USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 170 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 173 HIS : no HD1:sc= 0.815 K(o=2.6,f=-3.6!) USER MOD Set 1.2: B 172 SER OG : rot -34:sc= 1.75 USER MOD Set 2.1: A 172 SER OG : rot -23:sc= 1.22 USER MOD Set 2.2: B 173 HIS : no HD1:sc= 0.426 K(o=1.6,f=-4.1!) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N LEU A 166 67.160 49.610 52.660 1.00 0.00 N ATOM 261 CA LEU A 166 67.420 49.160 51.280 1.00 0.00 C ATOM 262 C LEU A 166 66.270 48.470 50.520 1.00 0.00 C ATOM 263 O LEU A 166 66.060 48.840 49.370 1.00 0.00 O ATOM 264 CB LEU A 166 68.720 48.360 51.170 1.00 0.00 C ATOM 265 CG LEU A 166 69.950 49.260 51.080 1.00 0.00 C ATOM 266 CD1 LEU A 166 71.220 48.430 51.260 1.00 0.00 C ATOM 267 CD2 LEU A 166 69.990 49.980 49.720 1.00 0.00 C ATOM 0 HA LEU A 166 67.524 50.108 50.752 1.00 0.00 H new ATOM 0 HB2 LEU A 166 68.815 47.705 52.036 1.00 0.00 H new ATOM 0 HB3 LEU A 166 68.676 47.720 50.289 1.00 0.00 H new ATOM 0 HG LEU A 166 69.892 50.006 51.873 1.00 0.00 H new ATOM 0 HD11 LEU A 166 72.092 49.080 51.194 1.00 0.00 H new ATOM 0 HD12 LEU A 166 71.202 47.945 52.236 1.00 0.00 H new ATOM 0 HD13 LEU A 166 71.273 47.672 50.479 1.00 0.00 H new ATOM 0 HD21 LEU A 166 70.873 50.618 49.672 1.00 0.00 H new ATOM 0 HD22 LEU A 166 70.031 49.242 48.919 1.00 0.00 H new ATOM 0 HD23 LEU A 166 69.095 50.591 49.605 1.00 0.00 H new ATOM 273 N PRO A 167 65.460 47.590 51.140 1.00 0.00 N ATOM 274 CA PRO A 167 64.250 47.040 50.500 1.00 0.00 C ATOM 275 C PRO A 167 63.270 48.130 50.050 1.00 0.00 C ATOM 276 O PRO A 167 63.070 48.300 48.840 1.00 0.00 O ATOM 277 CB PRO A 167 63.620 46.120 51.550 1.00 0.00 C ATOM 278 CG PRO A 167 64.850 45.590 52.290 1.00 0.00 C ATOM 279 CD PRO A 167 65.760 46.820 52.370 1.00 0.00 C ATOM 0 HA PRO A 167 64.505 46.505 49.585 1.00 0.00 H new ATOM 0 HB2 PRO A 167 62.946 46.661 52.214 1.00 0.00 H new ATOM 0 HB3 PRO A 167 63.041 45.317 51.094 1.00 0.00 H new ATOM 0 HG2 PRO A 167 64.594 45.212 53.280 1.00 0.00 H new ATOM 0 HG3 PRO A 167 65.325 44.771 51.749 1.00 0.00 H new ATOM 0 HD2 PRO A 167 65.554 47.407 53.265 1.00 0.00 H new ATOM 0 HD3 PRO A 167 66.811 46.533 52.411 1.00 0.00 H new ATOM 285 N SER A 168 62.830 48.980 50.980 1.00 0.00 N ATOM 286 CA SER A 168 61.890 50.090 50.690 1.00 0.00 C ATOM 287 C SER A 168 62.470 51.170 49.760 1.00 0.00 C ATOM 288 O SER A 168 61.760 51.690 48.890 1.00 0.00 O ATOM 289 CB SER A 168 61.360 50.720 51.980 1.00 0.00 C ATOM 290 OG SER A 168 62.430 51.120 52.830 1.00 0.00 O ATOM 0 H SER A 168 63.110 48.927 51.960 1.00 0.00 H new ATOM 0 HA SER A 168 61.061 49.634 50.148 1.00 0.00 H new ATOM 0 HB2 SER A 168 60.740 51.584 51.739 1.00 0.00 H new ATOM 0 HB3 SER A 168 60.723 50.006 52.503 1.00 0.00 H new ATOM 0 HG SER A 168 62.066 51.521 53.647 1.00 0.00 H new ATOM 296 N LEU A 169 63.760 51.440 49.900 1.00 0.00 N ATOM 297 CA LEU A 169 64.530 52.290 48.960 1.00 0.00 C ATOM 298 C LEU A 169 64.480 51.750 47.530 1.00 0.00 C ATOM 299 O LEU A 169 63.750 52.300 46.700 1.00 0.00 O ATOM 300 CB LEU A 169 65.990 52.430 49.410 1.00 0.00 C ATOM 301 CG LEU A 169 66.160 53.240 50.700 1.00 0.00 C ATOM 302 CD1 LEU A 169 67.630 53.200 51.120 1.00 0.00 C ATOM 303 CD2 LEU A 169 65.720 54.690 50.520 1.00 0.00 C ATOM 0 H LEU A 169 64.321 51.079 50.672 1.00 0.00 H new ATOM 0 HA LEU A 169 64.059 53.273 48.969 1.00 0.00 H new ATOM 0 HB2 LEU A 169 66.413 51.436 49.557 1.00 0.00 H new ATOM 0 HB3 LEU A 169 66.563 52.906 48.614 1.00 0.00 H new ATOM 0 HG LEU A 169 65.529 52.796 51.470 1.00 0.00 H new ATOM 0 HD11 LEU A 169 67.762 53.774 52.037 1.00 0.00 H new ATOM 0 HD12 LEU A 169 67.931 52.167 51.292 1.00 0.00 H new ATOM 0 HD13 LEU A 169 68.246 53.631 50.331 1.00 0.00 H new ATOM 0 HD21 LEU A 169 65.856 55.230 51.457 1.00 0.00 H new ATOM 0 HD22 LEU A 169 66.321 55.158 49.740 1.00 0.00 H new ATOM 0 HD23 LEU A 169 64.668 54.718 50.234 1.00 0.00 H new ATOM 309 N LEU A 170 65.000 50.540 47.340 1.00 0.00 N ATOM 310 CA LEU A 170 65.000 49.840 46.040 1.00 0.00 C ATOM 311 C LEU A 170 63.600 49.710 45.420 1.00 0.00 C ATOM 312 O LEU A 170 63.400 50.170 44.300 1.00 0.00 O ATOM 313 CB LEU A 170 65.630 48.460 46.170 1.00 0.00 C ATOM 314 CG LEU A 170 67.060 48.470 45.610 1.00 0.00 C ATOM 315 CD1 LEU A 170 68.030 47.880 46.630 1.00 0.00 C ATOM 316 CD2 LEU A 170 67.110 47.680 44.300 1.00 0.00 C ATOM 0 H LEU A 170 65.441 50.004 48.088 1.00 0.00 H new ATOM 0 HA LEU A 170 65.595 50.458 45.367 1.00 0.00 H new ATOM 0 HB2 LEU A 170 65.645 48.157 47.217 