USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 79 THR OG1 : rot 180:sc= 0.015 USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -1.05 K(o=-1.7,f=-2.5) USER MOD Set 2.2: A 66 THR OG1 : rot 130:sc= -0.676 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 41:sc= 0.6 USER MOD Single : A 24 THR OG1 : rot 53:sc= 1.04 USER MOD Single : A 26 SER OG : rot 96:sc= 1.28 USER MOD Single : A 27 ASN : amide:sc= -0.409 K(o=-0.41,f=-1.7!) USER MOD Single : A 30 SER OG : rot 18:sc= 0.151 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 150:sc= -0.268 USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0524) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.552) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 130:sc= -1.1 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -87:sc= 1.35 USER MOD Single : A 69 ASN : amide:sc= -1.78 K(o=-1.8,f=-7.9!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.13) USER MOD Single : A 83 THR OG1 : rot 84:sc= 0.577! USER MOD Single : A 88 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00379) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0236 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 12.288 8.825 -9.928 1.00 50.42 N ATOM 169 CA HIS A 12 11.257 9.532 -9.176 1.00 70.30 C ATOM 170 C HIS A 12 11.862 10.673 -8.364 1.00 25.52 C ATOM 171 O HIS A 12 12.962 10.548 -7.823 1.00 55.32 O ATOM 172 CB HIS A 12 10.520 8.565 -8.249 1.00 21.14 C ATOM 173 CG HIS A 12 9.330 7.914 -8.885 1.00 5.23 C ATOM 174 ND1 HIS A 12 9.317 7.488 -10.196 1.00 24.30 N ATOM 175 CD2 HIS A 12 8.110 7.616 -8.382 1.00 12.25 C ATOM 176 CE1 HIS A 12 8.140 6.957 -10.472 1.00 54.13 C ATOM 177 NE2 HIS A 12 7.388 7.022 -9.388 1.00 4.32 N ATOM 0 HA HIS A 12 10.547 9.954 -9.888 1.00 70.30 H new ATOM 0 HB2 HIS A 12 11.214 7.792 -7.919 1.00 21.14 H new ATOM 0 HB3 HIS A 12 10.196 9.104 -7.359 1.00 21.14 H new ATOM 0 HD2 HIS A 12 7.767 7.809 -7.376 1.00 12.25 H new ATOM 0 HE1 HIS A 12 7.843 6.540 -11.423 1.00 54.13 H new ATOM 0 HE2 HIS A 12 6.428 6.686 -9.311 1.00 4.32 H new ATOM 185 N VAL A 13 11.138 11.784 -8.283 1.00 4.32 N ATOM 186 CA VAL A 13 11.604 12.947 -7.537 1.00 12.24 C ATOM 187 C VAL A 13 10.698 13.233 -6.344 1.00 3.31 C ATOM 188 O VAL A 13 9.474 13.265 -6.475 1.00 23.13 O ATOM 189 CB VAL A 13 11.667 14.199 -8.431 1.00 43.50 C ATOM 190 CG1 VAL A 13 10.305 14.489 -9.043 1.00 20.43 C ATOM 191 CG2 VAL A 13 12.169 15.396 -7.637 1.00 22.01 C ATOM 0 H VAL A 13 10.226 11.904 -8.725 1.00 4.32 H new ATOM 0 HA VAL A 13 12.607 12.714 -7.181 1.00 12.24 H new ATOM 0 HB VAL A 13 12.370 14.009 -9.242 1.00 43.50 H new ATOM 0 HG11 VAL A 13 10.370 15.377 -9.671 1.00 20.43 H new ATOM 0 HG12 VAL A 13 9.990 13.639 -9.648 1.00 20.43 H new ATOM 0 HG13 VAL A 13 9.578 14.659 -8.249 1.00 20.43 H new ATOM 0 HG21 VAL A 13 12.207 16.272 -8.285 1.00 22.01 H new ATOM 0 HG22 VAL A 13 11.493 15.590 -6.804 1.00 22.01 H new ATOM 0 HG23 VAL A 13 13.167 15.185 -7.253 1.00 22.01 H new ATOM 201 N ILE A 14 11.308 13.442 -5.182 1.00 31.42 N ATOM 202 CA ILE A 14 10.556 13.727 -3.966 1.00 24.11 C ATOM 203 C ILE A 14 11.075 14.987 -3.282 1.00 42.31 C ATOM 204 O ILE A 14 12.235 15.364 -3.448 1.00 5.45 O ATOM 205 CB ILE A 14 10.626 12.552 -2.973 1.00 33.14 C ATOM 206 CG1 ILE A 14 10.431 11.223 -3.706 1.00 55.40 C ATOM 207 CG2 ILE A 14 9.579 12.719 -1.881 1.00 4.12 C ATOM 208 CD1 ILE A 14 9.150 11.158 -4.508 1.00 14.31 C ATOM 0 H ILE A 14 12.320 13.419 -5.057 1.00 31.42 H new ATOM 0 HA ILE A 14 9.519 13.879 -4.264 1.00 24.11 H new ATOM 0 HB ILE A 14 11.612 12.547 -2.508 1.00 33.14 H new ATOM 0 HG12 ILE A 14 11.277 11.058 -4.373 1.00 55.40 H new ATOM 0 HG13 ILE A 14 10.436 10.412 -2.978 1.00 55.40 H new ATOM 0 HG21 ILE A 14 9.641 11.881 -1.187 1.00 4.12 H new ATOM 0 HG22 ILE A 14 9.759 13.650 -1.343 1.00 4.12 H new ATOM 0 HG23 ILE A 14 8.586 12.746 -2.330 1.00 4.12 H new ATOM 0 HD11 ILE A 14 9.078 10.188 -5.001 1.00 14.31 H new ATOM 0 HD12 ILE A 14 8.297 11.291 -3.843 1.00 14.31 H new ATOM 0 HD13 ILE A 14 9.151 11.947 -5.260 1.00 14.31 H new ATOM 220 N LYS A 15 10.208 15.635 -2.511 1.00 62.12 N ATOM 221 CA LYS A 15 10.578 16.852 -1.798 1.00 71.12 C ATOM 222 C LYS A 15 9.481 17.265 -0.822 1.00 51.44 C ATOM 223 O LYS A 15 8.994 18.395 -0.864 1.00 12.14 O ATOM 224 CB LYS A 15 10.847 17.986 -2.789 1.00 45.35 C ATOM 225 CG LYS A 15 9.803 18.096 -3.887 1.00 63.00 C ATOM 226 CD LYS A 15 9.548 19.544 -4.271 1.00 33.21 C ATOM 227 CE LYS A 15 10.396 19.963 -5.462 1.00 31.31 C ATOM 228 NZ LYS A 15 11.579 20.765 -5.045 1.00 42.14 N ATOM 0 H LYS A 15 9.244 15.337 -2.364 1.00 62.12 H new ATOM 0 HA LYS A 15 11.487 16.650 -1.231 1.00 71.12 H new ATOM 0 HB2 LYS A 15 10.891 18.930 -2.245 1.00 45.35 H new ATOM 0 HB3 LYS A 15 11.826 17.835 -3.244 1.00 45.35 H new ATOM 0 HG2 LYS A 15 10.135 17.539 -4.763 1.00 63.00 H new ATOM 0 HG3 LYS A 15 8.872 17.638 -3.552 1.00 63.00 H new ATOM 0 HD2 LYS A 15 8.493 19.678 -4.509 1.00 33.21 H new ATOM 0 HD3 LYS A 15 9.767 20.191 -3.421 1.00 33.21 H new ATOM 0 HE2 LYS A 15 10.730 19.076 -6.000 1.00 31.31 H new ATOM 0 HE3 LYS A 15 9.788 20.546 -6.154 1.00 31.31 H new ATOM 0 HZ1 LYS A 15 12.131 21.031 -5.885 1.00 42.14 H new ATOM 0 HZ2 LYS A 15 11.260 21.624 -4.554 1.00 42.14 H new ATOM 0 HZ3 LYS A 15 12.173 20.200 -4.405 1.00 42.14 H new ATOM 242 N SER A 16 9.098 16.344 0.055 1.00 33.34 N ATOM 243 CA SER A 16 8.057 16.612 1.040 1.00 15.24 C ATOM 244 C SER A 16 8.089 15.578 2.161 1.00 21.41 C ATOM 245 O SER A 16 8.550 14.452 1.969 1.00 25.45 O ATOM 246 CB SER A 16 6.680 16.613 0.372 1.00 45.33 C ATOM 247 OG SER A 16 6.301 17.924 -0.011 1.00 74.44 O ATOM 0 H SER A 16 9.493 15.405 0.104 1.00 33.34 H new ATOM 0 HA SER A 16 8.245 17.595 1.471 1.00 15.24 H new ATOM 0 HB2 SER A 16 6.697 15.965 -0.504 1.00 45.33 H new ATOM 0 HB3 SER A 16 5.939 16.202 1.058 1.00 45.33 H new ATOM 0 HG SER A 16 7.078 18.395 -0.378 1.00 74.44 H new ATOM 253 N LEU A 17 7.596 15.967 3.332 1.00 44.14 N ATOM 254 CA LEU A 17 7.568 15.075 4.485 1.00 22.52 C ATOM 255 C LEU A 17 6.627 13.899 4.241 1.00 0.23 C ATOM 256 O LEU A 17 7.028 12.740 4.342 1.00 13.24 O ATOM 257 CB LEU A 17 7.134 15.840 5.736 1.00 34.44 C ATOM 258 CG LEU A 17 7.807 15.424 7.045 1.00 52.21 C ATOM 259 CD1 LEU A 17 9.252 15.897 7.075 1.00 21.50 C ATOM 260 CD2 LEU A 17 7.039 15.974 8.238 1.00 40.51 C ATOM 0 H LEU A 17 7.210 16.895 3.508 1.00 44.14 H new ATOM 0 HA LEU A 17 8.575 14.685 4.637 1.00 22.52 H new ATOM 0 HB2 LEU A 17 7.326 16.901 5.573 1.00 34.44 H new ATOM 0 HB3 LEU A 17 6.056 15.725 5.852 1.00 34.44 H new ATOM 0 HG LEU A 17 7.801 14.336 7.105 1.00 52.21 H new ATOM 0 HD11 LEU A 17 9.715 15.592 8.013 1.00 21.50 H new ATOM 0 HD12 LEU A 17 9.797 15.455 6.241 1.00 21.50 H new ATOM 0 HD13 LEU A 17 9.281 16.983 6.992 1.00 21.50 H new ATOM 0 HD21 LEU A 17 7.532 15.668 9.161 1.00 40.51 H new ATOM 0 HD22 LEU A 17 7.013 17.062 8.184 1.00 40.51 H new ATOM 0 HD23 LEU A 17 6.020 15.586 8.225 1.00 40.51 H new ATOM 272 N GLU A 18 5.375 14.208 3.918 1.00 71.51 N ATOM 273 CA GLU A 18 4.378 13.176 3.658 1.00 33.12 C ATOM 274 C GLU A 18 4.859 12.214 2.576 1.00 61.11 C ATOM 275 O GLU A 18 4.761 10.997 2.725 1.00 32.54 O ATOM 276 CB GLU A 18 3.051 13.812 3.237 1.00 22.13 C ATOM 277 CG GLU A 18 1.935 13.620 4.251 1.00 65.13 C ATOM 278 CD GLU A 18 1.390 12.205 4.257 1.00 51.13 C ATOM 279 OE1 GLU A 18 0.307 11.985 3.674 1.00 64.10 O ATOM 280 OE2 GLU A 18 2.045 11.319 4.844 1.00 74.42 O ATOM 0 H GLU A 18 5.027 15.163 3.830 1.00 71.51 H new ATOM 0 HA GLU A 18 4.227 12.613 4.579 1.00 33.12 H new ATOM 0 HB2 GLU A 18 3.204 14.879 3.076 1.00 22.13 H new ATOM 0 HB3 GLU A 18 2.741 13.387 2.283 1.00 22.13 H new ATOM 0 HG2 GLU A 18 2.306 13.867 5.246 1.00 65.13 H new ATOM 0 HG3 GLU A 18 1.126 14.316 4.031 1.00 65.13 H new ATOM 287 N GLU A 19 5.379 12.771 1.486 1.00 21.53 N ATOM 288 CA GLU A 19 5.874 11.962 0.378 1.00 3.04 C ATOM 289 C GLU A 19 6.998 11.038 0.839 1.00 41.00 C ATOM 290 O GLU A 19 7.118 9.906 0.369 1.00 21.32 O ATOM 291 CB GLU A 19 6.371 12.861 -0.756 1.00 31.11 C ATOM 292 CG GLU A 19 6.440 12.160 -2.102 1.00 62.31 C ATOM 293 CD GLU A 19 5.075 11.745 -2.615 1.00 32.43 C ATOM 294 OE1 GLU A 19 4.860 10.530 -2.811 1.00 15.13 O ATOM 295 OE2 GLU A 19 4.222 12.633 -2.820 1.00 42.41 O ATOM 0 H GLU A 19 5.468 13.778 1.347 1.00 21.53 H new ATOM 0 HA GLU A 19 5.050 11.349 0.012 1.00 3.04 H new ATOM 0 HB2 GLU A 19 5.712 13.725 -0.839 1.00 31.11 H new ATOM 0 HB3 GLU A 19 7.361 13.239 -0.501 1.00 31.11 H new ATOM 0 HG2 GLU A 19 6.911 12.822 -2.828 1.00 62.31 H new ATOM 0 HG3 GLU A 19 7.075 11.278 -2.016 1.00 62.31 H new ATOM 302 N LEU A 20 7.819 11.529 1.760 1.00 4.14 N ATOM 303 CA LEU A 20 8.935 10.749 2.285 1.00 34.32 C ATOM 304 C LEU A 20 8.432 9.560 3.099 1.00 4.51 C ATOM 305 O LEU A 20 8.658 8.406 2.735 1.00 4.32 O ATOM 306 CB LEU A 20 9.836 11.630 3.151 1.00 25.02 C ATOM 307 CG LEU A 20 11.336 11.339 3.072 1.00 55.14 C ATOM 308 CD1 LEU A 20 11.935 11.965 1.822 1.00 61.31 C ATOM 309 CD2 LEU A 20 12.045 11.848 4.318 1.00 14.50 C ATOM 0 H LEU A 20 7.733 12.464 2.159 1.00 4.14 H new ATOM 0 HA LEU A 20 9.511 10.371 1.441 1.00 34.32 H new ATOM 0 HB2 LEU A 20 9.673 12.670 2.869 1.00 25.02 H new ATOM 0 HB3 LEU A 20 9.521 11.528 4.189 1.00 25.02 H new ATOM 0 HG LEU A 20 11.475 10.259 3.016 1.00 55.14 H new ATOM 0 HD11 LEU A 20 13.002 11.748 1.782 1.00 61.31 H new ATOM 0 HD12 LEU A 20 11.448 11.552 0.939 1.00 61.31 H new ATOM 0 HD13 LEU A 20 11.785 13.044 1.848 1.00 61.31 H new ATOM 0 HD21 LEU A 20 13.111 11.632 4.244 1.00 14.50 H new ATOM 0 HD22 LEU A 20 11.898 12.924 4.406 1.00 14.50 H new ATOM 0 HD23 LEU A 20 11.635 11.353 5.198 1.00 14.50 H new ATOM 321 N ARG A 21 7.749 9.851 4.201 1.00 55.31 N ATOM 322 CA ARG A 21 7.213 8.807 5.066 1.00 62.22 C ATOM 323 C ARG A 21 6.364 7.822 4.267 1.00 21.14 C ATOM 324 O ARG A 21 6.253 6.651 4.627 1.00 32.43 O ATOM 325 CB ARG A 21 6.377 9.424 6.189 1.00 63.42 C ATOM 326 CG ARG A 21 5.846 8.404 7.183 1.00 55.03 C ATOM 327 CD ARG A 21 6.359 8.675 8.588 1.00 43.40 C ATOM 328 NE ARG A 21 7.805 8.496 8.686 1.00 4.11 N ATOM 329 CZ ARG A 21 8.509 8.779 9.777 1.00 53.42 C ATOM 330 NH1 ARG A 21 7.902 9.252 10.857 1.00 51.43 N ATOM 331 NH2 ARG A 21 9.822 8.589 9.789 1.00 11.20 N ATOM 0 H ARG A 21 7.554 10.801 4.516 1.00 55.31 H new ATOM 0 HA ARG A 21 8.052 8.266 5.503 1.00 62.22 H new ATOM 0 HB2 ARG A 21 6.983 10.156 6.722 1.00 63.42 H new ATOM 0 HB3 ARG A 21 5.537 9.964 5.751 1.00 63.42 H new ATOM 0 HG2 ARG A 21 4.756 8.427 7.182 1.00 55.03 H new ATOM 0 HG3 ARG A 21 6.144 7.403 6.873 1.00 55.03 H new ATOM 0 HD2 ARG A 21 6.099 9.693 8.879 1.00 43.40 H new ATOM 0 HD3 ARG A 21 5.862 8.006 9.291 1.00 43.40 H new ATOM 0 HE ARG A 21 8.302 8.134 7.872 1.00 4.11 H new ATOM 0 HH11 ARG A 21 6.893 9.399 10.851 1.00 51.43 H new ATOM 0 HH12 ARG A 21 8.444 9.468 11.693 1.00 51.43 H new ATOM 0 HH21 ARG A 21 10.292 8.225 8.960 1.00 11.20 H new ATOM 0 HH22 ARG A 21 10.361 8.807 10.627 1.00 11.20 H new ATOM 345 N GLU A 22 5.767 8.307 3.183 1.00 64.42 N ATOM 346 CA GLU A 22 4.928 7.469 2.335 1.00 34.40 C ATOM 347 C GLU A 22 5.775 6.669 1.350 1.00 43.24 C ATOM 348 O GLU A 22 5.404 5.567 0.946 1.00 12.45 O ATOM 349 CB GLU A 22 3.915 8.327 1.574 1.00 1.22 C ATOM 350 CG GLU A 22 2.787 8.853 2.445 1.00 35.02 C ATOM 351 CD GLU A 22 1.678 7.837 2.639 1.00 15.21 C ATOM 352 OE1 GLU A 22 0.790 8.082 3.484 1.00 45.25 O ATOM 353 OE2 GLU A 22 1.697 6.798 1.947 1.00 34.25 O ATOM 0 H GLU A 22 5.849 9.275 2.872 1.00 64.42 H new ATOM 0 HA GLU A 22 4.392 6.770 2.977 1.00 34.40 H new ATOM 0 HB2 GLU A 22 4.435 9.170 1.119 1.00 1.22 H new ATOM 0 HB3 GLU A 22 3.491 7.738 0.761 1.00 1.22 H new ATOM 0 HG2 GLU A 22 3.187 9.139 3.418 1.00 35.02 H new ATOM 0 HG3 GLU A 22 2.374 9.755 1.993 1.00 35.02 H new ATOM 360 N ALA A 23 6.916 7.233 0.966 1.00 53.32 N ATOM 361 CA ALA A 23 7.817 6.574 0.029 1.00 21.43 C ATOM 362 C ALA A 23 8.527 5.396 0.688 1.00 24.01 C ATOM 363 O ALA A 23 8.970 4.467 0.012 1.00 70.41 O ATOM 364 CB ALA A 23 8.832 7.568 -0.515 1.00 25.51 C ATOM 0 H ALA A 23 7.238 8.145 1.290 1.00 53.32 H new ATOM 0 HA ALA A 23 7.223 6.189 -0.800 1.00 21.43 H new ATOM 0 HB1 ALA A 23 9.498 7.062 -1.214 1.00 25.51 