USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 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 75 ASN : amide:sc= 0.91 K(o=3,f=2) USER MOD Set 1.2: A 92 ASN : amide:sc= 0.666 K(o=3,f=2) USER MOD Set 1.3: A 93 SER OG : rot 35:sc= 1.45 USER MOD Set 2.1: A 44 MET CE :methyl 143:sc= -0.111 (180deg=-1.32) USER MOD Set 2.2: A 57 TYR OH : rot 21:sc= 1.28 USER MOD Set 3.1: A 14 ASN : amide:sc= -3.34! C(o=-3.7!,f=-5.7!) USER MOD Set 3.2: A 35 GLN : amide:sc= 0.527 K(o=-3.7,f=-2) USER MOD Set 3.3: A 37 GLN : amide:sc= -0.929! K(o=-3.7!,f=-2) USER MOD Single : A 16 CYS SG : rot 180:sc= 0.00881 USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.2) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.399 K(o=0.4,f=-6.7!) USER MOD Single : A 32 THR OG1 : rot -42:sc= 0.766 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0344 USER MOD Single : A 39 MET CE :methyl -150:sc= -1.68 (180deg=-3.41!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 22:sc= 0.228 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 47:sc= 0.667 USER MOD Single : A 61 TYR OH : rot 57:sc= -0.843 USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= 0.197 (180deg=-0.809) USER MOD Single : A 67 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.035) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 160:sc= -0.0413 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 91 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.44) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.14) USER MOD Single : A 107 SER OG : rot -42:sc= 0.791 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.015) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 35:sc= -0.291! USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -9.848 -6.047 3.370 1.00 45.04 N ATOM 203 CA ASN A 14 -9.261 -6.457 4.656 1.00 33.12 C ATOM 204 C ASN A 14 -7.718 -6.457 4.618 1.00 75.20 C ATOM 205 O ASN A 14 -7.059 -6.840 5.589 1.00 1.21 O ATOM 206 CB ASN A 14 -9.793 -7.846 5.046 1.00 15.21 C ATOM 207 CG ASN A 14 -9.801 -8.812 3.875 1.00 73.13 C ATOM 208 OD1 ASN A 14 -9.003 -8.702 2.954 1.00 2.23 O ATOM 209 ND2 ASN A 14 -10.714 -9.764 3.892 1.00 54.00 N ATOM 0 HA ASN A 14 -9.559 -5.727 5.409 1.00 33.12 H new ATOM 0 HB2 ASN A 14 -9.178 -8.256 5.847 1.00 15.21 H new ATOM 0 HB3 ASN A 14 -10.805 -7.747 5.439 1.00 15.21 H new ATOM 0 HD21 ASN A 14 -10.768 -10.433 3.124 1.00 54.00 H new ATOM 0 HD22 ASN A 14 -11.366 -9.831 4.673 1.00 54.00 H new ATOM 216 N VAL A 15 -7.149 -6.029 3.492 1.00 24.33 N ATOM 217 CA VAL A 15 -5.695 -5.891 3.358 1.00 71.44 C ATOM 218 C VAL A 15 -5.250 -4.479 3.776 1.00 14.32 C ATOM 219 O VAL A 15 -5.290 -3.537 2.983 1.00 14.32 O ATOM 220 CB VAL A 15 -5.230 -6.182 1.908 1.00 50.14 C ATOM 221 CG1 VAL A 15 -3.707 -6.101 1.791 1.00 61.31 C ATOM 222 CG2 VAL A 15 -5.741 -7.548 1.445 1.00 12.34 C ATOM 0 H VAL A 15 -7.672 -5.771 2.656 1.00 24.33 H new ATOM 0 HA VAL A 15 -5.231 -6.624 4.018 1.00 71.44 H new ATOM 0 HB VAL A 15 -5.654 -5.418 1.256 1.00 50.14 H new ATOM 0 HG11 VAL A 15 -3.409 -6.310 0.763 1.00 61.31 H new ATOM 0 HG12 VAL A 15 -3.373 -5.101 2.070 1.00 61.31 H new ATOM 0 HG13 VAL A 15 -3.251 -6.834 2.456 1.00 61.31 H new ATOM 0 HG21 VAL A 15 -5.405 -7.736 0.425 1.00 12.34 H new ATOM 0 HG22 VAL A 15 -5.352 -8.324 2.104 1.00 12.34 H new ATOM 0 HG23 VAL A 15 -6.831 -7.558 1.476 1.00 12.34 H new ATOM 232 N CYS A 16 -4.844 -4.336 5.036 1.00 55.31 N ATOM 233 CA CYS A 16 -4.503 -3.023 5.603 1.00 22.14 C ATOM 234 C CYS A 16 -2.999 -2.729 5.511 1.00 71.34 C ATOM 235 O CYS A 16 -2.176 -3.644 5.491 1.00 2.40 O ATOM 236 CB CYS A 16 -4.939 -2.956 7.071 1.00 31.40 C ATOM 237 SG CYS A 16 -4.086 -4.135 8.149 1.00 34.42 S ATOM 0 H CYS A 16 -4.741 -5.113 5.689 1.00 55.31 H new ATOM 0 HA CYS A 16 -5.032 -2.271 5.018 1.00 22.14 H new ATOM 0 HB2 CYS A 16 -4.766 -1.947 7.445 1.00 31.40 H new ATOM 0 HB3 CYS A 16 -6.012 -3.137 7.129 1.00 31.40 H new ATOM 0 HG CYS A 16 -4.519 -4.001 9.367 1.00 34.42 H new ATOM 243 N ILE A 17 -2.646 -1.444 5.460 1.00 32.20 N ATOM 244 CA ILE A 17 -1.237 -1.028 5.454 1.00 25.40 C ATOM 245 C ILE A 17 -0.553 -1.395 6.779 1.00 34.31 C ATOM 246 O ILE A 17 -1.030 -1.025 7.855 1.00 22.22 O ATOM 247 CB ILE A 17 -1.096 0.502 5.234 1.00 52.24 C ATOM 248 CG1 ILE A 17 -1.837 0.933 3.960 1.00 53.04 C ATOM 249 CG2 ILE A 17 0.378 0.906 5.166 1.00 31.32 C ATOM 250 CD1 ILE A 17 -1.843 2.430 3.732 1.00 44.01 C ATOM 0 H ILE A 17 -3.312 -0.673 5.422 1.00 32.20 H new ATOM 0 HA ILE A 17 -0.756 -1.555 4.630 1.00 25.40 H new ATOM 0 HB ILE A 17 -1.548 1.014 6.084 1.00 52.24 H new ATOM 0 HG12 ILE A 17 -1.376 0.446 3.101 1.00 53.04 H new ATOM 0 HG13 ILE A 17 -2.867 0.579 4.013 1.00 53.04 H new ATOM 0 HG21 ILE A 17 0.453 1.982 5.011 1.00 31.32 H new ATOM 0 HG22 ILE A 17 0.872 0.638 6.100 1.00 31.32 H new ATOM 0 HG23 ILE A 17 0.860 0.386 4.338 1.00 31.32 H new ATOM 0 HD11 ILE A 17 -2.385 2.656 2.814 1.00 44.01 H new ATOM 0 HD12 ILE A 17 -2.331 2.924 4.572 1.00 44.01 H new ATOM 0 HD13 ILE A 17 -0.817 2.789 3.646 1.00 44.01 H new ATOM 262 N GLU A 18 0.555 -2.125 6.702 1.00 11.22 N ATOM 263 CA GLU A 18 1.315 -2.494 7.899 1.00 34.11 C ATOM 264 C GLU A 18 2.414 -1.463 8.194 1.00 50.44 C ATOM 265 O GLU A 18 2.509 -0.931 9.301 1.00 31.51 O ATOM 266 CB GLU A 18 1.952 -3.878 7.726 1.00 35.31 C ATOM 267 CG GLU A 18 2.671 -4.371 8.979 1.00 71.34 C ATOM 268 CD GLU A 18 3.597 -5.547 8.712 1.00 45.10 C ATOM 269 OE1 GLU A 18 3.105 -6.683 8.592 1.00 21.22 O ATOM 270 OE2 GLU A 18 4.824 -5.328 8.617 1.00 71.22 O ATOM 0 H GLU A 18 0.949 -2.474 5.828 1.00 11.22 H new ATOM 0 HA GLU A 18 0.619 -2.518 8.737 1.00 34.11 H new ATOM 0 HB2 GLU A 18 1.178 -4.595 7.453 1.00 35.31 H new ATOM 0 HB3 GLU A 18 2.661 -3.844 6.898 1.00 35.31 H new ATOM 0 HG2 GLU A 18 3.249 -3.551 9.405 1.00 71.34 H new ATOM 0 HG3 GLU A 18 1.931 -4.661 9.725 1.00 71.34 H new ATOM 277 N GLU A 19 3.236 -1.181 7.187 1.00 55.20 N ATOM 278 CA GLU A 19 4.381 -0.284 7.350 1.00 14.13 C ATOM 279 C GLU A 19 4.815 0.318 6.004 1.00 74.32 C ATOM 280 O GLU A 19 4.508 -0.219 4.940 1.00 53.10 O ATOM 281 CB GLU A 19 5.551 -1.055 7.982 1.00 64.55 C ATOM 282 CG GLU A 19 6.794 -0.209 8.232 1.00 61.10 C ATOM 283 CD GLU A 19 7.950 -1.022 8.778 1.00 73.22 C ATOM 284 OE1 GLU A 19 8.728 -1.576 7.973 1.00 0.41 O ATOM 285 OE2 GLU A 19 8.081 -1.123 10.014 1.00 43.43 O ATOM 0 H GLU A 19 3.132 -1.561 6.246 1.00 55.20 H new ATOM 0 HA GLU A 19 4.085 0.536 8.004 1.00 14.13 H new ATOM 0 HB2 GLU A 19 5.220 -1.483 8.928 1.00 64.55 H new ATOM 0 HB3 GLU A 19 5.817 -1.888 7.331 1.00 64.55 H new ATOM 0 HG2 GLU A 19 7.098 0.268 7.300 1.00 61.10 H new ATOM 0 HG3 GLU A 19 6.551 0.588 8.934 1.00 61.10 H new ATOM 292 N ILE A 20 5.515 1.446 6.063 1.00 54.43 N ATOM 293 CA ILE A 20 6.084 2.088 4.874 1.00 61.45 C ATOM 294 C ILE A 20 7.587 2.331 5.084 1.00 11.21 C ATOM 295 O ILE A 20 8.015 2.631 6.200 1.00 10.23 O ATOM 296 CB ILE A 20 5.382 3.441 4.577 1.00 51.23 C ATOM 297 CG1 ILE A 20 3.861 3.240 4.433 1.00 71.34 C ATOM 298 CG2 ILE A 20 5.961 4.088 3.316 1.00 51.55 C ATOM 299 CD1 ILE A 20 3.084 4.519 4.190 1.00 31.40 C ATOM 0 H ILE A 20 5.706 1.943 6.933 1.00 54.43 H new ATOM 0 HA ILE A 20 5.929 1.423 4.024 1.00 61.45 H new ATOM 0 HB ILE A 20 5.564 4.111 5.417 1.00 51.23 H new ATOM 0 HG12 ILE A 20 3.673 2.552 3.608 1.00 71.34 H new ATOM 0 HG13 ILE A 20 3.482 2.764 5.337 1.00 71.34 H new ATOM 0 HG21 ILE A 20 5.454 5.034 3.127 1.00 51.55 H new ATOM 0 HG22 ILE A 20 7.027 4.269 3.456 1.00 51.55 H new ATOM 0 HG23 ILE A 20 5.815 3.422 2.465 1.00 51.55 H new ATOM 0 HD11 ILE A 20 2.022 4.288 4.101 1.00 31.40 H new ATOM 0 HD12 ILE A 20 3.238 5.202 5.025 1.00 31.40 H new ATOM 0 HD13 ILE A 20 3.432 4.987 3.269 1.00 31.40 H new ATOM 311 N ASP A 21 8.385 2.191 4.020 1.00 42.01 N ATOM 312 CA ASP A 21 9.834 2.410 4.109 1.00 63.33 C ATOM 313 C ASP A 21 10.157 3.831 4.614 1.00 15.45 C ATOM 314 O ASP A 21 9.535 4.809 4.194 1.00 2.35 O ATOM 315 CB ASP A 21 10.496 2.162 2.744 1.00 41.43 C ATOM 316 CG ASP A 21 11.999 2.395 2.773 1.00 50.14 C ATOM 317 OD1 ASP A 21 12.687 1.787 3.617 1.00 61.43 O ATOM 318 OD2 ASP A 21 12.499 3.186 1.946 1.00 70.41 O ATOM 0 H ASP A 21 8.055 1.928 3.091 1.00 42.01 H new ATOM 0 HA ASP A 21 10.237 1.700 4.831 1.00 63.33 H new ATOM 0 HB2 ASP A 21 10.297 1.138 2.428 1.00 41.43 H new ATOM 0 HB3 ASP A 21 10.044 2.819 2.000 1.00 41.43 H new ATOM 323 N VAL A 22 11.140 3.929 5.510 1.00 72.12 N ATOM 324 CA VAL A 22 11.496 5.203 6.146 1.00 75.24 C ATOM 325 C VAL A 22 12.051 6.224 5.136 1.00 73.31 C ATOM 326 O VAL A 22 11.788 7.421 5.244 1.00 23.23 O ATOM 327 CB VAL A 22 12.523 4.988 7.292 1.00 42.22 C ATOM 328 CG1 VAL A 22 13.821 4.376 6.768 1.00 24.43 C ATOM 329 CG2 VAL A 22 12.794 6.296 8.035 1.00 50.04 C ATOM 0 H VAL A 22 11.708 3.138 5.814 1.00 72.12 H new ATOM 0 HA VAL A 22 10.574 5.609 6.562 1.00 75.24 H new ATOM 0 HB VAL A 22 12.088 4.282 7.999 1.00 42.22 H new ATOM 0 HG11 VAL A 22 14.518 4.238 7.595 1.00 24.43 H new ATOM 0 HG12 VAL A 22 13.609 3.411 6.308 1.00 24.43 H new ATOM 0 HG13 VAL A 22 14.264 5.041 6.027 1.00 24.43 H new ATOM 0 HG21 VAL A 22 13.516 6.119 8.832 1.00 50.04 H new ATOM 0 HG22 VAL A 22 13.195 7.033 7.339 1.00 50.04 H new ATOM 0 HG23 VAL A 22 11.864 6.670 8.464 1.00 50.04 H new ATOM 339 N ASP A 23 12.808 5.746 4.152 1.00 33.40 N ATOM 340 CA ASP A 23 13.361 6.618 3.116 1.00 23.02 C ATOM 341 C ASP A 23 12.309 6.899 2.033 1.00 62.12 C ATOM 342 O ASP A 23 11.795 8.018 1.919 1.00 41.23 O ATOM 343 CB ASP A 23 14.614 5.978 2.505 1.00 73.45 C ATOM 344 CG ASP A 23 15.240 6.834 1.420 1.00 21.32 C ATOM 345 OD1 ASP A 23 15.941 7.810 1.754 1.00 42.31 O ATOM 346 OD2 ASP A 23 15.043 6.532 0.226 1.00 75.03 O ATOM 0 H ASP A 23 13.053 4.761 4.049 1.00 33.40 H new ATOM 0 HA ASP A 23 13.643 7.569 3.568 1.00 23.02 H new ATOM 0 HB2 ASP A 23 15.348 5.802 3.292 1.00 73.45 H new ATOM 0 HB3 ASP A 23 14.354 5.005 2.089 1.00 73.45 H new ATOM 351 N GLY A 24 11.985 5.881 1.238 1.00 10.22 N ATOM 352 CA GLY A 24 10.946 6.035 0.232 1.00 74.40 C ATOM 353 C GLY A 24 11.043 5.065 -0.941 1.00 20.21 C ATOM 354 O GLY A 24 10.774 5.446 -2.081 1.00 24.31 O ATOM 0 H GLY A 24 12.420 4.959 1.272 1.00 10.22 H new ATOM 0 HA2 GLY A 24 9.975 5.909 0.711 1.00 74.40 H new ATOM 0 HA3 GLY A 24 10.981 7.054 -0.153 1.00 74.40 H new ATOM 358 N LYS A 25 11.409 3.812 -0.674 1.00 31.31 N ATOM 359 CA LYS A 25 11.480 2.788 -1.731 1.00 65.14 C ATOM 360 C LYS A 25 10.144 2.050 -1.925 1.00 21.11 C ATOM 361 O LYS A 25 9.653 1.934 -3.050 1.00 64.32 O ATOM 362 CB LYS A 25 12.593 1.761 -1.445 1.00 10.12 C ATOM 363 CG LYS A 25 13.986 2.177 -1.924 1.00 54.44 C ATOM 364 CD LYS A 25 14.578 3.307 -1.092 1.00 20.51 C ATOM 365 CE LYS A 25 16.004 3.629 -1.526 1.00 52.22 C ATOM 366 NZ LYS A 25 16.682 4.552 -0.581 1.00 45.32 N ATOM 0 H LYS A 25 11.660 3.477 0.256 1.00 31.31 H new ATOM 0 HA LYS A 25 11.711 3.323 -2.652 1.00 65.14 H new ATOM 0 HB2 LYS A 25 12.633 1.578 -0.371 1.00 10.12 H new ATOM 0 HB3 LYS A 25 12.328 0.816 -1.920 1.00 10.12 H new ATOM 0 HG2 LYS A 25 14.652 1.315 -1.885 1.00 54.44 H new ATOM 0 HG3 LYS A 25 13.929 2.490 -2.967 1.00 54.44 H new ATOM 0 HD2 LYS A 25 13.956 4.197 -1.190 1.00 20.51 H new ATOM 0 HD3 LYS A 25 14.571 3.027 -0.038 1.00 20.51 H new ATOM 0 HE2 LYS A 25 16.576 2.705 -1.602 1.00 52.22 H new ATOM 0 HE3 LYS A 25 15.987 