.892 1.00 10.00 H new ATOM 0 HB3 SER A 57 -2.982 -9.366 -7.567 1.00 10.00 H new ATOM 0 HG SER A 57 -0.305 -10.075 -6.821 1.00 10.00 H new ATOM 793 N GLN A 58 -2.354 -12.820 -5.095 1.00 10.00 N ATOM 794 CA GLN A 58 -1.722 -14.113 -4.726 1.00 10.00 C ATOM 795 C GLN A 58 -1.150 -14.098 -3.299 1.00 10.00 C ATOM 796 O GLN A 58 -1.206 -15.097 -2.578 1.00 10.00 O ATOM 797 CB GLN A 58 -0.636 -14.533 -5.743 1.00 10.00 C ATOM 798 CG GLN A 58 0.053 -15.856 -5.414 1.00 10.00 C ATOM 799 CD GLN A 58 1.166 -16.249 -6.375 1.00 10.00 C ATOM 800 OE1 GLN A 58 1.883 -15.288 -6.929 1.00 10.00 O flip ATOM 801 NE2 GLN A 58 1.401 -17.433 -6.597 1.00 10.00 N flip ATOM 0 H GLN A 58 -3.373 -12.867 -5.103 1.00 10.00 H new ATOM 0 HA GLN A 58 -2.517 -14.858 -4.753 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -1.090 -14.609 -6.731 1.00 10.00 H new ATOM 0 HB3 GLN A 58 0.118 -13.748 -5.798 1.00 10.00 H new ATOM 0 HG2 GLN A 58 0.466 -15.795 -4.407 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -0.696 -16.648 -5.404 1.00 10.00 H new ATOM 0 HE21 GLN A 58 0.833 -18.157 -6.157 1.00 10.00 H new ATOM 0 HE22 GLN A 58 2.164 -17.693 -7.221 1.00 10.00 H new ATOM 810 N GLY A 59 -0.644 -12.972 -2.909 1.00 10.00 N ATOM 811 CA GLY A 59 0.025 -12.822 -1.652 1.00 10.00 C ATOM 812 C GLY A 59 1.079 -11.757 -1.758 1.00 10.00 C ATOM 813 O GLY A 59 1.593 -11.274 -0.755 1.00 10.00 O ATOM 0 H GLY A 59 -0.683 -12.116 -3.462 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -0.694 -12.558 -0.877 1.00 10.00 H new ATOM 0 HA3 GLY A 59 0.480 -13.768 -1.357 1.00 10.00 H new ATOM 817 N VAL A 60 1.420 -11.390 -2.988 1.00 10.00 N ATOM 818 CA VAL A 60 2.353 -10.328 -3.200 1.00 10.00 C ATOM 819 C VAL A 60 1.604 -9.000 -3.144 1.00 10.00 C ATOM 820 O VAL A 60 0.477 -8.867 -3.677 1.00 10.00 O ATOM 821 CB VAL A 60 3.170 -10.468 -4.542 1.00 10.00 C ATOM 822 CG1 VAL A 60 3.825 -11.837 -4.643 1.00 10.00 C ATOM 823 CG2 VAL A 60 2.336 -10.180 -5.790 1.00 10.00 C ATOM 0 H VAL A 60 1.058 -11.819 -3.839 1.00 10.00 H new ATOM 0 HA VAL A 60 3.099 -10.374 -2.406 1.00 10.00 H new ATOM 0 HB VAL A 60 3.946 -9.704 -4.503 1.00 10.00 H new ATOM 0 HG11 VAL A 60 4.382 -11.906 -5.578 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.506 -11.977 -3.804 1.00 10.00 H new ATOM 0 HG13 VAL A 60 3.057 -12.610 -4.620 1.00 10.00 H new ATOM 0 HG21 VAL A 60 2.958 -10.294 -6.678 1.00 10.00 H new ATOM 0 HG22 VAL A 60 1.502 -10.880 -5.839 1.00 10.00 H new ATOM 0 HG23 VAL A 60 1.953 -9.161 -5.744 1.00 10.00 H new ATOM 833 N PHE A 61 2.169 -8.081 -2.436 1.00 10.00 N ATOM 834 CA PHE A 61 1.622 -6.759 -2.275 1.00 10.00 C ATOM 835 C PHE A 61 2.285 -5.761 -3.207 1.00 10.00 C ATOM 836 O PHE A 61 3.500 -5.566 -3.138 1.00 10.00 O ATOM 837 CB PHE A 61 1.963 -6.268 -0.896 1.00 10.00 C ATOM 838 CG PHE A 61 0.885 -6.159 0.105 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.285 -5.467 -0.165 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.082 -6.681 1.358 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.230 -5.316 0.813 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.155 -6.519 2.343 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.999 -5.834 2.071 1.00 10.00 C ATOM 0 H PHE A 61 3.047 -8.223 -1.937 1.00 10.00 H new ATOM 0 HA PHE A 61 0.552 -6.827 -2.472 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.726 -6.931 -0.489 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.419 -5.283 -0.999 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.451 -5.047 -1.146 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.988 -7.230 1.567 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.152 -4.794 0.602 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.328 -6.927 3.328 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.736 -5.698 2.849 1.00 10.00 H new ATOM 853 N PHE A 62 1.532 -5.135 -4.052 1.00 10.00 N ATOM 854 CA PHE A 62 2.046 -3.981 -4.732 1.00 10.00 C ATOM 855 C PHE A 62 1.294 -2.795 -4.184 1.00 10.00 C ATOM 856 O PHE A 62 0.083 -2.713 -4.325 1.00 10.00 O ATOM 857 CB PHE A 62 1.906 -4.065 -6.254 1.00 10.00 C ATOM 858 CG PHE A 62 2.470 -2.853 -6.962 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.841 -2.694 -7.104 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.632 -1.869 -7.470 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.360 -1.584 -7.738 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.146 -0.758 -8.105 1.00 10.00 C ATOM 863 CZ PHE A 62 3.511 -0.614 -8.239 1.00 10.00 C ATOM 0 H PHE A 62 0.574 -5.394 -4.288 1.00 10.00 H new ATOM 0 HA PHE A 62 3.118 -3.899 -4.555 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.416 -4.959 -6.612 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.853 -4.173 -6.512 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.509 -3.447 -6.714 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.562 -1.975 -7.366 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.429 -1.473 -7.843 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.481 -0.002 -8.496 1.00 10.00 H new ATOM 0 HZ PHE A 62 3.917 0.256 -8.735 1.00 10.00 H new ATOM 873 N GLN A 63 1.977 -1.915 -3.538 1.00 10.00 N ATOM 874 CA GLN A 63 1.336 -0.791 -2.893 1.00 10.00 C ATOM 875 C GLN A 63 2.206 0.411 -3.154 1.00 10.00 C ATOM 876 O GLN A 63 3.423 0.339 -2.958 1.00 10.00 O ATOM 877 CB GLN A 63 1.241 -1.105 -1.374 1.00 10.00 C ATOM 878 CG GLN A 63 0.247 -0.293 -0.509 1.00 10.00 C ATOM 879 CD GLN A 63 0.482 1.199 -0.471 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.187 1.920 -1.329 1.00 10.00 O flip ATOM 881 NE2 GLN A 63 1.225 1.698 0.362 1.00 10.00 N flip ATOM 0 H GLN A 63 2.991 -1.941 -3.434 1.00 10.00 H new ATOM 0 HA GLN A 63 0.330 -0.601 -3.268 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.985 -2.159 -1.270 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.235 -0.974 -0.946 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.762 -0.474 -0.880 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.285 -0.675 0.511 1.00 10.00 H new ATOM 0 HE21 GLN A 63 1.731 1.101 1.016 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.338 2.711 0.403 1.00 10.00 H new ATOM 890 N TRP A 64 1.636 1.481 -3.640 1.00 10.00 N ATOM 891 CA TRP A 64 2.416 2.643 -3.887 1.00 10.00 C ATOM 892 C TRP A 64 1.626 