1.00 0.00 H new ATOM 0 HB3 LEU A 170 65.028 47.726 45.634 1.00 0.00 H new ATOM 0 HG LEU A 170 67.358 49.499 45.410 1.00 0.00 H new ATOM 0 HD11 LEU A 170 69.040 47.893 46.221 1.00 0.00 H new ATOM 0 HD12 LEU A 170 68.001 48.472 47.544 1.00 0.00 H new ATOM 0 HD13 LEU A 170 67.742 46.853 46.854 1.00 0.00 H new ATOM 0 HD21 LEU A 170 68.127 47.691 43.907 1.00 0.00 H new ATOM 0 HD22 LEU A 170 66.803 46.651 44.484 1.00 0.00 H new ATOM 0 HD23 LEU A 170 66.436 48.136 43.574 1.00 0.00 H new ATOM 322 N LEU A 171 62.630 49.320 46.240 1.00 0.00 N ATOM 323 CA LEU A 171 61.220 49.200 45.820 1.00 0.00 C ATOM 324 C LEU A 171 60.670 50.520 45.270 1.00 0.00 C ATOM 325 O LEU A 171 60.320 50.590 44.090 1.00 0.00 O ATOM 326 CB LEU A 171 60.370 48.720 47.000 1.00 0.00 C ATOM 327 CG LEU A 171 59.050 48.100 46.540 1.00 0.00 C ATOM 328 CD1 LEU A 171 59.290 46.700 45.950 1.00 0.00 C ATOM 329 CD2 LEU A 171 58.040 48.060 47.690 1.00 0.00 C ATOM 0 H LEU A 171 62.789 49.076 47.217 1.00 0.00 H new ATOM 0 HA LEU A 171 61.172 48.470 45.012 1.00 0.00 H new ATOM 0 HB2 LEU A 171 60.933 47.987 47.578 1.00 0.00 H new ATOM 0 HB3 LEU A 171 60.164 49.560 47.664 1.00 0.00 H new ATOM 0 HG LEU A 171 58.627 48.725 45.753 1.00 0.00 H new ATOM 0 HD11 LEU A 171 58.340 46.273 45.628 1.00 0.00 H new ATOM 0 HD12 LEU A 171 59.962 46.776 45.095 1.00 0.00 H new ATOM 0 HD13 LEU A 171 59.738 46.057 46.708 1.00 0.00 H new ATOM 0 HD21 LEU A 171 57.108 47.615 47.341 1.00 0.00 H new ATOM 0 HD22 LEU A 171 58.443 47.462 48.508 1.00 0.00 H new ATOM 0 HD23 LEU A 171 57.849 49.074 48.042 1.00 0.00 H new ATOM 335 N SER A 172 60.790 51.600 46.050 1.00 0.00 N ATOM 336 CA SER A 172 60.290 52.930 45.660 1.00 0.00 C ATOM 337 C SER A 172 60.990 53.510 44.420 1.00 0.00 C ATOM 338 O SER A 172 60.320 54.000 43.510 1.00 0.00 O ATOM 339 CB SER A 172 60.320 53.940 46.820 1.00 0.00 C ATOM 340 OG SER A 172 61.640 54.240 47.260 1.00 0.00 O ATOM 0 H SER A 172 61.235 51.581 46.968 1.00 0.00 H new ATOM 0 HA SER A 172 59.248 52.762 45.388 1.00 0.00 H new ATOM 0 HB2 SER A 172 59.829 54.861 46.506 1.00 0.00 H new ATOM 0 HB3 SER A 172 59.745 53.542 47.656 1.00 0.00 H new ATOM 0 HG SER A 172 62.243 53.509 47.009 1.00 0.00 H new ATOM 346 N HIS A 173 62.320 53.360 44.340 1.00 0.00 N ATOM 347 CA HIS A 173 63.090 53.730 43.140 1.00 0.00 C ATOM 348 C HIS A 173 62.760 52.900 41.890 1.00 0.00 C ATOM 349 O HIS A 173 62.510 53.480 40.840 1.00 0.00 O ATOM 350 CB HIS A 173 64.590 53.740 43.430 1.00 0.00 C ATOM 351 CG HIS A 173 64.960 54.980 44.240 1.00 0.00 C ATOM 352 ND1 HIS A 173 65.070 55.050 45.570 1.00 0.00 N ATOM 353 CD2 HIS A 173 65.140 56.210 43.750 1.00 0.00 C ATOM 354 CE1 HIS A 173 65.320 56.320 45.890 1.00 0.00 C ATOM 355 NE2 HIS A 173 65.350 57.030 44.770 1.00 0.00 N ATOM 0 H HIS A 173 62.890 52.982 45.097 1.00 0.00 H new ATOM 0 HA HIS A 173 62.774 54.744 42.894 1.00 0.00 H new ATOM 0 HB2 HIS A 173 64.868 52.841 43.980 1.00 0.00 H new ATOM 0 HB3 HIS A 173 65.149 53.727 42.494 1.00 0.00 H new ATOM 0 HD2 HIS A 173 65.118 56.487 42.706 1.00 0.00 H new ATOM 0 HE1 HIS A 173 65.472 56.704 46.888 1.00 0.00 H new ATOM 0 HE2 HIS A 173 65.508 58.036 44.705 1.00 0.00 H new ATOM 360 N LEU A 174 62.620 51.590 42.050 1.00 0.00 N ATOM 361 CA LEU A 174 62.170 50.690 40.960 1.00 0.00 C ATOM 362 C LEU A 174 60.760 51.040 40.460 1.00 0.00 C ATOM 363 O LEU A 174 60.550 51.150 39.250 1.00 0.00 O ATOM 364 CB LEU A 174 62.200 49.220 41.400 1.00 0.00 C ATOM 365 CG LEU A 174 63.630 48.690 41.580 1.00 0.00 C ATOM 366 CD1 LEU A 174 63.570 47.290 42.200 1.00 0.00 C ATOM 367 CD2 LEU A 174 64.390 48.650 40.250 1.00 0.00 C ATOM 0 H LEU A 174 62.811 51.109 42.929 1.00 0.00 H new ATOM 0 HA LEU A 174 62.872 50.836 40.139 1.00 0.00 H new ATOM 0 HB2 LEU A 174 61.656 49.114 42.338 1.00 0.00 H new ATOM 0 HB3 LEU A 174 61.681 48.612 40.659 1.00 0.00 H new ATOM 0 HG LEU A 174 64.170 49.367 42.241 1.00 0.00 H new ATOM 0 HD11 LEU A 174 64.582 46.906 42.331 1.00 0.00 H new ATOM 0 HD12 LEU A 174 63.073 47.342 43.169 1.00 0.00 H new ATOM 0 HD13 LEU A 174 63.012 46.624 41.542 1.00 0.00 H new ATOM 0 HD21 LEU A 174 65.398 48.270 40.418 1.00 0.00 H new ATOM 0 HD22 LEU A 174 63.867 47.996 39.552 1.00 0.00 H new ATOM 0 HD23 LEU A 174 64.447 49.655 39.833 1.00 0.00 H new ATOM 373 N LEU A 175 59.860 51.350 41.400 1.00 0.00 N ATOM 374 CA LEU A 175 58.520 51.900 41.100 1.00 0.00 C ATOM 375 C LEU A 175 58.600 53.160 40.230 1.00 0.00 C ATOM 376 O LEU A 175 58.070 53.180 39.130 1.00 0.00 O ATOM 377 CB LEU A 175 57.770 52.220 