4.077 -2.520 1.00 52.22 H new ATOM 0 HZ1 LYS A 25 17.654 4.730 -0.906 1.00 45.32 H new ATOM 0 HZ2 LYS A 25 16.161 5.451 -0.540 1.00 45.32 H new ATOM 0 HZ3 LYS A 25 16.707 4.123 0.366 1.00 45.32 H new ATOM 380 N PHE A 26 9.553 1.549 -0.837 1.00 4.22 N ATOM 381 CA PHE A 26 8.376 0.674 -0.951 1.00 12.00 C ATOM 382 C PHE A 26 7.356 0.863 0.190 1.00 22.13 C ATOM 383 O PHE A 26 7.663 1.431 1.240 1.00 25.11 O ATOM 384 CB PHE A 26 8.826 -0.794 -0.995 1.00 35.40 C ATOM 385 CG PHE A 26 9.584 -1.243 0.235 1.00 60.52 C ATOM 386 CD1 PHE A 26 10.956 -1.059 0.329 1.00 24.43 C ATOM 387 CD2 PHE A 26 8.921 -1.851 1.296 1.00 30.40 C ATOM 388 CE1 PHE A 26 11.651 -1.470 1.451 1.00 2.50 C ATOM 389 CE2 PHE A 26 9.612 -2.263 2.418 1.00 0.21 C ATOM 390 CZ PHE A 26 10.978 -2.073 2.496 1.00 21.11 C ATOM 0 H PHE A 26 9.861 1.728 0.119 1.00 4.22 H new ATOM 0 HA PHE A 26 7.870 0.953 -1.875 1.00 12.00 H new ATOM 0 HB2 PHE A 26 7.949 -1.429 -1.120 1.00 35.40 H new ATOM 0 HB3 PHE A 26 9.456 -0.944 -1.872 1.00 35.40 H new ATOM 0 HD1 PHE A 26 11.488 -0.589 -0.485 1.00 24.43 H new ATOM 0 HD2 PHE A 26 7.853 -2.003 1.241 1.00 30.40 H new ATOM 0 HE1 PHE A 26 12.719 -1.320 1.511 1.00 2.50 H new ATOM 0 HE2 PHE A 26 9.085 -2.734 3.235 1.00 0.21 H new ATOM 0 HZ PHE A 26 11.519 -2.396 3.373 1.00 21.11 H new ATOM 400 N ILE A 27 6.135 0.374 -0.043 1.00 52.10 N ATOM 401 CA ILE A 27 5.077 0.330 0.980 1.00 72.21 C ATOM 402 C ILE A 27 4.640 -1.127 1.219 1.00 12.13 C ATOM 403 O ILE A 27 4.488 -1.892 0.269 1.00 70.22 O ATOM 404 CB ILE A 27 3.842 1.168 0.549 1.00 15.34 C ATOM 405 CG1 ILE A 27 4.244 2.634 0.297 1.00 23.33 C ATOM 406 CG2 ILE A 27 2.730 1.083 1.599 1.00 31.41 C ATOM 407 CD1 ILE A 27 3.101 3.518 -0.169 1.00 14.03 C ATOM 0 H ILE A 27 5.848 -0.004 -0.946 1.00 52.10 H new ATOM 0 HA ILE A 27 5.482 0.754 1.899 1.00 72.21 H new ATOM 0 HB ILE A 27 3.458 0.753 -0.383 1.00 15.34 H new ATOM 0 HG12 ILE A 27 4.659 3.049 1.216 1.00 23.33 H new ATOM 0 HG13 ILE A 27 5.037 2.659 -0.451 1.00 23.33 H new ATOM 0 HG21 ILE A 27 1.876 1.678 1.274 1.00 31.41 H new ATOM 0 HG22 ILE A 27 2.423 0.044 1.721 1.00 31.41 H new ATOM 0 HG23 ILE A 27 3.098 1.466 2.551 1.00 31.41 H new ATOM 0 HD11 ILE A 27 3.466 4.533 -0.324 1.00 14.03 H new ATOM 0 HD12 ILE A 27 2.699 3.130 -1.105 1.00 14.03 H new ATOM 0 HD13 ILE A 27 2.316 3.526 0.587 1.00 14.03 H new ATOM 419 N ARG A 28 4.438 -1.517 2.479 1.00 11.44 N ATOM 420 CA ARG A 28 4.108 -2.914 2.802 1.00 32.11 C ATOM 421 C ARG A 28 2.699 -3.055 3.419 1.00 5.44 C ATOM 422 O ARG A 28 2.419 -2.533 4.502 1.00 31.23 O ATOM 423 CB ARG A 28 5.168 -3.495 3.749 1.00 2.20 C ATOM 424 CG ARG A 28 5.053 -5.005 3.952 1.00 40.31 C ATOM 425 CD ARG A 28 6.214 -5.559 4.774 1.00 10.02 C ATOM 426 NE ARG A 28 6.217 -5.056 6.145 1.00 1.15 N ATOM 427 CZ ARG A 28 7.237 -4.471 6.717 1.00 32.10 C ATOM 428 NH1 ARG A 28 8.345 -4.274 6.073 1.00 54.42 N ATOM 429 NH2 ARG A 28 7.148 -4.095 7.948 1.00 71.35 N ATOM 0 H ARG A 28 4.495 -0.897 3.287 1.00 11.44 H new ATOM 0 HA ARG A 28 4.105 -3.476 1.868 1.00 32.11 H new ATOM 0 HB2 ARG A 28 6.158 -3.265 3.356 1.00 2.20 H new ATOM 0 HB3 ARG A 28 5.087 -3.001 4.717 1.00 2.20 H new ATOM 0 HG2 ARG A 28 4.112 -5.233 4.453 1.00 40.31 H new ATOM 0 HG3 ARG A 28 5.026 -5.501 2.982 1.00 40.31 H new ATOM 0 HD2 ARG A 28 6.157 -6.647 4.790 1.00 10.02 H new ATOM 0 HD3 ARG A 28 7.155 -5.296 4.291 1.00 10.02 H new ATOM 0 HE ARG A 28 5.365 -5.169 6.694 1.00 1.15 H new ATOM 0 HH11 ARG A 28 8.432 -4.577 5.103 1.00 54.42 H new ATOM 0 HH12 ARG A 28 9.130 -3.816 6.536 1.00 54.42 H new ATOM 0 HH21 ARG A 28 6.286 -4.255 8.469 1.00 71.35 H new ATOM 0 HH22 ARG A 28 7.940 -3.638 8.400 1.00 71.35 H new ATOM 443 N LEU A 29 1.816 -3.768 2.714 1.00 1.41 N ATOM 444 CA LEU A 29 0.452 -4.042 3.200 1.00 44.12 C ATOM 445 C LEU A 29 0.319 -5.507 3.650 1.00 12.22 C ATOM 446 O LEU A 29 0.979 -6.390 3.105 1.00 14.33 O ATOM 447 CB LEU A 29 -0.592 -3.749 2.105 1.00 32.23 C ATOM 448 CG LEU A 29 -0.701 -2.284 1.629 1.00 2.43 C ATOM 449 CD1 LEU A 29 0.535 -1.857 0.840 1.00 4.52 C ATOM 450 CD2 LEU A 29 -1.962 -2.084 0.791 1.00 30.10 C ATOM 0 H LEU A 29 2.019 -4.170 1.799 1.00 1.41 H new ATOM 0 HA LEU A 29 0.268 -3.386 4.051 1.00 44.12 H new ATOM 0 HB2 LEU A 29 -0.363 -4.372 1.240 1.00 32.23 H new ATOM 0 HB3 LEU A 29 -1.569 -4.061 2.473 1.00 32.23 H new ATOM 0 HG LEU A 29 -0.764 -1.654 2.516 1.00 2.43 H new ATOM 0 HD11 LEU A 29 0.423 -0.821 0.521 1.00 4.52 H new ATOM 0 HD12 LEU A 29 1.419 -1.949 1.471 1.00 4.52 H new ATOM 0 HD13 LEU A 29 0.646 -2.496 -0.036 1.00 4.52 H new ATOM 0 HD21 LEU A 29 -2.021 -1.046 0.465 1.00 30.10 H new ATOM 0 HD22 LEU A 29 -1.927 -2.737 -0.081 1.00 30.10 H new ATOM 0 HD23 LEU A 29 -2.839 -2.327 1.390 1.00 30.10 H new ATOM 462 N LYS A 30 -0.545 -5.766 4.631 1.00 52.43 N ATOM 463 CA LYS A 30 -0.732 -7.125 5.157 1.00 43.31 C ATOM 464 C LYS A 30 -2.203 -7.572 5.072 1.00 3.24 C ATOM 465 O LYS A 30 -3.112 -6.839 5.470 1.00 72.10 O ATOM 466 CB LYS A 30 -0.264 -7.199 6.620 1.00 24.53 C ATOM 467 CG LYS A 30 -0.375 -8.600 7.226 1.00 40.43 C ATOM 468 CD LYS A 30 -0.069 -8.610 8.720 1.00 53.34 C ATOM 469 CE LYS A 30 -0.155 -10.022 9.294 1.00 40.23 C ATOM 470 NZ LYS A 30 -0.041 -10.030 10.775 1.00 72.51 N ATOM 0 H LYS A 30 -1.127 -5.058 5.079 1.00 52.43 H new ATOM 0 HA LYS A 30 -0.133 -7.796 4.541 1.00 43.31 H new ATOM 0 HB2 LYS A 30 0.773 -6.867 6.679 1.00 24.53 H new ATOM 0 HB3 LYS A 30 -0.855 -6.505 7.218 1.00 24.53 H new ATOM 0 HG2 LYS A 30 -1.381 -8.986 7.061 1.00 40.43 H new ATOM 0 HG3 LYS A 30 0.313 -9.271 6.712 1.00 40.43 H new ATOM 0 HD2 LYS A 30 0.928 -8.205 8.892 1.00 53.34 H new ATOM 0 HD3 LYS A 30 -0.771 -7.960 9.242 1.00 53.34 H new ATOM 0 HE2 LYS A 30 -1.102 -10.475 9.001 1.00 40.23 H new ATOM 0 HE3 LYS A 30 0.638 -10.636 8.866 1.00 40.23 H new ATOM 0 HZ1 LYS A 30 -0.104 -11.008 11.123 1.00 72.51 H new ATOM 0 HZ2 LYS A 30 0.874 -9.622 11.055 1.00 72.51 H new ATOM 0 HZ3 LYS A 30 -0.812 -9.466 11.186 1.00 72.51 H new ATOM 484 N ASN A 31 -2.431 -8.778 4.553 1.00 72.02 N ATOM 485 CA ASN A 31 -3.770 -9.381 4.563 1.00 32.21 C ATOM 486 C ASN A 31 -4.019 -10.121 5.887 1.00 24.22 C ATOM 487 O ASN A 31 -3.393 -11.143 6.163 1.00 64.04 O ATOM 488 CB ASN A 31 -3.935 -10.349 3.381 1.00 54.24 C ATOM 489 CG ASN A 31 -5.259 -11.097 3.414 1.00 34.03 C ATOM 490 OD1 ASN A 31 -6.248 -10.615 3.953 1.00 32.24 O ATOM 491 ND2 ASN A 31 -5.292 -12.274 2.828 1.00 51.15 N ATOM 0 H ASN A 31 -1.711 -9.357 4.121 1.00 72.02 H new ATOM 0 HA ASN A 31 -4.504 -8.581 4.466 1.00 32.21 H new ATOM 0 HB2 ASN A 31 -3.861 -9.792 2.447 1.00 54.24 H new ATOM 0 HB3 ASN A 31 -3.116 -11.068 3.389 1.00 54.24 H new ATOM 0 HD21 ASN A 31 -6.158 -12.812 2.814 1.00 51.15 H new ATOM 0 HD22 ASN A 31 -4.451 -12.648 2.388 1.00 51.15 H new ATOM 498 N THR A 32 -4.933 -9.604 6.701 1.00 4.23 N ATOM 499 CA THR A 32 -5.223 -10.208 8.011 1.00 40.11 C ATOM 500 C THR A 32 -6.472 -11.105 7.964 1.00 31.55 C ATOM 501 O THR A 32 -7.016 -11.486 9.003 1.00 65.32 O ATOM 502 CB THR A 32 -5.403 -9.127 9.106 1.00 32.42 C ATOM 503 OG1 THR A 32 -5.492 -9.744 10.402 1.00 10.12 O ATOM 504 CG2 THR A 32 -6.646 -8.277 8.852 1.00 51.12 C ATOM 0 H THR A 32 -5.486 -8.774 6.486 1.00 4.23 H new ATOM 0 HA THR A 32 -4.362 -10.827 8.263 1.00 40.11 H new ATOM 0 HB THR A 32 -4.532 -8.473 9.074 1.00 32.42 H new ATOM 0 HG1 THR A 32 -6.062 -10.539 10.347 1.00 10.12 H new ATOM 0 HG21 THR A 32 -6.742 -7.529 9.639 1.00 51.12 H new ATOM 0 HG22 THR A 32 -6.555 -7.779 7.887 1.00 51.12 H new ATOM 0 HG23 THR A 32 -7.529 -8.916 8.849 1.00 51.12 H new ATOM 512 N SER A 33 -6.915 -11.447 6.754 1.00 23.23 N ATOM 513 CA SER A 33 -8.073 -12.336 6.570 1.00 35.24 C ATOM 514 C SER A 33 -7.649 -13.812 6.558 1.00 23.13 C ATOM 515 O SER A 33 -6.477 -14.135 6.731 1.00 14.35 O ATOM 516 CB SER A 33 -8.802 -11.994 5.264 1.00 61.43 C ATOM 517 OG SER A 33 -9.930 -12.840 5.059 1.00 54.14 O ATOM 0 H SER A 33 -6.492 -11.124 5.884 1.00 23.23 H new ATOM 0 HA SER A 33 -8.748 -12.182 7.412 1.00 35.24 H new ATOM 0 HB2 SER A 33 -9.126 -10.954 5.289 1.00 61.43 H new ATOM 0 HB3 SER A 33 -8.114 -12.094 4.425 1.00 61.43 H new ATOM 0 HG SER A 33 -10.374 -12.596 4.220 1.00 54.14 H new ATOM 523 N GLU A 34 -8.615 -14.702 6.347 1.00 61.10 N ATOM 524 CA GLU A 34 -8.359 -16.151 6.329 1.00 61.44 C ATOM 525 C GLU A 34 -8.232 -16.688 4.889 1.00 2.12 C ATOM 526 O GLU A 34 -7.676 -17.764 4.656 1.00 51.33 O ATOM 527 CB GLU A 34 -9.509 -16.879 7.045 1.00 64.11 C ATOM 528 CG GLU A 34 -9.784 -16.368 8.459 1.00 63.01 C ATOM 529 CD GLU A 34 -10.995 -17.028 9.100 1.00 14.04 C ATOM 530 OE1 GLU A 34 -12.125 -16.813 8.609 1.00 55.13 O ATOM 531 OE2 GLU A 34 -10.830 -17.768 10.094 1.00 71.24 O ATOM 0 H GLU A 34 -9.590 -14.449 6.185 1.00 61.10 H new ATOM 0 HA GLU A 34 -7.415 -16.334 6.842 1.00 61.44 H new ATOM 0 HB2 GLU A 34 -10.416 -16.777 6.450 1.00 64.11 H new ATOM 0 HB3 GLU A 34 -9.278 -17.943 7.093 1.00 64.11 H new ATOM 0 HG2 GLU A 34 -8.907 -16.546 9.081 1.00 63.01 H new ATOM 0 HG3 GLU A 34 -9.938 -15.289 8.427 1.00 63.01 H new ATOM 538 N GLN A 35 -8.757 -15.929 3.931 1.00 61.23 N ATOM 539 CA GLN A 35 -8.823 -16.365 2.528 1.00 40.13 C ATOM 540 C GLN A 35 -7.720 -15.720 1.668 1.00 21.10 C ATOM 541 O GLN A 35 -7.194 -14.657 2.004 1.00 4.02 O ATOM 542 CB GLN A 35 -10.206 -16.012 1.951 1.00 53.33 C ATOM 543 CG GLN A 35 -10.359 -16.292 0.458 1.00 13.04 C ATOM 544 CD GLN A 35 -11.722 -15.894 -0.079 1.00 4.10 C ATOM 545 OE1 GLN A 35 -12.648 -16.699 -0.131 1.00 13.14 O ATOM 546 NE2 GLN A 35 -11.860 -14.646 -0.475 1.00 1.13 N ATOM 0 H GLN A 35 -9.147 -15.001 4.097 1.00 61.23 H new ATOM 0 HA GLN A 35 -8.666 -17.443 2.504 1.00 40.13 H new ATOM 0 HB2 GLN A 35 -10.966 -16.574 2.493 1.00 53.33 H new ATOM 0 HB3 GLN A 35 -10.402 -14.955 2.132 1.00 53.33 H new ATOM 0 HG2 GLN A 35 -9.586 -15.752 -0.089 1.00 13.04 H new ATOM 0 HG3 GLN A 35 -10.197 -17.354 0.274 1.00 13.04 H new ATOM 0 HE21 GLN A 35 -11.070 -14.003 -0.418 1.00 1.13 H new ATOM 0 HE22 GLN A 35 -12.756 -14.322 -0.838 1.00 1.13 H new ATOM 555 N ASP A 36 -7.372 -16.383 0.563 1.00 51.33 N ATOM 556 CA ASP A 36 -6.467 -15.809 -0.438 1.00 52.00 C ATOM 557 C ASP A 36 -7.114 -14.571 -1.092 1.00 62.05 C ATOM 558 O ASP A 36 -7.842 -14.685 -2.081 1.00 41.42 O ATOM 559 CB ASP A 36 -6.132 -16.856 -1.511 1.00 42.14 C ATOM 560 CG ASP A 36 -5.584 -18.146 -0.922 1.00 5.22 C ATOM 561 OD1 ASP A 36 -6.386 -18.985 -0.469 1.00 32.03 O ATOM 562 OD2 ASP A 36 -4.354 -18.337 -0.921 1.00 21.43 O ATOM 0 H ASP A 36 -7.704 -17.321 0.337 1.00 51.33 H new ATOM 0 HA ASP A 36 -5.545 -15.505 0.057 1.00 52.00 H new ATOM 0 HB2 ASP A 36 -7.029 -17.078 -2.089 1.00 42.14 H new ATOM 0 HB3 ASP A 36 -5.401 -16.439 -2.204 1.00 42.14 H new ATOM 567 N GLN A 37 -6.863 -13.397 -0.522 1.00 50.51 N ATOM 568 CA GLN A 37 -7.532 -12.165 -0.954 1.00 53.41 C ATOM 569 C GLN A 37 -6.964 -11.608 -2.267 1.00 73.45 C ATOM 570 O GLN A 37 -5.799 -11.222 -2.334 1.00 55.41 O ATOM 571 CB GLN A 37 -7.439 -11.101 0.148 1.00 22.22 C ATOM 572 CG GLN A 37 -8.307 -11.406 1.360 1.00 52.23 C ATOM 573 CD GLN A 37 -9.786 -11.463 1.014 1.00 51.24 C ATOM 574 OE1 GLN A 37 -10.332 -12.516 0.702 1.00 12.44 O ATOM 575 NE2 GLN A 37 -10.443 -10.320 1.052 1.00 23.10 N ATOM 0 H GLN A 37 -6.200 -13.268 0.242 1.00 50.51 H new ATOM 0 HA GLN A 37 -8.576 -12.420 -1.139 1.00 53.41 H new