3.894 -3.535 1.00 10.00 C ATOM 893 O TRP A 64 0.391 3.835 -3.369 1.00 10.00 O ATOM 894 CB TRP A 64 2.893 2.684 -5.345 1.00 10.00 C ATOM 895 CG TRP A 64 1.984 3.232 -6.378 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.233 4.342 -7.108 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.715 2.742 -6.814 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.241 4.561 -7.985 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.282 3.607 -7.829 1.00 10.00 C ATOM 900 CE3 TRP A 64 -0.091 1.665 -6.460 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.917 3.431 -8.495 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.288 1.500 -7.117 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.689 2.378 -8.125 1.00 10.00 C ATOM 0 H TRP A 64 0.645 1.564 -3.868 1.00 10.00 H new ATOM 0 HA TRP A 64 3.300 2.606 -3.251 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.815 3.265 -5.374 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.149 1.666 -5.637 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.108 4.966 -7.001 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.210 5.323 -8.662 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.216 0.975 -5.688 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -1.227 4.106 -9.279 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.930 0.675 -6.848 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.634 2.216 -8.621 1.00 10.00 H new ATOM 914 N LEU A 65 2.311 5.001 -3.427 1.00 10.00 N ATOM 915 CA LEU A 65 1.690 6.248 -3.060 1.00 10.00 C ATOM 916 C LEU A 65 2.363 7.429 -3.727 1.00 10.00 C ATOM 917 O LEU A 65 3.588 7.438 -3.910 1.00 10.00 O ATOM 918 CB LEU A 65 1.700 6.456 -1.545 1.00 10.00 C ATOM 919 CG LEU A 65 3.066 6.412 -0.869 1.00 10.00 C ATOM 920 CD1 LEU A 65 3.002 7.170 0.407 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.515 4.977 -0.576 1.00 10.00 C ATOM 0 H LEU A 65 3.316 5.065 -3.591 1.00 10.00 H new ATOM 0 HA LEU A 65 0.658 6.189 -3.406 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.241 7.421 -1.329 1.00 10.00 H new ATOM 0 HB3 LEU A 65 1.068 5.693 -1.090 1.00 10.00 H new ATOM 0 HG LEU A 65 3.791 6.858 -1.550 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.976 7.143 0.896 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.728 8.205 0.202 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.255 6.720 1.061 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.493 4.993 -0.095 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.793 4.498 0.085 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.579 4.418 -1.510 1.00 10.00 H new ATOM 933 N GLU A 66 1.555 8.400 -4.082 1.00 10.00 N ATOM 934 CA GLU A 66 1.985 9.635 -4.668 1.00 10.00 C ATOM 935 C GLU A 66 1.842 10.722 -3.589 1.00 10.00 C ATOM 936 O GLU A 66 0.760 10.895 -3.045 1.00 10.00 O ATOM 937 CB GLU A 66 1.027 10.028 -5.788 1.00 10.00 C ATOM 938 CG GLU A 66 0.690 8.990 -6.849 1.00 10.00 C ATOM 939 CD GLU A 66 -0.347 9.545 -7.826 1.00 10.00 C ATOM 940 OE1 GLU A 66 0.039 10.188 -8.818 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.563 9.385 -7.584 1.00 10.00 O ATOM 0 H GLU A 66 0.543 8.343 -3.964 1.00 10.00 H new ATOM 0 HA GLU A 66 3.003 9.533 -5.043 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.092 10.348 -5.328 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.447 10.897 -6.295 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.593 8.706 -7.389 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.306 8.087 -6.375 1.00 10.00 H new ATOM 948 N GLY A 67 2.888 11.435 -3.285 1.00 10.00 N ATOM 949 CA GLY A 67 2.799 12.505 -2.300 1.00 10.00 C ATOM 950 C GLY A 67 4.044 13.365 -2.345 1.00 10.00 C ATOM 951 O GLY A 67 4.940 13.053 -3.106 1.00 10.00 O ATOM 0 H GLY A 67 3.813 11.306 -3.695 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.919 13.117 -2.496 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.677 12.082 -1.303 1.00 10.00 H new ATOM 955 N HIS A 68 4.110 14.456 -1.582 1.00 10.00 N ATOM 956 CA HIS A 68 5.361 15.241 -1.508 1.00 10.00 C ATOM 957 C HIS A 68 6.396 14.411 -0.750 1.00 10.00 C ATOM 958 O HIS A 68 6.097 13.942 0.324 1.00 10.00 O ATOM 959 CB HIS A 68 5.150 16.619 -0.820 1.00 10.00 C ATOM 960 CG HIS A 68 6.407 17.332 -0.489 1.00 10.00 C ATOM 961 ND1 HIS A 68 7.157 18.094 -1.229 1.00 10.00 N flip ATOM 962 CD2 HIS A 68 7.044 17.218 0.731 1.00 10.00 C flip ATOM 963 CE1 HIS A 68 8.272 18.439 -0.481 1.00 10.00 C flip ATOM 964 NE2 HIS A 68 8.162 17.882 0.708 1.00 10.00 N flip ATOM 0 H HIS A 68 3.340 14.816 -1.018 1.00 10.00 H new ATOM 0 HA HIS A 68 5.707 15.455 -2.519 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.549 17.251 -1.474 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.577 16.471 0.096 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.670 16.661 1.577 1.00 10.00 H new ATOM 0 HE1 HIS A 68 9.091 19.058 -0.816 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.833 17.958 1.473 1.00 10.00 H new ATOM 973 N PRO A 69 7.642 14.263 -1.309 1.00 10.00 N ATOM 974 CA PRO A 69 8.721 13.370 -0.818 1.00 10.00 C ATOM 975 C PRO A 69 8.764 13.109 0.686 1.00 10.00 C ATOM 976 O PRO A 69 8.815 11.963 1.109 1.00 10.00 O ATOM 977 CB PRO A 69 10.004 14.066 -1.282 1.00 10.00 C ATOM 978 CG PRO A 69 9.566 15.204 -2.153 1.00 10.00 C ATOM 979 CD PRO A 69 8.126 14.968 -2.484 1.00 10.00 C ATOM 0 HA PRO A 69 8.564 12.367 -1.216 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.582 14.426 -0.431 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.644 13.377 -1.833 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.693 16.156 -1.637 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.168 15.250 -3.060 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.589 15.903 -2.646 1.00 10.00 H new ATOM 0 HD3 PRO A 69 8.011 14.373 -3.390 1.00 10.00 H new ATOM 987 N ALA A 70 8.707 14.145 1.488 1.00 10.00 N ATOM 988 CA ALA A 70 8.808 13.962 2.927 1.00 10.00 C ATOM 989 C ALA A 70 7.588 13.359 3.554 1.00 10.00 C ATOM 990 O ALA A 70 7.694 12.655 4.565 1.00 10.00 O ATOM 991 CB ALA A 70 9.229 15.206 3.630 1.00 10.00 C ATOM 0 H ALA A 70 8.593 15.111 1.181 1.00 10.00 H new ATOM 0 HA ALA A 70 9.601 13.225 3.058 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.289 15.016 4.702 