42.400 1.00 0.00 C ATOM 378 CG LEU A 175 57.370 50.980 43.200 1.00 0.00 C ATOM 379 CD1 LEU A 175 56.890 51.400 44.590 1.00 0.00 C ATOM 380 CD2 LEU A 175 56.270 50.200 42.490 1.00 0.00 C ATOM 0 H LEU A 175 60.035 51.228 42.397 1.00 0.00 H new ATOM 0 HA LEU A 175 57.977 51.138 40.541 1.00 0.00 H new ATOM 0 HB2 LEU A 175 58.397 52.857 43.024 1.00 0.00 H new ATOM 0 HB3 LEU A 175 56.873 52.792 42.161 1.00 0.00 H new ATOM 0 HG LEU A 175 58.243 50.333 43.290 1.00 0.00 H new ATOM 0 HD11 LEU A 175 56.605 50.515 45.159 1.00 0.00 H new ATOM 0 HD12 LEU A 175 57.693 51.923 45.110 1.00 0.00 H new ATOM 0 HD13 LEU A 175 56.029 52.062 44.493 1.00 0.00 H new ATOM 0 HD21 LEU A 175 56.006 49.324 43.082 1.00 0.00 H new ATOM 0 HD22 LEU A 175 55.392 50.835 42.371 1.00 0.00 H new ATOM 0 HD23 LEU A 175 56.624 49.882 41.509 1.00 0.00 H new ATOM 386 N ALA A 176 59.440 54.110 40.660 1.00 0.00 N ATOM 387 CA ALA A 176 59.720 55.360 39.920 1.00 0.00 C ATOM 388 C ALA A 176 60.310 55.140 38.510 1.00 0.00 C ATOM 389 O ALA A 176 59.800 55.700 37.550 1.00 0.00 O ATOM 390 CB ALA A 176 60.640 56.240 40.760 1.00 0.00 C ATOM 0 H ALA A 176 59.952 54.038 41.539 1.00 0.00 H new ATOM 0 HA ALA A 176 58.763 55.854 39.754 1.00 0.00 H new ATOM 0 HB1 ALA A 176 60.851 57.164 40.221 1.00 0.00 H new ATOM 0 HB2 ALA A 176 60.154 56.475 41.707 1.00 0.00 H new ATOM 0 HB3 ALA A 176 61.573 55.711 40.953 1.00 0.00 H new ATOM 396 N ILE A 177 61.280 54.230 38.390 1.00 0.00 N ATOM 397 CA ILE A 177 61.870 53.830 37.090 1.00 0.00 C ATOM 398 C ILE A 177 60.810 53.200 36.160 1.00 0.00 C ATOM 399 O ILE A 177 60.620 53.680 35.040 1.00 0.00 O ATOM 400 CB ILE A 177 63.070 52.880 37.310 1.00 0.00 C ATOM 401 CG1 ILE A 177 64.150 53.580 38.140 1.00 0.00 C ATOM 402 CG2 ILE A 177 63.670 52.430 35.980 1.00 0.00 C ATOM 403 CD1 ILE A 177 65.190 52.600 38.690 1.00 0.00 C ATOM 0 H ILE A 177 61.686 53.743 39.189 1.00 0.00 H new ATOM 0 HA ILE A 177 62.238 54.728 36.593 1.00 0.00 H new ATOM 0 HB ILE A 177 62.706 52.002 37.843 1.00 0.00 H new ATOM 0 HG12 ILE A 177 64.650 54.328 37.524 1.00 0.00 H new ATOM 0 HG13 ILE A 177 63.681 54.111 38.969 1.00 0.00 H new ATOM 0 HG21 ILE A 177 64.512 51.763 36.168 1.00 0.00 H new ATOM 0 HG22 ILE A 177 62.913 51.904 35.399 1.00 0.00 H new ATOM 0 HG23 ILE A 177 64.015 53.301 35.423 1.00 0.00 H new ATOM 0 HD11 ILE A 177 65.933 53.146 39.271 1.00 0.00 H new ATOM 0 HD12 ILE A 177 64.697 51.867 39.329 1.00 0.00 H new ATOM 0 HD13 ILE A 177 65.681 52.088 37.862 1.00 0.00 H new ATOM 407 N GLY A 178 60.070 52.220 36.680 1.00 0.00 N ATOM 408 CA GLY A 178 58.970 51.550 35.950 1.00 0.00 C ATOM 409 C GLY A 178 57.890 52.550 35.480 1.00 0.00 C ATOM 410 O GLY A 178 57.570 52.610 34.290 1.00 0.00 O ATOM 0 H GLY A 178 60.210 51.860 37.624 1.00 0.00 H new ATOM 0 HA2 GLY A 178 59.376 51.024 35.086 1.00 0.00 H new ATOM 0 HA3 GLY A 178 58.512 50.799 36.594 1.00 0.00 H new ATOM 414 N LEU A 179 57.500 53.420 36.410 1.00 0.00 N ATOM 415 CA LEU A 179 56.590 54.550 36.140 1.00 0.00 C ATOM 416 C LEU A 179 57.140 55.480 35.050 1.00 0.00 C ATOM 417 O LEU A 179 56.420 55.780 34.100 1.00 0.00 O ATOM 418 CB LEU A 179 56.350 55.330 37.440 1.00 0.00 C ATOM 419 CG LEU A 179 55.300 56.450 37.300 1.00 0.00 C ATOM 420 CD1 LEU A 179 53.910 55.870 37.050 1.00 0.00 C ATOM 421 CD2 LEU A 179 55.320 57.320 38.560 1.00 0.00 C ATOM 0 H LEU A 179 57.805 53.367 37.382 1.00 0.00 H new ATOM 0 HA LEU A 179 55.646 54.148 35.771 1.00 0.00 H new ATOM 0 HB2 LEU A 179 56.028 54.636 38.217 1.00 0.00 H new ATOM 0 HB3 LEU A 179 57.292 55.766 37.772 1.00 0.00 H new ATOM 0 HG LEU A 179 55.549 57.069 36.438 1.00 0.00 H new ATOM 0 HD11 LEU A 179 53.189 56.682 36.955 1.00 0.00 H new ATOM 0 HD12 LEU A 179 53.920 55.284 36.131 1.00 0.00 H new ATOM 0 HD13 LEU A 179 53.627 55.229 37.885 1.00 0.00 H new ATOM 0 HD21 LEU A 179 54.579 58.114 38.466 1.00 0.00 H new ATOM 0 HD22 LEU A 179 55.086 56.706 39.430 1.00 0.00 H new ATOM 0 HD23 LEU A 179 56.310 57.760 38.683 1.00 0.00 H new ATOM 427 N GLY A 180 58.430 55.800 35.120 1.00 0.00 N ATOM 428 CA GLY A 180 59.140 56.590 34.090 1.00 0.00 C ATOM 429 C GLY A 180 59.070 55.980 32.680 1.00 0.00 C ATOM 430 O GLY A 180 58.730 56.670 31.730 1.00 0.00 O ATOM 0 H GLY A 180 59.027 55.520 35.898 1.00 0.00 H new ATOM 0 HA2 GLY A 180 58.718 57.595 34.062 1.00 0.00 H new ATOM 0 HA3 GLY A 180 60.186 56.691 34.380 1.00 0.00 H new ATOM 434 N ILE A 181 59.290 54.670 32.590 1.00 0.00 N ATOM 435 CA ILE A 181 59.140 53.890 31.340 1.00 0.00 C ATOM 436 C ILE A 181 57.700 54.020 