ATOM 0 HB2 GLN A 37 -6.401 -11.010 0.468 1.00 22.22 H new ATOM 0 HB3 GLN A 37 -7.731 -10.135 -0.265 1.00 22.22 H new ATOM 0 HG2 GLN A 37 -8.001 -12.359 1.792 1.00 52.23 H new ATOM 0 HG3 GLN A 37 -8.144 -10.643 2.121 1.00 52.23 H new ATOM 0 HE21 GLN A 37 -9.959 -9.462 1.316 1.00 23.10 H new ATOM 0 HE22 GLN A 37 -11.435 -10.294 0.818 1.00 23.10 H new ATOM 584 N PRO A 38 -7.786 -11.549 -3.332 1.00 73.10 N ATOM 585 CA PRO A 38 -7.367 -10.962 -4.612 1.00 42.12 C ATOM 586 C PRO A 38 -7.151 -9.445 -4.510 1.00 24.51 C ATOM 587 O PRO A 38 -7.872 -8.752 -3.793 1.00 52.32 O ATOM 588 CB PRO A 38 -8.538 -11.283 -5.554 1.00 24.31 C ATOM 589 CG PRO A 38 -9.716 -11.443 -4.653 1.00 11.43 C ATOM 590 CD PRO A 38 -9.181 -12.039 -3.377 1.00 11.11 C ATOM 0 HA PRO A 38 -6.412 -11.362 -4.954 1.00 42.12 H new ATOM 0 HB2 PRO A 38 -8.697 -10.481 -6.275 1.00 24.31 H new ATOM 0 HB3 PRO A 38 -8.349 -12.192 -6.125 1.00 24.31 H new ATOM 0 HG2 PRO A 38 -10.197 -10.483 -4.464 1.00 11.43 H new ATOM 0 HG3 PRO A 38 -10.467 -12.093 -5.103 1.00 11.43 H new ATOM 0 HD2 PRO A 38 -9.751 -11.709 -2.509 1.00 11.11 H new ATOM 0 HD3 PRO A 38 -9.225 -13.128 -3.392 1.00 11.11 H new ATOM 598 N MET A 39 -6.155 -8.935 -5.235 1.00 24.03 N ATOM 599 CA MET A 39 -5.837 -7.498 -5.229 1.00 52.12 C ATOM 600 C MET A 39 -7.088 -6.635 -5.516 1.00 11.15 C ATOM 601 O MET A 39 -7.172 -5.479 -5.096 1.00 31.14 O ATOM 602 CB MET A 39 -4.741 -7.218 -6.265 1.00 62.11 C ATOM 603 CG MET A 39 -4.061 -5.856 -6.138 1.00 54.34 C ATOM 604 SD MET A 39 -2.694 -5.841 -4.953 1.00 54.20 S ATOM 605 CE MET A 39 -3.541 -5.928 -3.377 1.00 53.44 C ATOM 0 H MET A 39 -5.550 -9.494 -5.837 1.00 24.03 H new ATOM 0 HA MET A 39 -5.480 -7.227 -4.235 1.00 52.12 H new ATOM 0 HB2 MET A 39 -3.981 -7.995 -6.186 1.00 62.11 H new ATOM 0 HB3 MET A 39 -5.176 -7.298 -7.261 1.00 62.11 H new ATOM 0 HG2 MET A 39 -3.687 -5.553 -7.116 1.00 54.34 H new ATOM 0 HG3 MET A 39 -4.802 -5.115 -5.836 1.00 54.34 H new ATOM 0 HE1 MET A 39 -2.950 -5.415 -2.618 1.00 53.44 H new ATOM 0 HE2 MET A 39 -4.517 -5.450 -3.462 1.00 53.44 H new ATOM 0 HE3 MET A 39 -3.672 -6.972 -3.091 1.00 53.44 H new ATOM 615 N GLY A 40 -8.051 -7.214 -6.238 1.00 2.32 N ATOM 616 CA GLY A 40 -9.335 -6.560 -6.479 1.00 73.32 C ATOM 617 C GLY A 40 -9.248 -5.286 -7.316 1.00 71.34 C ATOM 618 O GLY A 40 -9.161 -5.340 -8.545 1.00 22.30 O ATOM 0 H GLY A 40 -7.963 -8.136 -6.665 1.00 2.32 H new ATOM 0 HA2 GLY A 40 -9.999 -7.264 -6.980 1.00 73.32 H new ATOM 0 HA3 GLY A 40 -9.792 -6.319 -5.519 1.00 73.32 H new ATOM 622 N GLY A 41 -9.288 -4.140 -6.646 1.00 53.52 N ATOM 623 CA GLY A 41 -9.277 -2.853 -7.336 1.00 34.33 C ATOM 624 C GLY A 41 -9.518 -1.690 -6.383 1.00 64.24 C ATOM 625 O GLY A 41 -10.430 -0.885 -6.586 1.00 42.42 O ATOM 0 H GLY A 41 -9.328 -4.074 -5.629 1.00 53.52 H new ATOM 0 HA2 GLY A 41 -8.318 -2.719 -7.836 1.00 34.33 H new ATOM 0 HA3 GLY A 41 -10.044 -2.851 -8.111 1.00 34.33 H new ATOM 629 N TRP A 42 -8.698 -1.606 -5.339 1.00 61.13 N ATOM 630 CA TRP A 42 -8.884 -0.609 -4.277 1.00 10.31 C ATOM 631 C TRP A 42 -8.149 0.706 -4.583 1.00 34.22 C ATOM 632 O TRP A 42 -7.137 0.722 -5.287 1.00 44.15 O ATOM 633 CB TRP A 42 -8.402 -1.179 -2.935 1.00 20.15 C ATOM 634 CG TRP A 42 -9.017 -2.511 -2.601 1.00 74.32 C ATOM 635 CD1 TRP A 42 -10.348 -2.821 -2.588 1.00 54.24 C ATOM 636 CD2 TRP A 42 -8.324 -3.709 -2.227 1.00 73.41 C ATOM 637 NE1 TRP A 42 -10.522 -4.138 -2.239 1.00 11.12 N ATOM 638 CE2 TRP A 42 -9.296 -4.704 -2.011 1.00 11.32 C ATOM 639 CE3 TRP A 42 -6.975 -4.039 -2.057 1.00 64.30 C ATOM 640 CZ2 TRP A 42 -8.964 -6.002 -1.634 1.00 41.45 C ATOM 641 CZ3 TRP A 42 -6.649 -5.329 -1.684 1.00 54.34 C ATOM 642 CH2 TRP A 42 -7.639 -6.296 -1.474 1.00 5.43 C ATOM 0 H TRP A 42 -7.893 -2.217 -5.201 1.00 61.13 H new ATOM 0 HA TRP A 42 -9.949 -0.383 -4.221 1.00 10.31 H new ATOM 0 HB2 TRP A 42 -7.317 -1.283 -2.961 1.00 20.15 H new ATOM 0 HB3 TRP A 42 -8.635 -0.469 -2.141 1.00 20.15 H new ATOM 0 HD1 TRP A 42 -11.146 -2.131 -2.818 1.00 54.24 H new ATOM 0 HE1 TRP A 42 -11.419 -4.617 -2.162 1.00 11.12 H new ATOM 0 HE3 TRP A 42 -6.203 -3.300 -2.214 1.00 64.30 H new ATOM 0 HZ2 TRP A 42 -9.726 -6.750 -1.474 1.00 41.45 H new ATOM 0 HZ3 TRP A 42 -5.611 -5.596 -1.552 1.00 54.34 H new ATOM 0 HH2 TRP A 42 -7.350 -7.294 -1.180 1.00 5.43 H new ATOM 653 N GLU A 43 -8.667 1.803 -4.035 1.00 2.53 N ATOM 654 CA GLU A 43 -8.083 3.133 -4.233 1.00 72.22 C ATOM 655 C GLU A 43 -7.176 3.527 -3.057 1.00 53.12 C ATOM 656 O GLU A 43 -7.626 3.628 -1.913 1.00 72.41 O ATOM 657 CB GLU A 43 -9.198 4.176 -4.398 1.00 52.44 C ATOM 658 CG GLU A 43 -8.694 5.619 -4.455 1.00 73.14 C ATOM 659 CD GLU A 43 -9.814 6.627 -4.659 1.00 14.11 C ATOM 660 OE1 GLU A 43 -10.729 6.691 -3.813 1.00 40.04 O ATOM 661 OE2 GLU A 43 -9.791 7.353 -5.677 1.00 71.01 O ATOM 0 H GLU A 43 -9.498 1.799 -3.444 1.00 2.53 H new ATOM 0 HA GLU A 43 -7.474 3.101 -5.137 1.00 72.22 H new ATOM 0 HB2 GLU A 43 -9.753 3.959 -5.311 1.00 52.44 H new ATOM 0 HB3 GLU A 43 -9.899 4.079 -3.569 1.00 52.44 H new ATOM 0 HG2 GLU A 43 -8.166 5.851 -3.530 1.00 73.14 H new ATOM 0 HG3 GLU A 43 -7.973 5.715 -5.266 1.00 73.14 H new ATOM 668 N MET A 44 -5.897 3.747 -3.350 1.00 63.13 N ATOM 669 CA MET A 44 -4.935 4.202 -2.344 1.00 31.13 C ATOM 670 C MET A 44 -4.719 5.722 -2.443 1.00 31.25 C ATOM 671 O MET A 44 -4.047 6.208 -3.356 1.00 12.11 O ATOM 672 CB MET A 44 -3.597 3.468 -2.514 1.00 10.32 C ATOM 673 CG MET A 44 -2.556 3.837 -1.468 1.00 40.12 C ATOM 674 SD MET A 44 -1.023 2.901 -1.641 1.00 43.21 S ATOM 675 CE MET A 44 -0.497 3.386 -3.286 1.00 12.41 C ATOM 0 H MET A 44 -5.499 3.617 -4.280 1.00 63.13 H new ATOM 0 HA MET A 44 -5.341 3.974 -1.358 1.00 31.13 H new ATOM 0 HB2 MET A 44 -3.775 2.393 -2.472 1.00 10.32 H new ATOM 0 HB3 MET A 44 -3.197 3.687 -3.504 1.00 10.32 H new ATOM 0 HG2 MET A 44 -2.336 4.902 -1.542 1.00 40.12 H new ATOM 0 HG3 MET A 44 -2.970 3.666 -0.474 1.00 40.12 H new ATOM 0 HE1 MET A 44 0.589 3.479 -3.308 1.00 12.41 H new ATOM 0 HE2 MET A 44 -0.811 2.630 -4.006 1.00 12.41 H new ATOM 0 HE3 MET A 44 -0.949 4.344 -3.545 1.00 12.41 H new ATOM 685 N ILE A 45 -5.300 6.462 -1.505 1.00 13.32 N ATOM 686 CA ILE A 45 -5.178 7.923 -1.477 1.00 20.15 C ATOM 687 C ILE A 45 -3.976 8.360 -0.633 1.00 72.01 C ATOM 688 O ILE A 45 -3.933 8.126 0.573 1.00 31.43 O ATOM 689 CB ILE A 45 -6.457 8.585 -0.908 1.00 74.22 C ATOM 690 CG1 ILE A 45 -7.690 8.146 -1.714 1.00 3.21 C ATOM 691 CG2 ILE A 45 -6.322 10.112 -0.907 1.00 64.11 C ATOM 692 CD1 ILE A 45 -8.988 8.728 -1.200 1.00 70.20 C ATOM 0 H ILE A 45 -5.864 6.075 -0.748 1.00 13.32 H new ATOM 0 HA ILE A 45 -5.035 8.248 -2.508 1.00 20.15 H new ATOM 0 HB ILE A 45 -6.586 8.257 0.124 1.00 74.22 H new ATOM 0 HG12 ILE A 45 -7.557 8.440 -2.755 1.00 3.21 H new ATOM 0 HG13 ILE A 45 -7.757 7.058 -1.696 1.00 3.21 H new ATOM 0 HG21 ILE A 45 -7.231 10.557 -0.503 1.00 64.11 H new ATOM 0 HG22 ILE A 45 -5.471 10.402 -0.290 1.00 64.11 H new ATOM 0 HG23 ILE A 45 -6.167 10.464 -1.927 1.00 64.11 H new ATOM 0 HD11 ILE A 45 -9.814 8.375 -1.817 1.00 70.20 H new ATOM 0 HD12 ILE A 45 -9.145 8.413 -0.168 1.00 70.20 H new ATOM 0 HD13 ILE A 45 -8.941 9.816 -1.244 1.00 70.20 H new ATOM 704 N ARG A 46 -3.003 8.995 -1.269 1.00 72.41 N ATOM 705 CA ARG A 46 -1.805 9.466 -0.570 1.00 52.40 C ATOM 706 C ARG A 46 -1.686 10.994 -0.625 1.00 73.32 C ATOM 707 O ARG A 46 -1.915 11.605 -1.669 1.00 32.12 O ATOM 708 CB ARG A 46 -0.552 8.830 -1.188 1.00 55.55 C ATOM 709 CG ARG A 46 0.751 9.324 -0.567 1.00 44.03 C ATOM 710 CD ARG A 46 1.977 8.749 -1.262 1.00 33.12 C ATOM 711 NE ARG A 46 3.212 9.286 -0.690 1.00 72.14 N ATOM 712 CZ ARG A 46 4.376 8.708 -0.775 1.00 34.20 C ATOM 713 NH1 ARG A 46 4.514 7.596 -1.427 1.00 25.01 N ATOM 714 NH2 ARG A 46 5.408 9.255 -0.214 1.00 61.11 N ATOM 0 H ARG A 46 -3.015 9.199 -2.268 1.00 72.41 H new ATOM 0 HA ARG A 46 -1.892 9.169 0.475 1.00 52.40 H new ATOM 0 HB2 ARG A 46 -0.611 7.747 -1.076 1.00 55.55 H new ATOM 0 HB3 ARG A 46 -0.538 9.040 -2.258 1.00 55.55 H new ATOM 0 HG2 ARG A 46 0.785 10.412 -0.617 1.00 44.03 H new ATOM 0 HG3 ARG A 46 0.774 9.052 0.488 1.00 44.03 H new ATOM 0 HD2 ARG A 46 1.974 7.663 -1.171 1.00 33.12 H new ATOM 0 HD3 ARG A 46 1.936 8.980 -2.327 1.00 33.12 H new ATOM 0 HE ARG A 46 3.158 10.174 -0.191 1.00 72.14 H new ATOM 0 HH11 ARG A 46 3.707 7.166 -1.879 1.00 25.01 H new ATOM 0 HH12 ARG A 46 5.430 7.151 -1.488 1.00 25.01 H new ATOM 0 HH21 ARG A 46 5.307 10.135 0.292 1.00 61.11 H new ATOM 0 HH22 ARG A 46 6.321 8.806 -0.278 1.00 61.11 H new ATOM 728 N LYS A 47 -1.320 11.604 0.500 1.00 52.01 N ATOM 729 CA LYS A 47 -1.073 13.046 0.546 1.00 51.54 C ATOM 730 C LYS A 47 0.236 13.352 1.289 1.00 33.12 C ATOM 731 O LYS A 47 0.382 13.048 2.474 1.00 54.13 O ATOM 732 CB LYS A 47 -2.251 13.776 1.207 1.00 14.13 C ATOM 733 CG LYS A 47 -2.179 15.297 1.083 1.00 11.42 C ATOM 734 CD LYS A 47 -3.437 15.975 1.623 1.00 44.14 C ATOM 735 CE LYS A 47 -3.397 17.484 1.409 1.00 62.12 C ATOM 736 NZ LYS A 47 -4.612 18.162 1.928 1.00 73.14 N ATOM 0 H LYS A 47 -1.188 11.125 1.391 1.00 52.01 H new ATOM 0 HA LYS A 47 -0.976 13.406 -0.478 1.00 51.54 H new ATOM 0 HB2 LYS A 47 -3.181 13.427 0.758 1.00 14.13 H new ATOM 0 HB3 LYS A 47 -2.287 13.508 2.263 1.00 14.13 H new ATOM 0 HG2 LYS A 47 -1.308 15.664 1.626 1.00 11.42 H new ATOM 0 HG3 LYS A 47 -2.041 15.569 0.037 1.00 11.42 H new ATOM 0 HD2 LYS A 47 -4.315 15.560 1.129 1.00 44.14 H new ATOM 0 HD3 LYS A 47 -3.539 15.760 2.687 1.00 44.14 H new ATOM 0 HE2 LYS A 47 -2.516 17.895 1.902 1.00 62.12 H new ATOM 0 HE3 LYS A 47 -3.293 17.695 0.345 1.00 62.12 H new ATOM 0 HZ1 LYS A 47 -4.537 19.185 1.759 1.00 73.14 H new ATOM 0 HZ2 LYS A 47 -5.452 17.791 1.440 1.00 73.14 H new ATOM 0 HZ3 LYS A 47 -4.699 17.985 2.949 1.00 73.14 H new ATOM 750 N ILE A 48 1.194 13.937 0.572 1.00 33.11 N ATOM 751 CA ILE A 48 2.501 14.280 1.146 1.00 11.43 C ATOM 752 C ILE A 48 2.689 15.804 1.212 1.00 53.44 C ATOM 753 O ILE A 48 2.664 16.494 0.190 1.00 12.23 O ATOM 754 CB ILE A 48 3.659 13.619 0.342 1.00 22.43 C ATOM 755 CG1 ILE A 48 5.029 14.047 0.899 1.00 71.12 C ATOM 756 CG2 ILE A 48 3.553 13.941 -1.145 1.00 3.33 C ATOM 757 CD1 ILE A 48 6.206 13.378 0.210 1.00 33.32 C ATOM 0 H ILE A 48 1.092 14.186 -0.412 1.00 33.11 H new ATOM 0 HA ILE A 48 2.529 13.888 2.163 1.00 11.43 H new ATOM 0 HB ILE A 48 3.568 12.539 0.456 1.00 22.43 H new ATOM 0 HG12 ILE A 48 5.129 15.128 0.801 1.00 71.12 H new ATOM 0 HG13 ILE A 48 5.065 13.818 1.964 1.00 71.12 H new ATOM 0 HG21 ILE A 48 4.375 13.466 -1.680 1.00 3.33 H new ATOM 0 HG22 ILE A 48 2.605 13.567 -1.531 1.00 3.33 H new ATOM 0 HG23 ILE A 48 3.603 15.020 -1.288 1.00 3.33 H new ATOM 0 HD11 ILE A 48 7.136 13.729 0.656 1.00 33.32 H new ATOM 0 HD12 ILE A 48 6.131 12.297 0.330 1.00 33.32 H new ATOM 0 HD13 ILE A 48 6.196 13.627 -0.851 1.00 33.32 H new ATOM 769 N GLY A 49 2.875 16.323 2.424 1.00 51.13 N ATOM 770 CA GLY A 49 2.908 17.768 2.624 1.00 5.14 C ATOM 771 C GLY A 49 1.542 18.407 2.386 1.00 20.43 C ATOM 772 O GLY A 49 0.820 18.720 3.334 1.00 2.22 O ATOM 0 H GLY A 49 3.004 15.771 3.272 1.00 51.13 H new ATOM 0 HA2 GLY A 49 3.239 17.986 3.639 1.00 5.14 H new ATOM 0 HA3 GLY A 49 3.639 18.211 1.948 1.00 5.14 H new ATOM 776 N ASP A 50 1.191 18.596 1.115 1.00 60.21 N ATOM 777 CA ASP A 50 -0.154 19.050 0.739 1.00 31.51 C ATOM 778 C ASP A 50 -0.576 18.509 -0.644 