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.206 15.519 3.262 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.500 15.995 3.442 1.00 10.00 H new ATOM 997 N ALA A 71 6.461 13.606 2.986 1.00 10.00 N ATOM 998 CA ALA A 71 5.246 13.022 3.469 1.00 10.00 C ATOM 999 C ALA A 71 5.316 11.554 3.214 1.00 10.00 C ATOM 1000 O ALA A 71 5.059 10.731 4.094 1.00 10.00 O ATOM 1001 CB ALA A 71 4.095 13.574 2.718 1.00 10.00 C ATOM 0 H ALA A 71 6.348 14.215 2.176 1.00 10.00 H new ATOM 0 HA ALA A 71 5.122 13.235 4.531 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.172 13.128 3.088 1.00 10.00 H new ATOM 0 HB2 ALA A 71 4.056 14.655 2.855 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.209 13.346 1.658 1.00 10.00 H new ATOM 1007 N VAL A 72 5.748 11.251 1.996 1.00 10.00 N ATOM 1008 CA VAL A 72 5.903 9.903 1.516 1.00 10.00 C ATOM 1009 C VAL A 72 6.895 9.200 2.395 1.00 10.00 C ATOM 1010 O VAL A 72 6.717 8.072 2.728 1.00 10.00 O ATOM 1011 CB VAL A 72 6.476 9.858 0.080 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.084 8.612 -0.605 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.074 11.028 -0.735 1.00 10.00 C ATOM 0 H VAL A 72 6.003 11.959 1.307 1.00 10.00 H new ATOM 0 HA VAL A 72 4.918 9.435 1.526 1.00 10.00 H new ATOM 0 HB VAL A 72 7.561 9.889 0.183 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.499 8.605 -1.613 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.466 7.756 -0.049 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.997 8.554 -0.660 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.505 10.942 -1.732 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.987 11.062 -0.811 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.433 11.942 -0.262 1.00 10.00 H new ATOM 1023 N ALA A 73 7.940 9.907 2.769 1.00 10.00 N ATOM 1024 CA ALA A 73 8.976 9.360 3.600 1.00 10.00 C ATOM 1025 C ALA A 73 8.559 9.156 5.025 1.00 10.00 C ATOM 1026 O ALA A 73 9.050 8.231 5.666 1.00 10.00 O ATOM 1027 CB ALA A 73 10.183 10.179 3.574 1.00 10.00 C ATOM 0 H ALA A 73 8.090 10.880 2.501 1.00 10.00 H new ATOM 0 HA ALA A 73 9.185 8.381 3.169 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.941 9.730 4.215 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.560 10.239 2.553 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.950 11.181 3.934 1.00 10.00 H new ATOM 1033 N GLU A 74 7.719 10.030 5.570 1.00 10.00 N ATOM 1034 CA GLU A 74 7.194 9.755 6.912 1.00 10.00 C ATOM 1035 C GLU A 74 6.391 8.486 6.811 1.00 10.00 C ATOM 1036 O GLU A 74 6.471 7.605 7.656 1.00 10.00 O ATOM 1037 CB GLU A 74 6.287 10.848 7.476 1.00 10.00 C ATOM 1038 CG GLU A 74 5.961 10.579 8.947 1.00 10.00 C ATOM 1039 CD GLU A 74 4.730 11.266 9.457 1.00 10.00 C ATOM 1040 OE1 GLU A 74 4.785 12.469 9.783 1.00 10.00 O ATOM 1041 OE2 GLU A 74 3.684 10.593 9.570 1.00 10.00 O ATOM 0 H GLU A 74 7.397 10.894 5.134 1.00 10.00 H new ATOM 0 HA GLU A 74 8.045 9.689 7.590 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.775 11.818 7.379 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.365 10.896 6.897 1.00 10.00 H new ATOM 0 HG2 GLU A 74 5.844 9.504 9.087 1.00 10.00 H new ATOM 0 HG3 GLU A 74 6.811 10.889 9.555 1.00 10.00 H new ATOM 1048 N VAL A 75 5.641 8.397 5.739 1.00 10.00 N ATOM 1049 CA VAL A 75 4.897 7.225 5.415 1.00 10.00 C ATOM 1050 C VAL A 75 5.835 6.028 5.282 1.00 10.00 C ATOM 1051 O VAL A 75 5.586 5.002 5.880 1.00 10.00 O ATOM 1052 CB VAL A 75 4.069 7.436 4.144 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.502 6.140 3.648 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.959 8.426 4.416 1.00 10.00 C ATOM 0 H VAL A 75 5.535 9.154 5.063 1.00 10.00 H new ATOM 0 HA VAL A 75 4.197 7.019 6.225 1.00 10.00 H new ATOM 0 HB VAL A 75 4.723 7.833 3.368 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.919 6.320 2.745 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.315 5.449 3.424 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.859 5.707 4.415 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.372 8.573 3.509 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.315 8.042 5.207 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.389 9.378 4.729 1.00 10.00 H new ATOM 1064 N MET A 76 6.923 6.178 4.514 1.00 10.00 N ATOM 1065 CA MET A 76 7.952 5.178 4.415 1.00 10.00 C ATOM 1066 C MET A 76 8.409 4.769 5.784 1.00 10.00 C ATOM 1067 O MET A 76 8.405 3.614 6.075 1.00 10.00 O ATOM 1068 CB MET A 76 9.133 5.669 3.581 1.00 10.00 C ATOM 1069 CG MET A 76 8.848 6.002 2.121 1.00 10.00 C ATOM 1070 SD MET A 76 8.614 4.603 1.003 1.00 10.00 S ATOM 1071 CE MET A 76 7.092 3.908 1.596 1.00 10.00 C ATOM 0 H MET A 76 7.099 7.008 3.947 1.00 10.00 H new ATOM 0 HA MET A 76 7.529 4.311 3.908 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.541 6.559 4.060 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.911 4.906 3.611 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.953 6.623 2.082 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.672 6.607 1.742 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.481 3.595 0.750 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.307 3.045 2.227 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.552 4.656 2.177 1.00 10.00 H new ATOM 1081 N SER A 77 8.732 5.727 6.625 1.00 10.00 N ATOM 1082 CA SER A 77 9.127 5.450 8.001 1.00 10.00 C ATOM 1083 C SER A 77 8.042 4.576 8.717 1.00 10.00 C ATOM 1084 O SER A 77 8.362 3.558 9.305 1.00 10.00 O ATOM 1085 CB SER A 77 9.355 6.795 8.735 1.00 10.00 C ATOM 1086 OG SER A 77 9.801 6.638 10.067 1.00 10.00 O ATOM 0 H SER A 77 8.730 6.718 6.382 1.00 10.00 H new ATOM 0 HA SER A 77 10.056 4.881 8.016 1.00 10.00 H new ATOM 0 HB2 SER A 77 10.087 7.383 8.181 1.00 10.00 H new ATOM 0 HB3 SER A 77 8.424 7.363 8.736 1.00 10.00 H new ATOM 0 HG SER A 77 9.928 7.520 10.475 1.00 10.00 H new ATOM 1092 N HIS A 78 6.766 4.934 8.553 1.00 10.00 N ATOM 1093 CA HIS A 78 5.642 4.158 9.142 1.00 10.00 C ATOM 1094 C HIS A 78 5.590 2.727 8.586 1.00 10.00 C ATOM 1095 O HIS A 78 5.413 1.757 9.326 1.00 10.00 O ATOM 1096 CB HIS A 78 4.270 4.800 8.831 1.00 10.00 C ATOM 1097 CG HIS A 78 3.894 6.048 9.576 1.00 10.00 C ATOM 1098 ND1 HIS A 78 2.620 6.274 10.005 1.00 10.00 N ATOM 1099 CD2 HIS A 78 4.584 7.168 9.879 1.00 10.00 C ATOM 1100 CE1 HIS A 78 2.532 7.471 