30.790 1.00 0.00 C ATOM 437 O ILE A 181 57.480 54.350 29.620 1.00 0.00 O ATOM 438 CB ILE A 181 59.510 52.420 31.570 1.00 0.00 C ATOM 439 CG1 ILE A 181 60.930 52.290 32.140 1.00 0.00 C ATOM 440 CG2 ILE A 181 59.410 51.620 30.270 1.00 0.00 C ATOM 441 CD1 ILE A 181 61.230 50.890 32.680 1.00 0.00 C ATOM 0 H ILE A 181 59.581 54.103 33.387 1.00 0.00 H new ATOM 0 HA ILE A 181 59.826 54.296 30.596 1.00 0.00 H new ATOM 0 HB ILE A 181 58.800 52.017 32.292 1.00 0.00 H new ATOM 0 HG12 ILE A 181 61.652 52.536 31.362 1.00 0.00 H new ATOM 0 HG13 ILE A 181 61.063 53.018 32.940 1.00 0.00 H new ATOM 0 HG21 ILE A 181 59.678 50.581 30.461 1.00 0.00 H new ATOM 0 HG22 ILE A 181 58.389 51.668 29.891 1.00 0.00 H new ATOM 0 HG23 ILE A 181 60.092 52.040 29.531 1.00 0.00 H new ATOM 0 HD11 ILE A 181 62.248 50.860 33.069 1.00 0.00 H new ATOM 0 HD12 ILE A 181 60.529 50.650 33.479 1.00 0.00 H new ATOM 0 HD13 ILE A 181 61.127 50.160 31.877 1.00 0.00 H new ATOM 445 N TYR A 182 56.730 53.850 31.690 1.00 0.00 N ATOM 446 CA TYR A 182 55.290 54.040 31.410 1.00 0.00 C ATOM 447 C TYR A 182 54.950 55.470 30.940 1.00 0.00 C ATOM 448 O TYR A 182 54.240 55.650 29.940 1.00 0.00 O ATOM 449 CB TYR A 182 54.490 53.640 32.660 1.00 0.00 C ATOM 450 CG TYR A 182 52.990 53.880 32.510 1.00 0.00 C ATOM 451 CD1 TYR A 182 52.250 53.110 31.610 1.00 0.00 C ATOM 452 CD2 TYR A 182 52.410 55.000 33.090 1.00 0.00 C ATOM 453 CE1 TYR A 182 50.960 53.480 31.270 1.00 0.00 C ATOM 454 CE2 TYR A 182 51.110 55.370 32.760 1.00 0.00 C ATOM 455 CZ TYR A 182 50.390 54.620 31.830 1.00 0.00 C ATOM 456 OH TYR A 182 49.120 54.940 31.470 1.00 0.00 O ATOM 0 H TYR A 182 56.918 53.572 32.653 1.00 0.00 H new ATOM 0 HA TYR A 182 55.012 53.397 30.575 1.00 0.00 H new ATOM 0 HB2 TYR A 182 54.664 52.585 32.874 1.00 0.00 H new ATOM 0 HB3 TYR A 182 54.859 54.204 33.517 1.00 0.00 H new ATOM 0 HD1 TYR A 182 52.686 52.222 31.177 1.00 0.00 H new ATOM 0 HD2 TYR A 182 52.971 55.588 33.802 1.00 0.00 H new ATOM 0 HE1 TYR A 182 50.395 52.883 30.569 1.00 0.00 H new ATOM 0 HE2 TYR A 182 50.660 56.236 33.223 1.00 0.00 H new ATOM 0 HH TYR A 182 48.844 55.757 31.935 1.00 0.00 H new ATOM 461 N ILE A 183 55.490 56.470 31.640 1.00 0.00 N ATOM 462 CA ILE A 183 55.390 57.900 31.270 1.00 0.00 C ATOM 463 C ILE A 183 56.000 58.170 29.880 1.00 0.00 C ATOM 464 O ILE A 183 55.340 58.770 29.040 1.00 0.00 O ATOM 465 CB ILE A 183 56.040 58.770 32.380 1.00 0.00 C ATOM 466 CG1 ILE A 183 55.290 58.640 33.710 1.00 0.00 C ATOM 467 CG2 ILE A 183 56.190 60.240 31.990 1.00 0.00 C ATOM 468 CD1 ILE A 183 53.810 59.030 33.650 1.00 0.00 C ATOM 0 H ILE A 183 56.021 56.315 32.497 1.00 0.00 H new ATOM 0 HA ILE A 183 54.338 58.175 31.195 1.00 0.00 H new ATOM 0 HB ILE A 183 57.048 58.376 32.507 1.00 0.00 H new ATOM 0 HG12 ILE A 183 55.366 57.609 34.056 1.00 0.00 H new ATOM 0 HG13 ILE A 183 55.786 59.263 34.454 1.00 0.00 H new ATOM 0 HG21 ILE A 183 56.651 60.789 32.811 1.00 0.00 H new ATOM 0 HG22 ILE A 183 56.819 60.319 31.103 1.00 0.00 H new ATOM 0 HG23 ILE A 183 55.208 60.662 31.777 1.00 0.00 H new ATOM 0 HD11 ILE A 183 53.361 58.907 34.636 1.00 0.00 H new ATOM 0 HD12 ILE A 183 53.720 60.071 33.338 1.00 0.00 H new ATOM 0 HD13 ILE A 183 53.294 58.391 32.934 1.00 0.00 H new ATOM 472 N GLY A 184 57.150 57.550 29.620 1.00 0.00 N ATOM 473 CA GLY A 184 57.790 57.510 28.280 1.00 0.00 C ATOM 474 C GLY A 184 56.820 57.020 27.200 1.00 0.00 C ATOM 475 O GLY A 184 56.590 57.720 26.210 1.00 0.00 O ATOM 0 H GLY A 184 57.680 57.051 30.334 1.00 0.00 H new ATOM 0 HA2 GLY A 184 58.151 58.505 28.020 1.00 0.00 H new ATOM 0 HA3 GLY A 184 58.660 56.854 28.312 1.00 0.00 H new ATOM 479 N ARG A 185 56.130 55.910 27.480 1.00 0.00 N ATOM 480 CA ARG A 185 55.050 55.420 26.610 1.00 0.00 C ATOM 481 C ARG A 185 53.890 56.400 26.430 1.00 0.00 C ATOM 482 O ARG A 185 53.500 56.650 25.300 1.00 0.00 O ATOM 483 CB ARG A 185 54.470 54.060 27.000 1.00 0.00 C ATOM 484 CG ARG A 185 55.000 53.000 26.030 1.00 0.00 C ATOM 485 CD ARG A 185 54.140 51.730 26.000 1.00 0.00 C ATOM 486 NE ARG A 185 52.870 51.950 25.270 1.00 0.00 N ATOM 487 CZ ARG A 185 52.580 51.440 24.060 1.00 0.00 C ATOM 488 NH1 ARG A 185 53.550 51.110 23.200 1.00 0.00 N ATOM 489 NH2 ARG A 185 51.330 51.540 23.580 1.00 0.00 N ATOM 0 H ARG A 185 56.299 55.331 28.303 1.00 0.00 H new ATOM 0 HA ARG A 185 55.575 55.310 25.661 1.00 0.00 H new ATOM 0 HB2 ARG A 185 54.751 53.809 28.023 1.00 0.00 H new ATOM 0 HB3 ARG A 185 53.381 54.091 26.967 1.00 0.00 H new ATOM 0 HG2 ARG A 185 55.046 53.424 25.027 