1.00 4.40 C ATOM 779 O ASP A 50 -1.755 18.535 -0.993 1.00 5.42 O ATOM 780 CB ASP A 50 -0.232 20.583 0.763 1.00 25.32 C ATOM 781 CG ASP A 50 -1.656 21.092 0.578 1.00 20.41 C ATOM 782 OD1 ASP A 50 -2.502 20.847 1.467 1.00 53.31 O ATOM 783 OD2 ASP A 50 -1.947 21.716 -0.465 1.00 34.41 O ATOM 0 H ASP A 50 1.818 18.443 0.325 1.00 60.21 H new ATOM 0 HA ASP A 50 -0.852 18.650 1.475 1.00 31.51 H new ATOM 0 HB2 ASP A 50 0.162 20.950 1.711 1.00 25.32 H new ATOM 0 HB3 ASP A 50 0.402 20.989 -0.025 1.00 25.32 H new ATOM 788 N THR A 51 0.382 18.006 -1.426 1.00 44.02 N ATOM 789 CA THR A 51 0.071 17.438 -2.748 1.00 64.03 C ATOM 790 C THR A 51 -0.465 16.003 -2.620 1.00 74.12 C ATOM 791 O THR A 51 -0.024 15.235 -1.756 1.00 64.44 O ATOM 792 CB THR A 51 1.301 17.452 -3.690 1.00 11.53 C ATOM 793 OG1 THR A 51 0.948 16.924 -4.980 1.00 62.53 O ATOM 794 CG2 THR A 51 2.461 16.654 -3.107 1.00 4.44 C ATOM 0 H THR A 51 1.370 17.978 -1.174 1.00 44.02 H new ATOM 0 HA THR A 51 -0.700 18.071 -3.187 1.00 64.03 H new ATOM 0 HB THR A 51 1.621 18.488 -3.798 1.00 11.53 H new ATOM 0 HG1 THR A 51 1.733 16.940 -5.566 1.00 62.53 H new ATOM 0 HG21 THR A 51 3.306 16.686 -3.794 1.00 4.44 H new ATOM 0 HG22 THR A 51 2.755 17.086 -2.150 1.00 4.44 H new ATOM 0 HG23 THR A 51 2.153 15.619 -2.959 1.00 4.44 H new ATOM 802 N SER A 52 -1.421 15.642 -3.476 1.00 40.25 N ATOM 803 CA SER A 52 -2.117 14.350 -3.360 1.00 40.20 C ATOM 804 C SER A 52 -2.025 13.511 -4.642 1.00 72.32 C ATOM 805 O SER A 52 -1.964 14.038 -5.753 1.00 72.13 O ATOM 806 CB SER A 52 -3.596 14.572 -3.008 1.00 64.14 C ATOM 807 OG SER A 52 -4.264 15.306 -4.024 1.00 31.01 O ATOM 0 H SER A 52 -1.734 16.220 -4.256 1.00 40.25 H new ATOM 0 HA SER A 52 -1.618 13.797 -2.564 1.00 40.20 H new ATOM 0 HB2 SER A 52 -4.087 13.609 -2.869 1.00 64.14 H new ATOM 0 HB3 SER A 52 -3.670 15.107 -2.061 1.00 64.14 H new ATOM 0 HG SER A 52 -5.203 15.431 -3.774 1.00 31.01 H new ATOM 813 N VAL A 53 -2.034 12.191 -4.465 1.00 50.50 N ATOM 814 CA VAL A 53 -2.011 11.240 -5.580 1.00 41.24 C ATOM 815 C VAL A 53 -2.774 9.956 -5.204 1.00 64.12 C ATOM 816 O VAL A 53 -2.762 9.534 -4.046 1.00 43.20 O ATOM 817 CB VAL A 53 -0.553 10.885 -5.991 1.00 44.10 C ATOM 818 CG1 VAL A 53 0.216 10.288 -4.815 1.00 43.20 C ATOM 819 CG2 VAL A 53 -0.534 9.943 -7.199 1.00 61.41 C ATOM 0 H VAL A 53 -2.057 11.749 -3.546 1.00 50.50 H new ATOM 0 HA VAL A 53 -2.500 11.714 -6.431 1.00 41.24 H new ATOM 0 HB VAL A 53 -0.053 11.809 -6.283 1.00 44.10 H new ATOM 0 HG11 VAL A 53 1.232 10.049 -5.129 1.00 43.20 H new ATOM 0 HG12 VAL A 53 0.249 11.009 -3.998 1.00 43.20 H new ATOM 0 HG13 VAL A 53 -0.283 9.380 -4.477 1.00 43.20 H new ATOM 0 HG21 VAL A 53 0.498 9.712 -7.464 1.00 61.41 H new ATOM 0 HG22 VAL A 53 -1.060 9.021 -6.950 1.00 61.41 H new ATOM 0 HG23 VAL A 53 -1.026 10.425 -8.044 1.00 61.41 H new ATOM 829 N SER A 54 -3.451 9.346 -6.175 1.00 13.03 N ATOM 830 CA SER A 54 -4.255 8.136 -5.919 1.00 4.13 C ATOM 831 C SER A 54 -3.899 7.000 -6.891 1.00 14.42 C ATOM 832 O SER A 54 -3.902 7.181 -8.109 1.00 45.43 O ATOM 833 CB SER A 54 -5.756 8.458 -6.027 1.00 74.22 C ATOM 834 OG SER A 54 -6.092 8.941 -7.320 1.00 71.11 O ATOM 0 H SER A 54 -3.464 9.662 -7.145 1.00 13.03 H new ATOM 0 HA SER A 54 -4.026 7.801 -4.907 1.00 4.13 H new ATOM 0 HB2 SER A 54 -6.338 7.563 -5.809 1.00 74.22 H new ATOM 0 HB3 SER A 54 -6.024 9.203 -5.278 1.00 74.22 H new ATOM 0 HG SER A 54 -5.414 8.650 -7.964 1.00 71.11 H new ATOM 840 N TYR A 55 -3.599 5.822 -6.342 1.00 23.11 N ATOM 841 CA TYR A 55 -3.253 4.648 -7.155 1.00 71.53 C ATOM 842 C TYR A 55 -4.233 3.492 -6.911 1.00 55.11 C ATOM 843 O TYR A 55 -4.601 3.209 -5.772 1.00 54.23 O ATOM 844 CB TYR A 55 -1.819 4.194 -6.848 1.00 34.51 C ATOM 845 CG TYR A 55 -1.387 2.961 -7.624 1.00 1.22 C ATOM 846 CD1 TYR A 55 -1.276 2.995 -9.011 1.00 11.10 C ATOM 847 CD2 TYR A 55 -1.080 1.769 -6.972 1.00 33.43 C ATOM 848 CE1 TYR A 55 -0.877 1.884 -9.724 1.00 74.04 C ATOM 849 CE2 TYR A 55 -0.679 0.652 -7.680 1.00 23.12 C ATOM 850 CZ TYR A 55 -0.579 0.715 -9.056 1.00 52.10 C ATOM 851 OH TYR A 55 -0.177 -0.395 -9.769 1.00 51.41 O ATOM 0 H TYR A 55 -3.588 5.652 -5.336 1.00 23.11 H new ATOM 0 HA TYR A 55 -3.322 4.935 -8.204 1.00 71.53 H new ATOM 0 HB2 TYR A 55 -1.133 5.011 -7.072 1.00 34.51 H new ATOM 0 HB3 TYR A 55 -1.733 3.989 -5.781 1.00 34.51 H new ATOM 0 HD1 TYR A 55 -1.507 3.909 -9.539 1.00 11.10 H new ATOM 0 HD2 TYR A 55 -1.157 1.717 -5.896 1.00 33.43 H new ATOM 0 HE1 TYR A 55 -0.798 1.929 -10.800 1.00 74.04 H new ATOM 0 HE2 TYR A 55 -0.445 -0.265 -7.160 1.00 23.12 H new ATOM 0 HH TYR A 55 -0.004 -1.136 -9.151 1.00 51.41 H new ATOM 861 N LYS A 56 -4.647 2.825 -7.986 1.00 2.01 N ATOM 862 CA LYS A 56 -5.585 1.702 -7.890 1.00 13.24 C ATOM 863 C LYS A 56 -4.858 0.346 -7.962 1.00 21.54 C ATOM 864 O LYS A 56 -4.027 0.117 -8.842 1.00 11.41 O ATOM 865 CB LYS A 56 -6.632 1.795 -9.009 1.00 21.25 C ATOM 866 CG LYS A 56 -7.698 0.703 -8.948 1.00 40.02 C ATOM 867 CD LYS A 56 -8.749 0.859 -10.046 1.00 14.01 C ATOM 868 CE LYS A 56 -9.483 2.192 -9.950 1.00 21.02 C ATOM 869 NZ LYS A 56 -10.598 2.283 -10.929 1.00 5.21 N ATOM 0 H LYS A 56 -4.349 3.041 -8.937 1.00 2.01 H new ATOM 0 HA LYS A 56 -6.080 1.764 -6.921 1.00 13.24 H new ATOM 0 HB2 LYS A 56 -7.119 2.769 -8.958 1.00 21.25 H new ATOM 0 HB3 LYS A 56 -6.126 1.742 -9.973 1.00 21.25 H new ATOM 0 HG2 LYS A 56 -7.221 -0.273 -9.040 1.00 40.02 H new ATOM 0 HG3 LYS A 56 -8.186 0.729 -7.974 1.00 40.02 H new ATOM 0 HD2 LYS A 56 -8.269 0.779 -11.021 1.00 14.01 H new ATOM 0 HD3 LYS A 56 -9.469 0.043 -9.977 1.00 14.01 H new ATOM 0 HE2 LYS A 56 -9.875 2.319 -8.941 1.00 21.02 H new ATOM 0 HE3 LYS A 56 -8.780 3.007 -10.124 1.00 21.02 H new ATOM 0 HZ1 LYS A 56 -11.071 3.204 -10.831 1.00 5.21 H new ATOM 0 HZ2 LYS A 56 -10.222 2.188 -11.894 1.00 5.21 H new ATOM 0 HZ3 LYS A 56 -11.282 1.521 -10.748 1.00 5.21 H new ATOM 883 N TYR A 57 -5.180 -0.548 -7.029 1.00 43.24 N ATOM 884 CA TYR A 57 -4.590 -1.893 -6.994 1.00 61.34 C ATOM 885 C TYR A 57 -5.362 -2.878 -7.888 1.00 52.04 C ATOM 886 O TYR A 57 -6.357 -3.461 -7.467 1.00 45.44 O ATOM 887 CB TYR A 57 -4.550 -2.408 -5.549 1.00 63.21 C ATOM 888 CG TYR A 57 -3.503 -1.729 -4.687 1.00 5.41 C ATOM 889 CD1 TYR A 57 -3.726 -0.471 -4.136 1.00 72.01 C ATOM 890 CD2 TYR A 57 -2.284 -2.348 -4.430 1.00 43.30 C ATOM 891 CE1 TYR A 57 -2.765 0.145 -3.355 1.00 64.40 C ATOM 892 CE2 TYR A 57 -1.322 -1.737 -3.654 1.00 14.41 C ATOM 893 CZ TYR A 57 -1.566 -0.491 -3.118 1.00 43.44 C ATOM 894 OH TYR A 57 -0.600 0.122 -2.351 1.00 54.11 O ATOM 0 H TYR A 57 -5.850 -0.367 -6.281 1.00 43.24 H new ATOM 0 HA TYR A 57 -3.574 -1.823 -7.384 1.00 61.34 H new ATOM 0 HB2 TYR A 57 -5.530 -2.265 -5.095 1.00 63.21 H new ATOM 0 HB3 TYR A 57 -4.358 -3.481 -5.560 1.00 63.21 H new ATOM 0 HD1 TYR A 57 -4.664 0.032 -4.321 1.00 72.01 H new ATOM 0 HD2 TYR A 57 -2.088 -3.325 -4.846 1.00 43.30 H new ATOM 0 HE1 TYR A 57 -2.954 1.121 -2.933 1.00 64.40 H new ATOM 0 HE2 TYR A 57 -0.381 -2.233 -3.467 1.00 14.41 H new ATOM 0 HH TYR A 57 -1.015 0.811 -1.791 1.00 54.11 H new ATOM 904 N THR A 58 -4.900 -3.052 -9.127 1.00 42.33 N ATOM 905 CA THR A 58 -5.549 -3.964 -10.086 1.00 4.51 C ATOM 906 C THR A 58 -5.325 -5.444 -9.726 1.00 63.12 C ATOM 907 O THR A 58 -4.221 -5.850 -9.349 1.00 21.25 O ATOM 908 CB THR A 58 -5.056 -3.719 -11.535 1.00 33.44 C ATOM 909 OG1 THR A 58 -5.655 -4.669 -12.432 1.00 4.23 O ATOM 910 CG2 THR A 58 -3.535 -3.819 -11.629 1.00 74.42 C ATOM 0 H THR A 58 -4.077 -2.575 -9.496 1.00 42.33 H new ATOM 0 HA THR A 58 -6.615 -3.746 -10.027 1.00 4.51 H new ATOM 0 HB THR A 58 -5.354 -2.710 -11.819 1.00 33.44 H new ATOM 0 HG1 THR A 58 -5.337 -4.503 -13.344 1.00 4.23 H new ATOM 0 HG21 THR A 58 -3.222 -3.642 -12.658 1.00 74.42 H new ATOM 0 HG22 THR A 58 -3.080 -3.072 -10.978 1.00 74.42 H new ATOM 0 HG23 THR A 58 -3.216 -4.814 -11.318 1.00 74.42 H new ATOM 918 N SER A 59 -6.376 -6.250 -9.848 1.00 41.14 N ATOM 919 CA SER A 59 -6.301 -7.680 -9.516 1.00 50.42 C ATOM 920 C SER A 59 -5.494 -8.477 -10.551 1.00 72.51 C ATOM 921 O SER A 59 -6.037 -8.941 -11.552 1.00 63.33 O ATOM 922 CB SER A 59 -7.709 -8.286 -9.383 1.00 13.23 C ATOM 923 OG SER A 59 -8.457 -8.161 -10.583 1.00 2.34 O ATOM 0 H SER A 59 -7.292 -5.943 -10.174 1.00 41.14 H new ATOM 0 HA SER A 59 -5.783 -7.750 -8.560 1.00 50.42 H new ATOM 0 HB2 SER A 59 -7.627 -9.339 -9.115 1.00 13.23 H new ATOM 0 HB3 SER A 59 -8.241 -7.791 -8.571 1.00 13.23 H new ATOM 0 HG SER A 59 -7.902 -8.430 -11.344 1.00 2.34 H new ATOM 929 N ARG A 60 -4.186 -8.613 -10.318 1.00 31.02 N ATOM 930 CA ARG A 60 -3.337 -9.466 -11.165 1.00 3.52 C ATOM 931 C ARG A 60 -2.890 -10.741 -10.422 1.00 53.45 C ATOM 932 O ARG A 60 -2.443 -11.705 -11.042 1.00 71.13 O ATOM 933 CB ARG A 60 -2.121 -8.685 -11.686 1.00 22.54 C ATOM 934 CG ARG A 60 -1.144 -8.224 -10.607 1.00 33.22 C ATOM 935 CD ARG A 60 0.094 -7.573 -11.219 1.00 45.52 C ATOM 936 NE ARG A 60 0.784 -8.474 -12.142 1.00 62.22 N ATOM 937 CZ ARG A 60 1.504 -8.080 -13.156 1.00 14.33 C ATOM 938 NH1 ARG A 60 1.684 -6.818 -13.393 1.00 32.12 N ATOM 939 NH2 ARG A 60 2.051 -8.959 -13.930 1.00 24.32 N ATOM 0 H ARG A 60 -3.691 -8.149 -9.556 1.00 31.02 H new ATOM 0 HA ARG A 60 -3.938 -9.777 -12.020 1.00 3.52 H new ATOM 0 HB2 ARG A 60 -1.584 -9.310 -12.399 1.00 22.54 H new ATOM 0 HB3 ARG A 60 -2.475 -7.811 -12.232 1.00 22.54 H new ATOM 0 HG2 ARG A 60 -1.640 -7.515 -9.944 1.00 33.22 H new ATOM 0 HG3 ARG A 60 -0.845 -9.076 -9.997 1.00 33.22 H new ATOM 0 HD2 ARG A 60 -0.197 -6.665 -11.747 1.00 45.52 H new ATOM 0 HD3 ARG A 60 0.778 -7.274 -10.424 1.00 45.52 H new ATOM 0 HE ARG A 60 0.696 -9.478 -11.982 1.00 62.22 H new ATOM 0 HH11 ARG A 60 1.260 -6.119 -12.783 1.00 32.12 H new ATOM 0 HH12 ARG A 60 2.249 -6.524 -14.189 1.00 32.12 H new ATOM 0 HH21 ARG A 60 1.918 -9.953 -13.746 1.00 24.32 H new ATOM 0 HH22 ARG A 60 2.615 -8.658 -14.725 1.00 24.32 H new ATOM 953 N TYR A 61 -3.012 -10.737 -9.092 1.00 51.33 N ATOM 954 CA TYR A 61 -2.757 -11.936 -8.282 1.00 3.43 C ATOM 955 C TYR A 61 -3.463 -11.842 -6.918 1.00 22.32 C ATOM 956 O TYR A 61 -4.178 -10.871 -6.644 1.00 10.32 O ATOM 957 CB TYR A 61 -1.245 -12.181 -8.099 1.00 35.33 C ATOM 958 CG TYR A 61 -0.495 -11.095 -7.338 1.00 54.21 C ATOM 959 CD1 TYR A 61 -0.446 -11.095 -5.945 1.00 34.24 C ATOM 960 CD2 TYR A 61 0.183 -10.088 -8.012 1.00 5.22 C ATOM 961 CE1 TYR A 61 0.253 -10.123 -5.254 1.00 1.33 C ATOM 962 CE2 TYR A 61 0.880 -9.115 -7.327 1.00 10.41 C ATOM 963 CZ TYR A 61 0.914 -9.136 -5.951 1.00 24.34 C ATOM 964 OH TYR A 61 1.618 -8.170 -5.271 1.00 15.22 O ATOM 0 H TYR A 61 -3.286 -9.917 -8.551 1.00 51.33 H new ATOM 0 HA TYR A 61 -3.170 -12.789 -8.821 1.00 3.43 H new ATOM 0 HB2 TYR A 61 -1.108 -13.128 -7.577 1.00 35.33 H new ATOM 0 HB3 TYR A 61 -0.790 -12.291 -9.083 1.00 35.33 H new ATOM 0 HD1 TYR A 61 -0.963 -11.868 -5.396 1.00 34.24 H new ATOM 0 HD2 TYR A 61 0.164 -10.066 -9.092 1.00 5.22 H new ATOM 0 HE1 TYR A 61 0.281 -10.137 -4.174 1.00 1.33 H new ATOM 0 HE2 TYR A 61 1.398 -8.338 -7.869 1.00 10.41 H new ATOM 0 HH TYR A 61 2.287 -8.597 -4.696 1.00 15.22 H new ATOM 974 N VAL A 62 -3.268 -12.855 -6.069 1.00 64.13 N ATOM 975 CA VAL A 62 -3.923 -12.908 -4.752 1.00 43.03 C ATOM 976 C VAL A 62 -2.905 -12.852 -3.595 1.00 10.03 C ATOM 977 O VAL A 62 -1.720 -13.147 -3.767 1.00 72.43 O ATOM 978 CB VAL A 62 -4.792 -14.188 -4.607 1.00 72.25 C ATOM 979 CG1 VAL A 62 -5.895 -14.221 -5.663 1.00 21.34 C ATOM 980 CG2 VAL A 62 -3.929 -15.446 -4.692 1.00 33.31 C ATOM 0 H VAL A 62 -2.662 -13.651 -6.267 1.00 64.13 H new ATOM 0 HA VAL A 62 -4.563 -12.027 -4.692 1.00 43.03 H new ATOM 0 HB VAL A 62 -5.262 -14.163 -3.624 1.00 72.25 H new ATOM 0 HG11 VAL A 62 -6.489 -15.127 -5.540 1.00 21.34 H new ATOM 0 HG12 VAL A 62 -6.536 -13.347 -5.547 1.00 21.34 H new ATOM 0 HG13 VAL A 62 -5.448 -14.213 -6.657 1.00 21.34 H new ATOM 0 HG21 VAL A 62 -4.561 -16.328 -4.588 1.00 33.31 H new ATOM 0 HG22 VAL A 62 -3.422 -15.475 -5.656 1.00 33.31 H new ATOM 0 HG23 VAL A 62 -3.188 -15.434 -3.893 1.00 33.31 H new ATOM 990 N LEU A 63 -3.383 -12.470 -2.413 1.00 73.23 N ATOM 991 CA LEU A 63 -2.548 -12.373 -1.213 1.00 3.24 C ATOM 992 C LEU A 63 -3.143 -13.233 -0.086 1.00 12.33 C ATOM 993 O LEU A 63 -4.235 -12.952 0.409 1.00 22.32 O ATOM 994 CB LEU A 63 -2.450 -10.902 -0.770 1.00 12.14 C ATOM 995 CG LEU A 63 -1.390 -10.599 0.303 1.00 51.31 C ATOM 996 CD1 LEU A 63 0.012 -10.820 -0.255 1.00 42.03 C ATOM 997 CD2 LEU A 63 -1.544 -9.171 0.826 1.00 24.12 C ATOM 0 H LEU A 63 -4.359 -12.219 -2.258 1.00 73.23 H new ATOM 0 HA LEU A 63 -1.548 -12.743 -1.439 1.00 3.24 H new ATOM 0 HB2 LEU A 63 -2.238 -10.291 -1.647 1.00 12.14 H new ATOM 0 HB3 LEU A 63 -3.423 -10.590 -0.392 1.00 12.14 H new ATOM 0 HG LEU A 63 -1.540 -11.284 1.137 1.00 51.31 H new ATOM 0 HD11 LEU A 63 0.750 -10.601 0.517 1.00 42.03 H new ATOM 0 HD12 LEU A 63 0.117 -11.857 -0.574 1.00 42.03 H new ATOM 0 HD13 LEU A 63 0.172 -10.160 -1.108 1.00 42.03 H new ATOM 0 HD21 LEU A 63 -0.785 -8.977 1.584 1.00 24.12 H new ATOM 0 HD22 LEU A 63 -1.423 -8.467 0.003 1.00 24.12 H new ATOM 0 HD23 LEU A 63 -2.534 -9.049 1.265 1.00 24.12 H new ATOM 1009 N LYS A 64 -2.434 -14.287 0.309 1.00 32.22 N ATOM 1010 CA LYS A 64 -2.964 -15.247 1.286 1.00 62.01 C ATOM 1011 C LYS A 64 -2.946 -14.697 2.728 1.00 62.31 C ATOM 1012 O LYS A 64 -2.354 -13.652 3.006 1.00 41.43 O ATOM 1013 CB LYS A 64 -2.176 -16.563 1.203 1.00 4.23 C ATOM 1014 CG LYS A 64 -2.881 -17.743 1.870 1.00 4.24 C ATOM 1015 CD LYS A 64 -2.195 -19.072 1.567 1.00 13.01 C ATOM 1016 CE LYS A 64 -3.081 -20.257 1.942 1.00 14.30 C ATOM 1017 NZ LYS A 64 -4.405 -20.200 1.258 1.00 43.23 N ATOM 0 H LYS A 64 -1.495 -14.502 -0.028 1.00 32.22 H new ATOM 0 HA LYS A 64 -4.009 -15.428 1.032 1.00 62.01 H new ATOM 0 HB2 LYS A 64 -1.996 -16.803 0.155 1.00 4.23 H new ATOM 0 HB3 LYS A 64 -1.201 -16.423 1.669 1.00 4.23 H new ATOM 0 HG2 LYS A 64 -2.906 -17.587 2.948 1.00 4.24 H new ATOM 0 HG3 LYS A 64 -3.916 -17.785 1.530 1.00 4.24 H new ATOM 0 HD2 LYS A 64 -1.948 -19.122 0.506 1.00 13.01 H new ATOM 0 HD3 LYS A 64 -1.255 -19.131 2.116 1.00 13.01 H new ATOM 0 HE2 LYS A 64 -2.576 -21.186 1.678 1.00 14.30 H new ATOM 0 HE3 LYS A 64 -3.230 -20.271 3.022 1.00 14.30 H new ATOM 0 HZ1 LYS A 64 -4.797 -21.160 1.180 1.00 43.23 H new ATOM 0 HZ2 LYS A 64 -5.055 -19.604 1.809 1.00 43.23 H new ATOM 0 HZ3 LYS A 64 -4.287 -19.796 0.307 1.00 43.23 H new ATOM 1031 N ALA A 65 -3.615 -15.417 3.635 1.00 54.24 N ATOM 1032 CA ALA A 65 -3.701 -15.040 5.053 1.00 15.51 C ATOM 1033 C ALA A 65 -2.323 -14.764 5.681 1.00 2.50 C ATOM 1034 O ALA A 65 -1.407 -15.585 5.586 1.00 24.10 O ATOM 1035 CB ALA A 65 -4.412 -16.143 5.832 1.00 64.22 C ATOM 0 H ALA A 65 -4.113 -16.278 3.408 1.00 54.24 H new ATOM 0 HA ALA A 65 -4.268 -14.111 5.107 1.00 15.51 H new ATOM 0 HB1 ALA A 65 -4.475 -15.863 6.883 1.00 64.22 H new ATOM 0 HB2 ALA A 65 -5.416 -16.281 5.432 1.00 64.22 H new ATOM 0 HB3 ALA A 65 -3.853 -17.074 5.738 1.00 64.22 H new ATOM 1041 N GLY A 66 -2.187 -13.599 6.309 1.00 14.11 N ATOM 1042 CA GLY A 66 -0.952 -13.245 7.004 1.00 32.52 C ATOM 1043 C GLY A 66 0.153 -12.728 6.084 1.00 14.32 C ATOM 1044 O GLY A 66 1.099 -12.089 6.546 1.00 2.13 O ATOM 0 H GLY A 66 -2.915 -12.885 6.351 1.00 14.11 H new ATOM 0 HA2 GLY A 66 -1.174 -12.484 7.752 1.00 32.52 H new ATOM 0 HA3 GLY A 66 -0.585 -14.121 7.539 1.00 32.52 H new ATOM 1048 N GLN A 67 0.036 -12.998 4.785 1.00 3.11 N ATOM 1049 CA GLN A 67 1.074 -12.621 3.822 1.00 24.25 C ATOM 1050 C GLN A 67 1.095 -11.100 3.574 1.00 61.14 C ATOM 1051 O GLN A 67 0.048 -10.456 3.465 1.00 2.12 O ATOM 1052 CB GLN A 67 0.869 -13.375 2.495 1.00 32.34 C ATOM 1053 CG GLN A 67 1.973 -13.136 1.460 1.00 20.51 C ATOM 1054 CD GLN A 67 3.222 -13.993 1.657 1.00 23.35 C ATOM 1055 OE1 GLN A 67 3.929 -14.293 0.700 1.00 71.13 O ATOM 1056 NE2 GLN A 67 3.505 -14.410 2.878 1.00 53.24 N ATOM 0 H GLN A 67 -0.766 -13.476 4.374 1.00 3.11 H new ATOM 0 HA GLN A 67 2.038 -12.900 4.247 1.00 24.25 H new ATOM 0 HB2 GLN A 67 0.806 -14.443 2.703 1.00 32.34 H new ATOM 0 HB3 GLN A 67 -0.087 -13.077 2.065 1.00 32.34 H new ATOM 0 HG2 GLN A 67 1.569 -13.328 0.466 1.00 20.51 H new ATOM 0 HG3 GLN A 67 2.260 -12.085 1.490 1.00 20.51 H new ATOM 0 HE21 GLN A 67 2.903 -14.148 3.659 1.00 53.24 H new ATOM 0 HE22 GLN A 67 4.326 -14.994 3.040 1.00 53.24 H new ATOM 1065 N THR A 68 2.299 -10.533 3.496 1.00 41.33 N ATOM 1066 CA THR A 68 2.472 -9.092 3.250 1.00 33.41 C ATOM 1067 C THR A 68 2.939 -8.804 1.816 1.00 20.11 C ATOM 1068 O THR A 68 3.878 -9.432 1.321 1.00 72.01 O ATOM 1069 CB THR A 68 3.493 -8.469 4.234 1.00 12.43 C ATOM 1070 OG1 THR A 68 4.753 -9.155 4.149 1.00 74.32 O ATOM 1071 CG2 THR A 68 2.984 -8.530 5.671 1.00 0.33 C ATOM 0 H THR A 68 3.174 -11.047 3.599 1.00 41.33 H new ATOM 0 HA THR A 68 1.491 -8.641 3.402 1.00 33.41 H new ATOM 0 HB THR A 68 3.625 -7.424 3.953 1.00 12.43 H new ATOM 0 HG1 THR A 68 5.389 -8.750 4.775 1.00 74.32 H new ATOM 0 HG21 THR A 68 3.723 -8.085 6.338 1.00 0.33 H new ATOM 0 HG22 THR A 68 2.047 -7.979 5.749 1.00 0.33 H new ATOM 0 HG23 THR A 68 2.819 -9.569 5.955 1.00 0.33 H new ATOM 1079 N VAL A 69 2.287 -7.847 1.156 1.00 52.14 N ATOM 1080 CA VAL A 69 2.657 -7.444 -0.208 1.00 12.15 C ATOM 1081 C VAL A 69 3.546 -6.187 -0.201 1.00 42.21 C ATOM 1082 O VAL A 69 3.332 -5.263 0.590 1.00 61.42 O ATOM 1083 CB VAL A 69 1.400 -7.187 -1.081 1.00 34.33 C ATOM 1084 CG1 VAL A 69 0.520 -6.095 -0.474 1.00 2.55 C ATOM 1085 CG2 VAL A 69 1.794 -6.836 -2.515 1.00 11.12 C ATOM 0 H VAL A 69 1.496 -7.332 1.543 1.00 52.14 H new ATOM 0 HA VAL A 69 3.222 -8.270 -0.640 1.00 12.15 H new ATOM 0 HB VAL A 69 0.818 -8.108 -1.106 1.00 34.33 H new ATOM 0 HG11 VAL A 69 -0.353 -5.937 -1.108 1.00 2.55 H new ATOM 0 HG12 VAL A 69 0.196 -6.400 0.521 1.00 2.55 H new ATOM 0 HG13 VAL A 69 1.089 -5.168 -0.402 1.00 2.55 H new ATOM 0 HG21 VAL A 69 0.895 -6.661 -3.107 1.00 11.12 H new ATOM 0 HG22 VAL A 69 2.409 -5.936 -2.513 1.00 11.12 H new ATOM 0 HG23 VAL A 69 2.359 -7.661 -2.949 1.00 11.12 H new ATOM 1095 N THR A 70 4.543 -6.159 -1.085 1.00 21.12 N ATOM 1096 CA THR A 70 5.500 -5.044 -1.155 1.00 52.51 C ATOM 1097 C THR A 70 5.297 -4.208 -2.427 1.00 44.44 C ATOM 1098 O THR A 70 5.371 -4.725 -3.544 1.00 5.44 O ATOM 1099 CB THR A 70 6.957 -5.558 -1.118 1.00 54.13 C ATOM 1100 OG1 THR A 70 7.165 -6.362 0.052 1.00 34.04 O ATOM 1101 CG2 THR A 70 7.953 -4.403 -1.122 1.00 63.43 C ATOM 0 H THR A 70 4.713 -6.897 -1.768 1.00 21.12 H new ATOM 0 HA THR A 70 5.316 -4.415 -0.284 1.00 52.51 H new ATOM 0 HB THR A 70 7.121 -6.159 -2.013 1.00 54.13 H new ATOM 0 HG1 THR A 70 8.090 -6.685 0.067 1.00 34.04 H new ATOM 0 HG21 THR A 70 8.968 -4.798 -1.095 1.00 63.43 H new ATOM 0 HG22 THR A 70 7.818 -3.809 -2.026 1.00 63.43 H new ATOM 0 HG23 THR A 70 7.785 -3.775 -0.247 1.00 63.43 H new ATOM 1109 N ILE A 71 5.047 -2.911 -2.250 1.00 43.12 N ATOM 1110 CA ILE A 71 4.792 -1.998 -3.372 1.00 70.24 C ATOM 1111 C ILE A 71 6.004 -1.086 -3.636 1.00 31.41 C ATOM 1112 O ILE A 71 6.227 -0.117 -2.910 1.00 0.41 O ATOM 1113 CB ILE A 71 3.548 -1.107 -3.102 1.00 15.35 C ATOM 1114 CG1 ILE A 71 2.381 -1.951 -2.554 1.00 21.11 C ATOM 1115 CG2 ILE A 71 3.129 -0.361 -4.372 1.00 21.12 C ATOM 1116 CD1 ILE A 71 1.957 -3.083 -3.464 1.00 63.11 C ATOM 0 H ILE A 71 5.015 -2.463 -1.334 1.00 43.12 H new ATOM 0 HA ILE A 71 4.609 -2.620 -4.248 1.00 70.24 H new ATOM 0 HB ILE A 71 3.817 -0.368 -2.347 1.00 15.35 H new ATOM 0 HG12 ILE A 71 2.668 -2.364 -1.587 1.00 21.11 H new ATOM 0 HG13 ILE A 71 1.525 -1.299 -2.380 1.00 21.11 H new ATOM 0 HG21 ILE A 71 2.256 0.257 -4.160 1.00 21.12 H new ATOM 0 HG22 ILE A 71 3.949 0.273 -4.709 1.00 21.12 H new ATOM 0 HG23 ILE A 71 2.883 -1.081 -5.152 1.00 21.12 H new ATOM 0 HD11 ILE A 71 1.131 -3.628 -3.006 1.00 63.11 H new ATOM 0 HD12 ILE A 71 1.636 -2.678 -4.424 1.00 63.11 H new ATOM 0 HD13 ILE A 71 2.797 -3.760 -3.618 1.00 63.11 H new ATOM 1128 N TRP A 72 6.783 -1.405 -4.668 1.00 54.14 N ATOM 1129 CA TRP A 72 7.975 -0.618 -5.028 1.00 75.14 C ATOM 1130 C TRP A 72 7.614 0.607 -5.882 1.00 34.53 C ATOM 1131 O TRP A 72 6.984 0.477 -6.931 1.00 73.31 O ATOM 1132 CB TRP A 72 8.969 -1.495 -5.799 1.00 41.05 C ATOM 1133 CG TRP A 72 9.474 -2.664 -5.007 1.00 71.14 C ATOM 1134 CD1 TRP A 72 8.901 -3.897 -4.906 1.00 12.13 C ATOM 1135 CD2 TRP A 72 10.658 -2.705 -4.203 1.00 32.32 C ATOM 1136 NE1 TRP A 72 9.655 -4.702 -4.089 1.00 52.31 N ATOM 1137 CE2 TRP A 72 10.738 -3.993 -3.646 1.00 32.24 C ATOM 1138 CE3 TRP A 72 11.657 -1.776 -3.901 1.00 4.51 C ATOM 1139 CZ2 TRP A 72 11.776 -4.377 -2.802 1.00 52.04 C ATOM 1140 CZ3 TRP A 72 12.689 -2.158 -3.062 1.00 20.30 C ATOM 1141 CH2 TRP A 72 12.741 -3.450 -2.523 1.00 31.42 C ATOM 0 H TRP A 72 6.614 -2.206 -5.276 1.00 54.14 H new ATOM 0 HA TRP A 72 8.426 -0.266 -4.100 1.00 75.14 H new ATOM 0 HB2 TRP A 72 8.490 -1.861 -6.707 1.00 41.05 H new ATOM 0 HB3 TRP A 72 9.816 -0.883 -6.110 1.00 41.05 H new ATOM 0 HD1 TRP A 72 7.987 -4.197 -5.397 1.00 12.13 H new ATOM 0 HE1 TRP A 72 9.443 -5.671 -3.851 1.00 52.31 H new ATOM 0 HE3 TRP A 72 11.624 -0.779 -4.314 1.00 4.51 H new ATOM 0 HZ2 TRP A 72 11.817 -5.371 -2.383 1.00 52.04 H new ATOM 0 HZ3 TRP A 72 13.467 -1.449 -2.819 1.00 20.30 H new ATOM 0 HH2 TRP A 72 13.561 -3.719 -1.873 1.00 31.42 H new ATOM 1152 N ALA A 73 8.039 1.793 -5.448 1.00 20.23 N ATOM 1153 CA ALA A 73 7.735 3.032 -6.173 1.00 24.14 C ATOM 1154 C ALA A 73 8.606 3.198 -7.432 1.00 61.32 C ATOM 1155 O ALA A 73 9.623 3.896 -7.408 1.00 65.41 O ATOM 1156 CB ALA A 73 7.899 4.237 -5.253 1.00 51.11 C ATOM 0 H ALA A 73 8.593 1.925 -4.602 1.00 20.23 H new ATOM 0 HA ALA A 73 6.698 2.969 -6.503 1.00 24.14 H new ATOM 0 HB1 ALA A 73 7.670 5.149 -5.804 1.00 51.11 H new ATOM 0 HB2 ALA A 73 7.218 4.144 -4.407 1.00 51.11 H new ATOM 0 HB3 ALA A 73 8.926 4.280 -4.890 1.00 51.11 H new ATOM 1162 N ALA A 74 8.199 2.529 -8.517 1.00 70.33 N ATOM 1163 CA ALA A 74 8.858 2.630 -9.835 1.00 42.43 C ATOM 1164 C ALA A 74 10.303 2.089 -9.853 1.00 32.40 C ATOM 1165 O ALA A 74 10.590 1.086 -10.509 1.00 71.34 O ATOM 1166 CB ALA A 74 8.823 4.070 -10.341 1.00 62.44 C ATOM 0 H ALA A 74 7.398 1.897 -8.511 1.00 70.33 H new ATOM 0 HA ALA A 74 8.287 1.989 -10.506 1.00 42.43 H new ATOM 0 HB1 ALA A 74 9.313 4.126 -11.313 1.00 62.44 H new ATOM 0 HB2 ALA A 74 7.788 4.397 -10.437 1.00 62.44 H new ATOM 0 HB3 ALA A 74 9.344 4.717 -9.635 1.00 62.44 H new ATOM 1172 N ASN A 75 11.207 2.768 -9.147 1.00 21.43 N ATOM 1173 CA ASN A 75 12.637 2.429 -9.161 1.00 64.23 C ATOM 1174 C ASN A 75 12.929 1.117 -8.410 1.00 60.33 C ATOM 1175 O ASN A 75 13.434 1.129 -7.284 1.00 3.12 O ATOM 1176 CB ASN A 75 13.458 3.574 -8.548 1.00 44.24 C ATOM 1177 CG ASN A 75 13.113 4.931 -9.144 1.00 40.55 