10.528 1.00 10.00 C ATOM 1101 NE2 HIS A 78 3.708 8.045 10.465 1.00 10.00 N ATOM 0 H HIS A 78 6.473 5.753 8.020 1.00 10.00 H new ATOM 0 HA HIS A 78 5.827 4.152 10.216 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.240 5.025 7.765 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.500 4.052 9.021 1.00 10.00 H new ATOM 0 HD2 HIS A 78 5.634 7.341 9.694 1.00 10.00 H new ATOM 0 HE1 HIS A 78 1.638 7.912 10.943 1.00 10.00 H new ATOM 0 HE2 HIS A 78 3.933 8.983 10.795 1.00 10.00 H new ATOM 1110 N ILE A 79 5.743 2.608 7.283 1.00 10.00 N ATOM 1111 CA ILE A 79 5.544 1.331 6.615 1.00 10.00 C ATOM 1112 C ILE A 79 6.792 0.448 6.659 1.00 10.00 C ATOM 1113 O ILE A 79 6.689 -0.788 6.738 1.00 10.00 O ATOM 1114 CB ILE A 79 5.110 1.488 5.137 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.087 2.594 4.952 1.00 10.00 C ATOM 1116 CG2 ILE A 79 4.472 0.209 4.713 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.584 2.726 3.525 1.00 10.00 C ATOM 0 H ILE A 79 6.004 3.376 6.664 1.00 10.00 H new ATOM 0 HA ILE A 79 4.740 0.851 7.173 1.00 10.00 H new ATOM 0 HB ILE A 79 5.993 1.736 4.548 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.239 2.407 5.611 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.529 3.541 5.262 1.00 10.00 H new ATOM 0 HG21 ILE A 79 4.154 0.288 3.673 1.00 10.00 H new ATOM 0 HG22 ILE A 79 5.189 -0.606 4.813 1.00 10.00 H new ATOM 0 HG23 ILE A 79 3.605 0.008 5.343 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.857 3.536 3.469 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.422 2.944 2.863 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.112 1.793 3.218 1.00 10.00 H new ATOM 1129 N GLN A 80 7.956 1.065 6.548 1.00 10.00 N ATOM 1130 CA GLN A 80 9.232 0.361 6.612 1.00 10.00 C ATOM 1131 C GLN A 80 9.457 -0.224 7.982 1.00 10.00 C ATOM 1132 O GLN A 80 10.161 -1.211 8.133 1.00 10.00 O ATOM 1133 CB GLN A 80 10.387 1.256 6.160 1.00 10.00 C ATOM 1134 CG GLN A 80 10.261 1.697 4.706 1.00 10.00 C ATOM 1135 CD GLN A 80 10.158 0.556 3.821 1.00 10.00 C ATOM 1136 OE1 GLN A 80 8.996 0.178 3.571 1.00 10.00 O flip ATOM 1137 NE2 GLN A 80 11.150 0.020 3.342 1.00 10.00 N flip ATOM 0 H GLN A 80 8.046 2.072 6.410 1.00 10.00 H new ATOM 0 HA GLN A 80 9.195 -0.474 5.912 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.429 2.138 6.800 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.328 0.721 6.292 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.382 2.331 4.590 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.127 2.299 4.429 1.00 10.00 H new ATOM 0 HE21 GLN A 80 12.080 0.366 3.577 1.00 10.00 H new ATOM 0 HE22 GLN A 80 11.046 -0.772 2.708 1.00 10.00 H new ATOM 1146 N ARG A 81 8.799 0.348 8.968 1.00 10.00 N ATOM 1147 CA ARG A 81 8.752 -0.203 10.315 1.00 10.00 C ATOM 1148 C ARG A 81 7.736 -1.366 10.378 1.00 10.00 C ATOM 1149 O ARG A 81 7.123 -1.600 11.426 1.00 10.00 O ATOM 1150 CB ARG A 81 8.346 0.884 11.314 1.00 10.00 C ATOM 1151 CG ARG A 81 9.485 1.662 11.966 1.00 10.00 C ATOM 1152 CD ARG A 81 10.454 2.286 10.981 1.00 10.00 C ATOM 1153 NE ARG A 81 11.348 3.230 11.655 1.00 10.00 N ATOM 1154 CZ ARG A 81 12.199 4.066 11.061 1.00 10.00 C ATOM 1155 NH1 ARG A 81 12.462 3.966 9.761 1.00 10.00 N ATOM 1156 NH2 ARG A 81 12.830 4.974 11.793 1.00 10.00 N ATOM 0 H ARG A 81 8.275 1.217 8.861 1.00 10.00 H new ATOM 0 HA ARG A 81 9.743 -0.577 10.573 1.00 10.00 H new ATOM 0 HB2 ARG A 81 7.696 1.594 10.802 1.00 10.00 H new ATOM 0 HB3 ARG A 81 7.753 0.420 12.102 1.00 10.00 H new ATOM 0 HG2 ARG A 81 9.062 2.449 12.591 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.036 0.993 12.626 1.00 10.00 H new ATOM 0 HD2 ARG A 81 11.041 1.505 10.497 1.00 10.00 H new ATOM 0 HD3 ARG A 81 9.900 2.801 10.196 1.00 10.00 H new ATOM 0 HE ARG A 81 11.316 3.249 12.674 1.00 10.00 H new ATOM 0 HH11 ARG A 81 12.010 3.241 9.203 1.00 10.00 H new ATOM 0 HH12 ARG A 81 13.116 4.614 9.322 1.00 10.00 H new ATOM 0 HH21 ARG A 81 12.661 5.026 12.798 1.00 10.00 H new ATOM 0 HH22 ARG A 81 13.484 5.620 11.351 1.00 10.00 H new ATOM 1170 N ASP A 82 7.584 -2.074 9.231 1.00 10.00 N ATOM 1171 CA ASP A 82 6.727 -3.220 9.032 1.00 10.00 C ATOM 1172 C ASP A 82 6.467 -4.077 10.209 1.00 10.00 C ATOM 1173 O ASP A 82 7.360 -4.472 10.985 1.00 10.00 O ATOM 1174 CB ASP A 82 7.109 -4.012 7.799 1.00 10.00 C ATOM 1175 CG ASP A 82 6.456 -5.382 7.682 1.00 10.00 C ATOM 1176 OD1 ASP A 82 5.203 -5.474 7.859 1.00 10.00 O ATOM 1177 OD2 ASP A 82 7.139 -6.340 7.313 1.00 10.00 O ATOM 0 H ASP A 82 8.096 -1.828 8.384 1.00 10.00 H new ATOM 0 HA ASP A 82 5.750 -2.769 8.858 1.00 10.00 H new ATOM 0 HB2 ASP A 82 6.850 -3.427 6.916 1.00 10.00 H new ATOM 0 HB3 ASP A 82 8.191 -4.141 7.790 1.00 10.00 H new ATOM 1182 N ARG A 83 5.225 -4.381 10.259 1.00 10.00 N ATOM 1183 CA ARG A 83 4.554 -5.013 11.353 1.00 10.00 C ATOM 1184 C ARG A 83 3.200 -5.551 10.878 1.00 10.00 C ATOM 1185 O ARG A 83 2.302 -5.813 11.677 1.00 10.00 O ATOM 1186 CB ARG A 83 4.378 -3.951 12.446 1.00 10.00 C ATOM 1187 CG ARG A 83 3.921 -2.593 11.900 1.00 10.00 C ATOM 1188 CD ARG A 83 3.914 -1.524 12.996 1.00 10.00 C ATOM 1189 NE ARG A 83 2.942 -1.825 14.058 1.00 10.00 N ATOM 1190 CZ ARG A 83 3.041 -1.459 15.351 1.00 10.00 C ATOM 1191 NH1 ARG A 83 4.118 -0.815 15.798 1.00 10.00 N ATOM 1192 NH2 ARG A 83 2.059 -1.761 16.193 1.00 10.00 N ATOM 0 H ARG A 83 4.595 -4.183 9.482 1.00 10.00 H new ATOM 0 HA ARG A 83 5.124 -5.856 11.743 1.00 10.00 H new ATOM 0 HB2 ARG A 83 3.649 -4.306 13.175 1.00 10.00 H new ATOM 0 HB3 ARG A 83 5.322 -3.824 12.975 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.583 -2.283 11.091 1.00 10.00 H new ATOM 0 HG3 ARG A 83 2.922 -2.688 11.475 1.00 10.00 H new ATOM 0 HD2 ARG A 83 4.911 -1.444 13.430 1.00 10.00 H new ATOM 0 HD3 ARG A 83 3.680 -0.555 12.555 1.00 10.00 H new ATOM 0 HE ARG A 83 2.116 -2.361 13.791 1.00 10.00 H new ATOM 0 HH11 ARG A 83 4.881 -0.593 15.159 1.00 10.00 H new ATOM 0 HH12 ARG A 83 4.179 -0.544 16.779 1.00 10.00 H new ATOM 0 HH21 ARG A 83 1.238 -2.266 15.859 1.00 10.00 H new ATOM 0 HH22 ARG A 83 2.126 -1.488 17.173 1.00 10.00 H new ATOM 1206 N ARG A 84 3.074 -5.747 9.570 1.00 10.00 N ATOM 1207 CA ARG A 84 1.834 -6.185 8.969 1.00 10.00 C ATOM 1208 C ARG A 84 2.159 -7.173 7.854 1.00 10.00 C ATOM 1209 O ARG A 84 1.986 -8.356 