1.00 0.00 H new ATOM 0 HG3 ARG A 185 56.019 52.735 26.312 1.00 0.00 H new ATOM 0 HD2 ARG A 185 54.698 50.923 25.526 1.00 0.00 H new ATOM 0 HD3 ARG A 185 53.924 51.412 27.020 1.00 0.00 H new ATOM 0 HE ARG A 185 52.163 52.532 25.719 1.00 0.00 H new ATOM 0 HH11 ARG A 185 54.528 51.244 23.458 1.00 0.00 H new ATOM 0 HH12 ARG A 185 53.312 50.724 22.286 1.00 0.00 H new ATOM 0 HH21 ARG A 185 50.607 52.001 24.132 1.00 0.00 H new ATOM 0 HH22 ARG A 185 51.104 51.155 22.663 1.00 0.00 H new ATOM 802 N PHE B 165 67.160 64.220 54.870 1.00 0.00 N ATOM 803 CA PHE B 165 67.180 63.700 53.490 1.00 0.00 C ATOM 804 C PHE B 165 65.800 63.500 52.850 1.00 0.00 C ATOM 805 O PHE B 165 65.710 63.330 51.630 1.00 0.00 O ATOM 806 CB PHE B 165 67.970 62.390 53.480 1.00 0.00 C ATOM 807 CG PHE B 165 68.470 62.040 52.070 1.00 0.00 C ATOM 808 CD1 PHE B 165 69.630 62.650 51.590 1.00 0.00 C ATOM 809 CD2 PHE B 165 67.790 61.130 51.290 1.00 0.00 C ATOM 810 CE1 PHE B 165 70.110 62.320 50.330 1.00 0.00 C ATOM 811 CE2 PHE B 165 68.260 60.810 50.020 1.00 0.00 C ATOM 812 CZ PHE B 165 69.420 61.400 49.540 1.00 0.00 C ATOM 0 HA PHE B 165 67.657 64.463 52.874 1.00 0.00 H new ATOM 0 HB2 PHE B 165 68.820 62.472 54.158 1.00 0.00 H new ATOM 0 HB3 PHE B 165 67.341 61.582 53.854 1.00 0.00 H new ATOM 0 HD1 PHE B 165 70.152 63.376 52.196 1.00 0.00 H new ATOM 0 HD2 PHE B 165 66.891 60.664 51.665 1.00 0.00 H new ATOM 0 HE1 PHE B 165 71.017 62.775 49.961 1.00 0.00 H new ATOM 0 HE2 PHE B 165 67.721 60.102 49.408 1.00 0.00 H new ATOM 0 HZ PHE B 165 69.788 61.148 48.557 1.00 0.00 H new ATOM 818 N LEU B 166 64.720 63.720 53.600 1.00 0.00 N ATOM 819 CA LEU B 166 63.340 63.480 53.130 1.00 0.00 C ATOM 820 C LEU B 166 62.960 64.220 51.820 1.00 0.00 C ATOM 821 O LEU B 166 62.470 63.540 50.910 1.00 0.00 O ATOM 822 CB LEU B 166 62.360 63.730 54.290 1.00 0.00 C ATOM 823 CG LEU B 166 60.930 63.260 54.000 1.00 0.00 C ATOM 824 CD1 LEU B 166 60.870 61.740 53.830 1.00 0.00 C ATOM 825 CD2 LEU B 166 60.010 63.700 55.140 1.00 0.00 C ATOM 0 H LEU B 166 64.770 64.071 54.556 1.00 0.00 H new ATOM 0 HA LEU B 166 63.272 62.434 52.833 1.00 0.00 H new ATOM 0 HB2 LEU B 166 62.727 63.220 55.181 1.00 0.00 H new ATOM 0 HB3 LEU B 166 62.344 64.796 54.517 1.00 0.00 H new ATOM 0 HG LEU B 166 60.598 63.713 53.065 1.00 0.00 H new ATOM 0 HD11 LEU B 166 59.843 61.437 53.625 1.00 0.00 H new ATOM 0 HD12 LEU B 166 61.509 61.441 52.999 1.00 0.00 H new ATOM 0 HD13 LEU B 166 61.215 61.258 54.745 1.00 0.00 H new ATOM 0 HD21 LEU B 166 58.993 63.367 54.936 1.00 0.00 H new ATOM 0 HD22 LEU B 166 60.355 63.261 56.076 1.00 0.00 H new ATOM 0 HD23 LEU B 166 60.026 64.787 55.222 1.00 0.00 H new ATOM 831 N PRO B 167 63.290 65.510 51.620 1.00 0.00 N ATOM 832 CA PRO B 167 63.090 66.190 50.330 1.00 0.00 C ATOM 833 C PRO B 167 63.950 65.610 49.190 1.00 0.00 C ATOM 834 O PRO B 167 63.410 65.240 48.150 1.00 0.00 O ATOM 835 CB PRO B 167 63.380 67.670 50.590 1.00 0.00 C ATOM 836 CG PRO B 167 64.320 67.650 51.790 1.00 0.00 C ATOM 837 CD PRO B 167 63.790 66.480 52.620 1.00 0.00 C ATOM 0 HA PRO B 167 62.070 66.041 49.976 1.00 0.00 H new ATOM 0 HB2 PRO B 167 63.844 68.145 49.726 1.00 0.00 H new ATOM 0 HB3 PRO B 167 62.467 68.225 50.806 1.00 0.00 H new ATOM 0 HG2 PRO B 167 65.356 67.495 51.489 1.00 0.00 H new ATOM 0 HG3 PRO B 167 64.286 68.587 52.345 1.00 0.00 H new ATOM 0 HD2 PRO B 167 64.575 66.044 53.237 1.00 0.00 H new ATOM 0 HD3 PRO B 167 62.995 66.800 53.294 1.00 0.00 H new ATOM 843 N SER B 168 65.240 65.420 49.450 1.00 0.00 N ATOM 844 CA SER B 168 66.200 64.790 48.510 1.00 0.00 C ATOM 845 C SER B 168 65.800 63.380 48.060 1.00 0.00 C ATOM 846 O SER B 168 66.060 62.990 46.920 1.00 0.00 O ATOM 847 CB SER B 168 67.590 64.700 49.140 1.00 0.00 C ATOM 848 OG SER B 168 68.110 66.010 49.390 1.00 0.00 O ATOM 0 H SER B 168 65.669 65.700 50.332 1.00 0.00 H new ATOM 0 HA SER B 168 66.198 65.436 47.632 1.00 0.00 H new ATOM 0 HB2 SER B 168 67.538 64.138 50.073 1.00 0.00 H new ATOM 0 HB3 SER B 168 68.262 64.155 48.477 1.00 0.00 H new ATOM 0 HG SER B 168 68.999 65.937 49.795 1.00 0.00 H new ATOM 854 N LEU B 169 65.200 62.620 48.970 1.00 0.00 N ATOM 855 CA LEU B 169 64.630 61.290 48.680 1.00 0.00 C ATOM 856 C LEU B 169 63.590 61.370 47.550 1.00 0.00 C ATOM 857 O LEU B 169 63.910 60.960 46.440 1.00 0.00 O ATOM 858 CB LEU B 169 64.020 60.720 49.970 1.00 0.00 C ATOM 859 CG LEU B 169 63.760 59.220 49.890 1.00 0.00 C ATOM 860 CD1 LEU B 169 65.070 58.440 49.790 1.00 0.00 C ATOM 861 CD2 LEU B 169 62.960 58.760 51.110 1.00 