H new ATOM 0 HB2 ALA A 23 8.311 8.375 -1.030 1.00 25.51 H new ATOM 0 HB3 ALA A 23 9.415 7.980 0.309 1.00 25.51 H new ATOM 370 N THR A 24 8.634 5.441 2.013 1.00 62.25 N ATOM 371 CA THR A 24 9.293 4.379 2.763 1.00 75.45 C ATOM 372 C THR A 24 8.445 3.112 2.781 1.00 33.12 C ATOM 373 O THR A 24 8.935 2.030 3.103 1.00 2.22 O ATOM 374 CB THR A 24 9.581 4.811 4.213 1.00 65.25 C ATOM 375 OG1 THR A 24 8.745 5.917 4.570 1.00 62.20 O ATOM 376 CG2 THR A 24 11.043 5.198 4.381 1.00 51.34 C ATOM 0 H THR A 24 8.273 6.202 2.588 1.00 62.25 H new ATOM 0 HA THR A 24 10.237 4.174 2.259 1.00 75.45 H new ATOM 0 HB THR A 24 9.367 3.968 4.870 1.00 65.25 H new ATOM 0 HG1 THR A 24 7.808 5.690 4.392 1.00 62.20 H new ATOM 0 HG21 THR A 24 11.223 5.500 5.413 1.00 51.34 H new ATOM 0 HG22 THR A 24 11.676 4.345 4.137 1.00 51.34 H new ATOM 0 HG23 THR A 24 11.279 6.027 3.714 1.00 51.34 H new ATOM 384 N ALA A 25 7.170 3.253 2.433 1.00 11.52 N ATOM 385 CA ALA A 25 6.255 2.119 2.407 1.00 14.45 C ATOM 386 C ALA A 25 6.498 1.245 1.182 1.00 50.21 C ATOM 387 O ALA A 25 6.189 0.054 1.186 1.00 33.33 O ATOM 388 CB ALA A 25 4.813 2.604 2.434 1.00 13.24 C ATOM 0 H ALA A 25 6.748 4.142 2.165 1.00 11.52 H new ATOM 0 HA ALA A 25 6.440 1.514 3.295 1.00 14.45 H new ATOM 0 HB1 ALA A 25 4.140 1.747 2.414 1.00 13.24 H new ATOM 0 HB2 ALA A 25 4.640 3.180 3.343 1.00 13.24 H new ATOM 0 HB3 ALA A 25 4.624 3.233 1.564 1.00 13.24 H new ATOM 394 N SER A 26 7.053 1.845 0.134 1.00 62.03 N ATOM 395 CA SER A 26 7.334 1.122 -1.101 1.00 32.51 C ATOM 396 C SER A 26 8.378 0.033 -0.868 1.00 14.53 C ATOM 397 O SER A 26 9.439 0.288 -0.301 1.00 22.03 O ATOM 398 CB SER A 26 7.820 2.087 -2.183 1.00 41.04 C ATOM 399 OG SER A 26 7.403 3.413 -1.909 1.00 13.11 O ATOM 0 H SER A 26 7.317 2.830 0.115 1.00 62.03 H new ATOM 0 HA SER A 26 6.410 0.650 -1.434 1.00 32.51 H new ATOM 0 HB2 SER A 26 8.908 2.050 -2.246 1.00 41.04 H new ATOM 0 HB3 SER A 26 7.434 1.774 -3.153 1.00 41.04 H new ATOM 0 HG SER A 26 8.124 3.895 -1.454 1.00 13.11 H new ATOM 405 N ASN A 27 8.066 -1.181 -1.310 1.00 4.31 N ATOM 406 CA ASN A 27 8.976 -2.309 -1.149 1.00 64.05 C ATOM 407 C ASN A 27 9.736 -2.584 -2.444 1.00 1.52 C ATOM 408 O ASN A 27 9.953 -3.737 -2.815 1.00 41.04 O ATOM 409 CB ASN A 27 8.203 -3.559 -0.724 1.00 54.43 C ATOM 410 CG ASN A 27 7.368 -4.134 -1.852 1.00 41.44 C ATOM 411 OD1 ASN A 27 6.424 -3.501 -2.325 1.00 74.23 O ATOM 412 ND2 ASN A 27 7.714 -5.339 -2.289 1.00 30.10 N ATOM 0 H ASN A 27 7.191 -1.409 -1.782 1.00 4.31 H new ATOM 0 HA ASN A 27 9.697 -2.054 -0.372 1.00 64.05 H new ATOM 0 HB2 ASN A 27 8.905 -4.315 -0.373 1.00 54.43 H new ATOM 0 HB3 ASN A 27 7.554 -3.313 0.116 1.00 54.43 H new ATOM 0 HD21 ASN A 27 7.190 -5.777 -3.047 1.00 30.10 H new ATOM 0 HD22 ASN A 27 8.504 -5.827 -1.867 1.00 30.10 H new ATOM 419 N ARG A 28 10.138 -1.516 -3.125 1.00 42.33 N ATOM 420 CA ARG A 28 10.873 -1.641 -4.378 1.00 61.21 C ATOM 421 C ARG A 28 12.315 -1.172 -4.212 1.00 4.42 C ATOM 422 O ARG A 28 12.968 -0.784 -5.181 1.00 51.14 O ATOM 423 CB ARG A 28 10.186 -0.833 -5.480 1.00 42.32 C ATOM 424 CG ARG A 28 9.028 -1.564 -6.140 1.00 43.41 C ATOM 425 CD ARG A 28 9.491 -2.366 -7.346 1.00 51.12 C ATOM 426 NE ARG A 28 8.655 -2.123 -8.519 1.00 35.24 N ATOM 427 CZ ARG A 28 8.636 -0.973 -9.183 1.00 10.24 C ATOM 428 NH1 ARG A 28 9.404 0.035 -8.792 1.00 24.53 N ATOM 429 NH2 ARG A 28 7.848 -0.829 -10.240 1.00 51.53 N ATOM 0 H ARG A 28 9.967 -0.555 -2.830 1.00 42.33 H new ATOM 0 HA ARG A 28 10.882 -2.694 -4.661 1.00 61.21 H new ATOM 0 HB2 ARG A 28 9.820 0.103 -5.058 1.00 42.32 H new ATOM 0 HB3 ARG A 28 10.922 -0.574 -6.241 1.00 42.32 H new ATOM 0 HG2 ARG A 28 8.558 -2.231 -5.417 1.00 43.41 H new ATOM 0 HG3 ARG A 28 8.271 -0.844 -6.449 1.00 43.41 H new ATOM 0 HD2 ARG A 28 10.524 -2.108 -7.578 1.00 51.12 H new ATOM 0 HD3 ARG A 28 9.474 -3.428 -7.103 1.00 51.12 H new ATOM 0 HE ARG A 28 8.053 -2.878 -8.846 1.00 35.24 H new ATOM 0 HH11 ARG A 28 10.011 -0.072 -7.979 1.00 24.53 H new ATOM 0 HH12 ARG A 28 9.387 0.917 -9.304 1.00 24.53 H new ATOM 0 HH21 ARG A 28 7.256 -1.602 -10.544 1.00 51.53 H new ATOM 0 HH22 ARG A 28 7.834 0.055 -10.749 1.00 51.53 H new ATOM 443 N ILE A 29 12.806 -1.209 -2.977 1.00 54.14 N ATOM 444 CA ILE A 29 14.170 -0.788 -2.685 1.00 0.23 C ATOM 445 C ILE A 29 14.460 0.587 -3.277 1.00 12.45 C ATOM 446 O ILE A 29 14.944 0.700 -4.402 1.00 42.45 O ATOM 447 CB ILE A 29 15.199 -1.796 -3.229 1.00 43.22 C ATOM 448 CG1 ILE A 29 14.967 -3.177 -2.614 1.00 23.40 C ATOM 449 CG2 ILE A 29 16.614 -1.314 -2.945 1.00 20.11 C ATOM 450 CD1 ILE A 29 13.937 -4.003 -3.353 1.00 11.44 C ATOM 0 H ILE A 29 12.279 -1.526 -2.163 1.00 54.14 H new ATOM 0 HA ILE A 29 14.259 -0.740 -1.600 1.00 0.23 H new ATOM 0 HB ILE A 29 15.073 -1.875 -4.309 1.00 43.22 H new ATOM 0 HG12 ILE A 29 15.912 -3.721 -2.596 1.00 23.40 H new ATOM 0 HG13 ILE A 29 14.649 -3.056 -1.579 1.00 23.40 H new ATOM 0 HG21 ILE A 29 17.330 -2.037 -3.336 1.00 20.11 H new ATOM 0 HG22 ILE A 29 16.773 -0.349 -3.427 1.00 20.11 H new ATOM 0 HG23 ILE A 29 16.754 -1.210 -1.869 1.00 20.11 H new ATOM 0 HD11 ILE A 29 13.824 -4.969 -2.861 1.00 11.44 H new ATOM 0 HD12 ILE A 29 12.981 -3.480 -3.349 1.00 11.44 H new ATOM 0 HD13 ILE A 29 14.263 -4.156 -4.382 1.00 11.44 H new ATOM 462 N SER A 30 14.161 1.631 -2.509 1.00 24.30 N ATOM 463 CA SER A 30 14.388 3.000 -2.958 1.00 20.53 C ATOM 464 C SER A 30 15.595 3.610 -2.251 1.00 54.14 C ATOM 465 O SER A 30 15.914 3.249 -1.119 1.00 20.23 O ATOM 466 CB SER A 30 13.146 3.855 -2.701 1.00 72.03 C ATOM 467 OG SER A 30 12.164 3.642 -3.701 1.00 65.21 O ATOM 0 H SER A 30 13.761 1.555 -1.574 1.00 24.30 H new ATOM 0 HA SER A 30 14.589 2.977 -4.029 1.00 20.53 H new ATOM 0 HB2 SER A 30 12.731 3.614 -1.722 1.00 72.03 H new ATOM 0 HB3 SER A 30 13.424 4.909 -2.679 1.00 72.03 H new ATOM 0 HG SER A 30 12.353 2.803 -4.171 1.00 65.21 H new ATOM 473 N VAL A 31 16.262 4.539 -2.929 1.00 70.43 N ATOM 474 CA VAL A 31 17.433 5.201 -2.368 1.00 0.31 C ATOM 475 C VAL A 31 17.048 6.502 -1.672 1.00 34.21 C ATOM 476 O VAL A 31 16.575 7.443 -2.310 1.00 60.33 O ATOM 477 CB VAL A 31 18.481 5.505 -3.455 1.00 22.21 C ATOM 478 CG1 VAL A 31 19.845 5.751 -2.828 1.00 20.11 C ATOM 479 CG2 VAL A 31 18.546 4.368 -4.464 1.00 4.03 C ATOM 0 H VAL A 31 16.011 4.850 -3.868 1.00 70.43 H new ATOM 0 HA VAL A 31 17.865 4.515 -1.639 1.00 0.31 H new ATOM 0 HB VAL A 31 18.181 6.411 -3.981 1.00 22.21 H new ATOM 0 HG11 VAL A 31 20.572 5.964 -3.611 1.00 20.11 H new ATOM 0 HG12 VAL A 31 19.785 6.601 -2.148 1.00 20.11 H new ATOM 0 HG13 VAL A 31 20.156 4.865 -2.275 1.00 20.11 H new ATOM 0 HG21 VAL A 31 19.291 4.599 -5.225 1.00 4.03 H new ATOM 0 HG22 VAL A 31 18.822 3.445 -3.954 1.00 4.03 H new ATOM 0 HG23 VAL A 31 17.571 4.245 -4.936 1.00 4.03 H new ATOM 489 N ILE A 32 17.253 6.548 -0.360 1.00 31.41 N ATOM 490 CA ILE A 32 16.928 7.734 0.423 1.00 63.34 C ATOM 491 C ILE A 32 18.174 8.570 0.696 1.00 52.04 C ATOM 492 O ILE A 32 18.936 8.285 1.619 1.00 23.11 O ATOM 493 CB ILE A 32 16.270 7.360 1.764 1.00 2.41 C ATOM 494 CG1 ILE A 32 15.013 6.522 1.524 1.00 14.54 C ATOM 495 CG2 ILE A 32 15.934 8.615 2.557 1.00 64.15 C ATOM 496 CD1 ILE A 32 15.033 5.186 2.233 1.00 51.02 C ATOM 0 H ILE A 32 17.643 5.778 0.183 1.00 31.41 H new ATOM 0 HA ILE A 32 16.223 8.319 -0.167 1.00 63.34 H new ATOM 0 HB ILE A 32 16.975 6.765 2.345 1.00 2.41 H new ATOM 0 HG12 ILE A 32 14.141 7.087 1.855 1.00 14.54 H new ATOM 0 HG13 ILE A 32 14.897 6.354 0.453 1.00 14.54 H new ATOM 0 HG21 ILE A 32 15.470 8.335 3.502 1.00 64.15 H new ATOM 0 HG22 ILE A 32 16.847 9.176 2.754 1.00 64.15 H new ATOM 0 HG23 ILE A 32 15.244 9.234 1.983 1.00 64.15 H new ATOM 0 HD11 ILE A 32 14.111 4.646 2.018 1.00 51.02 H new ATOM 0 HD12 ILE A 32 15.885 4.602 1.885 1.00 51.02 H new ATOM 0 HD13 ILE A 32 15.118 5.346 3.308 1.00 51.02 H new ATOM 508 N VAL A 33 18.374 9.606 -0.113 1.00 74.34 N ATOM 509 CA VAL A 33 19.525 10.486 0.042 1.00 1.41 C ATOM 510 C VAL A 33 19.092 11.889 0.453 1.00 4.33 C ATOM 511 O VAL A 33 18.225 12.493 -0.179 1.00 4.44 O ATOM 512 CB VAL A 33 20.344 10.574 -1.259 1.00 43.42 C ATOM 513 CG1 VAL A 33 21.685 11.246 -1.002 1.00 54.03 C ATOM 514 CG2 VAL A 33 20.539 9.191 -1.861 1.00 35.34 C ATOM 0 H VAL A 33 17.753 9.856 -0.883 1.00 74.34 H new ATOM 0 HA VAL A 33 20.148 10.057 0.826 1.00 1.41 H new ATOM 0 HB VAL A 33 19.791 11.182 -1.975 1.00 43.42 H new ATOM 0 HG11 VAL A 33 22.250 11.299 -1.933 1.00 54.03 H new ATOM 0 HG12 VAL A 33 21.520 12.253 -0.620 1.00 54.03 H new ATOM 0 HG13 VAL A 33 22.247 10.667 -0.269 1.00 54.03 H new ATOM 0 HG21 VAL A 33 21.120 9.273 -2.780 1.00 35.34 H new ATOM 0 HG22 VAL A 33 21.070 8.557 -1.151 1.00 35.34 H new ATOM 0 HG23 VAL A 33 19.567 8.751 -2.084 1.00 35.34 H new ATOM 524 N PHE A 34 19.703 12.403 1.516 1.00 35.12 N ATOM 525 CA PHE A 34 19.380 13.736 2.013 1.00 63.41 C ATOM 526 C PHE A 34 20.536 14.702 1.768 1.00 72.54 C ATOM 527 O PHE A 34 21.514 14.722 2.516 1.00 73.32 O ATOM 528 CB PHE A 34 19.055 13.681 3.507 1.00 53.20 C ATOM 529 CG PHE A 34 19.769 12.580 4.237 1.00 63.25 C ATOM 530 CD1 PHE A 34 19.228 11.306 4.297 1.00 62.23 C ATOM 531 CD2 PHE A 34 20.982 12.819 4.863 1.00 61.23 C ATOM 532 CE1 PHE A 34 19.883 10.290 4.967 1.00 64.21 C ATOM 533 CE2 PHE A 34 21.642 11.807 5.534 1.00 70.21 C ATOM 534 CZ PHE A 34 21.091 10.541 5.587 1.00 4.22 C ATOM 0 H PHE A 34 20.424 11.917 2.049 1.00 35.12 H new ATOM 0 HA PHE A 34 18.506 14.097 1.471 1.00 63.41 H new ATOM 0 HB2 PHE A 34 19.316 14.636 3.962 1.00 53.20 H new ATOM 0 HB3 PHE A 34 17.980 13.551 3.632 1.00 53.20 H new ATOM 0 HD1 PHE A 34 18.283 11.104 3.814 1.00 62.23 H new ATOM 0 HD2 PHE A 34 21.416 13.807 4.826 1.00 61.23 H new ATOM 0 HE1 PHE A 34 19.451 9.301 5.006 1.00 64.21 H new ATOM 0 HE2 PHE A 34 22.588 12.006 6.017 1.00 70.21 H new ATOM 0 HZ PHE A 34 21.604 9.749 6.112 1.00 4.22 H new ATOM 544 N THR A 35 20.416 15.502 0.713 1.00 64.02 N ATOM 545 CA THR A 35 21.450 16.469 0.366 1.00 1.24 C ATOM 546 C THR A 35 20.838 17.785 -0.101 1.00 32.31 C ATOM 547 O THR A 35 19.837 17.795 -0.819 1.00 3.13 O ATOM 548 CB THR A 35 22.379 15.928 -0.737 1.00 20.13 C ATOM 549 OG1 THR A 35 21.608 15.262 -1.743 1.00 22.41 O ATOM 550 CG2 THR A 35 23.405 14.966 -0.157 1.00 32.15 C ATOM 0 H THR A 35 19.613 15.499 0.084 1.00 64.02 H new ATOM 0 HA THR A 35 22.035 16.643 1.269 1.00 1.24 H new ATOM 0 HB THR A 35 22.907 16.771 -1.183 1.00 20.13 H new ATOM 0 HG1 THR A 35 22.205 14.922 -2.442 1.00 22.41 H new ATOM 0 HG21 THR A 35 24.050 14.597 -0.955 1.00 32.15 H new ATOM 0 HG22 THR A 35 24.009 15.484 0.588 1.00 32.15 H new ATOM 0 HG23 THR A 35 22.892 14.127 0.312 1.00 32.15 H new ATOM 558 N HIS A 36 21.445 18.894 0.310 1.00 71.41 N ATOM 559 CA HIS A 36 20.959 20.216 -0.068 1.00 64.04 C ATOM 560 C HIS A 36 21.142 20.454 -1.564 1.00 53.23 C ATOM 561 O HIS A 36 22.041 19.904 -2.200 1.00 5.50 O ATOM 562 CB HIS A 36 21.692 21.298 0.725 1.00 23.12 C ATOM 563 CG HIS A 36 21.812 20.992 2.186 1.00 34.35 C ATOM 564 ND1 HIS A 36 20.882 21.401 3.119 1.00 4.05 N ATOM 565 CD2 HIS A 36 22.758 20.310 2.874 1.00 54.12 C ATOM 566 CE1 HIS A 36 21.253 20.986 4.318 1.00 53.03 C ATOM 567 NE2 HIS A 36 22.387 20.321 4.196 1.00 24.01 N ATOM 0 H HIS A 36 22.274 18.903 0.904 1.00 71.41 H new ATOM 0 HA HIS A 36 19.895 20.265 0.163 1.00 64.04 H new ATOM 0 HB2 HIS A 36 22.690 21.430 0.307 1.00 23.12 H new ATOM 0 HB3 HIS A 36 21.167 22.245 0.603 1.00 23.12 H new ATOM 0 HD1 HIS A 36 20.040 21.939 2.916 1.00 4.05 H new ATOM 0 HD2 HIS A 36 23.640 19.844 2.460 1.00 54.12 H new ATOM 0 HE1 HIS A 36 20.719 21.161 5.240 1.00 53.03 H new ATOM 575 N PRO A 37 20.268 21.292 -2.142 1.00 0.45 N ATOM 576 CA PRO A 37 20.312 21.622 -3.569 1.00 42.12 C ATOM 577 C PRO A 37 21.521 22.478 -3.929 1.00 44.43 C ATOM 578 O PRO A 37 22.109 22.321 -5.000 1.00 15.31 O ATOM 579 CB PRO A 37 19.016 22.406 -3.793 1.00 24.35 C ATOM 580 CG PRO A 37 18.688 22.983 -2.459 1.00 45.41 C ATOM 581 CD PRO A 37 19.170 21.983 -1.445 1.00 0.33 C ATOM 0 HA PRO A 37 20.400 20.731 -4.190 1.00 42.12 H new ATOM 0 HB2 PRO A 37 19.150 23.188 -4.541 1.00 24.35 H new ATOM 0 HB3 PRO A 37 18.217 21.757 -4.151 1.00 24.35 H new ATOM 0 HG2 PRO A 37 19.178 23.947 -2.320 1.00 45.41 H new ATOM 