C ATOM 1178 OD1 ASN A 75 12.694 5.035 -10.290 1.00 32.41 O ATOM 1179 ND2 ASN A 75 13.287 5.985 -8.371 1.00 45.34 N ATOM 0 H ASN A 75 10.975 3.563 -8.552 1.00 21.43 H new ATOM 0 HA ASN A 75 12.926 2.285 -10.202 1.00 64.23 H new ATOM 0 HB2 ASN A 75 13.288 3.601 -7.472 1.00 44.24 H new ATOM 0 HB3 ASN A 75 14.519 3.375 -8.698 1.00 44.24 H new ATOM 0 HD21 ASN A 75 13.071 6.917 -8.724 1.00 45.34 H new ATOM 0 HD22 ASN A 75 13.638 5.868 -7.420 1.00 45.34 H new ATOM 1186 N ALA A 76 12.602 -0.011 -9.038 1.00 54.34 N ATOM 1187 CA ALA A 76 12.844 -1.335 -8.448 1.00 52.24 C ATOM 1188 C ALA A 76 14.070 -2.018 -9.070 1.00 3.31 C ATOM 1189 O ALA A 76 14.940 -2.526 -8.358 1.00 72.02 O ATOM 1190 CB ALA A 76 11.611 -2.215 -8.616 1.00 12.13 C ATOM 0 H ALA A 76 12.166 -0.039 -9.960 1.00 54.34 H new ATOM 0 HA ALA A 76 13.047 -1.194 -7.386 1.00 52.24 H new ATOM 0 HB1 ALA A 76 11.800 -3.194 -8.176 1.00 12.13 H new ATOM 0 HB2 ALA A 76 10.761 -1.750 -8.116 1.00 12.13 H new ATOM 0 HB3 ALA A 76 11.389 -2.331 -9.677 1.00 12.13 H new ATOM 1196 N GLY A 77 14.133 -2.036 -10.402 1.00 52.43 N ATOM 1197 CA GLY A 77 15.249 -2.670 -11.105 1.00 52.15 C ATOM 1198 C GLY A 77 15.043 -4.166 -11.335 1.00 44.44 C ATOM 1199 O GLY A 77 15.451 -4.709 -12.365 1.00 72.51 O ATOM 0 H GLY A 77 13.429 -1.622 -11.013 1.00 52.43 H new ATOM 0 HA2 GLY A 77 15.391 -2.177 -12.067 1.00 52.15 H new ATOM 0 HA3 GLY A 77 16.164 -2.520 -10.532 1.00 52.15 H new ATOM 1203 N VAL A 78 14.411 -4.827 -10.370 1.00 64.32 N ATOM 1204 CA VAL A 78 14.138 -6.267 -10.448 1.00 34.33 C ATOM 1205 C VAL A 78 12.973 -6.587 -11.408 1.00 34.14 C ATOM 1206 O VAL A 78 12.466 -5.705 -12.105 1.00 11.54 O ATOM 1207 CB VAL A 78 13.817 -6.841 -9.043 1.00 4.32 C ATOM 1208 CG1 VAL A 78 15.027 -6.713 -8.121 1.00 74.30 C ATOM 1209 CG2 VAL A 78 12.595 -6.148 -8.438 1.00 5.01 C ATOM 0 H VAL A 78 14.073 -4.387 -9.514 1.00 64.32 H new ATOM 0 HA VAL A 78 15.040 -6.737 -10.840 1.00 34.33 H new ATOM 0 HB VAL A 78 13.583 -7.900 -9.153 1.00 4.32 H new ATOM 0 HG11 VAL A 78 14.782 -7.121 -7.140 1.00 74.30 H new ATOM 0 HG12 VAL A 78 15.867 -7.264 -8.544 1.00 74.30 H new ATOM 0 HG13 VAL A 78 15.297 -5.662 -8.019 1.00 74.30 H new ATOM 0 HG21 VAL A 78 12.389 -6.567 -7.453 1.00 5.01 H new ATOM 0 HG22 VAL A 78 12.792 -5.080 -8.344 1.00 5.01 H new ATOM 0 HG23 VAL A 78 11.732 -6.302 -9.085 1.00 5.01 H new ATOM 1219 N THR A 79 12.566 -7.860 -11.438 1.00 15.30 N ATOM 1220 CA THR A 79 11.457 -8.317 -12.296 1.00 42.42 C ATOM 1221 C THR A 79 10.188 -7.475 -12.087 1.00 15.13 C ATOM 1222 O THR A 79 9.659 -7.388 -10.973 1.00 10.13 O ATOM 1223 CB THR A 79 11.131 -9.810 -12.037 1.00 70.31 C ATOM 1224 OG1 THR A 79 12.297 -10.615 -12.283 1.00 33.34 O ATOM 1225 CG2 THR A 79 9.988 -10.299 -12.922 1.00 22.13 C ATOM 0 H THR A 79 12.988 -8.599 -10.876 1.00 15.30 H new ATOM 0 HA THR A 79 11.788 -8.194 -13.327 1.00 42.42 H new ATOM 0 HB THR A 79 10.822 -9.904 -10.996 1.00 70.31 H new ATOM 0 HG1 THR A 79 12.085 -11.557 -12.116 1.00 33.34 H new ATOM 0 HG21 THR A 79 9.789 -11.350 -12.711 1.00 22.13 H new ATOM 0 HG22 THR A 79 9.093 -9.712 -12.718 1.00 22.13 H new ATOM 0 HG23 THR A 79 10.265 -10.185 -13.970 1.00 22.13 H new ATOM 1233 N ALA A 80 9.702 -6.867 -13.169 1.00 32.45 N ATOM 1234 CA ALA A 80 8.587 -5.917 -13.103 1.00 30.13 C ATOM 1235 C ALA A 80 7.246 -6.566 -12.716 1.00 55.44 C ATOM 1236 O ALA A 80 6.503 -7.042 -13.572 1.00 13.13 O ATOM 1237 CB ALA A 80 8.450 -5.178 -14.429 1.00 65.31 C ATOM 0 H ALA A 80 10.065 -7.016 -14.110 1.00 32.45 H new ATOM 0 HA ALA A 80 8.828 -5.214 -12.305 1.00 30.13 H new ATOM 0 HB1 ALA A 80 7.619 -4.475 -14.370 1.00 65.31 H new ATOM 0 HB2 ALA A 80 9.371 -4.634 -14.639 1.00 65.31 H new ATOM 0 HB3 ALA A 80 8.262 -5.895 -15.228 1.00 65.31 H new ATOM 1243 N SER A 81 6.969 -6.592 -11.413 1.00 61.44 N ATOM 1244 CA SER A 81 5.644 -6.949 -10.869 1.00 23.24 C ATOM 1245 C SER A 81 5.305 -8.447 -10.969 1.00 21.40 C ATOM 1246 O SER A 81 4.713 -8.902 -11.952 1.00 51.43 O ATOM 1247 CB SER A 81 4.527 -6.121 -11.530 1.00 24.43 C ATOM 1248 OG SER A 81 3.256 -6.405 -10.955 1.00 34.01 O ATOM 0 H SER A 81 7.657 -6.366 -10.694 1.00 61.44 H new ATOM 0 HA SER A 81 5.703 -6.711 -9.807 1.00 23.24 H new ATOM 0 HB2 SER A 81 4.747 -5.059 -11.421 1.00 24.43 H new ATOM 0 HB3 SER A 81 4.499 -6.333 -12.599 1.00 24.43 H new ATOM 0 HG SER A 81 2.638 -5.670 -11.148 1.00 34.01 H new ATOM 1254 N PRO A 82 5.718 -9.233 -9.955 1.00 32.43 N ATOM 1255 CA PRO A 82 5.184 -10.601 -9.703 1.00 64.40 C ATOM 1256 C PRO A 82 3.609 -10.630 -9.669 1.00 22.20 C ATOM 1257 O PRO A 82 2.994 -9.583 -9.889 1.00 1.25 O ATOM 1258 CB PRO A 82 5.855 -10.945 -8.381 1.00 12.40 C ATOM 1259 CG PRO A 82 7.140 -10.197 -8.400 1.00 62.43 C ATOM 1260 CD PRO A 82 6.794 -8.875 -9.008 1.00 61.30 C ATOM 0 HA PRO A 82 5.401 -11.330 -10.484 1.00 64.40 H new ATOM 0 HB2 PRO A 82 5.237 -10.647 -7.534 1.00 12.40 H new ATOM 0 HB3 PRO A 82 6.023 -12.018 -8.291 1.00 12.40 H new ATOM 0 HG2 PRO A 82 7.545 -10.078 -7.395 1.00 62.43 H new ATOM 0 HG3 PRO A 82 7.895 -10.719 -8.988 1.00 62.43 H new ATOM 0 HD2 PRO A 82 6.454 -8.160 -8.259 1.00 61.30 H new ATOM 0 HD3 PRO A 82 7.648 -8.425 -9.515 1.00 61.30 H new ATOM 1268 N PRO A 83 2.866 -11.761 -9.377 1.00 33.42 N ATOM 1269 CA PRO A 83 2.980 -12.817 -8.336 1.00 11.21 C ATOM 1270 C PRO A 83 3.875 -12.648 -7.085 1.00 62.12 C ATOM 1271 O PRO A 83 4.620 -13.560 -6.730 1.00 45.04 O ATOM 1272 CB PRO A 83 3.327 -13.984 -9.244 1.00 11.25 C ATOM 1273 CG PRO A 83 2.386 -13.761 -10.421 1.00 72.15 C ATOM 1274 CD PRO A 83 1.892 -12.308 -10.315 1.00 3.41 C ATOM 0 HA PRO A 83 2.076 -12.880 -7.730 1.00 11.21 H new ATOM 0 HB2 PRO A 83 4.373 -13.966 -9.549 1.00 11.25 H new ATOM 0 HB3 PRO A 83 3.153 -14.944 -8.759 1.00 11.25 H new ATOM 0 HG2 PRO A 83 2.901 -13.928 -11.367 1.00 72.15 H new ATOM 0 HG3 PRO A 83 1.549 -14.459 -10.387 1.00 72.15 H new ATOM 0 HD2 PRO A 83 1.909 -11.794 -11.276 1.00 3.41 H new ATOM 0 HD3 PRO A 83 0.872 -12.244 -9.937 1.00 3.41 H new ATOM 1282 N THR A 84 3.750 -11.480 -6.416 1.00 24.13 N ATOM 1283 CA THR A 84 4.180 -11.262 -5.000 1.00 52.13 C ATOM 1284 C THR A 84 4.425 -9.769 -4.704 1.00 61.23 C ATOM 1285 O THR A 84 3.857 -9.216 -3.763 1.00 45.34 O ATOM 1286 CB THR A 84 5.420 -12.091 -4.515 1.00 60.15 C ATOM 1287 OG1 THR A 84 5.733 -11.756 -3.151 1.00 44.42 O ATOM 1288 CG2 THR A 84 6.664 -11.877 -5.373 1.00 70.13 C ATOM 0 H THR A 84 3.344 -10.647 -6.842 1.00 24.13 H new ATOM 0 HA THR A 84 3.331 -11.639 -4.429 1.00 52.13 H new ATOM 0 HB THR A 84 5.138 -13.140 -4.604 1.00 60.15 H new ATOM 0 HG1 THR A 84 6.507 -12.279 -2.855 1.00 44.42 H new ATOM 0 HG21 THR A 84 7.484 -12.480 -4.982 1.00 70.13 H new ATOM 0 HG22 THR A 84 6.453 -12.174 -6.400 1.00 70.13 H new ATOM 0 HG23 THR A 84 6.945 -10.824 -5.350 1.00 70.13 H new ATOM 1296 N ASP A 85 5.257 -9.119 -5.516 1.00 63.04 N ATOM 1297 CA ASP A 85 5.525 -7.675 -5.374 1.00 2.14 C ATOM 1298 C ASP A 85 4.817 -6.865 -6.479 1.00 74.31 C ATOM 1299 O ASP A 85 4.485 -7.399 -7.538 1.00 13.15 O ATOM 1300 CB ASP A 85 7.038 -7.406 -5.436 1.00 30.34 C ATOM 1301 CG ASP A 85 7.813 -8.049 -4.292 1.00 44.11 C ATOM 1302 OD1 ASP A 85 7.772 -9.290 -4.159 1.00 43.15 O ATOM 1303 OD2 ASP A 85 8.502 -7.320 -3.548 1.00 2.15 O ATOM 0 H ASP A 85 5.762 -9.564 -6.283 1.00 63.04 H new ATOM 0 HA ASP A 85 5.136 -7.359 -4.406 1.00 2.14 H new ATOM 0 HB2 ASP A 85 7.427 -7.778 -6.384 1.00 30.34 H new ATOM 0 HB3 ASP A 85 7.209 -6.330 -5.422 1.00 30.34 H new ATOM 1308 N LEU A 86 4.600 -5.572 -6.229 1.00 42.15 N ATOM 1309 CA LEU A 86 4.001 -4.669 -7.226 1.00 72.32 C ATOM 1310 C LEU A 86 4.876 -3.430 -7.460 1.00 25.54 C ATOM 1311 O LEU A 86 5.434 -2.866 -6.521 1.00 1.44 O ATOM 1312 CB LEU A 86 2.595 -4.224 -6.791 1.00 12.45 C ATOM 1313 CG LEU A 86 1.506 -5.303 -6.858 1.00 71.14 C ATOM 1314 CD1 LEU A 86 0.186 -4.776 -6.296 1.00 64.43 C ATOM 1315 CD2 LEU A 86 1.323 -5.785 -8.294 1.00 32.51 C ATOM 0 H LEU A 86 4.829 -5.122 -5.343 1.00 42.15 H new ATOM 0 HA LEU A 86 3.929 -5.228 -8.159 1.00 72.32 H new ATOM 0 HB2 LEU A 86 2.651 -3.854 -5.767 1.00 12.45 H new ATOM 0 HB3 LEU A 86 2.289 -3.386 -7.417 1.00 12.45 H new ATOM 0 HG LEU A 86 1.822 -6.148 -6.246 1.00 71.14 H new ATOM 0 HD11 LEU A 86 -0.572 -5.557 -6.353 1.00 64.43 H new ATOM 0 HD12 LEU A 86 0.325 -4.481 -5.256 1.00 64.43 H new ATOM 0 HD13 LEU A 86 -0.138 -3.913 -6.877 1.00 64.43 H new ATOM 0 HD21 LEU A 86 0.547 -6.550 -8.325 1.00 32.51 H new ATOM 0 HD22 LEU A 86 1.030 -4.946 -8.925 1.00 32.51 H new ATOM 0 HD23 LEU A 86 2.261 -6.204 -8.659 1.00 32.51 H new ATOM 1327 N ILE A 87 4.993 -3.009 -8.719 1.00 45.23 N ATOM 1328 CA ILE A 87 5.746 -1.797 -9.069 1.00 75.51 C ATOM 1329 C ILE A 87 4.795 -0.637 -9.423 1.00 31.33 C ATOM 1330 O ILE A 87 4.032 -0.711 -10.391 1.00 23.34 O ATOM 1331 CB ILE A 87 6.736 -2.049 -10.250 1.00 14.13 C ATOM 1332 CG1 ILE A 87 7.975 -2.846 -9.786 1.00 32.44 C ATOM 1333 CG2 ILE A 87 7.175 -0.731 -10.893 1.00 22.51 C ATOM 1334 CD1 ILE A 87 7.679 -4.247 -9.295 1.00 62.31 C ATOM 0 H ILE A 87 4.576 -3.488 -9.517 1.00 45.23 H new ATOM 0 HA ILE A 87 6.329 -1.522 -8.190 1.00 75.51 H new ATOM 0 HB ILE A 87 6.204 -2.641 -10.995 1.00 14.13 H new ATOM 0 HG12 ILE A 87 8.681 -2.908 -10.614 1.00 32.44 H new ATOM 0 HG13 ILE A 87 8.468 -2.292 -8.987 1.00 32.44 H new ATOM 0 HG21 ILE A 87 7.864 -0.937 -11.712 1.00 22.51 H new ATOM 0 HG22 ILE A 87 6.301 -0.205 -11.278 1.00 22.51 H new ATOM 0 HG23 ILE A 87 7.673 -0.111 -10.148 1.00 22.51 H new ATOM 0 HD11 ILE A 87 8.608 -4.730 -8.991 1.00 62.31 H new ATOM 0 HD12 ILE A 87 6.999 -4.198 -8.444 1.00 62.31 H new ATOM 0 HD13 ILE A 87 7.216 -4.823 -10.096 1.00 62.31 H new ATOM 1346 N TRP A 88 4.836 0.421 -8.618 1.00 62.40 N ATOM 1347 CA TRP A 88 4.034 1.624 -8.858 1.00 65.35 C ATOM 1348 C TRP A 88 4.628 2.443 -10.019 1.00 33.34 C ATOM 1349 O TRP A 88 5.653 3.100 -9.867 1.00 55.24 O ATOM 1350 CB TRP A 88 3.973 2.468 -7.572 1.00 62.52 C ATOM 1351 CG TRP A 88 2.968 3.585 -7.605 1.00 20.23 C ATOM 1352 CD1 TRP A 88 2.060 3.851 -8.588 1.00 72.40 C ATOM 1353 CD2 TRP A 88 2.764 4.580 -6.594 1.00 15.40 C ATOM 1354 NE1 TRP A 88 1.313 4.952 -8.255 1.00 20.31 N ATOM 1355 CE2 TRP A 88 1.724 5.416 -7.035 1.00 70.40 C ATOM 1356 CE3 TRP A 88 3.363 4.846 -5.358 1.00 71.35 C ATOM 1357 CZ2 TRP A 88 1.266 6.496 -6.289 1.00 51.15 C ATOM 1358 CZ3 TRP A 88 2.907 5.921 -4.616 1.00 44.03 C ATOM 1359 CH2 TRP A 88 1.868 6.734 -5.085 1.00 73.43 C ATOM 0 H TRP A 88 5.422 0.472 -7.784 1.00 62.40 H new ATOM 0 HA TRP A 88 3.022 1.330 -9.136 1.00 65.35 H new ATOM 0 HB2 TRP A 88 3.741 1.812 -6.733 1.00 62.52 H new ATOM 0 HB3 TRP A 88 4.960 2.890 -7.383 1.00 62.52 H new ATOM 0 HD1 TRP A 88 1.946 3.278 -9.496 1.00 72.40 H new ATOM 0 HE1 TRP A 88 0.571 5.359 -8.825 1.00 20.31 H new ATOM 0 HE3 TRP A 88 4.166 4.224 -4.990 1.00 71.35 H new ATOM 0 HZ2 TRP A 88 0.464 7.124 -6.648 1.00 51.15 H new ATOM 0 HZ3 TRP A 88 3.360 6.137 -3.659 1.00 44.03 H new ATOM 0 HH2 TRP A 88 1.535 7.567 -4.483 1.00 73.43 H new ATOM 1370 N LYS A 89 3.970 2.397 -11.174 1.00 14.21 N ATOM 1371 CA LYS A 89 4.489 3.029 -12.397 1.00 11.54 C ATOM 1372 C LYS A 89 4.186 4.540 -12.464 1.00 24.52 C ATOM 1373 O LYS A 89 4.643 5.227 -13.381 1.00 53.43 O ATOM 1374 CB LYS A 89 3.895 2.324 -13.626 1.00 12.03 C ATOM 1375 CG LYS A 89 4.278 0.850 -13.737 1.00 62.42 C