0.00 C ATOM 0 H LEU B 169 65.090 62.905 49.943 1.00 0.00 H new ATOM 0 HA LEU B 169 65.419 60.622 48.334 1.00 0.00 H new ATOM 0 HB2 LEU B 169 64.691 60.923 50.804 1.00 0.00 H new ATOM 0 HB3 LEU B 169 63.083 61.235 50.182 1.00 0.00 H new ATOM 0 HG LEU B 169 63.180 59.022 48.989 1.00 0.00 H new ATOM 0 HD11 LEU B 169 64.855 57.373 49.734 1.00 0.00 H new ATOM 0 HD12 LEU B 169 65.610 58.749 48.895 1.00 0.00 H new ATOM 0 HD13 LEU B 169 65.681 58.641 50.670 1.00 0.00 H new ATOM 0 HD21 LEU B 169 62.779 57.687 51.043 1.00 0.00 H new ATOM 0 HD22 LEU B 169 63.523 58.978 52.018 1.00 0.00 H new ATOM 0 HD23 LEU B 169 62.006 59.287 51.140 1.00 0.00 H new ATOM 867 N LEU B 170 62.580 62.220 47.750 1.00 0.00 N ATOM 868 CA LEU B 170 61.530 62.510 46.750 1.00 0.00 C ATOM 869 C LEU B 170 62.080 63.080 45.430 1.00 0.00 C ATOM 870 O LEU B 170 61.670 62.660 44.340 1.00 0.00 O ATOM 871 CB LEU B 170 60.510 63.470 47.360 1.00 0.00 C ATOM 872 CG LEU B 170 59.760 62.860 48.550 1.00 0.00 C ATOM 873 CD1 LEU B 170 58.970 63.940 49.290 1.00 0.00 C ATOM 874 CD2 LEU B 170 58.820 61.740 48.100 1.00 0.00 C ATOM 0 H LEU B 170 62.460 62.737 48.621 1.00 0.00 H new ATOM 0 HA LEU B 170 61.058 61.562 46.492 1.00 0.00 H new ATOM 0 HB2 LEU B 170 61.020 64.377 47.684 1.00 0.00 H new ATOM 0 HB3 LEU B 170 59.791 63.764 46.595 1.00 0.00 H new ATOM 0 HG LEU B 170 60.500 62.431 49.226 1.00 0.00 H new ATOM 0 HD11 LEU B 170 58.443 63.492 50.132 1.00 0.00 H new ATOM 0 HD12 LEU B 170 59.655 64.705 49.656 1.00 0.00 H new ATOM 0 HD13 LEU B 170 58.249 64.393 48.610 1.00 0.00 H new ATOM 0 HD21 LEU B 170 58.303 61.328 48.967 1.00 0.00 H new ATOM 0 HD22 LEU B 170 58.089 62.139 47.397 1.00 0.00 H new ATOM 0 HD23 LEU B 170 59.398 60.953 47.615 1.00 0.00 H new ATOM 880 N LEU B 171 63.070 63.960 45.540 1.00 0.00 N ATOM 881 CA LEU B 171 63.830 64.490 44.390 1.00 0.00 C ATOM 882 C LEU B 171 64.500 63.400 43.540 1.00 0.00 C ATOM 883 O LEU B 171 64.380 63.400 42.310 1.00 0.00 O ATOM 884 CB LEU B 171 64.880 65.500 44.860 1.00 0.00 C ATOM 885 CG LEU B 171 64.270 66.810 45.380 1.00 0.00 C ATOM 886 CD1 LEU B 171 65.340 67.650 46.050 1.00 0.00 C ATOM 887 CD2 LEU B 171 63.630 67.600 44.230 1.00 0.00 C ATOM 0 H LEU B 171 63.378 64.336 46.437 1.00 0.00 H new ATOM 0 HA LEU B 171 63.099 64.982 43.749 1.00 0.00 H new ATOM 0 HB2 LEU B 171 65.481 65.048 45.649 1.00 0.00 H new ATOM 0 HB3 LEU B 171 65.555 65.724 44.034 1.00 0.00 H new ATOM 0 HG LEU B 171 63.496 66.567 46.108 1.00 0.00 H new ATOM 0 HD11 LEU B 171 64.899 68.577 46.416 1.00 0.00 H new ATOM 0 HD12 LEU B 171 65.767 67.096 46.886 1.00 0.00 H new ATOM 0 HD13 LEU B 171 66.125 67.881 45.330 1.00 0.00 H new ATOM 0 HD21 LEU B 171 63.203 68.525 44.617 1.00 0.00 H new ATOM 0 HD22 LEU B 171 64.389 67.835 43.484 1.00 0.00 H new ATOM 0 HD23 LEU B 171 62.843 67.001 43.771 1.00 0.00 H new ATOM 893 N SER B 172 65.120 62.420 44.200 1.00 0.00 N ATOM 894 CA SER B 172 65.740 61.260 43.510 1.00 0.00 C ATOM 895 C SER B 172 64.720 60.310 42.860 1.00 0.00 C ATOM 896 O SER B 172 65.050 59.680 41.850 1.00 0.00 O ATOM 897 CB SER B 172 66.770 60.480 44.340 1.00 0.00 C ATOM 898 OG SER B 172 66.190 59.680 45.380 1.00 0.00 O ATOM 0 H SER B 172 65.212 62.396 45.216 1.00 0.00 H new ATOM 0 HA SER B 172 66.305 61.735 42.708 1.00 0.00 H new ATOM 0 HB2 SER B 172 67.344 59.834 43.675 1.00 0.00 H new ATOM 0 HB3 SER B 172 67.472 61.185 44.785 1.00 0.00 H new ATOM 0 HG SER B 172 65.401 60.135 45.741 1.00 0.00 H new ATOM 904 N HIS B 173 63.510 60.230 43.400 1.00 0.00 N ATOM 905 CA HIS B 173 62.380 59.560 42.710 1.00 0.00 C ATOM 906 C HIS B 173 62.000 60.220 41.380 1.00 0.00 C ATOM 907 O HIS B 173 61.930 59.550 40.350 1.00 0.00 O ATOM 908 CB HIS B 173 61.150 59.460 43.610 1.00 0.00 C ATOM 909 CG HIS B 173 61.400 58.500 44.770 1.00 0.00 C ATOM 910 ND1 HIS B 173 61.760 58.860 46.000 1.00 0.00 N ATOM 911 CD2 HIS B 173 61.480 57.180 44.680 1.00 0.00 C ATOM 912 CE1 HIS B 173 62.070 57.750 46.670 1.00 0.00 C ATOM 913 NE2 HIS B 173 61.910 56.720 45.850 1.00 0.00 N ATOM 0 H HIS B 173 63.271 60.616 44.313 1.00 0.00 H new ATOM 0 HA HIS B 173 62.738 58.556 42.481 1.00 0.00 H new ATOM 0 HB2 HIS B 173 60.897 60.447 43.998 1.00 0.00 H new ATOM 0 HB3 HIS B 173 60.295 59.118 43.027 1.00 0.00 H new ATOM 0 HD2 HIS B 173 61.239 56.585 43.811 1.00 0.00 H new ATOM 0 HE1 HIS B 173 62.394 57.699 47.699 1.00 0.00 H new ATOM 0 HE2 HIS B 173 62.087 55.742 46.078 1.00 0.00 H new ATOM 918 N LEU B 174 61.920 61.550 41.390 1.00 0.00 N ATOM 919 CA LEU B 174 61.720 62.370 