0 HG3 PRO A 37 17.616 23.153 -2.360 1.00 45.41 H new ATOM 0 HD2 PRO A 37 19.516 22.470 -0.533 1.00 0.33 H new ATOM 0 HD3 PRO A 37 18.379 21.291 -1.156 1.00 0.33 H new ATOM 589 N ASP A 38 21.889 23.383 -3.029 1.00 14.41 N ATOM 590 CA ASP A 38 23.030 24.264 -3.251 1.00 54.03 C ATOM 591 C ASP A 38 24.265 23.749 -2.519 1.00 73.41 C ATOM 592 O ASP A 38 25.173 24.515 -2.197 1.00 73.14 O ATOM 593 CB ASP A 38 22.703 25.685 -2.788 1.00 74.52 C ATOM 594 CG ASP A 38 22.891 25.864 -1.295 1.00 1.43 C ATOM 595 OD1 ASP A 38 23.816 26.604 -0.898 1.00 22.22 O ATOM 596 OD2 ASP A 38 22.113 25.266 -0.523 1.00 10.43 O ATOM 0 H ASP A 38 21.413 23.526 -2.138 1.00 14.41 H new ATOM 0 HA ASP A 38 23.243 24.279 -4.320 1.00 54.03 H new ATOM 0 HB2 ASP A 38 23.340 26.393 -3.319 1.00 74.52 H new ATOM 0 HB3 ASP A 38 21.673 25.922 -3.053 1.00 74.52 H new ATOM 601 N SER A 39 24.291 22.446 -2.258 1.00 33.42 N ATOM 602 CA SER A 39 25.412 21.828 -1.559 1.00 11.40 C ATOM 603 C SER A 39 26.639 21.750 -2.463 1.00 12.55 C ATOM 604 O SER A 39 26.770 20.834 -3.274 1.00 71.01 O ATOM 605 CB SER A 39 25.030 20.428 -1.076 1.00 24.31 C ATOM 606 OG SER A 39 26.181 19.679 -0.722 1.00 53.51 O ATOM 0 H SER A 39 23.548 21.798 -2.520 1.00 33.42 H new ATOM 0 HA SER A 39 25.657 22.448 -0.696 1.00 11.40 H new ATOM 0 HB2 SER A 39 24.364 20.505 -0.217 1.00 24.31 H new ATOM 0 HB3 SER A 39 24.480 19.907 -1.860 1.00 24.31 H new ATOM 0 HG SER A 39 25.952 19.043 -0.013 1.00 53.51 H new ATOM 612 N LYS A 40 27.536 22.719 -2.316 1.00 1.31 N ATOM 613 CA LYS A 40 28.754 22.762 -3.116 1.00 41.43 C ATOM 614 C LYS A 40 29.585 21.500 -2.911 1.00 21.12 C ATOM 615 O LYS A 40 29.977 20.840 -3.873 1.00 71.04 O ATOM 616 CB LYS A 40 29.584 23.996 -2.754 1.00 54.41 C ATOM 617 CG LYS A 40 30.789 24.205 -3.655 1.00 32.13 C ATOM 618 CD LYS A 40 32.066 23.706 -3.001 1.00 24.02 C ATOM 619 CE LYS A 40 33.294 24.390 -3.583 1.00 21.22 C ATOM 620 NZ LYS A 40 33.413 24.162 -5.050 1.00 21.35 N ATOM 0 H LYS A 40 27.442 23.486 -1.650 1.00 1.31 H new ATOM 0 HA LYS A 40 28.467 22.820 -4.166 1.00 41.43 H new ATOM 0 HB2 LYS A 40 28.947 24.879 -2.803 1.00 54.41 H new ATOM 0 HB3 LYS A 40 29.924 23.905 -1.722 1.00 54.41 H new ATOM 0 HG2 LYS A 40 30.634 23.682 -4.599 1.00 32.13 H new ATOM 0 HG3 LYS A 40 30.889 25.265 -3.890 1.00 32.13 H new ATOM 0 HD2 LYS A 40 32.021 23.888 -1.927 1.00 24.02 H new ATOM 0 HD3 LYS A 40 32.149 22.628 -3.138 1.00 24.02 H new ATOM 0 HE2 LYS A 40 33.241 25.461 -3.385 1.00 21.22 H new ATOM 0 HE3 LYS A 40 34.188 24.017 -3.084 1.00 21.22 H new ATOM 0 HZ1 LYS A 40 34.305 24.572 -5.394 1.00 21.35 H new ATOM 0 HZ2 LYS A 40 33.403 23.140 -5.244 1.00 21.35 H new ATOM 0 HZ3 LYS A 40 32.614 24.615 -5.538 1.00 21.35 H new ATOM 634 N ARG A 41 29.849 21.169 -1.651 1.00 0.31 N ATOM 635 CA ARG A 41 30.633 19.986 -1.320 1.00 22.41 C ATOM 636 C ARG A 41 30.011 18.733 -1.931 1.00 4.20 C ATOM 637 O ARG A 41 30.697 17.737 -2.161 1.00 34.21 O ATOM 638 CB ARG A 41 30.740 19.826 0.198 1.00 51.42 C ATOM 639 CG ARG A 41 29.394 19.701 0.893 1.00 2.12 C ATOM 640 CD ARG A 41 28.930 21.036 1.454 1.00 43.54 C ATOM 641 NE ARG A 41 28.456 20.918 2.830 1.00 62.52 N ATOM 642 CZ ARG A 41 28.134 21.959 3.589 1.00 41.13 C ATOM 643 NH1 ARG A 41 28.234 23.190 3.107 1.00 2.44 N ATOM 644 NH2 ARG A 41 27.710 21.770 4.832 1.00 63.12 N ATOM 0 H ARG A 41 29.531 21.704 -0.843 1.00 0.31 H new ATOM 0 HA ARG A 41 31.632 20.116 -1.736 1.00 22.41 H new ATOM 0 HB2 ARG A 41 31.338 18.942 0.421 1.00 51.42 H new ATOM 0 HB3 ARG A 41 31.273 20.683 0.609 1.00 51.42 H new ATOM 0 HG2 ARG A 41 28.653 19.324 0.188 1.00 2.12 H new ATOM 0 HG3 ARG A 41 29.466 18.972 1.700 1.00 2.12 H new ATOM 0 HD2 ARG A 41 29.752 21.751 1.414 1.00 43.54 H new ATOM 0 HD3 ARG A 41 28.131 21.434 0.828 1.00 43.54 H new ATOM 0 HE ARG A 41 28.367 19.984 3.230 1.00 62.52 H new ATOM 0 HH11 ARG A 41 28.559 23.339 2.152 1.00 2.44 H new ATOM 0 HH12 ARG A 41 27.986 23.988 3.692 1.00 2.44 H new ATOM 0 HH21 ARG A 41 27.631 20.824 5.206 1.00 63.12 H new ATOM 0 HH22 ARG A 41 27.463 22.571 5.414 1.00 63.12 H new ATOM 658 N SER A 42 28.709 18.792 -2.191 1.00 22.20 N ATOM 659 CA SER A 42 27.994 17.661 -2.771 1.00 51.21 C ATOM 660 C SER A 42 27.048 18.125 -3.875 1.00 2.23 C ATOM 661 O SER A 42 25.837 17.915 -3.800 1.00 43.23 O ATOM 662 CB SER A 42 27.208 16.918 -1.689 1.00 51.31 C ATOM 663 OG SER A 42 27.944 16.850 -0.480 1.00 61.43 O ATOM 0 H SER A 42 28.128 19.610 -2.009 1.00 22.20 H new ATOM 0 HA SER A 42 28.728 16.983 -3.206 1.00 51.21 H new ATOM 0 HB2 SER A 42 26.259 17.424 -1.513 1.00 51.31 H new ATOM 0 HB3 SER A 42 26.973 15.911 -2.033 1.00 51.31 H new ATOM 0 HG SER A 42 27.420 16.372 0.196 1.00 61.43 H new ATOM 669 N LYS A 43 27.610 18.758 -4.899 1.00 71.22 N ATOM 670 CA LYS A 43 26.820 19.252 -6.021 1.00 35.35 C ATOM 671 C LYS A 43 27.233 18.569 -7.320 1.00 44.34 C ATOM 672 O LYS A 43 26.424 18.412 -8.234 1.00 1.31 O ATOM 673 CB LYS A 43 26.979 20.768 -6.155 1.00 32.21 C ATOM 674 CG LYS A 43 25.675 21.532 -6.004 1.00 0.23 C ATOM 675 CD LYS A 43 25.509 22.574 -7.098 1.00 21.43 C ATOM 676 CE LYS A 43 26.519 23.701 -6.952 1.00 2.33 C ATOM 677 NZ LYS A 43 27.254 23.955 -8.222 1.00 4.34 N ATOM 0 H LYS A 43 28.611 18.941 -4.975 1.00 71.22 H new ATOM 0 HA LYS A 43 25.773 19.019 -5.827 1.00 35.35 H new ATOM 0 HB2 LYS A 43 27.685 21.119 -5.402 1.00 32.21 H new ATOM 0 HB3 LYS A 43 27.413 20.995 -7.129 1.00 32.21 H new ATOM 0 HG2 LYS A 43 24.838 20.834 -6.035 1.00 0.23 H new ATOM 0 HG3 LYS A 43 25.648 22.019 -5.029 1.00 0.23 H new ATOM 0 HD2 LYS A 43 25.628 22.101 -8.073 1.00 21.43 H new ATOM 0 HD3 LYS A 43 24.499 22.982 -7.063 1.00 21.43 H new ATOM 0 HE2 LYS A 43 26.005 24.611 -6.641 1.00 2.33 H new ATOM 0 HE3 LYS A 43 27.230 23.452 -6.164 1.00 2.33 H new ATOM 0 HZ1 LYS A 43 27.933 24.730 -8.081 1.00 4.34 H new ATOM 0 HZ2 LYS A 43 27.765 23.095 -8.506 1.00 4.34 H new ATOM 0 HZ3 LYS A 43 26.578 24.218 -8.968 1.00 4.34 H new ATOM 691 N GLU A 44 28.498 18.165 -7.395 1.00 33.02 N ATOM 692 CA GLU A 44 29.017 17.499 -8.583 1.00 61.34 C ATOM 693 C GLU A 44 28.519 16.059 -8.661 1.00 73.54 C ATOM 694 O GLU A 44 28.176 15.567 -9.737 1.00 71.20 O ATOM 695 CB GLU A 44 30.547 17.521 -8.580 1.00 41.10 C ATOM 696 CG GLU A 44 31.135 18.903 -8.348 1.00 21.32 C ATOM 697 CD GLU A 44 31.992 19.374 -9.506 1.00 45.13 C ATOM 698 OE1 GLU A 44 33.181 18.993 -9.557 1.00 51.34 O ATOM 699 OE2 GLU A 44 31.476 20.123 -10.361 1.00 52.41 O ATOM 0 H GLU A 44 29.181 18.288 -6.647 1.00 33.02 H new ATOM 0 HA GLU A 44 28.654 18.039 -9.458 1.00 61.34 H new ATOM 0 HB2 GLU A 44 30.910 16.846 -7.805 1.00 41.10 H new ATOM 0 HB3 GLU A 44 30.909 17.136 -9.533 1.00 41.10 H new ATOM 0 HG2 GLU A 44 30.326 19.615 -8.186 1.00 21.32 H new ATOM 0 HG3 GLU A 44 31.735 18.890 -7.438 1.00 21.32 H new ATOM 706 N ILE A 45 28.482 15.388 -7.515 1.00 2.54 N ATOM 707 CA ILE A 45 28.026 14.006 -7.453 1.00 33.44 C ATOM 708 C ILE A 45 26.562 13.891 -7.865 1.00 20.14 C ATOM 709 O ILE A 45 26.068 12.799 -8.147 1.00 24.22 O ATOM 710 CB ILE A 45 28.197 13.419 -6.039 1.00 11.01 C ATOM 711 CG1 ILE A 45 27.482 14.296 -5.009 1.00 54.02 C ATOM 712 CG2 ILE A 45 29.673 13.286 -5.696 1.00 1.53 C ATOM 713 CD1 ILE A 45 26.008 13.985 -4.871 1.00 13.34 C ATOM 0 H ILE A 45 28.763 15.780 -6.616 1.00 2.54 H new ATOM 0 HA ILE A 45 28.643 13.439 -8.150 1.00 33.44 H new ATOM 0 HB ILE A 45 27.748 12.426 -6.017 1.00 11.01 H new ATOM 0 HG12 ILE A 45 27.964 14.170 -4.039 1.00 54.02 H new ATOM 0 HG13 ILE A 45 27.600 15.342 -5.290 1.00 54.02 H new ATOM 0 HG21 ILE A 45 29.778 12.870 -4.694 1.00 1.53 H new ATOM 0 HG22 ILE A 45 30.156 12.625 -6.416 1.00 1.53 H new ATOM 0 HG23 ILE A 45 30.145 14.268 -5.732 1.00 1.53 H new ATOM 0 HD11 ILE A 45 25.565 14.644 -4.124 1.00 13.34 H new ATOM 0 HD12 ILE A 45 25.513 14.138 -5.830 1.00 13.34 H new ATOM 0 HD13 ILE A 45 25.883 12.948 -4.559 1.00 13.34 H new ATOM 725 N LYS A 46 25.872 15.026 -7.899 1.00 61.10 N ATOM 726 CA LYS A 46 24.465 15.055 -8.280 1.00 11.33 C ATOM 727 C LYS A 46 24.256 14.404 -9.643 1.00 24.40 C ATOM 728 O LYS A 46 23.357 13.582 -9.816 1.00 61.15 O ATOM 729 CB LYS A 46 23.953 16.497 -8.308 1.00 41.33 C ATOM 730 CG LYS A 46 23.813 17.120 -6.930 1.00 55.22 C ATOM 731 CD LYS A 46 22.375 17.521 -6.643 1.00 42.25 C ATOM 732 CE LYS A 46 22.305 18.680 -5.661 1.00 43.30 C ATOM 733 NZ LYS A 46 21.504 18.336 -4.454 1.00 5.44 N ATOM 0 H LYS A 46 26.265 15.938 -7.667 1.00 61.10 H new ATOM 0 HA LYS A 46 23.902 14.490 -7.537 1.00 11.33 H new ATOM 0 HB2 LYS A 46 24.634 17.104 -8.904 1.00 41.33 H new ATOM 0 HB3 LYS A 46 22.985 16.520 -8.808 1.00 41.33 H new ATOM 0 HG2 LYS A 46 24.152 16.412 -6.174 1.00 55.22 H new ATOM 0 HG3 LYS A 46 24.457 17.996 -6.859 1.00 55.22 H new ATOM 0 HD2 LYS A 46 21.882 17.801 -7.574 1.00 42.25 H new ATOM 0 HD3 LYS A 46 21.832 16.667 -6.239 1.00 42.25 H new ATOM 0 HE2 LYS A 46 23.314 18.962 -5.359 1.00 43.30 H new ATOM 0 HE3 LYS A 46 21.866 19.547 -6.154 1.00 43.30 H new ATOM 0 HZ1 LYS A 46 21.784 18.952 -3.664 1.00 5.44 H new ATOM 0 HZ2 LYS A 46 20.493 18.472 -4.658 1.00 5.44 H new ATOM 0 HZ3 LYS A 46 21.675 17.343 -4.195 1.00 5.44 H new ATOM 747 N GLU A 47 25.094 14.775 -10.606 1.00 42.10 N ATOM 748 CA GLU A 47 25.001 14.225 -11.953 1.00 55.12 C ATOM 749 C GLU A 47 25.474 12.775 -11.983 1.00 32.31 C ATOM 750 O GLU A 47 24.934 11.948 -12.719 1.00 0.15 O ATOM 751 CB GLU A 47 25.829 15.063 -12.929 1.00 51.40 C ATOM 752 CG GLU A 47 25.013 15.660 -14.064 1.00 1.15 C ATOM 753 CD GLU A 47 24.072 16.753 -13.594 1.00 22.53 C ATOM 754 OE1 GLU A 47 23.114 17.066 -14.330 1.00 53.43 O ATOM 755 OE2 GLU A 47 24.294 17.294 -12.490 1.00 61.55 O ATOM 0 H GLU A 47 25.845 15.454 -10.478 1.00 42.10 H new ATOM 0 HA GLU A 47 23.955 14.254 -12.257 1.00 55.12 H new ATOM 0 HB2 GLU A 47 26.316 15.869 -12.380 1.00 51.40 H new ATOM 0 HB3 GLU A 47 26.619 14.441 -13.349 1.00 51.40 H new ATOM 0 HG2 GLU A 47 25.688 16.066 -14.817 1.00 1.15 H new ATOM 0 HG3 GLU A 47 24.436 14.871 -14.546 1.00 1.15 H new ATOM 762 N LYS A 48 26.487 12.473 -11.178 1.00 32.41 N ATOM 763 CA LYS A 48 27.034 11.123 -11.110 1.00 22.15 C ATOM 764 C LYS A 48 25.944 10.110 -10.774 1.00 61.15 C ATOM 765 O LYS A 48 25.824 9.073 -11.428 1.00 53.04 O ATOM 766 CB LYS A 48 28.148 11.055 -10.062 1.00 60.43 C ATOM 767 CG LYS A 48 29.244 12.085 -10.272 1.00 63.32 C ATOM 768 CD LYS A 48 30.021 11.820 -11.551 1.00 21.41 C ATOM 769 CE LYS A 48 29.740 12.880 -12.604 1.00 54.21 C ATOM 770 NZ LYS A 48 30.728 12.833 -13.717 1.00 4.44 N ATOM 0 H LYS A 48 26.946 13.145 -10.563 1.00 32.41 H new ATOM 0 HA LYS A 48 27.447 10.875 -12.088 1.00 22.15 H new ATOM 0 HB2 LYS A 48 27.713 11.196 -9.072 1.00 60.43 H new ATOM 0 HB3 LYS A 48 28.590 10.059 -10.077 1.00 60.43 H new ATOM 0 HG2 LYS A 48 28.805 13.082 -10.312 1.00 63.32 H new ATOM 0 HG3 LYS A 48 29.926 12.071 -9.422 1.00 63.32 H new ATOM 0 HD2 LYS A 48 31.088 11.798 -11.331 1.00 21.41 H new ATOM 0 HD3 LYS A 48 29.756 10.838 -11.942 1.00 21.41 H new ATOM 0 HE2 LYS A 48 28.736 12.737 -13.004 1.00 54.21 H new ATOM 0 HE3 LYS A 48 29.762 13.866 -12.141 1.00 54.21 H new ATOM 0 HZ1 LYS A 48 30.501 13.571 -14.414 1.00 4.44 H new ATOM 0 HZ2 LYS A 48 31.684 12.994 -13.340 1.00 4.44 H new ATOM 0 HZ3 LYS A 48 30.690 11.901 -14.176 1.00 4.44 H new ATOM 784 N LEU A 49 25.151 10.417 -9.754 1.00 23.13 N ATOM 785 CA LEU A 49 24.069 9.534 -9.333 1.00 23.42 C ATOM 786 C LEU A 49 22.934 9.539 -10.352 1.00 2.22 C ATOM 787 O LEU A 49 22.275 8.522 -10.569 1.00 43.13 O ATOM 788 CB LEU A 49 23.541 9.959 -7.962 1.00 1.22 C ATOM 789 CG LEU A 49 22.620 8.962 -7.258 1.00 53.03 C ATOM 790 CD1 LEU A 49 23.410 7.759 -6.768 1.00 3.13 C ATOM 791 CD2 LEU A 49 21.892 9.632 -6.102 1.00 3.21 C ATOM 0 H LEU A 49 25.237 11.271 -9.203 1.00 23.13 H new ATOM 0 HA LEU A 49 24.466 8.521 -9.264 1.00 23.42 H new ATOM 0 HB2 LEU A 49 24.393 10.157 -7.312 1.00 1.22 H new ATOM 0 HB3 LEU A 49 23.003 10.900 -8.078 1.00 1.22 H new ATOM 0 HG LEU A 49 21.877 8.614 -7.976 1.00 53.03 H new ATOM 0 HD11 LEU A 49 22.738 7.061 -6.270 1.00 3.13 H new ATOM 0 HD12 LEU A 49 23.883 7.264 -7.616 1.00 3.13 H new ATOM 0 HD13 LEU A 49 24.176 8.088 -6.066 1.00 3.13 H new ATOM 0 HD21 LEU A 49 21.241 