7.985 1.00 10.00 O ATOM 1210 CB ARG A 84 1.086 -5.001 8.317 1.00 10.00 C ATOM 1211 CG ARG A 84 0.781 -3.799 9.194 1.00 10.00 C ATOM 1212 CD ARG A 84 -0.237 -4.078 10.291 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.583 -2.822 10.936 1.00 10.00 N ATOM 1214 CZ ARG A 84 -1.759 -2.523 11.507 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -2.620 -3.481 11.842 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -2.036 -1.262 11.819 1.00 10.00 N ATOM 0 H ARG A 84 3.832 -5.605 8.903 1.00 10.00 H new ATOM 0 HA ARG A 84 1.215 -6.630 9.748 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.676 -4.657 7.467 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.143 -5.376 7.920 1.00 10.00 H new ATOM 0 HG2 ARG A 84 1.707 -3.451 9.651 1.00 10.00 H new ATOM 0 HG3 ARG A 84 0.411 -2.988 8.566 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -1.128 -4.545 9.870 1.00 10.00 H new ATOM 0 HD3 ARG A 84 0.175 -4.776 11.020 1.00 10.00 H new ATOM 0 HE ARG A 84 0.137 -2.100 10.956 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -2.389 -4.459 11.665 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -3.511 -3.237 12.276 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -1.356 -0.527 11.624 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -2.929 -1.028 12.253 1.00 10.00 H new ATOM 1230 N HIS A 85 2.703 -6.634 6.803 1.00 10.00 N ATOM 1231 CA HIS A 85 3.022 -7.302 5.584 1.00 10.00 C ATOM 1232 C HIS A 85 4.395 -7.936 5.673 1.00 10.00 C ATOM 1233 O HIS A 85 4.891 -8.216 6.747 1.00 10.00 O ATOM 1234 CB HIS A 85 2.924 -6.301 4.377 1.00 10.00 C ATOM 1235 CG HIS A 85 3.724 -5.007 4.477 1.00 10.00 C ATOM 1236 ND1 HIS A 85 4.777 -4.655 5.238 1.00 10.00 N flip ATOM 1237 CD2 HIS A 85 3.422 -3.868 3.769 1.00 10.00 C flip ATOM 1238 CE1 HIS A 85 5.056 -3.391 5.005 1.00 10.00 C flip ATOM 1239 NE2 HIS A 85 4.264 -2.932 4.130 1.00 10.00 N flip ATOM 0 H HIS A 85 2.952 -5.645 6.778 1.00 10.00 H new ATOM 0 HA HIS A 85 2.300 -8.101 5.415 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.242 -6.826 3.476 1.00 10.00 H new ATOM 0 HB3 HIS A 85 1.875 -6.040 4.240 1.00 10.00 H new ATOM 0 HD2 HIS A 85 2.630 -3.763 3.043 1.00 10.00 H new ATOM 0 HE1 HIS A 85 5.842 -2.829 5.487 1.00 10.00 H new ATOM 0 HE2 HIS A 85 4.279 -1.980 3.763 1.00 10.00 H new ATOM 1248 N SER A 86 4.965 -8.208 4.563 1.00 10.00 N ATOM 1249 CA SER A 86 6.219 -8.819 4.528 1.00 10.00 C ATOM 1250 C SER A 86 7.250 -8.115 3.672 1.00 10.00 C ATOM 1251 O SER A 86 7.088 -7.962 2.461 1.00 10.00 O ATOM 1252 CB SER A 86 6.021 -10.199 4.133 1.00 10.00 C ATOM 1253 OG SER A 86 5.614 -10.968 5.232 1.00 10.00 O ATOM 0 H SER A 86 4.563 -8.007 3.647 1.00 10.00 H new ATOM 0 HA SER A 86 6.654 -8.758 5.526 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.270 -10.254 3.344 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.946 -10.602 3.721 1.00 10.00 H new ATOM 0 HG SER A 86 5.636 -11.918 4.993 1.00 10.00 H new ATOM 1259 N ASN A 87 8.258 -7.633 4.349 1.00 10.00 N ATOM 1260 CA ASN A 87 9.511 -7.027 3.782 1.00 10.00 C ATOM 1261 C ASN A 87 9.433 -5.620 3.289 1.00 10.00 C ATOM 1262 O ASN A 87 10.367 -4.861 3.479 1.00 10.00 O ATOM 1263 CB ASN A 87 10.289 -7.935 2.816 1.00 10.00 C ATOM 1264 CG ASN A 87 11.004 -9.064 3.517 1.00 10.00 C ATOM 1265 OD1 ASN A 87 12.156 -8.929 3.917 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.346 -10.176 3.658 1.00 10.00 N ATOM 0 H ASN A 87 8.262 -7.636 5.369 1.00 10.00 H new ATOM 0 HA ASN A 87 10.106 -6.946 4.692 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.600 -8.350 2.081 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.016 -7.336 2.269 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.786 -10.975 4.115 1.00 10.00 H new ATOM 0 HD22 ASN A 87 9.389 -10.250 3.312 1.00 10.00 H new ATOM 1273 N VAL A 88 8.319 -5.281 2.744 1.00 10.00 N ATOM 1274 CA VAL A 88 8.043 -4.009 2.116 1.00 10.00 C ATOM 1275 C VAL A 88 9.223 -3.374 1.371 1.00 10.00 C ATOM 1276 O VAL A 88 9.841 -2.397 1.823 1.00 10.00 O ATOM 1277 CB VAL A 88 7.298 -3.038 3.053 1.00 10.00 C ATOM 1278 CG1 VAL A 88 8.006 -2.766 4.321 1.00 10.00 C ATOM 1279 CG2 VAL A 88 6.881 -1.750 2.386 1.00 10.00 C ATOM 0 H VAL A 88 7.519 -5.913 2.716 1.00 10.00 H new ATOM 0 HA VAL A 88 7.351 -4.247 1.309 1.00 10.00 H new ATOM 0 HB VAL A 88 6.387 -3.579 3.308 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.418 -2.075 4.925 1.00 10.00 H new ATOM 0 HG12 VAL A 88 8.144 -3.699 4.868 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.979 -2.324 4.107 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.363 -1.118 3.107 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.764 -1.229 2.016 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.214 -1.971 1.552 1.00 10.00 H new ATOM 1289 N GLU A 89 9.530 -3.933 0.251 1.00 10.00 N ATOM 1290 CA GLU A 89 10.637 -3.485 -0.517 1.00 10.00 C ATOM 1291 C GLU A 89 10.163 -2.467 -1.492 1.00 10.00 C ATOM 1292 O GLU A 89 9.622 -2.816 -2.538 1.00 10.00 O ATOM 1293 CB GLU A 89 11.274 -4.655 -1.229 1.00 10.00 C ATOM 1294 CG GLU A 89 11.598 -5.752 -0.282 1.00 10.00 C ATOM 1295 CD GLU A 89 12.010 -7.031 -0.942 1.00 10.00 C ATOM 1296 OE1 GLU A 89 13.207 -7.191 -1.239 1.00 10.00 O ATOM 1297 OE2 GLU A 89 11.149 -7.916 -1.161 1.00 10.00 O ATOM 0 H GLU A 89 9.019 -4.715 -0.158 1.00 10.00 H new ATOM 0 HA GLU A 89 11.387 -3.035 0.133 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.599 -5.025 -2.000 1.00 10.00 H new ATOM 0 HB3 GLU A 89 12.183 -4.326 -1.732 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.400 -5.422 0.378 1.00 10.00 H new ATOM 0 HG3 GLU A 89 10.728 -5.944 0.346 1.00 10.00 H new ATOM 1304 N ILE A 90 10.197 -1.221 -1.041 1.00 10.00 N ATOM 1305 CA ILE A 90 9.926 -0.042 -1.865 1.00 10.00 C ATOM 1306 C ILE A 90 10.563 -0.251 -3.197 1.00 10.00 C ATOM 1307 O ILE A 90 9.892 -0.503 -4.163 1.00 10.00 O ATOM 1308 CB ILE A 90 10.451 1.275 -1.188 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.137 1.276 0.294 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.833 2.533 -1.806 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.681 1.098 0.592 1.00 10.00 C ATOM 0 H ILE A 90 10.418 -0.992 -0.072 1.00 10.00 H new ATOM 0 HA ILE A 90 8.849 0.080 -1.979 1.00 10.00 H new ATOM 0 HB ILE A 90 11.528 