ATOM 1376 CD LYS A 89 3.541 0.149 -14.877 1.00 14.42 C ATOM 1377 CE LYS A 89 3.794 0.820 -16.225 1.00 22.24 C ATOM 1378 NZ LYS A 89 3.077 0.134 -17.332 1.00 34.32 N ATOM 0 H LYS A 89 3.072 1.928 -11.295 1.00 14.21 H new ATOM 0 HA LYS A 89 5.574 2.923 -12.383 1.00 11.54 H new ATOM 0 HB2 LYS A 89 2.809 2.406 -13.590 1.00 12.03 H new ATOM 0 HB3 LYS A 89 4.224 2.844 -14.526 1.00 12.03 H new ATOM 0 HG2 LYS A 89 5.353 0.766 -13.895 1.00 62.42 H new ATOM 0 HG3 LYS A 89 4.054 0.346 -12.797 1.00 62.42 H new ATOM 0 HD2 LYS A 89 3.858 -0.893 -14.926 1.00 14.42 H new ATOM 0 HD3 LYS A 89 2.471 0.147 -14.669 1.00 14.42 H new ATOM 0 HE2 LYS A 89 3.475 1.861 -16.177 1.00 22.24 H new ATOM 0 HE3 LYS A 89 4.864 0.823 -16.433 1.00 22.24 H new ATOM 0 HZ1 LYS A 89 3.276 0.621 -18.229 1.00 34.32 H new ATOM 0 HZ2 LYS A 89 3.399 -0.853 -17.395 1.00 34.32 H new ATOM 0 HZ3 LYS A 89 2.054 0.153 -17.147 1.00 34.32 H new ATOM 1392 N ASN A 90 3.426 5.057 -11.500 1.00 52.04 N ATOM 1393 CA ASN A 90 3.030 6.476 -11.505 1.00 10.14 C ATOM 1394 C ASN A 90 4.019 7.368 -10.736 1.00 3.22 C ATOM 1395 O ASN A 90 4.357 8.462 -11.190 1.00 62.44 O ATOM 1396 CB ASN A 90 1.624 6.644 -10.924 1.00 33.31 C ATOM 1397 CG ASN A 90 0.578 5.916 -11.743 1.00 55.04 C ATOM 1398 OD1 ASN A 90 0.253 4.765 -11.476 1.00 23.21 O ATOM 1399 ND2 ASN A 90 0.057 6.573 -12.757 1.00 2.32 N ATOM 0 H ASN A 90 3.071 4.523 -10.707 1.00 52.04 H new ATOM 0 HA ASN A 90 3.038 6.798 -12.546 1.00 10.14 H new ATOM 0 HB2 ASN A 90 1.608 6.269 -9.901 1.00 33.31 H new ATOM 0 HB3 ASN A 90 1.375 7.704 -10.879 1.00 33.31 H new ATOM 0 HD21 ASN A 90 -0.641 6.125 -13.350 1.00 2.32 H new ATOM 0 HD22 ASN A 90 0.351 7.530 -12.950 1.00 2.32 H new ATOM 1406 N GLN A 91 4.471 6.908 -9.570 1.00 3.43 N ATOM 1407 CA GLN A 91 5.402 7.688 -8.744 1.00 41.12 C ATOM 1408 C GLN A 91 6.716 6.928 -8.511 1.00 65.22 C ATOM 1409 O GLN A 91 6.719 5.708 -8.353 1.00 35.44 O ATOM 1410 CB GLN A 91 4.767 8.038 -7.387 1.00 72.23 C ATOM 1411 CG GLN A 91 5.660 8.919 -6.516 1.00 4.33 C ATOM 1412 CD GLN A 91 5.147 9.096 -5.096 1.00 40.11 C ATOM 1413 OE1 GLN A 91 3.949 9.072 -4.834 1.00 14.04 O ATOM 1414 NE2 GLN A 91 6.060 9.272 -4.163 1.00 33.32 N ATOM 0 H GLN A 91 4.211 6.004 -9.174 1.00 3.43 H new ATOM 0 HA GLN A 91 5.622 8.607 -9.287 1.00 41.12 H new ATOM 0 HB2 GLN A 91 3.819 8.548 -7.557 1.00 72.23 H new ATOM 0 HB3 GLN A 91 4.541 7.117 -6.850 1.00 72.23 H new ATOM 0 HG2 GLN A 91 6.659 8.485 -6.480 1.00 4.33 H new ATOM 0 HG3 GLN A 91 5.755 9.899 -6.983 1.00 4.33 H new ATOM 0 HE21 GLN A 91 7.049 9.287 -4.413 1.00 33.32 H new ATOM 0 HE22 GLN A 91 5.778 9.393 -3.190 1.00 33.32 H new ATOM 1423 N ASN A 92 7.826 7.664 -8.484 1.00 11.03 N ATOM 1424 CA ASN A 92 9.148 7.077 -8.230 1.00 72.42 C ATOM 1425 C ASN A 92 9.515 7.145 -6.737 1.00 63.40 C ATOM 1426 O ASN A 92 8.768 7.694 -5.922 1.00 42.31 O ATOM 1427 CB ASN A 92 10.215 7.797 -9.062 1.00 1.43 C ATOM 1428 CG ASN A 92 9.948 7.704 -10.554 1.00 52.20 C ATOM 1429 OD1 ASN A 92 9.264 8.543 -11.129 1.00 54.23 O ATOM 1430 ND2 ASN A 92 10.491 6.688 -11.194 1.00 13.03 N ATOM 0 H ASN A 92 7.839 8.673 -8.635 1.00 11.03 H new ATOM 0 HA ASN A 92 9.108 6.028 -8.522 1.00 72.42 H new ATOM 0 HB2 ASN A 92 10.254 8.846 -8.768 1.00 1.43 H new ATOM 0 HB3 ASN A 92 11.193 7.368 -8.843 1.00 1.43 H new ATOM 0 HD21 ASN A 92 10.347 6.582 -12.198 1.00 13.03 H new ATOM 0 HD22 ASN A 92 11.055 6.007 -10.685 1.00 13.03 H new ATOM 1437 N SER A 93 10.674 6.586 -6.386 1.00 60.04 N ATOM 1438 CA SER A 93 11.148 6.591 -4.994 1.00 53.13 C ATOM 1439 C SER A 93 11.329 8.026 -4.475 1.00 12.45 C ATOM 1440 O SER A 93 12.197 8.765 -4.938 1.00 3.13 O ATOM 1441 CB SER A 93 12.467 5.818 -4.872 1.00 71.25 C ATOM 1442 OG SER A 93 13.484 6.388 -5.683 1.00 51.31 O ATOM 0 H SER A 93 11.303 6.124 -7.042 1.00 60.04 H new ATOM 0 HA SER A 93 10.391 6.099 -4.383 1.00 53.13 H new ATOM 0 HB2 SER A 93 12.791 5.812 -3.831 1.00 71.25 H new ATOM 0 HB3 SER A 93 12.309 4.779 -5.162 1.00 71.25 H new ATOM 0 HG SER A 93 13.373 7.361 -5.710 1.00 51.31 H new ATOM 1448 N TRP A 94 10.502 8.410 -3.507 1.00 61.51 N ATOM 1449 CA TRP A 94 10.465 9.794 -3.019 1.00 34.33 C ATOM 1450 C TRP A 94 11.655 10.134 -2.097 1.00 54.30 C ATOM 1451 O TRP A 94 12.128 11.272 -2.090 1.00 32.41 O ATOM 1452 CB TRP A 94 9.121 10.079 -2.317 1.00 11.13 C ATOM 1453 CG TRP A 94 8.762 9.111 -1.217 1.00 23.32 C ATOM 1454 CD1 TRP A 94 8.966 9.281 0.122 1.00 61.41 C ATOM 1455 CD2 TRP A 94 8.121 7.831 -1.363 1.00 43.34 C ATOM 1456 NE1 TRP A 94 8.494 8.194 0.815 1.00 51.22 N ATOM 1457 CE2 TRP A 94 7.974 7.289 -0.071 1.00 43.35 C ATOM 1458 CE3 TRP A 94 7.663 7.090 -2.457 1.00 62.14 C ATOM 1459 CZ2 TRP A 94 7.388 6.047 0.157 1.00 5.32 C ATOM 1460 CZ3 TRP A 94 7.081 5.855 -2.228 1.00 71.22 C ATOM 1461 CH2 TRP A 94 6.947 5.345 -0.931 1.00 12.41 C ATOM 0 H TRP A 94 9.845 7.784 -3.041 1.00 61.51 H new ATOM 0 HA TRP A 94 10.555 10.444 -3.889 1.00 34.33 H new ATOM 0 HB2 TRP A 94 9.152 11.086 -1.900 1.00 11.13 H new ATOM 0 HB3 TRP A 94 8.328 10.068 -3.064 1.00 11.13 H new ATOM 0 HD1 TRP A 94 9.432 10.146 0.571 1.00 61.41 H new ATOM 0 HE1 TRP A 94 8.526 8.079 1.828 1.00 51.22 H new ATOM 0 HE3 TRP A 94 7.761 7.474 -3.462 1.00 62.14 H new ATOM 0 HZ2 TRP A 94 7.285 5.652 1.157 1.00 5.32 H new ATOM 0 HZ3 TRP A 94 6.724 5.274 -3.065 1.00 71.22 H new ATOM 0 HH2 TRP A 94 6.487 4.379 -0.787 1.00 12.41 H new ATOM 1472 N GLY A 95 12.130 9.148 -1.329 1.00 43.32 N ATOM 1473 CA GLY A 95 13.286 9.348 -0.446 1.00 2.24 C ATOM 1474 C GLY A 95 13.210 10.611 0.414 1.00 35.43 C ATOM 1475 O GLY A 95 14.159 11.395 0.462 1.00 13.04 O ATOM 0 H GLY A 95 11.735 8.208 -1.300 1.00 43.32 H new ATOM 0 HA2 GLY A 95 13.382 8.482 0.209 1.00 2.24 H new ATOM 0 HA3 GLY A 95 14.190 9.390 -1.054 1.00 2.24 H new ATOM 1479 N THR A 96 12.093 10.808 1.109 1.00 54.35 N ATOM 1480 CA THR A 96 11.872 12.041 1.882 1.00 62.14 C ATOM 1481 C THR A 96 12.210 11.877 3.367 1.00 53.25 C ATOM 1482 O THR A 96 12.833 12.753 3.971 1.00 60.43 O ATOM 1483 CB THR A 96 10.409 12.535 1.774 1.00 51.44 C ATOM 1484 OG1 THR A 96 9.505 11.525 2.252 1.00 2.10 O ATOM 1485 CG2 THR A 96 10.058 12.895 0.336 1.00 62.01 C ATOM 0 H THR A 96 11.326 10.137 1.157 1.00 54.35 H new ATOM 0 HA THR A 96 12.546 12.776 1.442 1.00 62.14 H new ATOM 0 HB THR A 96 10.311 13.429 2.390 1.00 51.44 H new ATOM 0 HG1 THR A 96 8.583 11.850 2.180 1.00 2.10 H new ATOM 0 HG21 THR A 96 9.025 13.239 0.289 1.00 62.01 H new ATOM 0 HG22 THR A 96 10.720 13.687 -0.013 1.00 62.01 H new ATOM 0 HG23 THR A 96 10.177 12.017 -0.298 1.00 62.01 H new ATOM 1493 N GLY A 97 11.771 10.773 3.966 1.00 33.33 N ATOM 1494 CA GLY A 97 11.926 10.589 5.408 1.00 12.53 C ATOM 1495 C GLY A 97 10.861 11.335 6.216 1.00 54.21 C ATOM 1496 O GLY A 97 10.441 10.881 7.283 1.00 52.21 O ATOM 0 H GLY A 97 11.311 10.001 3.484 1.00 33.33 H new ATOM 0 HA2 GLY A 97 11.875 9.526 5.642 1.00 12.53 H new ATOM 0 HA3 GLY A 97 12.914 10.935 5.710 1.00 12.53 H new ATOM 1500 N GLU A 98 10.441 12.497 5.707 1.00 32.55 N ATOM 1501 CA GLU A 98 9.360 13.277 6.318 1.00 64.43 C ATOM 1502 C GLU A 98 8.036 12.495 6.303 1.00 50.01 C ATOM 1503 O GLU A 98 7.769 11.723 5.379 1.00 11.05 O ATOM 1504 CB GLU A 98 9.186 14.613 5.577 1.00 53.54 C ATOM 1505 CG GLU A 98 10.444 15.480 5.545 1.00 33.24 C ATOM 1506 CD GLU A 98 10.931 15.880 6.931 1.00 64.51 C ATOM 1507 OE1 GLU A 98 10.357 16.822 7.521 1.00 74.15 O ATOM 1508 OE2 GLU A 98 11.896 15.263 7.432 1.00 70.14 O ATOM 0 H GLU A 98 10.836 12.921 4.868 1.00 32.55 H new ATOM 0 HA GLU A 98 9.631 13.473 7.356 1.00 64.43 H new ATOM 0 HB2 GLU A 98 8.872 14.410 4.553 1.00 53.54 H new ATOM 0 HB3 GLU A 98 8.382 15.176 6.051 1.00 53.54 H new ATOM 0 HG2 GLU A 98 11.238 14.939 5.030 1.00 33.24 H new ATOM 0 HG3 GLU A 98 10.243 16.380 4.964 1.00 33.24 H new ATOM 1515 N ASP A 99 7.207 12.727 7.316 1.00 14.00 N ATOM 1516 CA ASP A 99 5.971 11.963 7.514 1.00 3.44 C ATOM 1517 C ASP A 99 4.940 12.161 6.379 1.00 11.41 C ATOM 1518 O ASP A 99 4.565 13.283 6.036 1.00 71.43 O ATOM 1519 CB ASP A 99 5.354 12.326 8.873 1.00 63.13 C ATOM 1520 CG ASP A 99 5.254 13.828 9.085 1.00 22.23 C ATOM 1521 OD1 ASP A 99 6.300 14.461 9.358 1.00 53.33 O ATOM 1522 OD2 ASP A 99 4.141 14.384 8.978 1.00 35.44 O ATOM 0 H ASP A 99 7.368 13.445 8.022 1.00 14.00 H new ATOM 0 HA ASP A 99 6.240 10.907 7.495 1.00 3.44 H new ATOM 0 HB2 ASP A 99 4.360 11.885 8.946 1.00 63.13 H new ATOM 0 HB3 ASP A 99 5.956 11.889 9.670 1.00 63.13 H new ATOM 1527 N VAL A 100 4.488 11.045 5.804 1.00 14.33 N ATOM 1528 CA VAL A 100 3.431 11.055 4.786 1.00 62.12 C ATOM 1529 C VAL A 100 2.266 10.133 5.193 1.00 53.32 C ATOM 1530 O VAL A 100 2.474 9.056 5.757 1.00 1.05 O ATOM 1531 CB VAL A 100 3.976 10.639 3.394 1.00 3.15 C ATOM 1532 CG1 VAL A 100 4.643 9.267 3.443 1.00 73.20 C ATOM 1533 CG2 VAL A 100 2.868 10.668 2.342 1.00 10.53 C ATOM 0 H VAL A 100 4.840 10.114 6.027 1.00 14.33 H new ATOM 0 HA VAL A 100 3.062 12.078 4.715 1.00 62.12 H new ATOM 0 HB VAL A 100 4.736 11.366 3.108 1.00 3.15 H new ATOM 0 HG11 VAL A 100 5.013 9.007 2.451 1.00 73.20 H new ATOM 0 HG12 VAL A 100 5.475 9.292 4.146 1.00 73.20 H new ATOM 0 HG13 VAL A 100 3.917 8.521 3.766 1.00 73.20 H new ATOM 0 HG21 VAL A 100 3.276 10.372 1.375 1.00 10.53 H new ATOM 0 HG22 VAL A 100 2.076 9.976 2.628 1.00 10.53 H new ATOM 0 HG23 VAL A 100 2.460 11.676 2.271 1.00 10.53 H new ATOM 1543 N LYS A 101 1.039 10.563 4.906 1.00 52.42 N ATOM 1544 CA LYS A 101 -0.161 9.824 5.322 1.00 74.22 C ATOM 1545 C LYS A 101 -0.875 9.176 4.123 1.00 45.01 C ATOM 1546 O LYS A 101 -1.059 9.807 3.077 1.00 60.13 O ATOM 1547 CB LYS A 101 -1.104 10.773 6.079 1.00 45.00 C ATOM 1548 CG LYS A 101 -2.356 10.107 6.644 1.00 14.15 C ATOM 1549 CD LYS A 101 -3.027 10.977 7.709 1.00 52.22 C ATOM 1550 CE LYS A 101 -3.424 12.352 7.178 1.00 14.11 C ATOM 1551 NZ LYS A 101 -3.901 13.250 8.263 1.00 42.34 N ATOM 0 H LYS A 101 0.845 11.419 4.387 1.00 52.42 H new ATOM 0 HA LYS A 101 0.142 9.012 5.984 1.00 74.22 H new ATOM 0 HB2 LYS A 101 -0.553 11.235 6.898 1.00 45.00 H new ATOM 0 HB3 LYS A 101 -1.407 11.576 5.407 1.00 45.00 H new ATOM 0 HG2 LYS A 101 -3.061 9.912 5.836 1.00 14.15 H new ATOM 0 HG3 LYS A 101 -2.092 9.142 7.076 1.00 14.15 H new ATOM 0 HD2 LYS A 101 -3.914 10.466 8.084 1.00 52.22 H new ATOM 0 HD3 LYS A 101 -2.349 11.099 8.553 1.00 52.22 H new ATOM 0 HE2 LYS A 101 -2.570 12.809 6.678 1.00 14.11 H new ATOM 0 HE3 LYS A 101 -4.208 12.239 6.429 1.00 14.11 H new ATOM 0 HZ1 LYS A 101 -4.161 14.173 7.861 1.00 42.34 H new ATOM 0 HZ2 LYS A 101 -4.732 12.827 8.723 1.00 42.34 H new ATOM 0 HZ3 LYS A 101 -3.144 13.379 8.965 1.00 42.34 H new ATOM 1565 N VAL A 102 -1.269 7.909 4.284 1.00 13.33 N ATOM 1566 CA VAL A 102 -1.907 7.143 3.204 1.00 30.53 C ATOM 1567 C VAL A 102 -3.250 6.524 3.656 1.00 34.32 C ATOM 1568 O VAL A 102 -3.407 6.111 4.809 1.00 31.23 O ATOM 1569 CB VAL A 102 -0.966 6.018 2.698 1.00 41.41 C ATOM 1570 CG1 VAL A 102 -1.580 5.279 1.511 1.00 45.11 C ATOM 1571 CG2 VAL A 102 0.411 6.578 2.335 1.00 1.10 C ATOM 0 H VAL A 102 -1.158 7.389 5.154 1.00 13.33 H new ATOM 0 HA VAL A 102 -2.106 7.843 2.392 1.00 30.53 H new ATOM 0 HB VAL A 102 -0.838 5.302 3.510 1.00 41.41 H new ATOM 0 HG11 VAL A 102 -0.898 4.496 1.178 1.00 45.11 H new ATOM 0 HG12 VAL A 102 -2.527 4.831 1.812 1.00 45.11 H new ATOM 0 HG13 VAL A 102 -1.753 5.981 