8.907 -5.613 1.00 3.21 H new ATOM 0 HD22 LEU A 49 22.620 10.009 -5.383 1.00 3.21 H new ATOM 0 HD23 LEU A 49 21.293 10.460 -6.480 1.00 3.21 H new ATOM 803 N LYS A 50 22.712 10.691 -10.976 1.00 21.10 N ATOM 804 CA LYS A 50 21.659 10.830 -11.975 1.00 64.43 C ATOM 805 C LYS A 50 21.929 9.931 -13.178 1.00 30.32 C ATOM 806 O LYS A 50 21.012 9.320 -13.728 1.00 0.31 O ATOM 807 CB LYS A 50 21.548 12.287 -12.429 1.00 75.22 C ATOM 808 CG LYS A 50 20.246 12.602 -13.146 1.00 11.44 C ATOM 809 CD LYS A 50 20.496 13.195 -14.522 1.00 5.30 C ATOM 810 CE LYS A 50 19.483 14.280 -14.855 1.00 21.33 C ATOM 811 NZ LYS A 50 18.121 13.718 -15.073 1.00 2.14 N ATOM 0 H LYS A 50 23.248 11.542 -10.807 1.00 21.10 H new ATOM 0 HA LYS A 50 20.717 10.525 -11.519 1.00 64.43 H new ATOM 0 HB2 LYS A 50 21.641 12.938 -11.560 1.00 75.22 H new ATOM 0 HB3 LYS A 50 22.383 12.517 -13.091 1.00 75.22 H new ATOM 0 HG2 LYS A 50 19.654 11.692 -13.243 1.00 11.44 H new ATOM 0 HG3 LYS A 50 19.661 13.301 -12.549 1.00 11.44 H new ATOM 0 HD2 LYS A 50 21.503 13.611 -14.562 1.00 5.30 H new ATOM 0 HD3 LYS A 50 20.446 12.407 -15.273 1.00 5.30 H new ATOM 0 HE2 LYS A 50 19.450 15.008 -14.044 1.00 21.33 H new ATOM 0 HE3 LYS A 50 19.803 14.814 -15.750 1.00 21.33 H new ATOM 0 HZ1 LYS A 50 17.459 14.488 -15.298 1.00 2.14 H new ATOM 0 HZ2 LYS A 50 18.147 13.042 -15.863 1.00 2.14 H new ATOM 0 HZ3 LYS A 50 17.805 13.230 -14.211 1.00 2.14 H new ATOM 825 N LYS A 51 23.193 9.852 -13.581 1.00 13.43 N ATOM 826 CA LYS A 51 23.584 9.026 -14.716 1.00 44.03 C ATOM 827 C LYS A 51 23.459 7.544 -14.379 1.00 73.45 C ATOM 828 O LYS A 51 23.104 6.730 -15.234 1.00 10.32 O ATOM 829 CB LYS A 51 25.022 9.345 -15.134 1.00 33.12 C ATOM 830 CG LYS A 51 25.115 10.264 -16.339 1.00 42.41 C ATOM 831 CD LYS A 51 26.554 10.446 -16.792 1.00 4.15 C ATOM 832 CE LYS A 51 26.629 10.927 -18.232 1.00 41.45 C ATOM 833 NZ LYS A 51 27.738 10.272 -18.979 1.00 63.13 N ATOM 0 H LYS A 51 23.964 10.351 -13.137 1.00 13.43 H new ATOM 0 HA LYS A 51 22.913 9.250 -15.545 1.00 44.03 H new ATOM 0 HB2 LYS A 51 25.542 9.807 -14.294 1.00 33.12 H new ATOM 0 HB3 LYS A 51 25.542 8.413 -15.357 1.00 33.12 H new ATOM 0 HG2 LYS A 51 24.524 9.853 -17.158 1.00 42.41 H new ATOM 0 HG3 LYS A 51 24.685 11.235 -16.092 1.00 42.41 H new ATOM 0 HD2 LYS A 51 27.053 11.164 -16.141 1.00 4.15 H new ATOM 0 HD3 LYS A 51 27.089 9.501 -16.695 1.00 4.15 H new ATOM 0 HE2 LYS A 51 25.683 10.722 -18.733 1.00 41.45 H new ATOM 0 HE3 LYS A 51 26.770 12.008 -18.247 1.00 41.45 H new ATOM 0 HZ1 LYS A 51 27.755 10.627 -19.956 1.00 63.13 H new ATOM 0 HZ2 LYS A 51 28.644 10.488 -18.516 1.00 63.13 H new ATOM 0 HZ3 LYS A 51 27.591 9.243 -18.987 1.00 63.13 H new ATOM 847 N LEU A 52 23.750 7.199 -13.130 1.00 70.11 N ATOM 848 CA LEU A 52 23.668 5.814 -12.680 1.00 31.33 C ATOM 849 C LEU A 52 22.306 5.212 -13.013 1.00 44.43 C ATOM 850 O LEU A 52 22.180 4.003 -13.202 1.00 24.13 O ATOM 851 CB LEU A 52 23.919 5.731 -11.173 1.00 64.11 C ATOM 852 CG LEU A 52 23.775 4.345 -10.544 1.00 33.04 C ATOM 853 CD1 LEU A 52 24.736 4.186 -9.376 1.00 64.23 C ATOM 854 CD2 LEU A 52 22.341 4.112 -10.091 1.00 74.33 C ATOM 0 H LEU A 52 24.045 7.859 -12.411 1.00 70.11 H new ATOM 0 HA LEU A 52 24.435 5.243 -13.203 1.00 31.33 H new ATOM 0 HB2 LEU A 52 24.926 6.096 -10.972 1.00 64.11 H new ATOM 0 HB3 LEU A 52 23.228 6.409 -10.672 1.00 64.11 H new ATOM 0 HG LEU A 52 24.024 3.598 -11.297 1.00 33.04 H new ATOM 0 HD11 LEU A 52 24.619 3.193 -8.941 1.00 64.23 H new ATOM 0 HD12 LEU A 52 25.760 4.309 -9.728 1.00 64.23 H new ATOM 0 HD13 LEU A 52 24.519 4.941 -8.621 1.00 64.23 H new ATOM 0 HD21 LEU A 52 22.257 3.121 -9.646 1.00 74.33 H new ATOM 0 HD22 LEU A 52 22.065 4.866 -9.353 1.00 74.33 H new ATOM 0 HD23 LEU A 52 21.672 4.182 -10.949 1.00 74.33 H new ATOM 866 N ALA A 53 21.290 6.066 -13.087 1.00 23.13 N ATOM 867 CA ALA A 53 19.939 5.619 -13.402 1.00 40.50 C ATOM 868 C ALA A 53 19.916 4.807 -14.692 1.00 63.02 C ATOM 869 O ALA A 53 19.033 3.975 -14.896 1.00 62.32 O ATOM 870 CB ALA A 53 19.001 6.813 -13.511 1.00 30.53 C ATOM 0 H ALA A 53 21.377 7.071 -12.933 1.00 23.13 H new ATOM 0 HA ALA A 53 19.598 4.974 -12.592 1.00 40.50 H new ATOM 0 HB1 ALA A 53 17.995 6.465 -13.747 1.00 30.53 H new ATOM 0 HB2 ALA A 53 18.986 7.352 -12.564 1.00 30.53 H new ATOM 0 HB3 ALA A 53 19.349 7.478 -14.301 1.00 30.53 H new ATOM 876 N GLU A 54 20.893 5.055 -15.560 1.00 15.12 N ATOM 877 CA GLU A 54 20.982 4.347 -16.831 1.00 61.51 C ATOM 878 C GLU A 54 21.633 2.979 -16.647 1.00 22.21 C ATOM 879 O GLU A 54 21.190 1.987 -17.224 1.00 34.41 O ATOM 880 CB GLU A 54 21.779 5.171 -17.845 1.00 21.44 C ATOM 881 CG GLU A 54 21.796 4.569 -19.240 1.00 32.23 C ATOM 882 CD GLU A 54 23.137 3.957 -19.595 1.00 40.43 C ATOM 883 OE1 GLU A 54 24.173 4.596 -19.314 1.00 52.32 O ATOM 884 OE2 GLU A 54 23.151 2.841 -20.154 1.00 43.04 O ATOM 0 H GLU A 54 21.633 5.740 -15.406 1.00 15.12 H new ATOM 0 HA GLU A 54 19.970 4.201 -17.208 1.00 61.51 H new ATOM 0 HB2 GLU A 54 21.357 6.175 -17.897 1.00 21.44 H new ATOM 0 HB3 GLU A 54 22.805 5.274 -17.491 1.00 21.44 H new ATOM 0 HG2 GLU A 54 21.022 3.805 -19.311 1.00 32.23 H new ATOM 0 HG3 GLU A 54 21.549 5.342 -19.968 1.00 32.23 H new ATOM 891 N GLU A 55 22.688 2.936 -15.839 1.00 62.11 N ATOM 892 CA GLU A 55 23.401 1.691 -15.580 1.00 62.42 C ATOM 893 C GLU A 55 22.464 0.639 -14.993 1.00 1.34 C ATOM 894 O GLU A 55 22.700 -0.562 -15.125 1.00 55.11 O ATOM 895 CB GLU A 55 24.572 1.936 -14.626 1.00 41.14 C ATOM 896 CG GLU A 55 24.229 1.695 -13.166 1.00 74.31 C ATOM 897 CD GLU A 55 24.407 0.246 -12.757 1.00 21.43 C ATOM 898 OE1 GLU A 55 24.105 -0.082 -11.590 1.00 5.12 O ATOM 899 OE2 GLU A 55 24.848 -0.560 -13.602 1.00 64.31 O ATOM 0 H GLU A 55 23.067 3.749 -15.353 1.00 62.11 H new ATOM 0 HA GLU A 55 23.787 1.320 -16.529 1.00 62.42 H new ATOM 0 HB2 GLU A 55 25.401 1.287 -14.908 1.00 41.14 H new ATOM 0 HB3 GLU A 55 24.917 2.963 -14.744 1.00 41.14 H new ATOM 0 HG2 GLU A 55 24.860 2.326 -12.540 1.00 74.31 H new ATOM 0 HG3 GLU A 55 23.197 1.996 -12.985 1.00 74.31 H new ATOM 906 N PHE A 56 21.401 1.100 -14.342 1.00 51.22 N ATOM 907 CA PHE A 56 20.428 0.201 -13.732 1.00 64.23 C ATOM 908 C PHE A 56 19.200 0.970 -13.256 1.00 0.33 C ATOM 909 O PHE A 56 19.029 1.242 -12.067 1.00 50.01 O ATOM 910 CB PHE A 56 21.062 -0.549 -12.558 1.00 73.05 C ATOM 911 CG PHE A 56 20.309 -1.787 -12.161 1.00 53.45 C ATOM 912 CD1 PHE A 56 20.007 -2.033 -10.832 1.00 22.41 C ATOM 913 CD2 PHE A 56 19.903 -2.703 -13.118 1.00 31.30 C ATOM 914 CE1 PHE A 56 19.314 -3.171 -10.463 1.00 62.11 C ATOM 915 CE2 PHE A 56 19.209 -3.842 -12.755 1.00 63.33 C ATOM 916 CZ PHE A 56 18.916 -4.077 -11.426 1.00 74.22 C ATOM 0 H PHE A 56 21.191 2.091 -14.223 1.00 51.22 H new ATOM 0 HA PHE A 56 20.113 -0.519 -14.487 1.00 64.23 H new ATOM 0 HB2 PHE A 56 22.083 -0.823 -12.822 1.00 73.05 H new ATOM 0 HB3 PHE A 56 21.123 0.120 -11.700 1.00 73.05 H new ATOM 0 HD1 PHE A 56 20.316 -1.328 -10.075 1.00 22.41 H new ATOM 0 HD2 PHE A 56 20.131 -2.525 -14.159 1.00 31.30 H new ATOM 0 HE1 PHE A 56 19.084 -3.351 -9.423 1.00 62.11 H new ATOM 0 HE2 PHE A 56 18.896 -4.548 -13.510 1.00 63.33 H new ATOM 0 HZ PHE A 56 18.376 -4.968 -11.140 1.00 74.22 H new ATOM 926 N PRO A 57 18.324 1.331 -14.205 1.00 15.23 N ATOM 927 CA PRO A 57 17.096 2.074 -13.907 1.00 14.42 C ATOM 928 C PRO A 57 16.077 1.230 -13.149 1.00 13.53 C ATOM 929 O PRO A 57 15.056 1.740 -12.686 1.00 72.01 O ATOM 930 CB PRO A 57 16.559 2.443 -15.292 1.00 44.43 C ATOM 931 CG PRO A 57 17.117 1.405 -16.203 1.00 72.31 C ATOM 932 CD PRO A 57 18.463 1.041 -15.642 1.00 25.15 C ATOM 0 HA PRO A 57 17.286 2.934 -13.265 1.00 14.42 H new ATOM 0 HB2 PRO A 57 15.469 2.439 -15.308 1.00 44.43 H new ATOM 0 HB3 PRO A 57 16.879 3.442 -15.587 1.00 44.43 H new ATOM 0 HG2 PRO A 57 16.464 0.533 -16.247 1.00 72.31 H new ATOM 0 HG3 PRO A 57 17.208 1.787 -17.220 1.00 72.31 H new ATOM 0 HD2 PRO A 57 18.702 -0.008 -15.819 1.00 25.15 H new ATOM 0 HD3 PRO A 57 19.260 1.630 -16.096 1.00 25.15 H new ATOM 940 N ASP A 58 16.361 -0.061 -13.025 1.00 35.33 N ATOM 941 CA ASP A 58 15.469 -0.976 -12.321 1.00 0.11 C ATOM 942 C ASP A 58 15.175 -0.472 -10.911 1.00 45.54 C ATOM 943 O ASP A 58 14.025 -0.455 -10.474 1.00 31.23 O ATOM 944 CB ASP A 58 16.085 -2.374 -12.257 1.00 71.55 C ATOM 945 CG ASP A 58 15.793 -3.077 -10.946 1.00 1.31 C ATOM 946 OD1 ASP A 58 14.871 -3.918 -10.915 1.00 75.15 O ATOM 947 OD2 ASP A 58 16.488 -2.785 -9.950 1.00 72.52 O ATOM 0 H ASP A 58 17.202 -0.498 -13.402 1.00 35.33 H new ATOM 0 HA ASP A 58 14.530 -1.025 -12.873 1.00 0.11 H new ATOM 0 HB2 ASP A 58 15.701 -2.975 -13.081 1.00 71.55 H new ATOM 0 HB3 ASP A 58 17.164 -2.299 -12.393 1.00 71.55 H new ATOM 952 N VAL A 59 16.224 -0.061 -10.205 1.00 30.43 N ATOM 953 CA VAL A 59 16.079 0.444 -8.845 1.00 30.54 C ATOM 954 C VAL A 59 15.521 1.862 -8.842 1.00 12.23 C ATOM 955 O VAL A 59 15.645 2.591 -9.826 1.00 54.02 O ATOM 956 CB VAL A 59 17.424 0.431 -8.095 1.00 44.40 C ATOM 957 CG1 VAL A 59 18.342 1.521 -8.628 1.00 4.14 C ATOM 958 CG2 VAL A 59 17.202 0.594 -6.599 1.00 51.50 C ATOM 0 H VAL A 59 17.183 -0.068 -10.552 1.00 30.43 H new ATOM 0 HA VAL A 59 15.381 -0.219 -8.334 1.00 30.54 H new ATOM 0 HB VAL A 59 17.906 -0.532 -8.264 1.00 44.40 H new ATOM 0 HG11 VAL A 59 19.288 1.497 -8.087 1.00 4.14 H new ATOM 0 HG12 VAL A 59 18.527 1.354 -9.689 1.00 4.14 H new ATOM 0 HG13 VAL A 59 17.870 2.494 -8.491 1.00 4.14 H new ATOM 0 HG21 VAL A 59 18.163 0.582 -6.085 1.00 51.50 H new ATOM 0 HG22 VAL A 59 16.699 1.542 -6.407 1.00 51.50 H new ATOM 0 HG23 VAL A 59 16.584 -0.225 -6.231 1.00 51.50 H new ATOM 968 N ASP A 60 14.907 2.248 -7.729 1.00 35.12 N ATOM 969 CA ASP A 60 14.330 3.581 -7.596 1.00 60.13 C ATOM 970 C ASP A 60 15.271 4.506 -6.832 1.00 3.43 C ATOM 971 O ASP A 60 15.495 4.329 -5.634 1.00 33.41 O ATOM 972 CB ASP A 60 12.978 3.507 -6.885 1.00 23.34 C ATOM 973 CG ASP A 60 12.417 2.099 -6.854 1.00 33.22 C ATOM 974 OD1 ASP A 60 12.275 1.492 -7.936 1.00 52.45 O ATOM 975 OD2 ASP A 60 12.120 1.603 -5.747 1.00 11.11 O ATOM 0 H ASP A 60 14.796 1.657 -6.905 1.00 35.12 H new ATOM 0 HA ASP A 60 14.183 3.988 -8.597 1.00 60.13 H new ATOM 0 HB2 ASP A 60 13.087 3.874 -5.865 1.00 23.34 H new ATOM 0 HB3 ASP A 60 12.270 4.166 -7.387 1.00 23.34 H new ATOM 980 N ILE A 61 15.820 5.493 -7.532 1.00 45.10 N ATOM 981 CA ILE A 61 16.737 6.446 -6.919 1.00 23.01 C ATOM 982 C ILE A 61 16.155 7.855 -6.932 1.00 1.32 C ATOM 983 O ILE A 61 15.933 8.437 -7.994 1.00 62.11 O ATOM 984 CB ILE A 61 18.099 6.459 -7.637 1.00 65.24 C ATOM 985 CG1 ILE A 61 18.439 5.061 -8.159 1.00 74.02 C ATOM 986 CG2 ILE A 61 19.188 6.959 -6.700 1.00 23.43 C ATOM 987 CD1 ILE A 61 17.982 4.819 -9.581 1.00 13.41 C ATOM 0 H ILE A 61 15.646 5.654 -8.524 1.00 45.10 H new ATOM 0 HA ILE A 61 16.882 6.125 -5.888 1.00 23.01 H new ATOM 0 HB ILE A 61 18.038 7.139 -8.487 1.00 65.24 H new ATOM 0 HG12 ILE A 61 19.517 4.913 -8.102 1.00 74.02 H new ATOM 0 HG13 ILE A 61 17.981 4.317 -7.507 1.00 74.02 H new ATOM 0 HG21 ILE A 61 20.145 6.962 -7.223 1.00 23.43 H new ATOM 0 HG22 ILE A 61 18.950 7.971 -6.373 1.00 23.43 H new ATOM 0 HG23 ILE A 61 19.251 6.303 -5.832 1.00 23.43 H new ATOM 0 HD11 ILE A 61 18.256 3.809 -9.884 1.00 13.41 H new ATOM 0 HD12 ILE A 61 16.900 4.934 -9.640 1.00 13.41 H new ATOM 0 HD13 ILE A 61 18.460 5.540 -10.244 1.00 13.41 H new ATOM 999 N TYR A 62 15.912 8.400 -5.745 1.00 35.52 N ATOM 1000 CA TYR A 62 15.355 9.741 -5.619 1.00 15.11 C ATOM 1001 C TYR A 62 16.153 10.571 -4.618 1.00 32.32 C ATOM 1002 O TYR A 62 16.652 10.050 -3.619 1.00 74.33 O ATOM 1003 CB TYR A 62 13.889 9.669 -5.185 1.00 45.12 C ATOM 1004 CG TYR A 62 13.707 9.339 -3.721 1.00 51.10 C ATOM 1005 CD1 TYR A 62 13.355 10.324 -2.806 1.00 21.54 C ATOM 1006 CD2 TYR A 62 13.887 8.044 -3.253 1.00 22.43 C ATOM 1007 CE1 TYR A 62 13.188 10.027 -1.467 1.00 31.13 C ATOM 1008 CE2 TYR A 62 13.721 7.738 -1.916 1.00 33.40 C ATOM 1009 CZ TYR A 62 13.371 8.733 -1.027 1.00 23.41 C ATOM 1010 OH TYR A 62 13.206 8.432 0.306 1.00 51.13 O ATOM 0 H TYR A 62 16.092 7.933 -4.856 1.00 35.52 H new ATOM 0 HA TYR A 62 15.415 10.224 -6.594 1.00 15.11 H new ATOM 0 HB2 TYR A 62 13.409 10.625 -5.396 1.00 45.12 H new ATOM 0 HB3 TYR A 62 13.378 