40.160 1.00 0.00 C ATOM 920 C LEU B 174 62.830 62.130 39.120 1.00 0.00 C ATOM 921 O LEU B 174 62.560 61.790 37.970 1.00 0.00 O ATOM 922 CB LEU B 174 61.640 63.850 40.540 1.00 0.00 C ATOM 923 CG LEU B 174 60.480 64.170 41.490 1.00 0.00 C ATOM 924 CD1 LEU B 174 60.620 65.590 42.030 1.00 0.00 C ATOM 925 CD2 LEU B 174 59.130 64.010 40.780 1.00 0.00 C ATOM 0 H LEU B 174 61.990 62.105 42.243 1.00 0.00 H new ATOM 0 HA LEU B 174 60.782 62.064 39.696 1.00 0.00 H new ATOM 0 HB2 LEU B 174 62.578 64.149 41.009 1.00 0.00 H new ATOM 0 HB3 LEU B 174 61.533 64.446 39.633 1.00 0.00 H new ATOM 0 HG LEU B 174 60.516 63.466 42.321 1.00 0.00 H new ATOM 0 HD11 LEU B 174 59.791 65.807 42.704 1.00 0.00 H new ATOM 0 HD12 LEU B 174 61.561 65.682 42.572 1.00 0.00 H new ATOM 0 HD13 LEU B 174 60.608 66.297 41.201 1.00 0.00 H new ATOM 0 HD21 LEU B 174 58.323 64.243 41.475 1.00 0.00 H new ATOM 0 HD22 LEU B 174 59.083 64.690 39.929 1.00 0.00 H new ATOM 0 HD23 LEU B 174 59.022 62.983 40.430 1.00 0.00 H new ATOM 931 N LEU B 175 64.070 62.120 39.620 1.00 0.00 N ATOM 932 CA LEU B 175 65.280 61.710 38.880 1.00 0.00 C ATOM 933 C LEU B 175 65.140 60.310 38.240 1.00 0.00 C ATOM 934 O LEU B 175 65.350 60.140 37.040 1.00 0.00 O ATOM 935 CB LEU B 175 66.440 61.730 39.890 1.00 0.00 C ATOM 936 CG LEU B 175 67.770 61.170 39.370 1.00 0.00 C ATOM 937 CD1 LEU B 175 68.740 62.290 39.030 1.00 0.00 C ATOM 938 CD2 LEU B 175 68.350 60.190 40.390 1.00 0.00 C ATOM 0 H LEU B 175 64.271 62.404 40.579 1.00 0.00 H new ATOM 0 HA LEU B 175 65.454 62.396 38.051 1.00 0.00 H new ATOM 0 HB2 LEU B 175 66.600 62.758 40.215 1.00 0.00 H new ATOM 0 HB3 LEU B 175 66.144 61.160 40.770 1.00 0.00 H new ATOM 0 HG LEU B 175 67.592 60.624 38.443 1.00 0.00 H new ATOM 0 HD11 LEU B 175 69.674 61.864 38.664 1.00 0.00 H new ATOM 0 HD12 LEU B 175 68.305 62.927 38.259 1.00 0.00 H new ATOM 0 HD13 LEU B 175 68.937 62.884 39.922 1.00 0.00 H new ATOM 0 HD21 LEU B 175 69.295 59.794 40.018 1.00 0.00 H new ATOM 0 HD22 LEU B 175 68.520 60.706 41.335 1.00 0.00 H new ATOM 0 HD23 LEU B 175 67.649 59.370 40.546 1.00 0.00 H new ATOM 944 N ALA B 176 64.730 59.330 39.050 1.00 0.00 N ATOM 945 CA ALA B 176 64.480 57.940 38.620 1.00 0.00 C ATOM 946 C ALA B 176 63.380 57.810 37.550 1.00 0.00 C ATOM 947 O ALA B 176 63.540 57.030 36.600 1.00 0.00 O ATOM 948 CB ALA B 176 64.150 57.080 39.840 1.00 0.00 C ATOM 0 H ALA B 176 64.557 59.478 40.044 1.00 0.00 H new ATOM 0 HA ALA B 176 65.395 57.586 38.145 1.00 0.00 H new ATOM 0 HB1 ALA B 176 63.965 56.054 39.523 1.00 0.00 H new ATOM 0 HB2 ALA B 176 64.988 57.099 40.536 1.00 0.00 H new ATOM 0 HB3 ALA B 176 63.260 57.473 40.332 1.00 0.00 H new ATOM 954 N ILE B 177 62.320 58.610 37.650 1.00 0.00 N ATOM 955 CA ILE B 177 61.280 58.730 36.610 1.00 0.00 C ATOM 956 C ILE B 177 61.870 59.230 35.270 1.00 0.00 C ATOM 957 O ILE B 177 61.670 58.600 34.240 1.00 0.00 O ATOM 958 CB ILE B 177 60.130 59.640 37.110 1.00 0.00 C ATOM 959 CG1 ILE B 177 59.470 59.010 38.340 1.00 0.00 C ATOM 960 CG2 ILE B 177 59.080 59.890 36.030 1.00 0.00 C ATOM 961 CD1 ILE B 177 58.540 59.970 39.090 1.00 0.00 C ATOM 0 H ILE B 177 62.150 59.203 38.462 1.00 0.00 H new ATOM 0 HA ILE B 177 60.869 57.739 36.417 1.00 0.00 H new ATOM 0 HB ILE B 177 60.565 60.605 37.372 1.00 0.00 H new ATOM 0 HG12 ILE B 177 58.901 58.134 38.029 1.00 0.00 H new ATOM 0 HG13 ILE B 177 60.246 58.661 39.021 1.00 0.00 H new ATOM 0 HG21 ILE B 177 58.295 60.533 36.428 1.00 0.00 H new ATOM 0 HG22 ILE B 177 59.547 60.376 35.174 1.00 0.00 H new ATOM 0 HG23 ILE B 177 58.647 58.940 35.716 1.00 0.00 H new ATOM 0 HD11 ILE B 177 58.106 59.459 39.950 1.00 0.00 H new ATOM 0 HD12 ILE B 177 59.108 60.835 39.431 1.00 0.00 H new ATOM 0 HD13 ILE B 177 57.743 60.299 38.424 1.00 0.00 H new ATOM 965 N GLY B 178 62.720 60.260 35.350 1.00 0.00 N ATOM 966 CA GLY B 178 63.490 60.770 34.190 1.00 0.00 C ATOM 967 C GLY B 178 64.360 59.680 33.530 1.00 0.00 C ATOM 968 O GLY B 178 64.250 59.410 32.330 1.00 0.00 O ATOM 0 H GLY B 178 62.899 60.769 36.216 1.00 0.00 H new ATOM 0 HA2 GLY B 178 62.800 61.176 33.451 1.00 0.00 H new ATOM 0 HA3 GLY B 178 64.128 61.592 34.515 1.00 0.00 H new ATOM 972 N LEU B 179 65.110 58.970 34.370 1.00 0.00 N ATOM 973 CA LEU B 179 65.900 57.780 33.980 1.00 0.00 C ATOM 974 C LEU B 179 65.040 56.670 33.330 1.00 0.00 C ATOM 975 O LEU B 179 65.420 56.120 32.290 1.00 0.00 O ATOM 976 CB LEU B 179 66.640 57.220 35.200 1.00 0.00 C ATOM 977 CG LEU B 179 67.750 58.150 35.690 1.00 0.00 C ATOM 978 CD1 LEU B 179 68.230 57.700 