1.294 -1.352 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.700 0.478 0.778 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.478 2.215 0.730 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.228 3.416 -1.304 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.081 2.577 -2.866 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.750 2.502 -1.688 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.527 1.108 1.671 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.114 1.910 0.137 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.340 0.146 0.186 1.00 10.00 H new ATOM 1323 N LEU A 91 11.851 -0.195 -3.216 1.00 10.00 N ATOM 1324 CA LEU A 91 12.690 -0.483 -4.384 1.00 10.00 C ATOM 1325 C LEU A 91 12.524 0.555 -5.508 1.00 10.00 C ATOM 1326 O LEU A 91 13.412 0.720 -6.363 1.00 10.00 O ATOM 1327 CB LEU A 91 12.459 -1.917 -4.915 1.00 10.00 C ATOM 1328 CG LEU A 91 12.789 -3.077 -3.952 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.501 -4.410 -4.624 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.246 -3.016 -3.511 1.00 10.00 C ATOM 0 H LEU A 91 12.396 0.062 -2.393 1.00 10.00 H new ATOM 0 HA LEU A 91 13.722 -0.413 -4.039 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.413 -2.006 -5.209 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.056 -2.045 -5.818 1.00 10.00 H new ATOM 0 HG LEU A 91 12.159 -2.980 -3.068 1.00 10.00 H new ATOM 0 HD11 LEU A 91 12.737 -5.222 -3.937 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.447 -4.460 -4.896 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.113 -4.505 -5.521 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.456 -3.843 -2.833 1.00 10.00 H new ATOM 0 HD22 LEU A 91 14.894 -3.090 -4.384 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.432 -2.072 -3.000 1.00 10.00 H new ATOM 1342 N ALA A 92 11.406 1.232 -5.517 1.00 10.00 N ATOM 1343 CA ALA A 92 11.124 2.222 -6.503 1.00 10.00 C ATOM 1344 C ALA A 92 10.642 3.485 -5.853 1.00 10.00 C ATOM 1345 O ALA A 92 9.586 3.502 -5.220 1.00 10.00 O ATOM 1346 CB ALA A 92 10.071 1.703 -7.456 1.00 10.00 C ATOM 0 H ALA A 92 10.663 1.105 -4.830 1.00 10.00 H new ATOM 0 HA ALA A 92 12.038 2.440 -7.055 1.00 10.00 H new ATOM 0 HB1 ALA A 92 9.857 2.461 -8.209 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.436 0.799 -7.944 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.160 1.474 -6.902 1.00 10.00 H new ATOM 1352 N GLU A 93 11.427 4.518 -5.968 1.00 10.00 N ATOM 1353 CA GLU A 93 11.042 5.824 -5.507 1.00 10.00 C ATOM 1354 C GLU A 93 11.303 6.784 -6.647 1.00 10.00 C ATOM 1355 O GLU A 93 12.451 6.985 -7.047 1.00 10.00 O ATOM 1356 CB GLU A 93 11.824 6.249 -4.256 1.00 10.00 C ATOM 1357 CG GLU A 93 11.696 5.322 -3.089 1.00 10.00 C ATOM 1358 CD GLU A 93 12.443 5.814 -1.879 1.00 10.00 C ATOM 1359 OE1 GLU A 93 11.911 6.664 -1.142 1.00 10.00 O ATOM 1360 OE2 GLU A 93 13.582 5.375 -1.637 1.00 10.00 O ATOM 0 H GLU A 93 12.357 4.479 -6.386 1.00 10.00 H new ATOM 0 HA GLU A 93 9.991 5.821 -5.220 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.879 6.338 -4.517 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.486 7.240 -3.953 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.642 5.202 -2.838 1.00 10.00 H new ATOM 0 HG3 GLU A 93 12.071 4.337 -3.368 1.00 10.00 H new ATOM 1367 N GLU A 94 10.269 7.311 -7.207 1.00 10.00 N ATOM 1368 CA GLU A 94 10.392 8.191 -8.345 1.00 10.00 C ATOM 1369 C GLU A 94 9.765 9.535 -8.059 1.00 10.00 C ATOM 1370 O GLU A 94 8.737 9.608 -7.397 1.00 10.00 O ATOM 1371 CB GLU A 94 9.753 7.537 -9.586 1.00 10.00 C ATOM 1372 CG GLU A 94 8.326 7.037 -9.372 1.00 10.00 C ATOM 1373 CD GLU A 94 7.724 6.417 -10.608 1.00 10.00 C ATOM 1374 OE1 GLU A 94 8.153 5.319 -11.005 1.00 10.00 O ATOM 1375 OE2 GLU A 94 6.816 7.014 -11.216 1.00 10.00 O ATOM 0 H GLU A 94 9.310 7.152 -6.898 1.00 10.00 H new ATOM 0 HA GLU A 94 11.451 8.358 -8.545 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.753 8.259 -10.403 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.375 6.699 -9.901 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.322 6.303 -8.566 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.701 7.869 -9.049 1.00 10.00 H new ATOM 1382 N SER A 95 10.386 10.599 -8.511 1.00 10.00 N ATOM 1383 CA SER A 95 9.805 11.895 -8.343 1.00 10.00 C ATOM 1384 C SER A 95 8.733 12.084 -9.391 1.00 10.00 C ATOM 1385 O SER A 95 8.986 11.939 -10.599 1.00 10.00 O ATOM 1386 CB SER A 95 10.845 13.010 -8.402 1.00 10.00 C ATOM 1387 OG SER A 95 10.240 14.284 -8.144 1.00 10.00 O ATOM 0 H SER A 95 11.285 10.586 -8.993 1.00 10.00 H new ATOM 0 HA SER A 95 9.362 11.954 -7.349 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.630 12.820 -7.670 1.00 10.00 H new ATOM 0 HB3 SER A 95 11.319 13.020 -9.383 1.00 10.00 H new ATOM 0 HG SER A 95 9.393 14.154 -7.668 1.00 10.00 H new ATOM 1393 N ILE A 96 7.548 12.367 -8.941 1.00 10.00 N ATOM 1394 CA ILE A 96 6.424 12.525 -9.827 1.00 10.00 C ATOM 1395 C ILE A 96 5.786 13.895 -9.785 1.00 10.00 C ATOM 1396 O ILE A 96 6.146 14.755 -8.979 1.00 10.00 O ATOM 1397 CB ILE A 96 5.344 11.501 -9.568 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.875 11.568 -8.130 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.850 10.112 -9.935 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.584 10.890 -7.868 1.00 10.00 C ATOM 0 H ILE A 96 7.329 12.495 -7.953 1.00 10.00 H new ATOM 0 HA ILE A 96 6.857 12.381 -10.817 1.00 10.00 H new ATOM 0 HB ILE A 96 4.482 11.723 -10.197 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.639 11.124 -7.492 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.786 12.615 -7.840 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.067 9.378 -9.746 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.121 10.090 -10.991 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.725 9.872 -9.331 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.328 10.990 -6.813 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.803 11.347 -8.476 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.670 9.834 -8.122 1.00 10.00 H new ATOM 1412 N ALA A 97 4.834 14.090 -10.663 1.00 10.00 N ATOM 1413 CA ALA A 97 4.029 15.296 -10.685 1.00 10.00 C ATOM 1414 C ALA A 97 2.638 14.945 -10.334 1.00 10.00 C ATOM 1415 O ALA A 97 1.717 