8.916 -5.785 1.00 45.12 H new ATOM 0 HD1 TYR A 62 13.210 11.338 -3.147 1.00 21.54 H new ATOM 0 HD2 TYR A 62 14.161 7.263 -3.946 1.00 22.43 H new ATOM 0 HE1 TYR A 62 12.916 10.804 -0.769 1.00 31.13 H new ATOM 0 HE2 TYR A 62 13.864 6.725 -1.569 1.00 33.40 H new ATOM 0 HH TYR A 62 12.613 7.657 0.395 1.00 51.13 H new ATOM 1020 N LEU A 63 16.269 11.865 -4.892 1.00 40.30 N ATOM 1021 CA LEU A 63 17.006 12.770 -4.016 1.00 72.31 C ATOM 1022 C LEU A 63 16.061 13.495 -3.064 1.00 11.35 C ATOM 1023 O LEU A 63 14.893 13.719 -3.382 1.00 10.22 O ATOM 1024 CB LEU A 63 17.792 13.786 -4.845 1.00 43.53 C ATOM 1025 CG LEU A 63 17.005 14.519 -5.932 1.00 72.24 C ATOM 1026 CD1 LEU A 63 17.284 16.013 -5.879 1.00 70.31 C ATOM 1027 CD2 LEU A 63 17.345 13.959 -7.306 1.00 42.40 C ATOM 0 H LEU A 63 15.862 12.312 -5.714 1.00 40.30 H new ATOM 0 HA LEU A 63 17.703 12.177 -3.424 1.00 72.31 H new ATOM 0 HB2 LEU A 63 18.215 14.528 -4.168 1.00 43.53 H new ATOM 0 HB3 LEU A 63 18.629 13.271 -5.316 1.00 43.53 H new ATOM 0 HG LEU A 63 15.942 14.363 -5.751 1.00 72.24 H new ATOM 0 HD11 LEU A 63 16.715 16.517 -6.660 1.00 70.31 H new ATOM 0 HD12 LEU A 63 16.989 16.404 -4.905 1.00 70.31 H new ATOM 0 HD13 LEU A 63 18.348 16.190 -6.034 1.00 70.31 H new ATOM 0 HD21 LEU A 63 16.776 14.492 -8.067 1.00 42.40 H new ATOM 0 HD22 LEU A 63 18.411 14.084 -7.496 1.00 42.40 H new ATOM 0 HD23 LEU A 63 17.092 12.899 -7.340 1.00 42.40 H new ATOM 1039 N VAL A 64 16.575 13.862 -1.894 1.00 12.41 N ATOM 1040 CA VAL A 64 15.778 14.566 -0.896 1.00 2.01 C ATOM 1041 C VAL A 64 16.484 15.831 -0.421 1.00 24.10 C ATOM 1042 O VAL A 64 17.702 15.843 -0.237 1.00 73.22 O ATOM 1043 CB VAL A 64 15.483 13.669 0.321 1.00 75.23 C ATOM 1044 CG1 VAL A 64 14.489 14.344 1.253 1.00 35.13 C ATOM 1045 CG2 VAL A 64 14.965 12.312 -0.132 1.00 33.11 C ATOM 0 H VAL A 64 17.539 13.683 -1.614 1.00 12.41 H new ATOM 0 HA VAL A 64 14.837 14.837 -1.376 1.00 2.01 H new ATOM 0 HB VAL A 64 16.412 13.514 0.870 1.00 75.23 H new ATOM 0 HG11 VAL A 64 14.293 13.696 2.107 1.00 35.13 H new ATOM 0 HG12 VAL A 64 14.903 15.290 1.603 1.00 35.13 H new ATOM 0 HG13 VAL A 64 13.558 14.531 0.718 1.00 35.13 H new ATOM 0 HG21 VAL A 64 14.762 11.691 0.740 1.00 33.11 H new ATOM 0 HG22 VAL A 64 14.047 12.446 -0.705 1.00 33.11 H new ATOM 0 HG23 VAL A 64 15.715 11.826 -0.757 1.00 33.11 H new ATOM 1055 N ASP A 65 15.713 16.894 -0.224 1.00 33.04 N ATOM 1056 CA ASP A 65 16.264 18.165 0.232 1.00 72.01 C ATOM 1057 C ASP A 65 15.832 18.462 1.664 1.00 10.34 C ATOM 1058 O ASP A 65 14.650 18.379 1.998 1.00 15.24 O ATOM 1059 CB ASP A 65 15.820 19.299 -0.694 1.00 33.24 C ATOM 1060 CG ASP A 65 14.455 19.047 -1.305 1.00 24.43 C ATOM 1061 OD1 ASP A 65 13.560 18.565 -0.579 1.00 71.24 O ATOM 1062 OD2 ASP A 65 14.283 19.332 -2.508 1.00 32.20 O ATOM 0 H ASP A 65 14.704 16.901 -0.373 1.00 33.04 H new ATOM 0 HA ASP A 65 17.351 18.091 0.208 1.00 72.01 H new ATOM 0 HB2 ASP A 65 15.797 20.234 -0.134 1.00 33.24 H new ATOM 0 HB3 ASP A 65 16.554 19.422 -1.490 1.00 33.24 H new ATOM 1067 N THR A 66 16.799 18.809 2.509 1.00 73.51 N ATOM 1068 CA THR A 66 16.519 19.116 3.906 1.00 64.11 C ATOM 1069 C THR A 66 15.529 20.268 4.028 1.00 75.21 C ATOM 1070 O THR A 66 14.879 20.433 5.060 1.00 14.41 O ATOM 1071 CB THR A 66 17.807 19.478 4.670 1.00 41.33 C ATOM 1072 OG1 THR A 66 18.379 20.673 4.127 1.00 51.54 O ATOM 1073 CG2 THR A 66 18.819 18.345 4.592 1.00 2.23 C ATOM 0 H THR A 66 17.783 18.884 2.250 1.00 73.51 H new ATOM 0 HA THR A 66 16.084 18.219 4.346 1.00 64.11 H new ATOM 0 HB THR A 66 17.549 19.642 5.716 1.00 41.33 H new ATOM 0 HG1 THR A 66 18.572 21.302 4.853 1.00 51.54 H new ATOM 0 HG21 THR A 66 19.720 18.624 5.139 1.00 2.23 H new ATOM 0 HG22 THR A 66 18.391 17.444 5.032 1.00 2.23 H new ATOM 0 HG23 THR A 66 19.072 18.154 3.549 1.00 2.23 H new ATOM 1081 N SER A 67 15.417 21.062 2.968 1.00 63.55 N ATOM 1082 CA SER A 67 14.507 22.201 2.957 1.00 30.44 C ATOM 1083 C SER A 67 13.059 21.740 3.100 1.00 43.44 C ATOM 1084 O SER A 67 12.172 22.532 3.421 1.00 71.41 O ATOM 1085 CB SER A 67 14.674 23.003 1.666 1.00 65.14 C ATOM 1086 OG SER A 67 14.838 24.383 1.940 1.00 1.52 O ATOM 0 H SER A 67 15.946 20.937 2.105 1.00 63.55 H new ATOM 0 HA SER A 67 14.753 22.839 3.806 1.00 30.44 H new ATOM 0 HB2 SER A 67 15.538 22.634 1.114 1.00 65.14 H new ATOM 0 HB3 SER A 67 13.802 22.857 1.028 1.00 65.14 H new ATOM 0 HG SER A 67 14.944 24.873 1.098 1.00 1.52 H new ATOM 1092 N THR A 68 12.827 20.454 2.858 1.00 64.14 N ATOM 1093 CA THR A 68 11.489 19.887 2.957 1.00 75.32 C ATOM 1094 C THR A 68 11.352 19.013 4.198 1.00 22.14 C ATOM 1095 O THR A 68 10.251 18.809 4.707 1.00 20.23 O ATOM 1096 CB THR A 68 11.140 19.049 1.712 1.00 33.23 C ATOM 1097 OG1 THR A 68 12.127 18.030 1.515 1.00 52.40 O ATOM 1098 CG2 THR A 68 11.056 19.928 0.474 1.00 44.12 C ATOM 0 H THR A 68 13.550 19.785 2.592 1.00 64.14 H new ATOM 0 HA THR A 68 10.796 20.725 3.028 1.00 75.32 H new ATOM 0 HB THR A 68 10.167 18.585 1.874 1.00 33.23 H new ATOM 0 HG1 THR A 68 12.869 18.391 0.987 1.00 52.40 H new ATOM 0 HG21 THR A 68 10.809 19.314 -0.392 1.00 44.12 H new ATOM 0 HG22 THR A 68 10.283 20.684 0.616 1.00 44.12 H new ATOM 0 HG23 THR A 68 12.016 20.417 0.309 1.00 44.12 H new ATOM 1106 N ASN A 69 12.479 18.500 4.682 1.00 70.54 N ATOM 1107 CA ASN A 69 12.485 17.647 5.865 1.00 74.01 C ATOM 1108 C ASN A 69 13.675 17.971 6.763 1.00 71.52 C ATOM 1109 O ASN A 69 14.579 17.157 6.954 1.00 44.33 O ATOM 1110 CB ASN A 69 12.525 16.173 5.457 1.00 61.02 C ATOM 1111 CG ASN A 69 13.777 15.824 4.675 1.00 31.43 C ATOM 1112 OD1 ASN A 69 14.412 16.693 4.079 1.00 64.13 O ATOM 1113 ND2 ASN A 69 14.137 14.545 4.675 1.00 14.32 N ATOM 0 H ASN A 69 13.400 18.660 4.273 1.00 70.54 H new ATOM 0 HA ASN A 69 11.569 17.837 6.424 1.00 74.01 H new ATOM 0 HB2 ASN A 69 12.472 15.550 6.350 1.00 61.02 H new ATOM 0 HB3 ASN A 69 11.647 15.942 4.854 1.00 61.02 H new ATOM 0 HD21 ASN A 69 14.971 14.250 4.167 1.00 14.32 H new ATOM 0 HD22 ASN A 69 13.580 13.858 5.183 1.00 14.32 H new ATOM 1120 N PRO A 70 13.676 19.187 7.328 1.00 20.35 N ATOM 1121 CA PRO A 70 14.748 19.646 8.217 1.00 62.44 C ATOM 1122 C PRO A 70 14.745 18.915 9.555 1.00 14.32 C ATOM 1123 O PRO A 70 15.795 18.516 10.057 1.00 53.01 O ATOM 1124 CB PRO A 70 14.432 21.130 8.416 1.00 2.04 C ATOM 1125 CG PRO A 70 12.964 21.239 8.187 1.00 43.14 C ATOM 1126 CD PRO A 70 12.630 20.207 7.145 1.00 4.21 C ATOM 0 HA PRO A 70 15.736 19.460 7.795 1.00 62.44 H new ATOM 0 HB2 PRO A 70 14.702 21.461 9.419 1.00 2.04 H new ATOM 0 HB3 PRO A 70 14.989 21.751 7.715 1.00 2.04 H new ATOM 0 HG2 PRO A 70 12.411 21.057 9.108 1.00 43.14 H new ATOM 0 HG3 PRO A 70 12.695 22.239 7.846 1.00 43.14 H new ATOM 0 HD2 PRO A 70 11.633 19.792 7.295 1.00 4.21 H new ATOM 0 HD3 PRO A 70 12.651 20.629 6.140 1.00 4.21 H new ATOM 1134 N GLU A 71 13.557 18.744 10.128 1.00 50.23 N ATOM 1135 CA GLU A 71 13.419 18.062 11.409 1.00 74.22 C ATOM 1136 C GLU A 71 13.737 16.576 11.271 1.00 63.21 C ATOM 1137 O GLU A 71 14.099 15.915 12.244 1.00 35.21 O ATOM 1138 CB GLU A 71 12.002 18.242 11.957 1.00 35.13 C ATOM 1139 CG GLU A 71 11.805 19.541 12.720 1.00 32.15 C ATOM 1140 CD GLU A 71 10.797 19.409 13.846 1.00 3.51 C ATOM 1141 OE1 GLU A 71 11.155 18.839 14.898 1.00 60.21 O ATOM 1142 OE2 GLU A 71 9.652 19.876 13.676 1.00 51.45 O ATOM 0 H GLU A 71 12.678 19.068 9.725 1.00 50.23 H new ATOM 0 HA GLU A 71 14.130 18.505 12.106 1.00 74.22 H new ATOM 0 HB2 GLU A 71 11.294 18.206 11.129 1.00 35.13 H new ATOM 0 HB3 GLU A 71 11.767 17.405 12.614 1.00 35.13 H new ATOM 0 HG2 GLU A 71 12.761 19.866 13.130 1.00 32.15 H new ATOM 0 HG3 GLU A 71 11.474 20.317 12.030 1.00 32.15 H new ATOM 1149 N ALA A 72 13.600 16.058 10.055 1.00 61.42 N ATOM 1150 CA ALA A 72 13.874 14.651 9.788 1.00 5.14 C ATOM 1151 C ALA A 72 15.289 14.277 10.217 1.00 63.01 C ATOM 1152 O ALA A 72 15.576 13.113 10.496 1.00 20.30 O ATOM 1153 CB ALA A 72 13.669 14.344 8.312 1.00 23.35 C ATOM 0 H ALA A 72 13.301 16.592 9.239 1.00 61.42 H new ATOM 0 HA ALA A 72 13.175 14.053 10.372 1.00 5.14 H new ATOM 0 HB1 ALA A 72 13.877 13.290 8.127 1.00 23.35 H new ATOM 0 HB2 ALA A 72 12.638 14.564 8.034 1.00 23.35 H new ATOM 0 HB3 ALA A 72 14.345 14.957 7.716 1.00 23.35 H new ATOM 1159 N ARG A 73 16.170 15.271 10.266 1.00 0.03 N ATOM 1160 CA ARG A 73 17.556 15.045 10.659 1.00 52.20 C ATOM 1161 C ARG A 73 17.669 14.857 12.169 1.00 2.40 C ATOM 1162 O ARG A 73 18.161 13.833 12.641 1.00 74.21 O ATOM 1163 CB ARG A 73 18.432 16.217 10.213 1.00 40.12 C ATOM 1164 CG ARG A 73 19.414 15.858 9.110 1.00 71.14 C ATOM 1165 CD ARG A 73 20.781 16.476 9.358 1.00 61.13 C ATOM 1166 NE ARG A 73 20.694 17.909 9.625 1.00 34.12 N ATOM 1167 CZ ARG A 73 20.514 18.824 8.679 1.00 62.43 C ATOM 1168 NH1 ARG A 73 20.403 18.456 7.410 1.00 43.24 N ATOM 1169 NH2 ARG A 73 20.445 20.109 9.001 1.00 32.11 N ATOM 0 H ARG A 73 15.949 16.240 10.039 1.00 0.03 H new ATOM 0 HA ARG A 73 17.903 14.135 10.170 1.00 52.20 H new ATOM 0 HB2 ARG A 73 17.791 17.028 9.867 1.00 40.12 H new ATOM 0 HB3 ARG A 73 18.986 16.593 11.073 1.00 40.12 H new ATOM 0 HG2 ARG A 73 19.510 14.774 9.045 1.00 71.14 H new ATOM 0 HG3 ARG A 73 19.027 16.202 8.151 1.00 71.14 H new ATOM 0 HD2 ARG A 73 21.256 15.978 10.203 1.00 61.13 H new ATOM 0 HD3 ARG A 73 21.418 16.307 8.490 1.00 61.13 H new ATOM 0 HE ARG A 73 20.776 18.225 10.591 1.00 34.12 H new ATOM 0 HH11 ARG A 73 20.456 17.469 7.159 1.00 43.24 H new ATOM 0 HH12 ARG A 73 20.265 19.160 6.685 1.00 43.24 H new ATOM 0 HH21 ARG A 73 20.530 20.396 9.976 1.00 32.11 H new ATOM 0 HH22 ARG A 73 20.307 20.810 8.273 1.00 32.11 H new ATOM 1183 N GLU A 74 17.212 15.854 12.920 1.00 13.23 N ATOM 1184 CA GLU A 74 17.264 15.798 14.376 1.00 14.44 C ATOM 1185 C GLU A 74 16.527 14.569 14.900 1.00 12.14 C ATOM 1186 O GLU A 74 16.794 14.097 16.005 1.00 32.24 O ATOM 1187 CB GLU A 74 16.656 17.067 14.980 1.00 72.54 C ATOM 1188 CG GLU A 74 17.199 17.406 16.357 1.00 3.22 C ATOM 1189 CD GLU A 74 16.402 18.497 17.046 1.00 22.22 C ATOM 1190 OE1 GLU A 74 15.714 19.263 16.340 1.00 13.44 O ATOM 1191 OE2 GLU A 74 16.467 18.584 18.290 1.00 32.11 O ATOM 0 H GLU A 74 16.802 16.709 12.545 1.00 13.23 H new ATOM 0 HA GLU A 74 18.310 15.728 14.674 1.00 14.44 H new ATOM 0 HB2 GLU A 74 16.844 17.905 14.308 1.00 72.54 H new ATOM 0 HB3 GLU A 74 15.575 16.946 15.045 1.00 72.54 H new ATOM 0 HG2 GLU A 74 17.192 16.510 16.977 1.00 3.22 H new ATOM 0 HG3 GLU A 74 18.238 17.723 16.266 1.00 3.22 H new ATOM 1198 N TRP A 75 15.599 14.057 14.100 1.00 51.41 N ATOM 1199 CA TRP A 75 14.823 12.883 14.483 1.00 55.54 C ATOM 1200 C TRP A 75 15.737 11.746 14.923 1.00 61.22 C ATOM 1201 O TRP A 75 15.462 11.062 15.909 1.00 71.42 O ATOM 1202 CB TRP A 75 13.943 12.426 13.318 1.00 44.05 C ATOM 1203 CG TRP A 75 12.716 11.685 13.755 1.00 64.43 C ATOM 1204 CD1 TRP A 75 11.490 12.219 14.028 1.00 12.01 C ATOM 1205 CD2 TRP A 75 12.599 10.274 13.970 1.00 11.14 C ATOM 1206 NE1 TRP A 75 10.617 11.226 14.401 1.00 73.31 N ATOM 1207 CE2 TRP A 75 11.272 10.023 14.373 1.00 43.33 C ATOM 1208 CE3 TRP A 75 13.484 9.198 13.861 1.00 1.40 C ATOM 1209 CZ2 TRP A 75 10.813 8.742 14.666 1.00 4.00 C ATOM 1210 CZ3 TRP A 75 13.027 7.927 14.153 1.00 41.41 C ATOM 1211 CH2 TRP A 75 11.702 7.707 14.551 1.00 53.53 C ATOM 0 H TRP A 75 15.365 14.436 13.182 1.00 51.41 H new ATOM 0 HA TRP A 75 14.186 13.157 15.324 1.00 55.54 H new ATOM 0 HB2 TRP A 75 13.644 13.297 12.735 1.00 44.05 H new ATOM 0 HB3 TRP A 75 14.529 11.786 12.658 1.00 44.05 H new ATOM 0 HD1 TRP A 75 11.243 13.268 13.961 1.00 12.01 H new ATOM 0 HE1 TRP A 75 9.639 11.362 14.657 1.00 73.31 H new ATOM 0 HE3 TRP A 75 14.507 9.357 13.554 1.00 1.40 H new ATOM 0 HZ2 TRP A 75 9.792 8.571 14.973 1.00 4.00 H new ATOM 0 HZ3 TRP A 75 13.703 7.089 14.073 1.00 41.41 H new ATOM 0 HH2 TRP A 75 11.375 6.701 14.771 1.00 53.53 H new ATOM 1222 N TYR A 76 16.825 11.549 14.187 1.00 62.22 N ATOM 1223 CA TYR A 76 17.779 10.492 14.501 1.00 63.22 C ATOM 1224 C TYR A 76 19.198 11.046 14.586 1.00 40.31 C ATOM 1225 O TYR A 76 20.172 10.294 14.579 1.00 54.34 O ATOM 1226 CB TYR A 76 17.714 9.387 13.445 1.00 60.01 C ATOM 1227 CG TYR A 76 18.446 8.125 13.843 1.00 15.01 C ATOM 1228 CD1 TYR A 76 18.160 7.482 15.041 1.00 33.22 C