37.070 1.00 0.00 C ATOM 979 CD2 LEU B 179 68.930 58.150 34.710 1.00 0.00 C ATOM 0 H LEU B 179 65.194 59.201 35.360 1.00 0.00 H new ATOM 0 HA LEU B 179 66.615 58.109 33.226 1.00 0.00 H new ATOM 0 HB2 LEU B 179 65.927 57.053 36.008 1.00 0.00 H new ATOM 0 HB3 LEU B 179 67.068 56.250 34.947 1.00 0.00 H new ATOM 0 HG LEU B 179 67.350 59.162 35.754 1.00 0.00 H new ATOM 0 HD11 LEU B 179 69.021 58.366 37.415 1.00 0.00 H new ATOM 0 HD12 LEU B 179 67.397 57.731 37.773 1.00 0.00 H new ATOM 0 HD13 LEU B 179 68.614 56.682 37.007 1.00 0.00 H new ATOM 0 HD21 LEU B 179 69.709 58.818 35.078 1.00 0.00 H new ATOM 0 HD22 LEU B 179 69.330 57.140 34.623 1.00 0.00 H new ATOM 0 HD23 LEU B 179 68.591 58.492 33.732 1.00 0.00 H new ATOM 985 N GLY B 180 63.860 56.450 33.900 1.00 0.00 N ATOM 986 CA GLY B 180 62.820 55.550 33.370 1.00 0.00 C ATOM 987 C GLY B 180 62.420 55.890 31.930 1.00 0.00 C ATOM 988 O GLY B 180 62.450 55.030 31.050 1.00 0.00 O ATOM 0 H GLY B 180 63.584 56.903 34.771 1.00 0.00 H new ATOM 0 HA2 GLY B 180 63.181 54.522 33.409 1.00 0.00 H new ATOM 0 HA3 GLY B 180 61.939 55.603 34.010 1.00 0.00 H new ATOM 992 N ILE B 181 62.180 57.180 31.670 1.00 0.00 N ATOM 993 CA ILE B 181 61.900 57.700 30.310 1.00 0.00 C ATOM 994 C ILE B 181 63.070 57.410 29.340 1.00 0.00 C ATOM 995 O ILE B 181 62.840 56.930 28.230 1.00 0.00 O ATOM 996 CB ILE B 181 61.580 59.200 30.370 1.00 0.00 C ATOM 997 CG1 ILE B 181 60.420 59.480 31.340 1.00 0.00 C ATOM 998 CG2 ILE B 181 61.220 59.740 28.980 1.00 0.00 C ATOM 999 CD1 ILE B 181 60.270 60.960 31.680 1.00 0.00 C ATOM 0 H ILE B 181 62.172 57.901 32.392 1.00 0.00 H new ATOM 0 HA ILE B 181 61.026 57.179 29.919 1.00 0.00 H new ATOM 0 HB ILE B 181 62.475 59.708 30.730 1.00 0.00 H new ATOM 0 HG12 ILE B 181 59.491 59.118 30.900 1.00 0.00 H new ATOM 0 HG13 ILE B 181 60.578 58.916 32.259 1.00 0.00 H new ATOM 0 HG21 ILE B 181 60.998 60.805 29.050 1.00 0.00 H new ATOM 0 HG22 ILE B 181 62.060 59.588 28.302 1.00 0.00 H new ATOM 0 HG23 ILE B 181 60.346 59.211 28.599 1.00 0.00 H new ATOM 0 HD11 ILE B 181 59.435 61.092 32.368 1.00 0.00 H new ATOM 0 HD12 ILE B 181 61.186 61.321 32.148 1.00 0.00 H new ATOM 0 HD13 ILE B 181 60.082 61.526 30.768 1.00 0.00 H new ATOM 1003 N TYR B 182 64.300 57.600 29.810 1.00 0.00 N ATOM 1004 CA TYR B 182 65.510 57.300 29.010 1.00 0.00 C ATOM 1005 C TYR B 182 65.670 55.810 28.660 1.00 0.00 C ATOM 1006 O TYR B 182 65.850 55.480 27.480 1.00 0.00 O ATOM 1007 CB TYR B 182 66.780 57.870 29.660 1.00 0.00 C ATOM 1008 CG TYR B 182 68.000 57.720 28.740 1.00 0.00 C ATOM 1009 CD1 TYR B 182 68.010 58.320 27.490 1.00 0.00 C ATOM 1010 CD2 TYR B 182 69.030 56.850 29.090 1.00 0.00 C ATOM 1011 CE1 TYR B 182 69.020 58.040 26.580 1.00 0.00 C ATOM 1012 CE2 TYR B 182 70.050 56.570 28.190 1.00 0.00 C ATOM 1013 CZ TYR B 182 70.040 57.160 26.930 1.00 0.00 C ATOM 1014 OH TYR B 182 70.990 56.810 26.010 1.00 0.00 O ATOM 0 H TYR B 182 64.498 57.961 30.743 1.00 0.00 H new ATOM 0 HA TYR B 182 65.363 57.811 28.058 1.00 0.00 H new ATOM 0 HB2 TYR B 182 66.628 58.923 29.895 1.00 0.00 H new ATOM 0 HB3 TYR B 182 66.969 57.357 30.603 1.00 0.00 H new ATOM 0 HD1 TYR B 182 67.225 59.011 27.222 1.00 0.00 H new ATOM 0 HD2 TYR B 182 69.035 56.390 30.067 1.00 0.00 H new ATOM 0 HE1 TYR B 182 69.014 58.503 25.604 1.00 0.00 H new ATOM 0 HE2 TYR B 182 70.848 55.897 28.467 1.00 0.00 H new ATOM 0 HH TYR B 182 71.628 56.189 26.419 1.00 0.00 H new ATOM 1019 N ILE B 183 65.570 54.920 29.650 1.00 0.00 N ATOM 1020 CA ILE B 183 65.570 53.460 29.380 1.00 0.00 C ATOM 1021 C ILE B 183 64.350 53.030 28.520 1.00 0.00 C ATOM 1022 O ILE B 183 64.510 52.240 27.590 1.00 0.00 O ATOM 1023 CB ILE B 183 65.780 52.630 30.660 1.00 0.00 C ATOM 1024 CG1 ILE B 183 65.910 51.130 30.360 1.00 0.00 C ATOM 1025 CG2 ILE B 183 64.700 52.850 31.710 1.00 0.00 C ATOM 1026 CD1 ILE B 183 67.200 50.790 29.610 1.00 0.00 C ATOM 0 H ILE B 183 65.489 55.168 30.636 1.00 0.00 H new ATOM 0 HA ILE B 183 66.441 53.235 28.764 1.00 0.00 H new ATOM 0 HB ILE B 183 66.720 52.993 31.076 1.00 0.00 H new ATOM 0 HG12 ILE B 183 65.880 50.572 31.296 1.00 0.00 H new ATOM 0 HG13 ILE B 183 65.054 50.806 29.768 1.00 0.00 H new ATOM 0 HG21 ILE B 183 64.912 52.234 32.584 1.00 0.00 H new ATOM 0 HG22 ILE B 183 64.684 53.900 32.001 1.00 0.00 H new ATOM 0 HG23 ILE B 183 63.730 52.573 31.297 1.00 0.00 H new ATOM 0 HD11 ILE B 183 67.241 49.717 29.424 1.00 0.00 H new ATOM 0 HD12 ILE B 183 67.220 51.324 28.660 1.00 0.00 H new ATOM 0 HD13 ILE B 183 68.059 51.087 30.211 1.00 0.00 H new