15.766 -10.406 1.00 10.00 O ATOM 1416 CB ALA A 97 4.044 15.928 -12.002 1.00 10.00 C ATOM 0 H ALA A 97 4.591 13.416 -11.389 1.00 10.00 H new ATOM 0 HA ALA A 97 4.446 16.001 -9.966 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.430 16.828 -11.980 1.00 10.00 H new ATOM 0 HB2 ALA A 97 5.068 16.193 -12.267 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.645 15.235 -12.743 1.00 10.00 H new ATOM 1422 N LYS A 98 2.535 13.728 -9.938 1.00 10.00 N ATOM 1423 CA LYS A 98 1.391 13.091 -9.499 1.00 10.00 C ATOM 1424 C LYS A 98 0.290 13.108 -10.561 1.00 10.00 C ATOM 1425 O LYS A 98 0.591 13.091 -11.771 1.00 10.00 O ATOM 1426 CB LYS A 98 1.031 13.776 -8.250 1.00 10.00 C ATOM 1427 CG LYS A 98 0.258 12.987 -7.347 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.752 13.759 -6.619 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.318 13.891 -5.240 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.344 14.532 -4.407 1.00 10.00 N ATOM 0 H LYS A 98 3.345 13.108 -9.920 1.00 10.00 H new ATOM 0 HA LYS A 98 1.545 12.028 -9.315 1.00 10.00 H new ATOM 0 HB2 LYS A 98 1.945 14.092 -7.747 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.472 14.680 -8.493 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.236 12.190 -7.903 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.926 12.509 -6.630 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.879 14.742 -7.073 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.719 13.259 -6.666 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -0.084 12.906 -4.836 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.600 14.477 -5.202 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.226 14.231 -3.418 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.246 15.565 -4.469 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -2.288 14.254 -4.743 1.00 10.00 H new ATOM 1444 N ARG A 99 -0.938 12.992 -10.094 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.155 13.126 -10.876 1.00 10.00 C ATOM 1446 C ARG A 99 -2.615 11.792 -11.443 1.00 10.00 C ATOM 1447 O ARG A 99 -3.462 11.725 -12.336 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.049 14.282 -11.916 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.307 14.618 -12.697 1.00 10.00 C ATOM 1450 CD ARG A 99 -4.451 15.038 -11.789 1.00 10.00 C ATOM 1451 NE ARG A 99 -5.560 15.570 -12.574 1.00 10.00 N ATOM 1452 CZ ARG A 99 -5.612 16.829 -13.008 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -4.687 17.699 -12.630 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -6.595 17.227 -13.795 1.00 10.00 N ATOM 0 H ARG A 99 -1.125 12.792 -9.111 1.00 10.00 H new ATOM 0 HA ARG A 99 -2.960 13.430 -10.207 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.724 15.181 -11.393 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.265 14.027 -12.629 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.091 15.421 -13.402 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -3.611 13.751 -13.284 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.790 14.184 -11.203 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -4.104 15.792 -11.082 1.00 10.00 H new ATOM 0 HE ARG A 99 -6.335 14.947 -12.802 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -3.935 17.405 -12.007 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -4.727 18.663 -12.962 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -7.322 16.569 -14.075 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -6.627 18.192 -14.123 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.122 10.733 -10.879 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.558 9.428 -11.294 1.00 10.00 C ATOM 1470 C ARG A 100 -3.840 9.088 -10.557 1.00 10.00 C ATOM 1471 O ARG A 100 -4.823 8.617 -11.157 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.475 8.427 -11.008 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.167 8.815 -11.651 1.00 10.00 C ATOM 1474 CD ARG A 100 0.956 7.922 -11.178 1.00 10.00 C ATOM 1475 NE ARG A 100 2.217 8.169 -11.884 1.00 10.00 N ATOM 1476 CZ ARG A 100 3.418 7.765 -11.450 1.00 10.00 C ATOM 1477 NH1 ARG A 100 3.563 7.311 -10.210 1.00 10.00 N ATOM 1478 NH2 ARG A 100 4.477 7.872 -12.230 1.00 10.00 N ATOM 0 H ARG A 100 -1.423 10.741 -10.136 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.757 9.408 -12.365 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.338 8.339 -9.930 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.782 7.446 -11.372 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.257 8.748 -12.735 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.065 9.853 -11.414 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.108 8.073 -10.109 1.00 10.00 H new ATOM 0 HD3 ARG A 100 0.667 6.880 -11.315 1.00 10.00 H new ATOM 0 HE ARG A 100 2.177 8.683 -12.764 1.00 10.00 H new ATOM 0 HH11 ARG A 100 2.758 7.269 -9.585 1.00 10.00 H new ATOM 0 HH12 ARG A 100 4.479 7.004 -9.883 1.00 10.00 H new ATOM 0 HH21 ARG A 100 4.383 8.264 -13.167 1.00 10.00 H new ATOM 0 HH22 ARG A 100 5.390 7.563 -11.896 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.828 9.327 -9.262 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.982 9.154 -8.413 1.00 10.00 C ATOM 1494 C PHE A 101 -5.205 10.435 -7.621 1.00 10.00 C ATOM 1495 O PHE A 101 -4.351 11.314 -7.612 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.792 7.952 -7.455 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.815 6.600 -8.132 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.758 6.175 -8.923 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.907 5.761 -7.988 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.791 4.954 -9.551 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.942 4.532 -8.615 1.00 10.00 C ATOM 1502 CZ PHE A 101 -4.881 4.130 -9.399 1.00 10.00 C ATOM 0 H PHE A 101 -3.000 9.653 -8.764 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.855 8.946 -9.032 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.842 8.067 -6.933 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.577 7.979 -6.699 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.896 6.814 -9.047 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.742 6.072 -7.377 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.960 4.641 -10.165 