ATOM 1229 CD2 TYR A 76 19.423 7.576 13.022 1.00 10.51 C ATOM 1230 CE1 TYR A 76 18.826 6.329 15.410 1.00 71.14 C ATOM 1231 CE2 TYR A 76 20.093 6.423 13.382 1.00 41.33 C ATOM 1232 CZ TYR A 76 19.791 5.803 14.576 1.00 2.33 C ATOM 1233 OH TYR A 76 20.458 4.655 14.939 1.00 54.22 O ATOM 0 H TYR A 76 17.068 12.107 13.369 1.00 62.22 H new ATOM 0 HA TYR A 76 17.513 10.074 15.472 1.00 63.22 H new ATOM 0 HB2 TYR A 76 16.670 9.145 13.249 1.00 60.01 H new ATOM 0 HB3 TYR A 76 18.135 9.762 12.512 1.00 60.01 H new ATOM 0 HD1 TYR A 76 17.404 7.891 15.695 1.00 33.22 H new ATOM 0 HD2 TYR A 76 19.663 8.059 12.086 1.00 10.51 H new ATOM 0 HE1 TYR A 76 18.593 5.843 16.346 1.00 71.14 H new ATOM 0 HE2 TYR A 76 20.849 6.009 12.732 1.00 41.33 H new ATOM 0 HH TYR A 76 21.104 4.417 14.241 1.00 54.22 H new ATOM 1243 N ASN A 77 19.306 12.368 14.667 1.00 13.54 N ATOM 1244 CA ASN A 77 20.605 13.026 14.754 1.00 33.42 C ATOM 1245 C ASN A 77 21.533 12.545 13.643 1.00 53.44 C ATOM 1246 O ASN A 77 22.248 11.556 13.802 1.00 73.55 O ATOM 1247 CB ASN A 77 21.244 12.759 16.118 1.00 2.14 C ATOM 1248 CG ASN A 77 22.715 13.129 16.150 1.00 55.20 C ATOM 1249 OD1 ASN A 77 23.558 12.333 16.562 1.00 71.51 O ATOM 1250 ND2 ASN A 77 23.028 14.344 15.714 1.00 62.42 N ATOM 0 H ASN A 77 18.509 13.005 14.674 1.00 13.54 H new ATOM 0 HA ASN A 77 20.450 14.098 14.636 1.00 33.42 H new ATOM 0 HB2 ASN A 77 20.713 13.326 16.882 1.00 2.14 H new ATOM 0 HB3 ASN A 77 21.132 11.704 16.368 1.00 2.14 H new ATOM 0 HD21 ASN A 77 24.001 14.650 15.712 1.00 62.42 H new ATOM 0 HD22 ASN A 77 22.295 14.971 15.381 1.00 62.42 H new ATOM 1257 N ILE A 78 21.516 13.253 12.518 1.00 0.44 N ATOM 1258 CA ILE A 78 22.357 12.901 11.381 1.00 30.53 C ATOM 1259 C ILE A 78 23.641 13.723 11.371 1.00 21.11 C ATOM 1260 O ILE A 78 23.608 14.946 11.229 1.00 20.23 O ATOM 1261 CB ILE A 78 21.616 13.109 10.047 1.00 5.22 C ATOM 1262 CG1 ILE A 78 20.694 11.922 9.759 1.00 5.55 C ATOM 1263 CG2 ILE A 78 22.612 13.300 8.913 1.00 42.41 C ATOM 1264 CD1 ILE A 78 21.436 10.627 9.513 1.00 51.35 C ATOM 0 H ILE A 78 20.929 14.074 12.370 1.00 0.44 H new ATOM 0 HA ILE A 78 22.606 11.845 11.488 1.00 30.53 H new ATOM 0 HB ILE A 78 21.005 14.008 10.124 1.00 5.22 H new ATOM 0 HG12 ILE A 78 20.014 11.788 10.600 1.00 5.55 H new ATOM 0 HG13 ILE A 78 20.081 12.151 8.887 1.00 5.55 H new ATOM 0 HG21 ILE A 78 22.074 13.446 7.977 1.00 42.41 H new ATOM 0 HG22 ILE A 78 23.231 14.174 9.116 1.00 42.41 H new ATOM 0 HG23 ILE A 78 23.246 12.417 8.833 1.00 42.41 H new ATOM 0 HD11 ILE A 78 20.720 9.829 9.316 1.00 51.35 H new ATOM 0 HD12 ILE A 78 22.096 10.743 8.653 1.00 51.35 H new ATOM 0 HD13 ILE A 78 22.028 10.374 10.393 1.00 51.35 H new ATOM 1276 N THR A 79 24.774 13.043 11.521 1.00 51.31 N ATOM 1277 CA THR A 79 26.070 13.710 11.528 1.00 31.03 C ATOM 1278 C THR A 79 26.582 13.932 10.110 1.00 51.42 C ATOM 1279 O THR A 79 27.187 14.962 9.812 1.00 13.44 O ATOM 1280 CB THR A 79 27.115 12.899 12.318 1.00 75.44 C ATOM 1281 OG1 THR A 79 27.052 11.519 11.939 1.00 54.11 O ATOM 1282 CG2 THR A 79 26.882 13.030 13.815 1.00 25.44 C ATOM 0 H THR A 79 24.820 12.031 11.639 1.00 51.31 H new ATOM 0 HA THR A 79 25.926 14.675 12.014 1.00 31.03 H new ATOM 0 HB THR A 79 28.103 13.295 12.084 1.00 75.44 H new ATOM 0 HG1 THR A 79 27.720 11.010 12.444 1.00 54.11 H new ATOM 0 HG21 THR A 79 27.632 12.449 14.352 1.00 25.44 H new ATOM 0 HG22 THR A 79 26.959 14.078 14.105 1.00 25.44 H new ATOM 0 HG23 THR A 79 25.888 12.657 14.063 1.00 25.44 H new ATOM 1290 N SER A 80 26.335 12.960 9.237 1.00 2.53 N ATOM 1291 CA SER A 80 26.774 13.049 7.850 1.00 45.33 C ATOM 1292 C SER A 80 25.595 13.330 6.923 1.00 1.15 C ATOM 1293 O SER A 80 24.595 12.613 6.938 1.00 72.41 O ATOM 1294 CB SER A 80 27.471 11.754 7.429 1.00 34.50 C ATOM 1295 OG SER A 80 27.787 10.955 8.556 1.00 11.34 O ATOM 0 H SER A 80 25.833 12.102 9.466 1.00 2.53 H new ATOM 0 HA SER A 80 27.480 13.875 7.771 1.00 45.33 H new ATOM 0 HB2 SER A 80 26.826 11.194 6.752 1.00 34.50 H new ATOM 0 HB3 SER A 80 28.382 11.990 6.880 1.00 34.50 H new ATOM 0 HG SER A 80 28.230 10.133 8.260 1.00 11.34 H new ATOM 1301 N VAL A 81 25.720 14.380 6.118 1.00 42.20 N ATOM 1302 CA VAL A 81 24.666 14.757 5.184 1.00 63.24 C ATOM 1303 C VAL A 81 24.618 13.802 3.996 1.00 35.12 C ATOM 1304 O VAL A 81 23.603 13.159 3.726 1.00 53.54 O ATOM 1305 CB VAL A 81 24.863 16.194 4.665 1.00 62.30 C ATOM 1306 CG1 VAL A 81 23.583 16.999 4.824 1.00 12.23 C ATOM 1307 CG2 VAL A 81 26.020 16.867 5.388 1.00 32.12 C ATOM 0 H VAL A 81 26.541 14.985 6.094 1.00 42.20 H new ATOM 0 HA VAL A 81 23.724 14.702 5.730 1.00 63.24 H new ATOM 0 HB VAL A 81 25.105 16.149 3.603 1.00 62.30 H new ATOM 0 HG11 VAL A 81 23.741 18.011 4.452 1.00 12.23 H new ATOM 0 HG12 VAL A 81 22.782 16.525 4.256 1.00 12.23 H new ATOM 0 HG13 VAL A 81 23.307 17.039 5.878 1.00 12.23 H new ATOM 0 HG21 VAL A 81 26.145 17.881 5.009 1.00 32.12 H new ATOM 0 HG22 VAL A 81 25.810 16.902 6.457 1.00 32.12 H new ATOM 0 HG23 VAL A 81 26.935 16.300 5.217 1.00 32.12 H new ATOM 1317 N PRO A 82 25.740 13.704 3.269 1.00 43.21 N ATOM 1318 CA PRO A 82 25.852 12.829 2.098 1.00 33.24 C ATOM 1319 C PRO A 82 25.852 11.352 2.477 1.00 31.32 C ATOM 1320 O PRO A 82 26.898 10.702 2.487 1.00 3.32 O ATOM 1321 CB PRO A 82 27.198 13.224 1.487 1.00 50.14 C ATOM 1322 CG PRO A 82 27.985 13.775 2.626 1.00 74.14 C ATOM 1323 CD PRO A 82 26.988 14.440 3.534 1.00 52.53 C ATOM 0 HA PRO A 82 25.009 12.948 1.418 1.00 33.24 H new ATOM 0 HB2 PRO A 82 27.697 12.364 1.040 1.00 50.14 H new ATOM 0 HB3 PRO A 82 27.072 13.965 0.698 1.00 50.14 H new ATOM 0 HG2 PRO A 82 28.522 12.983 3.149 1.00 74.14 H new ATOM 0 HG3 PRO A 82 28.731 14.489 2.276 1.00 74.14 H new ATOM 0 HD2 PRO A 82 27.285 14.364 4.580 1.00 52.53 H new ATOM 0 HD3 PRO A 82 26.884 15.501 3.308 1.00 52.53 H new ATOM 1331 N THR A 83 24.672 10.825 2.788 1.00 34.14 N ATOM 1332 CA THR A 83 24.536 9.425 3.168 1.00 31.45 C ATOM 1333 C THR A 83 23.595 8.687 2.223 1.00 34.01 C ATOM 1334 O THR A 83 22.848 9.307 1.465 1.00 3.12 O ATOM 1335 CB THR A 83 24.013 9.282 4.610 1.00 33.12 C ATOM 1336 OG1 THR A 83 24.221 10.502 5.330 1.00 52.31 O ATOM 1337 CG2 THR A 83 24.712 8.138 5.329 1.00 71.11 C ATOM 0 H THR A 83 23.796 11.348 2.784 1.00 34.14 H new ATOM 0 HA THR A 83 25.530 8.983 3.104 1.00 31.45 H new ATOM 0 HB THR A 83 22.946 9.064 4.565 1.00 33.12 H new ATOM 0 HG1 THR A 83 23.487 11.123 5.141 1.00 52.31 H new ATOM 0 HG21 THR A 83 24.326 8.057 6.345 1.00 71.11 H new ATOM 0 HG22 THR A 83 24.527 7.206 4.795 1.00 71.11 H new ATOM 0 HG23 THR A 83 25.784 8.331 5.363 1.00 71.11 H new ATOM 1345 N PHE A 84 23.634 7.360 2.273 1.00 72.40 N ATOM 1346 CA PHE A 84 22.784 6.537 1.420 1.00 12.02 C ATOM 1347 C PHE A 84 22.149 5.402 2.218 1.00 33.10 C ATOM 1348 O PHE A 84 22.837 4.493 2.682 1.00 4.12 O ATOM 1349 CB PHE A 84 23.595 5.965 0.255 1.00 14.33 C ATOM 1350 CG PHE A 84 23.562 6.824 -0.976 1.00 53.25 C ATOM 1351 CD1 PHE A 84 24.208 8.050 -1.000 1.00 74.31 C ATOM 1352 CD2 PHE A 84 22.884 6.406 -2.111 1.00 3.14 C ATOM 1353 CE1 PHE A 84 24.180 8.842 -2.132 1.00 53.31 C ATOM 1354 CE2 PHE A 84 22.853 7.194 -3.246 1.00 3.24 C ATOM 1355 CZ PHE A 84 23.501 8.414 -3.256 1.00 13.30 C ATOM 0 H PHE A 84 24.245 6.831 2.895 1.00 72.40 H new ATOM 0 HA PHE A 84 21.989 7.169 1.024 1.00 12.02 H new ATOM 0 HB2 PHE A 84 24.630 5.837 0.571 1.00 14.33 H new ATOM 0 HB3 PHE A 84 23.212 4.975 0.008 1.00 14.33 H new ATOM 0 HD1 PHE A 84 24.740 8.390 -0.124 1.00 74.31 H new ATOM 0 HD2 PHE A 84 22.374 5.454 -2.108 1.00 3.14 H new ATOM 0 HE1 PHE A 84 24.689 9.795 -2.138 1.00 53.31 H new ATOM 0 HE2 PHE A 84 22.323 6.856 -4.124 1.00 3.24 H new ATOM 0 HZ PHE A 84 23.477 9.032 -4.141 1.00 13.30 H new ATOM 1365 N VAL A 85 20.830 5.462 2.374 1.00 71.21 N ATOM 1366 CA VAL A 85 20.101 4.440 3.115 1.00 75.31 C ATOM 1367 C VAL A 85 19.189 3.638 2.193 1.00 53.12 C ATOM 1368 O VAL A 85 18.455 4.205 1.382 1.00 5.22 O ATOM 1369 CB VAL A 85 19.255 5.060 4.243 1.00 54.24 C ATOM 1370 CG1 VAL A 85 18.922 4.016 5.297 1.00 23.14 C ATOM 1371 CG2 VAL A 85 19.981 6.244 4.863 1.00 51.21 C ATOM 0 H VAL A 85 20.245 6.208 1.997 1.00 71.21 H new ATOM 0 HA VAL A 85 20.846 3.775 3.553 1.00 75.31 H new ATOM 0 HB VAL A 85 18.319 5.420 3.816 1.00 54.24 H new ATOM 0 HG11 VAL A 85 18.324 4.473 6.086 1.00 23.14 H new ATOM 0 HG12 VAL A 85 18.358 3.203 4.839 1.00 23.14 H new ATOM 0 HG13 VAL A 85 19.845 3.622 5.723 1.00 23.14 H new ATOM 0 HG21 VAL A 85 19.369 6.670 5.658 1.00 51.21 H new ATOM 0 HG22 VAL A 85 20.933 5.911 5.276 1.00 51.21 H new ATOM 0 HG23 VAL A 85 20.162 7.000 4.099 1.00 51.21 H new ATOM 1381 N ILE A 86 19.239 2.317 2.322 1.00 22.35 N ATOM 1382 CA ILE A 86 18.416 1.437 1.502 1.00 43.12 C ATOM 1383 C ILE A 86 17.299 0.804 2.324 1.00 23.23 C ATOM 1384 O ILE A 86 17.556 0.116 3.312 1.00 43.31 O ATOM 1385 CB ILE A 86 19.258 0.321 0.854 1.00 14.32 C ATOM 1386 CG1 ILE A 86 20.645 0.849 0.484 1.00 63.32 C ATOM 1387 CG2 ILE A 86 18.550 -0.231 -0.374 1.00 14.21 C ATOM 1388 CD1 ILE A 86 21.550 -0.203 -0.120 1.00 10.43 C ATOM 0 H ILE A 86 19.841 1.832 2.987 1.00 22.35 H new ATOM 0 HA ILE A 86 17.980 2.054 0.717 1.00 43.12 H new ATOM 0 HB ILE A 86 19.378 -0.488 1.574 1.00 14.32 H new ATOM 0 HG12 ILE A 86 20.535 1.672 -0.223 1.00 63.32 H new ATOM 0 HG13 ILE A 86 21.120 1.257 1.376 1.00 63.32 H new ATOM 0 HG21 ILE A 86 19.157 -1.018 -0.821 1.00 14.21 H new ATOM 0 HG22 ILE A 86 17.582 -0.640 -0.083 1.00 14.21 H new ATOM 0 HG23 ILE A 86 18.403 0.569 -1.099 1.00 14.21 H new ATOM 0 HD11 ILE A 86 22.516 0.242 -0.358 1.00 10.43 H new ATOM 0 HD12 ILE A 86 21.690 -1.015 0.593 1.00 10.43 H new ATOM 0 HD13 ILE A 86 21.096 -0.594 -1.031 1.00 10.43 H new ATOM 1400 N GLU A 87 16.059 1.039 1.908 1.00 12.53 N ATOM 1401 CA GLU A 87 14.902 0.491 2.607 1.00 64.33 C ATOM 1402 C GLU A 87 14.026 -0.318 1.655 1.00 35.22 C ATOM 1403 O GLU A 87 13.834 0.057 0.498 1.00 22.22 O ATOM 1404 CB GLU A 87 14.082 1.615 3.243 1.00 71.24 C ATOM 1405 CG GLU A 87 13.263 2.412 2.241 1.00 1.02 C ATOM 1406 CD GLU A 87 11.890 1.814 2.002 1.00 25.31 C ATOM 1407 OE1 GLU A 87 11.339 2.017 0.900 1.00 42.10 O ATOM 1408 OE2 GLU A 87 11.368 1.143 2.916 1.00 35.12 O ATOM 0 H GLU A 87 15.829 1.605 1.091 1.00 12.53 H new ATOM 0 HA GLU A 87 15.264 -0.172 3.393 1.00 64.33 H new ATOM 0 HB2 GLU A 87 13.412 1.187 3.989 1.00 71.24 H new ATOM 0 HB3 GLU A 87 14.755 2.292 3.769 1.00 71.24 H new ATOM 0 HG2 GLU A 87 13.152 3.435 2.600 1.00 1.02 H new ATOM 0 HG3 GLU A 87 13.803 2.463 1.295 1.00 1.02 H new ATOM 1415 N LYS A 88 13.495 -1.431 2.151 1.00 61.12 N ATOM 1416 CA LYS A 88 12.638 -2.294 1.347 1.00 33.43 C ATOM 1417 C LYS A 88 11.217 -2.319 1.902 1.00 40.21 C ATOM 1418 O LYS A 88 10.769 -3.329 2.443 1.00 52.30 O ATOM 1419 CB LYS A 88 13.205 -3.715 1.306 1.00 71.20 C ATOM 1420 CG LYS A 88 12.376 -4.677 0.473 1.00 72.13 C ATOM 1421 CD LYS A 88 13.225 -5.390 -0.566 1.00 43.33 C ATOM 1422 CE LYS A 88 13.649 -6.770 -0.088 1.00 5.20 C ATOM 1423 NZ LYS A 88 15.123 -6.961 -0.184 1.00 21.41 N ATOM 0 H LYS A 88 13.643 -1.756 3.106 1.00 61.12 H new ATOM 0 HA LYS A 88 12.607 -1.892 0.334 1.00 33.43 H new ATOM 0 HB2 LYS A 88 14.218 -3.681 0.906 1.00 71.20 H new ATOM 0 HB3 LYS A 88 13.277 -4.098 2.324 1.00 71.20 H new ATOM 0 HG2 LYS A 88 11.905 -5.412 1.126 1.00 72.13 H new ATOM 0 HG3 LYS A 88 11.574 -4.131 -0.024 1.00 72.13 H new ATOM 0 HD2 LYS A 88 12.663 -5.483 -1.495 1.00 43.33 H new ATOM 0 HD3 LYS A 88 14.110 -4.793 -0.787 1.00 43.33 H new ATOM 0 HE2 LYS A 88 13.331 -6.910 0.945 1.00 5.20 H new ATOM 0 HE3 LYS A 88 13.144 -7.531 -0.683 1.00 5.20 H new ATOM 0 HZ1 LYS A 88 15.370 -7.920 0.135 1.00 21.41 H new ATOM 0 HZ2 LYS A 88 15.426 -6.836 -1.171 1.00 21.41 H new ATOM 0 HZ3 LYS A 88 15.604 -6.261 0.417 1.00 21.41 H new ATOM 1437 N GLY A 89 10.513 -1.200 1.762 1.00 15.33 N ATOM 1438 CA GLY A 89 9.150 -1.115 2.253 1.00 35.13 C ATOM 1439 C GLY A 89 9.013 -1.620 3.676 1.00 63.30 C ATOM 1440 O GLY A 89 8.036 -2.287 4.015 1.00 42.43 O ATOM 0 H GLY A 89 10.862 -0.351 1.317 1.00 15.33 H new ATOM 0 HA2 GLY A 89 8.814 -0.079 2.204 1.00 35.13 H new ATOM 0 HA3 GLY A 89 8.496 -1.694 1.601 1.00 35.13 H new ATOM 1444 N GLY A 90 9.998 -1.304 4.512 1.00 51.23 N ATOM 1445 CA GLY A 90 9.965 -1.740 5.895 1.00 3.15 C ATOM 1446 C GLY A 90 11.013 -1.049 6.746 1.00 60.31 C ATOM 1447 O GLY A 90 10.771 0.030 7.284 1.00 13.25 O ATOM 0 H GLY A 90 10.818 -0.754 4.255 1.00 51.23 H new ATOM 0 HA2 GLY A 90 8.977 -1.544 6.311 1.00 3.15 H new ATOM 0 HA3 GLY A 90 10.121 -2.818 5.937 1.00 3.15 H new ATOM 1451 N GLU A 91 12.180 -1.674 6.868 1.00 60.21 N ATOM 1452 CA GLU A 91 13.267 -1.113 7.661 1.00 10.15 C ATOM 1453 C GLU A 91 14.560 -1.060 6.853 1.00 61.31 C ATOM 1454 O GLU A 91 14.696 -1.700 5.810 1.00 22.40 O ATOM 1455 CB GLU A 91 13.480 -1.939 8.932 1.00 61.14 C ATOM 1456 CG GLU A 91 13.002 -3.376 8.810 1.00 35.15 C ATOM 1457 CD GLU A 91 11.519 -3.523 9.094 1.00 22.22 C ATOM 1458 OE1 GLU A 91 10.874 -2.504 9.417 1.00 54.10 O ATOM 1459 OE2 GLU A 91 11.005 -4.657 8.994 1.00 51.42 O ATOM 0 H GLU A 91 12.397 -2.568 6.428 1.00 60.21 H new ATOM 0 HA GLU A 91 12.991 -0.096 7.939 1.00 10.15 H new ATOM 0 HB2 GLU A 91 14.541 -1.938 9.183 1.00 61.14 H new ATOM 0 HB3 GLU A 91 12.956 -1.460 9.759 1.00 61.14 H new ATOM 0 HG2 GLU A 91 13.214 -3.742 7.805 1.00 35.15 H new ATOM 0 HG3 GLU A 91 13.565 -4.002 9.502 1.00 35.15 H new ATOM 1466 N PRO A 92 15.533 -0.279 7.344 1.00 1.30 N ATOM 1467 CA PRO A 92 16.833 -0.123 6.684 1.00 74.13 C ATOM 1468 C PRO A 92 17.677 -1.390 6.760 1.00 23.33 C ATOM 1469 O PRO A 92 17.907 -1.931 7.843 1.00 72.21 O ATOM 1470 CB PRO A 92 17.496 1.010 7.470 1.00 44.44 C ATOM 1471 CG PRO A 92 16.855 0.966 8.814 1.00 61.34 C ATOM 1472 CD PRO A 92 15.440 0.513 8.582 1.00 31.12 C ATOM 0 HA PRO A 92 16.728 0.084 5.619 1.00 74.13 H new ATOM 0 HB2 PRO A 92 18.574 0.864 7.541 1.00 44.44 H new ATOM 0 HB3 PRO A 92 17.336 1.974 6.986 1.00 44.44 H new ATOM 0 HG2 PRO A 92 17.382 0.278 9.475 1.00 61.34 H new ATOM 0 HG3 PRO A 92 16.878 1.946 9.290 1.00 61.34 H new ATOM 0 HD2 PRO A 92 15.068 -0.085 9.414 1.00 31.12 H new ATOM 0 HD3 PRO A 92 14.761 1.358 8.468 1.00 31.12 H new ATOM 1480 N LEU A 93 18.138 -1.859 5.606 1.00 21.10 N ATOM 1481 CA LEU A 93 18.959 -3.064 5.542 1.00 12.54 C ATOM 1482 C LEU A 93 20.365 -2.739 5.048 1.00 54.04 C ATOM 1483 O LEU A 93 21.342 -3.345 5.483 1.00 25.31 O ATOM 1484 CB LEU A 93 18.309 -4.099 4.623 1.00 32.44 C ATOM 1485 CG LEU A 93 18.484 -5.563 5.032 1.00 52.54 C ATOM 1486 CD1 LEU A 93 19.946 -5.865 5.321 1.00 51.14 C ATOM 1487 CD2 LEU A 93 17.621 -5.885 6.243 1.00 60.11 C ATOM 0 H LEU A 93 17.958 -1.424 4.701 1.00 21.10 H new ATOM 0 HA LEU A 93 19.034 -3.477 6.548 1.00 12.54 H new ATOM 0 HB2 LEU A 93 17.242 -3.884 4.564 1.00 32.44 H new ATOM 0 HB3 LEU A 93 18.716 -3.972 3.620 1.00 32.44 H new ATOM 0 HG LEU A 93 18.161 -6.193 4.203 1.00 52.54 H new ATOM 0 HD11 LEU A 93 20.051 -6.911 5.610 1.00 51.14 H new ATOM 0 HD12 LEU A 93 20.540 -5.674 4.428 1.00 51.14 H new ATOM 0 HD13 LEU A 93 20.296 -5.227 6.133 1.00 51.14 H new ATOM 0 HD21 LEU A 93 17.758 -6.930 6.520 1.00 60.11 H new ATOM 0 HD22 LEU A 93 17.913 -5.247 7.078 1.00 60.11 H new ATOM 0 HD23 LEU A 93 16.573 -5.708 6.000 1.00 60.11 H new ATOM 1499 N GLY A 94 20.458 -1.776 4.135 1.00 20.04 N ATOM 1500 CA GLY A 94 21.748 -1.386 3.598 1.00 4.10 C ATOM 1501 C GLY A 94 22.245 -0.076 4.176 1.00 50.50 C ATOM 1502 O GLY A 94 21.504 0.628 4.861 1.00 34.12 O ATOM 0 H GLY A 94 19.663 -1.260 3.758 1.00 20.04 H new ATOM 0 HA2 GLY A 94 22.476 -2.170 3.805 1.00 4.10 H new ATOM 0 HA3 GLY A 94 21.675 -1.297 2.514 1.00 4.10 H new ATOM 1506 N GLU A 95 23.504 0.252 3.900 1.00 34.15 N ATOM 1507 CA GLU A 95 24.098 1.486 4.401 1.00 63.32 C ATOM 1508 C GLU A 95 25.388 1.810 3.653 1.00 5.03 C ATOM 1509 O GLU A 95 26.255 0.951 3.485 1.00 14.44 O ATOM 1510 CB GLU A 95 24.380 1.371 5.900 1.00 31.24 C ATOM 1511 CG GLU A 95 25.556 0.468 6.231 1.00 23.13 C ATOM 1512 CD GLU A 95 25.324 -0.358 7.482 1.00 44.31 C ATOM 1513 OE1 GLU A 95 24.393 -1.190 7.478 1.00 2.03 O ATOM 1514 OE2 GLU A 95 26.073 -0.172 8.464 1.00 42.24 O ATOM 0 H GLU A 95 24.131 -0.319 3.333 1.00 34.15 H new ATOM 0 HA GLU A 95 23.387 2.296 4.234 1.00 63.32 H new ATOM 0 HB2 GLU A 95 24.572 2.366 6.302 1.00 31.24 H new ATOM 0 HB3 GLU A 95 23.489 0.991 6.401 1.00 31.24 H new ATOM 0 HG2 GLU A 95 25.745 -0.199 5.390 1.00 23.13 H new ATOM 0 HG3 GLU A 95 26.451 1.077 6.363 1.00 23.13 H new ATOM 1521 N VAL A 96 25.509 3.056 3.206 1.00 70.13 N ATOM 1522 CA VAL A 96 26.693 3.495 2.476 1.00 13.14 C ATOM 1523 C VAL A 96 27.031 4.946 2.801 1.00 24.42 C ATOM 1524 O VAL A 96 26.142 5.771 3.012 1.00 21.52 O ATOM 1525 CB VAL A 96 26.500 3.353 0.955 1.00 75.20 C ATOM 1526 CG1 VAL A 96 27.726 3.858 0.211 1.00 25.32 C ATOM 1527 CG2 VAL A 96 26.202 1.906 0.589 1.00 12.52 C ATOM 0 H VAL A 96 24.802 3.779 3.336 1.00 70.13 H new ATOM 0 HA VAL A 96 27.516 2.853 2.791 1.00 13.14 H new ATOM 0 HB VAL A 96 25.647 3.963 0.656 1.00 75.20 H new ATOM 0 HG11 VAL A 96 27.571 3.749 -0.862 1.00 25.32 H new ATOM 0 HG12 VAL A 96 27.889 4.909 0.450 1.00 25.32 H new ATOM 0 HG13 VAL A 96 28.599 3.278 0.512 1.00 25.32 H new ATOM 0 HG21 VAL A 96 26.068 1.824 -0.490 1.00 12.52 H new ATOM 0 HG22 VAL A 96 27.033 1.273 0.901 1.00 12.52 H new ATOM 0 HG23 VAL A 96 25.291 1.583 1.093 1.00 12.52 H new ATOM 1537 N LYS A 97 28.324 5.251 2.839 1.00 11.23 N ATOM 1538 CA LYS A 97 28.783 6.603 3.136 1.00 14.05 C ATOM 1539 C LYS A 97 30.148 6.865 2.508 1.00 33.22 C ATOM 1540 O LYS A 97 30.988 5.969 2.430 1.00 53.51 O ATOM 1541 CB LYS A 97 28.856 6.818 4.650 1.00 62.51 C ATOM 1542 CG LYS A 97 30.051 6.143 5.302 1.00 13.34 C ATOM 1543 CD LYS A 97 31.108 7.155 5.711 1.00 51.42 C ATOM 1544 CE LYS A 97 32.273 7.170 4.733 1.00 54.32 C ATOM 1545 NZ LYS A 97 33.555 7.523 5.403 1.00 51.34 N ATOM 0 H LYS A 97 29.073 4.580 2.668 1.00 11.23 H new ATOM 0 HA LYS A 97 28.066 7.305 2.710 1.00 14.05 H new ATOM 0 HB2 LYS A 97 28.896 7.888 4.855 1.00 62.51 H new ATOM 0 HB3 LYS A 97 27.941 6.440 5.107 1.00 62.51 H new ATOM 0 HG2 LYS A 97 29.722 5.585 6.179 1.00 13.34 H new ATOM 0 HG3 LYS A 97 30.485 5.422 4.610 1.00 13.34 H new ATOM 0 HD2 LYS A 97 30.662 8.148 5.762 1.00 51.42 H new ATOM 0 HD3 LYS A 97 31.473 6.918 6.710 1.00 51.42 H new ATOM 0 HE2 LYS A 97 32.366 6.190 4.264 1.00 54.32 H new ATOM 0 HE3 LYS A 97 32.070 7.887 3.937 1.00 54.32 H new ATOM 0 HZ1 LYS A 97 34.324 7.522 4.703 1.00 51.34 H new ATOM 0 HZ2 LYS A 97 33.475 8.468 5.829 1.00 51.34 H new ATOM 0 HZ3 LYS A 97 33.762 6.825 6.146 1.00 51.34 H new ATOM 1559 N GLY A 98 30.362 8.099 2.063 1.00 44.22 N ATOM 1560 CA GLY A 98 31.628 8.457 1.449 1.00 72.52 C ATOM 1561 C GLY A 98 31.551 8.481 -0.065 1.00 2.41 C ATOM 1562 O GLY A 98 30.561 8.061 -0.665 1.00 3.53 O ATOM 0 H GLY A 98 29.682 8.857 2.116 1.00 44.22 H new ATOM 0 HA2 GLY A 98 31.939 9.437 1.810 1.00 72.52 H new ATOM 0 HA3 GLY A 98 32.393 7.746 1.760 1.00 72.52 H new ATOM 1566 N PRO A 99 32.616 8.985 -0.707 1.00 54.20 N ATOM 1567 CA PRO A 99 32.688 9.076 -2.168 1.00 44.53 C ATOM 1568 C PRO A 99 32.814 7.708 -2.829 1.00 45.01 C ATOM 1569 O PRO A 99 33.919 7.245 -3.114 1.00 1.12 O ATOM 1570 CB PRO A 99 33.953 9.905 -2.409 1.00 54.23 C ATOM 1571 CG PRO A 99 34.791 9.677 -1.199 1.00 43.44 C ATOM 1572 CD PRO A 99 33.830 9.504 -0.056 1.00 23.10 C ATOM 0 HA PRO A 99 31.786 9.515 -2.594 1.00 44.53 H new ATOM 0 HB2 PRO A 99 34.469 9.585 -3.314 1.00 54.23 H new ATOM 0 HB3 PRO A 99 33.716 10.962 -2.533 1.00 54.23 H new ATOM 0 HG2 PRO A 99 35.417 8.793 -1.319 1.00 43.44 H new ATOM 0 HG3 PRO A 99 35.459 10.520 -1.023 1.00 43.44 H new ATOM 0 HD2 PRO A 99 34.214 8.809 0.690 1.00 23.10 H new ATOM 0 HD3 PRO A 99 33.640 10.448 0.455 1.00 23.10 H new ATOM 1580 N ASP A 100 31.677 7.066 -3.071 1.00 31.14 N ATOM 1581 CA ASP A 100 31.660 5.750 -3.700 1.00 2.42 C ATOM 1582 C ASP A 100 30.471 5.616 -4.646 1.00 22.41 C ATOM 1583 O ASP A 100 29.743 4.624 -4.605 1.00 72.54 O ATOM 1584 CB ASP A 100 31.608 4.653 -2.636 1.00 1.25 C ATOM 1585 CG ASP A 100 30.293 4.640 -1.882 1.00 34.41 C ATOM 1586 OD1 ASP A 100 30.099 5.512 -1.010 1.00 1.44 O ATOM 1587 OD2 ASP A 100 29.456 3.757 -2.165 1.00 63.11 O ATOM 0 H ASP A 100 30.754 7.435 -2.841 1.00 31.14 H new ATOM 0 HA ASP A 100 32.577 5.639 -4.279 1.00 2.42 H new ATOM 0 HB2 ASP A 100 31.761 3.684 -3.110 1.00 1.25 H new ATOM 0 HB3 ASP A 100 32.427 4.796 -1.931 1.00 1.25 H new ATOM 1592 N ILE A 101 30.281 6.620 -5.495 1.00 75.41 N ATOM 1593 CA ILE A 101 29.180 6.613 -6.451 1.00 30.52 C ATOM 1594 C ILE A 101 29.257 5.397 -7.369 1.00 10.41 C ATOM 1595 O ILE A 101 28.235 4.887 -7.827 1.00 34.44 O ATOM 1596 CB ILE A 101 29.172 7.891 -7.309 1.00 71.05 C ATOM 1597 CG1 ILE A 101 28.629 9.071 -6.501 1.00 5.22 C ATOM 1598 CG2 ILE A 101 28.343 7.679 -8.568 1.00 24.33 C ATOM 1599 CD1 ILE A 101 27.179 8.915 -6.102 1.00 32.42 C ATOM 0 H ILE A 101 30.875 7.448 -5.541 1.00 75.41 H new ATOM 0 HA ILE A 101 28.258 6.569 -5.871 1.00 30.52 H new ATOM 0 HB ILE A 101 30.196 8.118 -7.605 1.00 71.05 H new ATOM 0 HG12 ILE A 101 29.233 9.194 -5.602 1.00 5.22 H new ATOM 0 HG13 ILE A 101 28.740 9.983 -7.087 1.00 5.22 H new ATOM 0 HG21 ILE A 101 28.347 8.591 -9.164 1.00 24.33 H new ATOM 0 HG22 ILE A 101 28.769 6.863 -9.151 1.00 24.33 H new ATOM 0 HG23 ILE A 101 27.318 7.431 -8.291 1.00 24.33 H new ATOM 0 HD11 ILE A 101 26.862 9.789 -5.532 1.00 32.42 H new ATOM 0 HD12 ILE A 101 26.563 8.823 -6.997 1.00 32.42 H new ATOM 0 HD13 ILE A 101 27.064 8.021 -5.489 1.00 32.42 H new ATOM 1611 N ASP A 102 30.475 4.938 -7.633 1.00 4.54 N ATOM 1612 CA ASP A 102 30.687 3.781 -8.494 1.00 34.21 C ATOM 1613 C ASP A 102 30.360 2.487 -7.755 1.00 24.23 C ATOM 1614 O ASP A 102 29.670 1.615 -8.282 1.00 74.21 O ATOM 1615 CB ASP A 102 32.132 3.747 -8.994 1.00 33.04 C ATOM 1616 CG ASP A 102 32.246 4.117 -10.459 1.00 62.24 C ATOM 1617 OD1 ASP A 102 31.979 3.246 -11.314 1.00 51.11 O ATOM 1618 OD2 ASP A 102 32.602 5.277 -10.752 1.00 3.31 O ATOM 0 H ASP A 102 31.331 5.350 -7.263 1.00 4.54 H new ATOM 0 HA ASP A 102 30.018 3.869 -9.350 1.00 34.21 H new ATOM 0 HB2 ASP A 102 32.735 4.434 -8.401 1.00 33.04 H new ATOM 0 HB3 ASP A 102 32.543 2.749 -8.841 1.00 33.04 H new ATOM 1623 N LYS A 103 30.863 2.368 -6.530 1.00 41.15 N ATOM 1624 CA LYS A 103 30.626 1.181 -5.717 1.00 50.23 C ATOM 1625 C LYS A 103 29.163 1.094 -5.296 1.00 34.12 C ATOM 1626 O LYS A 103 28.683 0.031 -4.899 1.00 14.21 O ATOM 1627 CB LYS A 103 31.524 1.199 -4.479 1.00 24.35 C ATOM 1628 CG LYS A 103 31.700 -0.166 -3.835 1.00 42.14 C ATOM 1629 CD LYS A 103 32.477 -0.073 -2.533 1.00 4.40 C ATOM 1630 CE LYS A 103 31.548 0.088 -1.340 1.00 1.43 C ATOM 1631 NZ LYS A 103 32.301 0.346 -0.081 1.00 61.00 N ATOM 0 H LYS A 103 31.438 3.080 -6.079 1.00 41.15 H new ATOM 0 HA LYS A 103 30.865 0.304 -6.319 1.00 50.23 H new ATOM 0 HB2 LYS A 103 32.503 1.590 -4.756 1.00 24.35 H new ATOM 0 HB3 LYS A 103 31.103 1.886 -3.745 1.00 24.35 H new ATOM 0 HG2 LYS A 103 30.722 -0.608 -3.645 1.00 42.14 H new ATOM 0 HG3 LYS A 103 32.222 -0.830 -4.524 1.00 42.14 H new ATOM 0 HD2 LYS A 103 33.083 -0.970 -2.405 1.00 4.40 H new ATOM 0 HD3 LYS A 103 33.164 0.772 -2.577 1.00 4.40 H new ATOM 0 HE2 LYS A 103 30.858 0.911 -1.526 1.00 1.43 H new ATOM 0 HE3 LYS A 103 30.946 -0.813 -1.225 1.00 1.43 H new ATOM 0 HZ1 LYS A 103 31.632 0.450 0.709 1.00 61.00 H new ATOM 0 HZ2 LYS A 103 32.941 -0.451 0.110 1.00 61.00 H new ATOM 0 HZ3 LYS A 103 32.856 1.220 -0.181 1.00 61.00 H new ATOM 1645 N LEU A 104 28.458 2.216 -5.386 1.00 11.43 N ATOM 1646 CA LEU A 104 27.048 2.266 -5.015 1.00 51.30 C ATOM 1647 C LEU A 104 26.249 1.207 -5.767 1.00 62.33 C ATOM 1648 O LEU A 104 25.337 0.593 -5.213 1.00 52.43 O ATOM 1649 CB LEU A 104 26.473 3.654 -5.303 1.00 43.42 C ATOM 1650 CG LEU A 104 25.112 3.960 -4.678 1.00 11.42 C ATOM 1651 CD1 LEU A 104 25.283 4.710 -3.366 1.00 45.40 C ATOM 1652 CD2 LEU A 104 24.249 4.761 -5.643 1.00 24.40 C ATOM 0 H LEU A 104 28.840 3.104 -5.713 1.00 11.43 H new ATOM 0 HA LEU A 104 26.972 2.062 -3.947 1.00 51.30 H new ATOM 0 HB2 LEU A 104 27.187 4.400 -4.954 1.00 43.42 H new ATOM 0 HB3 LEU A 104 26.389 3.774 -6.383 1.00 43.42 H new ATOM 0 HG LEU A 104 24.609 3.015 -4.470 1.00 11.42 H new ATOM 0 HD11 LEU A 104 24.303 4.919 -2.936 1.00 45.40 H new ATOM 0 HD12 LEU A 104 25.862 4.101 -2.672 1.00 45.40 H new ATOM 0 HD13 LEU A 104 25.807 5.648 -3.549 1.00 