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -6.799 3.886 -8.492 1.00 10.00 H new ATOM 0 HZ PHE A 101 -4.906 3.170 -9.893 1.00 10.00 H new ATOM 1512 N ALA A 102 -6.350 10.553 -6.993 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.652 11.711 -6.161 1.00 10.00 C ATOM 1514 C ALA A 102 -6.945 11.276 -4.721 1.00 10.00 C ATOM 1515 O ALA A 102 -7.168 12.108 -3.820 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.806 12.500 -6.738 1.00 10.00 C ATOM 0 H ALA A 102 -7.098 9.861 -7.038 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.778 12.362 -6.146 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -8.014 13.360 -6.101 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -7.547 12.845 -7.739 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.690 11.865 -6.791 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.979 9.984 -4.522 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.112 9.402 -3.221 1.00 10.00 C ATOM 1524 C GLY A 103 -6.467 8.038 -3.219 1.00 10.00 C ATOM 1525 O GLY A 103 -6.367 7.419 -4.286 1.00 10.00 O ATOM 0 H GLY A 103 -6.914 9.299 -5.275 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.641 10.041 -2.474 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.165 9.320 -2.952 1.00 10.00 H new ATOM 1529 N TRP A 104 -5.986 7.582 -2.077 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.431 6.246 -1.966 1.00 10.00 C ATOM 1531 C TRP A 104 -6.566 5.221 -1.938 1.00 10.00 C ATOM 1532 O TRP A 104 -7.648 5.502 -1.414 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.452 6.153 -0.749 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.001 4.767 -0.362 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -2.816 4.142 -0.633 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -4.757 3.861 0.400 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -2.826 2.881 -0.076 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.024 2.697 0.557 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.007 3.937 0.953 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.533 1.622 1.264 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.501 2.939 1.618 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -5.792 1.786 1.784 1.00 10.00 C ATOM 0 H TRP A 104 -5.969 8.120 -1.210 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.824 6.013 -2.841 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.569 6.751 -0.974 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -4.935 6.610 0.115 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -1.999 4.569 -1.196 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.068 2.200 -0.127 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.589 4.839 0.834 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -3.973 0.709 1.398 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.489 3.022 2.047 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.236 0.976 2.343 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.339 4.062 -2.537 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.359 3.046 -2.646 1.00 10.00 C ATOM 1555 C HIS A 105 -6.847 1.709 -2.179 1.00 10.00 C ATOM 1556 O HIS A 105 -5.660 1.416 -2.302 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.785 2.923 -4.100 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.623 4.052 -4.607 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -8.119 5.091 -5.357 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.949 4.282 -4.498 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -9.106 5.898 -5.690 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -10.218 5.430 -5.180 1.00 10.00 N ATOM 0 H HIS A 105 -5.446 3.806 -2.957 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.201 3.337 -2.018 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.892 2.846 -4.720 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.340 1.993 -4.224 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -7.140 5.216 -5.613 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.664 3.669 -3.968 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -9.014 6.795 -6.284 1.00 10.00 H new ATOM 1571 N MET A 106 -7.721 0.909 -1.639 1.00 10.00 N ATOM 1572 CA MET A 106 -7.376 -0.436 -1.270 1.00 10.00 C ATOM 1573 C MET A 106 -7.995 -1.299 -2.358 1.00 10.00 C ATOM 1574 O MET A 106 -9.066 -0.968 -2.847 1.00 10.00 O ATOM 1575 CB MET A 106 -7.971 -0.782 0.106 1.00 10.00 C ATOM 1576 CG MET A 106 -7.188 -1.814 0.920 1.00 10.00 C ATOM 1577 SD MET A 106 -7.004 -3.430 0.129 1.00 10.00 S ATOM 1578 CE MET A 106 -6.007 -4.252 1.369 1.00 10.00 C ATOM 0 H MET A 106 -8.688 1.167 -1.442 1.00 10.00 H new ATOM 0 HA MET A 106 -6.299 -0.586 -1.189 1.00 10.00 H new ATOM 0 HB2 MET A 106 -8.047 0.135 0.691 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.986 -1.153 -0.039 1.00 10.00 H new ATOM 0 HG2 MET A 106 -6.196 -1.413 1.129 1.00 10.00 H new ATOM 0 HG3 MET A 106 -7.685 -1.951 1.880 1.00 10.00 H new ATOM 0 HE1 MET A 106 -5.631 -5.193 0.968 1.00 10.00 H new ATOM 0 HE2 MET A 106 -5.168 -3.613 1.643 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.615 -4.451 2.252 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.321 -2.349 -2.767 1.00 10.00 N ATOM 1589 CA GLN A 107 -7.797 -3.174 -3.878 1.00 10.00 C ATOM 1590 C GLN A 107 -9.092 -3.890 -3.495 1.00 10.00 C ATOM 1591 O GLN A 107 -10.168 -3.551 -3.991 1.00 10.00 O ATOM 1592 CB GLN A 107 -6.691 -4.173 -4.308 1.00 10.00 C ATOM 1593 CG GLN A 107 -6.875 -4.882 -5.671 1.00 10.00 C ATOM 1594 CD GLN A 107 -7.948 -5.956 -5.697 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -7.676 -7.111 -5.415 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -9.143 -5.597 -6.074 1.00 10.00 N ATOM 0 H GLN A 107 -6.442 -2.660 -2.355 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.020 -2.534 -4.732 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -5.742 -3.638 -4.330 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.608 -4.939 -3.537 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -7.115 -4.132 -6.424 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -5.925 -5.332 -5.961 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -9.334 -4.621 -6.302 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -9.887 -6.292 -6.141 1.00 10.00 H new