45.40 H new ATOM 0 HD21 LEU A 104 23.284 4.969 -5.181 1.00 24.40 H new ATOM 0 HD22 LEU A 104 24.747 5.700 -5.883 1.00 24.40 H new ATOM 0 HD23 LEU A 104 24.097 4.187 -6.557 1.00 24.40 H new ATOM 1664 N ARG A 105 26.600 0.995 -7.032 1.00 3.35 N ATOM 1665 CA ARG A 105 25.917 0.009 -7.859 1.00 71.15 C ATOM 1666 C ARG A 105 26.103 -1.397 -7.296 1.00 12.24 C ATOM 1667 O ARG A 105 25.210 -2.238 -7.395 1.00 24.13 O ATOM 1668 CB ARG A 105 26.440 0.067 -9.296 1.00 20.01 C ATOM 1669 CG ARG A 105 27.857 -0.460 -9.450 1.00 22.52 C ATOM 1670 CD ARG A 105 28.588 0.230 -10.591 1.00 12.13 C ATOM 1671 NE ARG A 105 29.960 -0.251 -10.733 1.00 15.53 N ATOM 1672 CZ ARG A 105 30.686 -0.085 -11.832 1.00 43.51 C ATOM 1673 NH1 ARG A 105 30.175 0.547 -12.880 1.00 10.13 N ATOM 1674 NH2 ARG A 105 31.928 -0.550 -11.885 1.00 74.50 N ATOM 0 H ARG A 105 27.354 1.493 -7.506 1.00 3.35 H new ATOM 0 HA ARG A 105 24.853 0.245 -7.856 1.00 71.15 H new ATOM 0 HB2 ARG A 105 25.775 -0.509 -9.939 1.00 20.01 H new ATOM 0 HB3 ARG A 105 26.405 1.099 -9.645 1.00 20.01 H new ATOM 0 HG2 ARG A 105 28.406 -0.308 -8.521 1.00 22.52 H new ATOM 0 HG3 ARG A 105 27.829 -1.534 -9.632 1.00 22.52 H new ATOM 0 HD2 ARG A 105 28.047 0.062 -11.522 1.00 12.13 H new ATOM 0 HD3 ARG A 105 28.597 1.306 -10.417 1.00 12.13 H new ATOM 0 HE ARG A 105 30.383 -0.741 -9.945 1.00 15.53 H new ATOM 0 HH11 ARG A 105 29.221 0.907 -12.843 1.00 10.13 H new ATOM 0 HH12 ARG A 105 30.736 0.673 -13.723 1.00 10.13 H new ATOM 0 HH21 ARG A 105 32.326 -1.035 -11.081 1.00 74.50 H new ATOM 0 HH22 ARG A 105 32.485 -0.422 -12.730 1.00 74.50 H new ATOM 1688 N GLU A 106 27.268 -1.643 -6.705 1.00 0.43 N ATOM 1689 CA GLU A 106 27.571 -2.947 -6.127 1.00 15.33 C ATOM 1690 C GLU A 106 26.906 -3.104 -4.762 1.00 22.20 C ATOM 1691 O GLU A 106 26.212 -4.089 -4.506 1.00 1.22 O ATOM 1692 CB GLU A 106 29.084 -3.132 -5.994 1.00 14.20 C ATOM 1693 CG GLU A 106 29.872 -2.551 -7.156 1.00 1.14 C ATOM 1694 CD GLU A 106 31.344 -2.909 -7.099 1.00 24.54 C ATOM 1695 OE1 GLU A 106 31.750 -3.598 -6.138 1.00 50.54 O ATOM 1696 OE2 GLU A 106 32.091 -2.502 -8.013 1.00 74.32 O ATOM 0 H GLU A 106 28.017 -0.957 -6.614 1.00 0.43 H new ATOM 0 HA GLU A 106 27.177 -3.713 -6.795 1.00 15.33 H new ATOM 0 HB2 GLU A 106 29.419 -2.664 -5.068 1.00 14.20 H new ATOM 0 HB3 GLU A 106 29.306 -4.196 -5.911 1.00 14.20 H new ATOM 0 HG2 GLU A 106 29.450 -2.913 -8.094 1.00 1.14 H new ATOM 0 HG3 GLU A 106 29.765 -1.466 -7.156 1.00 1.14 H new ATOM 1703 N THR A 107 27.124 -2.127 -3.888 1.00 2.33 N ATOM 1704 CA THR A 107 26.549 -2.156 -2.549 1.00 22.42 C ATOM 1705 C THR A 107 25.033 -2.302 -2.605 1.00 31.42 C ATOM 1706 O THR A 107 24.428 -2.940 -1.742 1.00 10.35 O ATOM 1707 CB THR A 107 26.902 -0.883 -1.758 1.00 1.25 C ATOM 1708 OG1 THR A 107 28.242 -0.475 -2.057 1.00 74.13 O ATOM 1709 CG2 THR A 107 26.761 -1.119 -0.261 1.00 43.13 C ATOM 0 H THR A 107 27.695 -1.305 -4.084 1.00 2.33 H new ATOM 0 HA THR A 107 26.976 -3.020 -2.041 1.00 22.42 H new ATOM 0 HB THR A 107 26.209 -0.095 -2.053 1.00 1.25 H new ATOM 0 HG1 THR A 107 28.458 0.336 -1.551 1.00 74.13 H new ATOM 0 HG21 THR A 107 27.016 -0.206 0.277 1.00 43.13 H new ATOM 0 HG22 THR A 107 25.733 -1.400 -0.032 1.00 43.13 H new ATOM 0 HG23 THR A 107 27.433 -1.920 0.046 1.00 43.13 H new ATOM 1717 N LEU A 108 24.424 -1.709 -3.625 1.00 75.44 N ATOM 1718 CA LEU A 108 22.976 -1.774 -3.795 1.00 30.34 C ATOM 1719 C LEU A 108 22.569 -3.052 -4.521 1.00 24.51 C ATOM 1720 O LEU A 108 21.439 -3.521 -4.388 1.00 32.12 O ATOM 1721 CB LEU A 108 22.478 -0.553 -4.570 1.00 21.21 C ATOM 1722 CG LEU A 108 22.264 -0.752 -6.071 1.00 24.42 C ATOM 1723 CD1 LEU A 108 20.865 -1.281 -6.345 1.00 40.32 C ATOM 1724 CD2 LEU A 108 22.501 0.550 -6.821 1.00 3.33 C ATOM 0 H LEU A 108 24.910 -1.177 -4.347 1.00 75.44 H new ATOM 0 HA LEU A 108 22.519 -1.780 -2.805 1.00 30.34 H new ATOM 0 HB2 LEU A 108 21.536 -0.227 -4.129 1.00 21.21 H new ATOM 0 HB3 LEU A 108 23.193 0.258 -4.430 1.00 21.21 H new ATOM 0 HG LEU A 108 22.984 -1.488 -6.427 1.00 24.42 H new ATOM 0 HD11 LEU A 108 20.731 -1.416 -7.418 1.00 40.32 H new ATOM 0 HD12 LEU A 108 20.732 -2.237 -5.839 1.00 40.32 H new ATOM 0 HD13 LEU A 108 20.128 -0.569 -5.974 1.00 40.32 H new ATOM 0 HD21 LEU A 108 22.344 0.389 -7.888 1.00 3.33 H new ATOM 0 HD22 LEU A 108 21.805 1.308 -6.462 1.00 3.33 H new ATOM 0 HD23 LEU A 108 23.524 0.887 -6.651 1.00 3.33 H new ATOM 1736 N ASP A 109 23.499 -3.612 -5.287 1.00 71.42 N ATOM 1737 CA ASP A 109 23.239 -4.839 -6.032 1.00 53.33 C ATOM 1738 C ASP A 109 23.300 -6.056 -5.114 1.00 52.44 C ATOM 1739 O ASP A 109 22.404 -6.900 -5.127 1.00 44.52 O ATOM 1740 CB ASP A 109 24.248 -4.992 -7.171 1.00 73.54 C ATOM 1741 CG ASP A 109 24.452 -6.440 -7.573 1.00 34.13 C ATOM 1742 OD1 ASP A 109 25.566 -6.963 -7.363 1.00 44.11 O ATOM 1743 OD2 ASP A 109 23.496 -7.051 -8.096 1.00 2.44 O ATOM 0 H ASP A 109 24.439 -3.236 -5.408 1.00 71.42 H new ATOM 0 HA ASP A 109 22.235 -4.774 -6.452 1.00 53.33 H new ATOM 0 HB2 ASP A 109 23.905 -4.423 -8.035 1.00 73.54 H new ATOM 0 HB3 ASP A 109 25.203 -4.564 -6.866 1.00 73.54 H new ATOM 1748 N GLU A 110 24.363 -6.139 -4.320 1.00 54.31 N ATOM 1749 CA GLU A 110 24.541 -7.254 -3.397 1.00 55.25 C ATOM 1750 C GLU A 110 23.322 -7.411 -2.492 1.00 41.32 C ATOM 1751 O GLU A 110 23.059 -8.494 -1.968 1.00 3.12 O ATOM 1752 CB GLU A 110 25.797 -7.047 -2.549 1.00 31.11 C ATOM 1753 CG GLU A 110 27.061 -6.858 -3.370 1.00 4.33 C ATOM 1754 CD GLU A 110 27.673 -8.173 -3.811 1.00 71.30 C ATOM 1755 OE1 GLU A 110 28.907 -8.220 -3.997 1.00 21.44 O ATOM 1756 OE2 GLU A 110 26.918 -9.155 -3.971 1.00 41.01 O ATOM 0 H GLU A 110 25.113 -5.448 -4.297 1.00 54.31 H new ATOM 0 HA GLU A 110 24.655 -8.165 -3.985 1.00 55.25 H new ATOM 0 HB2 GLU A 110 25.655 -6.175 -1.911 1.00 31.11 H new ATOM 0 HB3 GLU A 110 25.926 -7.906 -1.891 1.00 31.11 H new ATOM 0 HG2 GLU A 110 26.832 -6.255 -4.249 1.00 4.33 H new ATOM 0 HG3 GLU A 110 27.791 -6.301 -2.783 1.00 4.33 H new ATOM 1763 N LEU A 111 22.582 -6.322 -2.313 1.00 30.33 N ATOM 1764 CA LEU A 111 21.391 -6.337 -1.470 1.00 70.44 C ATOM 1765 C LEU A 111 20.131 -6.512 -2.312 1.00 71.11 C ATOM 1766 O LEU A 111 19.288 -7.360 -2.018 1.00 74.41 O ATOM 1767 CB LEU A 111 21.300 -5.044 -0.658 1.00 63.33 C ATOM 1768 CG LEU A 111 19.923 -4.706 -0.086 1.00 61.12 C ATOM 1769 CD1 LEU A 111 20.060 -4.007 1.258 1.00 62.44 C ATOM 1770 CD2 LEU A 111 19.138 -3.841 -1.062 1.00 22.14 C ATOM 0 H LEU A 111 22.785 -5.418 -2.740 1.00 30.33 H new ATOM 0 HA LEU A 111 21.470 -7.183 -0.787 1.00 70.44 H new ATOM 0 HB2 LEU A 111 22.009 -5.106 0.168 1.00 63.33 H new ATOM 0 HB3 LEU A 111 21.621 -4.217 -1.292 1.00 63.33 H new ATOM 0 HG LEU A 111 19.375 -5.636 0.066 1.00 61.12 H new ATOM 0 HD11 LEU A 111 19.070 -3.774 1.650 1.00 62.44 H new ATOM 0 HD12 LEU A 111 20.582 -4.661 1.957 1.00 62.44 H new ATOM 0 HD13 LEU A 111 20.627 -3.084 1.132 1.00 62.44 H new ATOM 0 HD21 LEU A 111 18.161 -3.610 -0.639 1.00 22.14 H new ATOM 0 HD22 LEU A 111 19.682 -2.914 -1.246 1.00 22.14 H new ATOM 0 HD23 LEU A 111 19.009 -4.378 -2.002 1.00 22.14 H new ATOM 1782 N LEU A 112 20.010 -5.706 -3.361 1.00 61.01 N ATOM 1783 CA LEU A 112 18.854 -5.773 -4.248 1.00 52.40 C ATOM 1784 C LEU A 112 18.743 -7.149 -4.896 1.00 42.01 C ATOM 1785 O LEU A 112 17.677 -7.538 -5.371 1.00 71.41 O ATOM 1786 CB LEU A 112 18.952 -4.694 -5.328 1.00 60.02 C ATOM 1787 CG LEU A 112 17.686 -4.449 -6.150 1.00 33.44 C ATOM 1788 CD1 LEU A 112 16.501 -4.176 -5.236 1.00 22.33 C ATOM 1789 CD2 LEU A 112 17.893 -3.293 -7.117 1.00 73.43 C ATOM 0 H LEU A 112 20.698 -4.998 -3.618 1.00 61.01 H new ATOM 0 HA LEU A 112 17.959 -5.600 -3.651 1.00 52.40 H new ATOM 0 HB2 LEU A 112 19.239 -3.756 -4.852 1.00 60.02 H new ATOM 0 HB3 LEU A 112 19.758 -4.964 -6.011 1.00 60.02 H new ATOM 0 HG LEU A 112 17.473 -5.347 -6.730 1.00 33.44 H new ATOM 0 HD11 LEU A 112 15.609 -4.004 -5.838 1.00 22.33 H new ATOM 0 HD12 LEU A 112 16.339 -5.035 -4.584 1.00 22.33 H new ATOM 0 HD13 LEU A 112 16.705 -3.294 -4.630 1.00 22.33 H new ATOM 0 HD21 LEU A 112 16.982 -3.133 -7.693 1.00 73.43 H new ATOM 0 HD22 LEU A 112 18.132 -2.389 -6.557 1.00 73.43 H new ATOM 0 HD23 LEU A 112 18.714 -3.528 -7.794 1.00 73.43 H new ATOM 1801 N ALA A 113 19.852 -7.882 -4.910 1.00 11.32 N ATOM 1802 CA ALA A 113 19.878 -9.216 -5.495 1.00 64.24 C ATOM 1803 C ALA A 113 19.129 -10.215 -4.620 1.00 4.13 C ATOM 1804 O ALA A 113 18.636 -11.233 -5.106 1.00 13.35 O ATOM 1805 CB ALA A 113 21.315 -9.671 -5.708 1.00 12.12 C ATOM 0 H ALA A 113 20.744 -7.574 -4.523 1.00 11.32 H new ATOM 0 HA ALA A 113 19.375 -9.172 -6.461 1.00 64.24 H new ATOM 0 HB1 ALA A 113 21.319 -10.669 -6.146 1.00 12.12 H new ATOM 0 HB2 ALA A 113 21.820 -8.978 -6.380 1.00 12.12 H new ATOM 0 HB3 ALA A 113 21.836 -9.692 -4.751 1.00 12.12 H new ATOM 1811 N ARG A 114 19.049 -9.918 -3.327 1.00 2.42 N ATOM 1812 CA ARG A 114 18.362 -10.791 -2.383 1.00 52.03 C ATOM 1813 C ARG A 114 16.890 -10.944 -2.757 1.00 3.12 C ATOM 1814 O ARG A 114 16.379 -12.059 -2.865 1.00 33.20 O ATOM 1815 CB ARG A 114 18.483 -10.238 -0.962 1.00 65.11 C ATOM 1816 CG ARG A 114 19.884 -10.350 -0.383 1.00 3.11 C ATOM 1817 CD ARG A 114 19.854 -10.826 1.061 1.00 72.11 C ATOM 1818 NE ARG A 114 21.164 -11.287 1.513 1.00 73.20 N ATOM 1819 CZ ARG A 114 21.382 -11.822 2.709 1.00 31.21 C ATOM 1820 NH1 ARG A 114 20.382 -11.963 3.568 1.00 21.14 N ATOM 1821 NH2 ARG A 114 22.602 -12.218 3.048 1.00 64.15 N ATOM 0 H ARG A 114 19.452 -9.079 -2.909 1.00 2.42 H new ATOM 0 HA ARG A 114 18.834 -11.772 -2.425 1.00 52.03 H new ATOM 0 HB2 ARG A 114 18.181 -9.191 -0.962 1.00 65.11 H new ATOM 0 HB3 ARG A 114 17.787 -10.770 -0.313 1.00 65.11 H new ATOM 0 HG2 ARG A 114 20.473 -11.043 -0.984 1.00 3.11 H new ATOM 0 HG3 ARG A 114 20.380 -9.381 -0.437 1.00 3.11 H new ATOM 0 HD2 ARG A 114 19.514 -10.014 1.703 1.00 72.11 H new ATOM 0 HD3 ARG A 114 19.131 -11.635 1.161 1.00 72.11 H new ATOM 0 HE ARG A 114 21.955 -11.193 0.875 1.00 73.20 H new ATOM 0 HH11 ARG A 114 19.442 -11.660 3.311 1.00 21.14 H new ATOM 0 HH12 ARG A 114 20.552 -12.374 4.486 1.00 21.14 H new ATOM 0 HH21 ARG A 114 23.374 -12.112 2.390 1.00 64.15 H new ATOM 0 HH22 ARG A 114 22.768 -12.629 3.967 1.00 64.15 H new ATOM 1835 N LEU A 115 16.215 -9.817 -2.952 1.00 52.11 N ATOM 1836 CA LEU A 115 14.801 -9.825 -3.313 1.00 43.22 C ATOM 1837 C LEU A 115 14.553 -10.722 -4.521 1.00 70.14 C ATOM 1838 O LEU A 115 13.492 -11.333 -4.645 1.00 11.33 O ATOM 1839 CB LEU A 115 14.323 -8.403 -3.613 1.00 2.13 C ATOM 1840 CG LEU A 115 12.978 -8.284 -4.329 1.00 74.20 C ATOM 1841 CD1 LEU A 115 12.224 -7.054 -3.849 1.00 0.40 C ATOM 1842 CD2 LEU A 115 13.178 -8.234 -5.837 1.00 25.44 C ATOM 0 H LEU A 115 16.623 -8.886 -2.866 1.00 52.11 H new ATOM 0 HA LEU A 115 14.238 -10.221 -2.468 1.00 43.22 H new ATOM 0 HB2 LEU A 115 14.261 -7.856 -2.672 1.00 2.13 H new ATOM 0 HB3 LEU A 115 15.080 -7.907 -4.220 1.00 2.13 H new ATOM 0 HG LEU A 115 12.383 -9.166 -4.091 1.00 74.20 H new ATOM 0 HD11 LEU A 115 11.269 -6.986 -4.370 1.00 0.40 H new ATOM 0 HD12 LEU A 115 12.047 -7.131 -2.776 1.00 0.40 H new ATOM 0 HD13 LEU A 115 12.814 -6.161 -4.056 1.00 0.40 H new ATOM 0 HD21 LEU A 115 12.209 -8.149 -6.330 1.00 25.44 H new ATOM 0 HD22 LEU A 115 13.793 -7.371 -6.094 1.00 25.44 H new ATOM 0 HD23 LEU A 115 13.675 -9.146 -6.169 1.00 25.44 H new ATOM 1854 N GLU A 116 15.540 -10.798 -5.409 1.00 10.12 N ATOM 1855 CA GLU A 116 15.428 -11.622 -6.606 1.00 71.24 C ATOM 1856 C GLU A 116 15.047 -13.055 -6.247 1.00 35.33 C ATOM 1857 O GLU A 116 14.565 -13.810 -7.091 1.00 24.21 O ATOM 1858 CB GLU A 116 16.746 -11.613 -7.384 1.00 31.33 C ATOM 1859 CG GLU A 116 16.565 -11.500 -8.888 1.00 14.20 C ATOM 1860 CD GLU A 116 17.818 -11.873 -9.656 1.00 55.34 C ATOM 1861 OE1 GLU A 116 18.923 -11.518 -9.196 1.00 12.33 O ATOM 1862 OE2 GLU A 116 17.693 -12.519 -10.718 1.00 2.43 O ATOM 0 H GLU A 116 16.425 -10.299 -5.321 1.00 10.12 H new ATOM 0 HA GLU A 116 14.641 -11.201 -7.233 1.00 71.24 H new ATOM 0 HB2 GLU A 116 17.357 -10.780 -7.037 1.00 31.33 H new ATOM 0 HB3 GLU A 116 17.296 -12.527 -7.161 1.00 31.33 H new ATOM 0 HG2 GLU A 116 15.745 -12.147 -9.201 1.00 14.20 H new ATOM 0 HG3 GLU A 116 16.279 -10.479 -9.140 1.00 14.20 H new