0.695 1.00 45.11 H new ATOM 0 HG21 VAL A 102 1.052 5.769 1.983 1.00 1.10 H new ATOM 0 HG22 VAL A 102 0.304 7.325 1.548 1.00 1.10 H new ATOM 0 HG23 VAL A 102 0.860 7.040 3.215 1.00 1.10 H new ATOM 1581 N ILE A 103 -4.212 6.463 2.731 1.00 24.24 N ATOM 1582 CA ILE A 103 -5.559 5.941 3.014 1.00 32.11 C ATOM 1583 C ILE A 103 -5.954 4.834 2.014 1.00 74.01 C ATOM 1584 O ILE A 103 -5.648 4.926 0.823 1.00 23.25 O ATOM 1585 CB ILE A 103 -6.618 7.078 2.936 1.00 31.34 C ATOM 1586 CG1 ILE A 103 -6.275 8.223 3.907 1.00 41.34 C ATOM 1587 CG2 ILE A 103 -8.022 6.539 3.214 1.00 41.13 C ATOM 1588 CD1 ILE A 103 -6.305 7.826 5.368 1.00 62.12 C ATOM 0 H ILE A 103 -4.084 6.772 1.767 1.00 24.24 H new ATOM 0 HA ILE A 103 -5.535 5.525 4.021 1.00 32.11 H new ATOM 0 HB ILE A 103 -6.601 7.477 1.922 1.00 31.34 H new ATOM 0 HG12 ILE A 103 -5.283 8.604 3.666 1.00 41.34 H new ATOM 0 HG13 ILE A 103 -6.978 9.041 3.750 1.00 41.34 H new ATOM 0 HG21 ILE A 103 -8.743 7.354 3.153 1.00 41.13 H new ATOM 0 HG22 ILE A 103 -8.272 5.777 2.476 1.00 41.13 H new ATOM 0 HG23 ILE A 103 -8.053 6.101 4.212 1.00 41.13 H new ATOM 0 HD11 ILE A 103 -6.052 8.689 5.985 1.00 62.12 H new ATOM 0 HD12 ILE A 103 -7.303 7.473 5.629 1.00 62.12 H new ATOM 0 HD13 ILE A 103 -5.581 7.030 5.544 1.00 62.12 H new ATOM 1600 N LEU A 104 -6.638 3.794 2.499 1.00 74.31 N ATOM 1601 CA LEU A 104 -7.134 2.710 1.633 1.00 13.21 C ATOM 1602 C LEU A 104 -8.670 2.680 1.589 1.00 4.31 C ATOM 1603 O LEU A 104 -9.332 2.517 2.620 1.00 63.30 O ATOM 1604 CB LEU A 104 -6.616 1.344 2.109 1.00 64.32 C ATOM 1605 CG LEU A 104 -5.101 1.123 1.980 1.00 70.11 C ATOM 1606 CD1 LEU A 104 -4.723 -0.274 2.468 1.00 72.14 C ATOM 1607 CD2 LEU A 104 -4.641 1.336 0.538 1.00 43.53 C ATOM 0 H LEU A 104 -6.863 3.676 3.487 1.00 74.31 H new ATOM 0 HA LEU A 104 -6.758 2.910 0.630 1.00 13.21 H new ATOM 0 HB2 LEU A 104 -6.896 1.214 3.155 1.00 64.32 H new ATOM 0 HB3 LEU A 104 -7.127 0.565 1.543 1.00 64.32 H new ATOM 0 HG LEU A 104 -4.593 1.856 2.607 1.00 70.11 H new ATOM 0 HD11 LEU A 104 -3.647 -0.415 2.370 1.00 72.14 H new ATOM 0 HD12 LEU A 104 -5.010 -0.384 3.514 1.00 72.14 H new ATOM 0 HD13 LEU A 104 -5.243 -1.022 1.869 1.00 72.14 H new ATOM 0 HD21 LEU A 104 -3.565 1.174 0.472 1.00 43.53 H new ATOM 0 HD22 LEU A 104 -5.155 0.631 -0.116 1.00 43.53 H new ATOM 0 HD23 LEU A 104 -4.874 2.355 0.228 1.00 43.53 H new ATOM 1619 N LYS A 105 -9.227 2.834 0.389 1.00 51.45 N ATOM 1620 CA LYS A 105 -10.677 2.761 0.185 1.00 71.14 C ATOM 1621 C LYS A 105 -11.045 1.687 -0.844 1.00 33.54 C ATOM 1622 O LYS A 105 -10.308 1.452 -1.804 1.00 11.24 O ATOM 1623 CB LYS A 105 -11.226 4.102 -0.314 1.00 40.05 C ATOM 1624 CG LYS A 105 -11.042 5.272 0.646 1.00 41.35 C ATOM 1625 CD LYS A 105 -11.780 6.508 0.140 1.00 54.44 C ATOM 1626 CE LYS A 105 -11.623 7.703 1.067 1.00 63.24 C ATOM 1627 NZ LYS A 105 -12.417 8.866 0.595 1.00 43.33 N ATOM 0 H LYS A 105 -8.694 3.011 -0.463 1.00 51.45 H new ATOM 0 HA LYS A 105 -11.116 2.509 1.150 1.00 71.14 H new ATOM 0 HB2 LYS A 105 -10.741 4.347 -1.259 1.00 40.05 H new ATOM 0 HB3 LYS A 105 -12.290 3.987 -0.523 1.00 40.05 H new ATOM 0 HG2 LYS A 105 -11.414 5.000 1.634 1.00 41.35 H new ATOM 0 HG3 LYS A 105 -9.981 5.496 0.755 1.00 41.35 H new ATOM 0 HD2 LYS A 105 -11.407 6.769 -0.850 1.00 54.44 H new ATOM 0 HD3 LYS A 105 -12.839 6.275 0.030 1.00 54.44 H new ATOM 0 HE2 LYS A 105 -11.940 7.429 2.073 1.00 63.24 H new ATOM 0 HE3 LYS A 105 -10.571 7.981 1.129 1.00 63.24 H new ATOM 0 HZ1 LYS A 105 -12.287 9.664 1.250 1.00 43.33 H new ATOM 0 HZ2 LYS A 105 -12.097 9.142 -0.355 1.00 43.33 H new ATOM 0 HZ3 LYS A 105 -13.424 8.608 0.559 1.00 43.33 H new ATOM 1641 N ASN A 106 -12.195 1.047 -0.655 1.00 61.25 N ATOM 1642 CA ASN A 106 -12.753 0.167 -1.683 1.00 1.33 C ATOM 1643 C ASN A 106 -13.387 1.004 -2.805 1.00 21.31 C ATOM 1644 O ASN A 106 -13.847 2.127 -2.574 1.00 55.23 O ATOM 1645 CB ASN A 106 -13.783 -0.797 -1.082 1.00 23.42 C ATOM 1646 CG ASN A 106 -13.144 -1.793 -0.135 1.00 22.54 C ATOM 1647 OD1 ASN A 106 -12.990 -1.535 1.050 1.00 45.33 O ATOM 1648 ND2 ASN A 106 -12.772 -2.947 -0.652 1.00 0.22 N ATOM 0 H ASN A 106 -12.757 1.118 0.193 1.00 61.25 H new ATOM 0 HA ASN A 106 -11.943 -0.429 -2.103 1.00 1.33 H new ATOM 0 HB2 ASN A 106 -14.545 -0.228 -0.549 1.00 23.42 H new ATOM 0 HB3 ASN A 106 -14.289 -1.333 -1.885 1.00 23.42 H new ATOM 0 HD21 ASN A 106 -12.341 -3.656 -0.059 1.00 0.22 H new ATOM 0 HD22 ASN A 106 -12.915 -3.131 -1.645 1.00 0.22 H new ATOM 1655 N SER A 107 -13.439 0.447 -4.011 1.00 13.22 N ATOM 1656 CA SER A 107 -13.867 1.197 -5.207 1.00 13.32 C ATOM 1657 C SER A 107 -15.361 1.582 -5.183 1.00 62.11 C ATOM 1658 O SER A 107 -15.891 2.082 -6.176 1.00 54.32 O ATOM 1659 CB SER A 107 -13.556 0.386 -6.473 1.00 43.23 C ATOM 1660 OG SER A 107 -13.812 1.137 -7.653 1.00 1.23 O ATOM 0 H SER A 107 -13.191 -0.525 -4.195 1.00 13.22 H new ATOM 0 HA SER A 107 -13.303 2.130 -5.209 1.00 13.32 H new ATOM 0 HB2 SER A 107 -12.511 0.075 -6.459 1.00 43.23 H new ATOM 0 HB3 SER A 107 -14.159 -0.522 -6.481 1.00 43.23 H new ATOM 0 HG SER A 107 -14.649 1.635 -7.548 1.00 1.23 H new ATOM 1666 N GLN A 108 -16.036 1.362 -4.055 1.00 63.42 N ATOM 1667 CA GLN A 108 -17.436 1.784 -3.890 1.00 70.43 C ATOM 1668 C GLN A 108 -17.528 3.145 -3.177 1.00 5.24 C ATOM 1669 O GLN A 108 -18.622 3.631 -2.884 1.00 42.32 O ATOM 1670 CB GLN A 108 -18.224 0.738 -3.088 1.00 45.40 C ATOM 1671 CG GLN A 108 -18.162 -0.668 -3.668 1.00 74.21 C ATOM 1672 CD GLN A 108 -19.049 -1.647 -2.913 1.00 71.24 C ATOM 1673 OE1 GLN A 108 -20.207 -1.855 -3.263 1.00 4.51 O ATOM 1674 NE2 GLN A 108 -18.525 -2.237 -1.858 1.00 64.23 N ATOM 0 H GLN A 108 -15.640 0.894 -3.239 1.00 63.42 H new ATOM 0 HA GLN A 108 -17.868 1.879 -4.886 1.00 70.43 H new ATOM 0 HB2 GLN A 108 -17.842 0.715 -2.067 1.00 45.40 H new ATOM 0 HB3 GLN A 108 -19.267 1.050 -3.031 1.00 45.40 H new ATOM 0 HG2 GLN A 108 -18.465 -0.640 -4.715 1.00 74.21 H new ATOM 0 HG3 GLN A 108 -17.132 -1.023 -3.644 1.00 74.21 H new ATOM 0 HE21 GLN A 108 -17.559 -2.043 -1.593 1.00 64.23 H new ATOM 0 HE22 GLN A 108 -19.085 -2.887 -1.307 1.00 64.23 H new ATOM 1683 N GLY A 109 -16.374 3.752 -2.902 1.00 23.32 N ATOM 1684 CA GLY A 109 -16.343 5.016 -2.172 1.00 44.54 C ATOM 1685 C GLY A 109 -16.443 4.830 -0.661 1.00 14.40 C ATOM 1686 O GLY A 109 -17.065 5.634 0.038 1.00 0.43 O ATOM 0 H GLY A 109 -15.458 3.393 -3.171 1.00 23.32 H new ATOM 0 HA2 GLY A 109 -15.419 5.544 -2.408 1.00 44.54 H new ATOM 0 HA3 GLY A 109 -17.165 5.646 -2.511 1.00 44.54 H new ATOM 1690 N GLU A 110 -15.821 3.771 -0.152 1.00 40.54 N ATOM 1691 CA GLU A 110 -15.882 3.440 1.278 1.00 63.24 C ATOM 1692 C GLU A 110 -14.475 3.300 1.885 1.00 62.12 C ATOM 1693 O GLU A 110 -13.636 2.554 1.378 1.00 33.53 O ATOM 1694 CB GLU A 110 -16.704 2.154 1.478 1.00 10.53 C ATOM 1695 CG GLU A 110 -16.375 1.048 0.478 1.00 14.00 C ATOM 1696 CD GLU A 110 -17.344 -0.125 0.552 1.00 53.20 C ATOM 1697 OE1 GLU A 110 -18.565 0.106 0.437 1.00 51.31 O ATOM 1698 OE2 GLU A 110 -16.891 -1.278 0.718 1.00 75.25 O ATOM 0 H GLU A 110 -15.265 3.121 -0.707 1.00 40.54 H new ATOM 0 HA GLU A 110 -16.375 4.259 1.802 1.00 63.24 H new ATOM 0 HB2 GLU A 110 -16.535 1.780 2.488 1.00 10.53 H new ATOM 0 HB3 GLU A 110 -17.764 2.396 1.401 1.00 10.53 H new ATOM 0 HG2 GLU A 110 -16.389 1.461 -0.531 1.00 14.00 H new ATOM 0 HG3 GLU A 110 -15.362 0.689 0.661 1.00 14.00 H new ATOM 1705 N GLU A 111 -14.234 4.034 2.970 1.00 73.21 N ATOM 1706 CA GLU A 111 -12.913 4.092 3.611 1.00 53.14 C ATOM 1707 C GLU A 111 -12.775 3.026 4.712 1.00 2.34 C ATOM 1708 O GLU A 111 -13.632 2.915 5.588 1.00 34.42 O ATOM 1709 CB GLU A 111 -12.709 5.498 4.194 1.00 10.15 C ATOM 1710 CG GLU A 111 -11.329 5.753 4.790 1.00 73.22 C ATOM 1711 CD GLU A 111 -11.160 7.201 5.227 1.00 65.21 C ATOM 1712 OE1 GLU A 111 -10.955 8.068 4.352 1.00 44.30 O ATOM 1713 OE2 GLU A 111 -11.264 7.487 6.439 1.00 35.31 O ATOM 0 H GLU A 111 -14.943 4.604 3.431 1.00 73.21 H new ATOM 0 HA GLU A 111 -12.147 3.884 2.864 1.00 53.14 H new ATOM 0 HB2 GLU A 111 -12.890 6.231 3.408 1.00 10.15 H new ATOM 0 HB3 GLU A 111 -13.459 5.667 4.967 1.00 10.15 H new ATOM 0 HG2 GLU A 111 -11.175 5.095 5.645 1.00 73.22 H new ATOM 0 HG3 GLU A 111 -10.564 5.504 4.055 1.00 73.22 H new ATOM 1720 N VAL A 112 -11.690 2.247 4.667 1.00 73.22 N ATOM 1721 CA VAL A 112 -11.481 1.155 5.630 1.00 13.13 C ATOM 1722 C VAL A 112 -10.160 1.307 6.408 1.00 21.11 C ATOM 1723 O VAL A 112 -10.162 1.481 7.628 1.00 13.51 O ATOM 1724 CB VAL A 112 -11.495 -0.227 4.923 1.00 50.22 C ATOM 1725 CG1 VAL A 112 -11.291 -1.362 5.928 1.00 0.31 C ATOM 1726 CG2 VAL A 112 -12.792 -0.422 4.136 1.00 15.20 C ATOM 0 H VAL A 112 -10.944 2.349 3.978 1.00 73.22 H new ATOM 0 HA VAL A 112 -12.308 1.213 6.338 1.00 13.13 H new ATOM 0 HB VAL A 112 -10.664 -0.251 4.218 1.00 50.22 H new ATOM 0 HG11 VAL A 112 -11.305 -2.318 5.405 1.00 0.31 H new ATOM 0 HG12 VAL A 112 -10.331 -1.237 6.429 1.00 0.31 H new ATOM 0 HG13 VAL A 112 -12.091 -1.341 6.668 1.00 0.31 H new ATOM 0 HG21 VAL A 112 -12.779 -1.397 3.649 1.00 15.20 H new ATOM 0 HG22 VAL A 112 -13.642 -0.367 4.816 1.00 15.20 H new ATOM 0 HG23 VAL A 112 -12.880 0.359 3.381 1.00 15.20 H new ATOM 1736 N ALA A 113 -9.032 1.237 5.701 1.00 44.52 N ATOM 1737 CA ALA A 113 -7.713 1.258 6.348 1.00 71.51 C ATOM 1738 C ALA A 113 -7.034 2.632 6.251 1.00 43.22 C ATOM 1739 O ALA A 113 -7.170 3.337 5.253 1.00 43.11 O ATOM 1740 CB ALA A 113 -6.816 0.184 5.740 1.00 30.02 C ATOM 0 H ALA A 113 -9.001 1.165 4.684 1.00 44.52 H new ATOM 0 HA ALA A 113 -7.868 1.051 7.407 1.00 71.51 H new ATOM 0 HB1 ALA A 113 -5.840 0.207 6.226 1.00 30.02 H new ATOM 0 HB2 ALA A 113 -7.271 -0.796 5.886 1.00 30.02 H new ATOM 0 HB3 ALA A 113 -6.695 0.372 4.673 1.00 30.02 H new ATOM 1746 N GLN A 114 -6.287 2.996 7.294 1.00 23.33 N ATOM 1747 CA GLN A 114 -5.558 4.271 7.332 1.00 10.45 C ATOM 1748 C GLN A 114 -4.227 4.122 8.088 1.00 11.41 C ATOM 1749 O GLN A 114 -4.160 3.429 9.104 1.00 25.24 O ATOM 1750 CB GLN A 114 -6.414 5.356 8.006 1.00 53.42 C ATOM 1751 CG GLN A 114 -6.835 5.019 9.436 1.00 31.21 C ATOM 1752 CD GLN A 114 -7.535 6.172 10.145 1.00 5.23 C ATOM 1753 OE1 GLN A 114 -8.403 5.966 10.986 1.00 35.45 O ATOM 1754 NE2 GLN A 114 -7.148 7.393 9.836 1.00 3.21 N ATOM 0 H GLN A 114 -6.169 2.424 8.130 1.00 23.33 H new ATOM 0 HA GLN A 114 -5.345 4.565 6.304 1.00 10.45 H new ATOM 0 HB2 GLN A 114 -5.855 6.292 8.014 1.00 53.42 H new ATOM 0 HB3 GLN A 114 -7.308 5.524 7.405 1.00 53.42 H new ATOM 0 HG2 GLN A 114 -7.500 4.155 9.418 1.00 31.21 H new ATOM 0 HG3 GLN A 114 -5.953 4.731 10.009 1.00 31.21 H new ATOM 0 HE21 GLN A 114 -6.423 7.536 9.132 1.00 3.21 H new ATOM 0 HE22 GLN A 114 -7.573 8.196 10.300 1.00 3.21 H new ATOM 1763 N ARG A 115 -3.167 4.761 7.587 1.00 72.32 N ATOM 1764 CA ARG A 115 -1.865 4.727 8.268 1.00 0.21 C ATOM 1765 C ARG A 115 -0.892 5.786 7.720 1.00 22.50 C ATOM 1766 O ARG A 115 -0.793 5.998 6.510 1.00 3.42 O ATOM 1767 CB ARG A 115 -1.232 3.328 8.162 1.00 4.14 C ATOM 1768 CG ARG A 115 0.168 3.236 8.769 1.00 23.34 C ATOM 1769 CD ARG A 115 0.679 1.799 8.827 1.00 12.21 C ATOM 1770 NE ARG A 115 -0.115 0.966 9.731 1.00 72.21 N ATOM 1771 CZ ARG A 115 0.236 0.675 10.958 1.00 3.31 C ATOM 1772 NH1 ARG A 115 1.350 1.115 11.444 1.00 11.30 N ATOM 1773 NH2 ARG A 115 -0.528 -0.060 11.696 1.00 60.50 N ATOM 0 H ARG A 115 -3.180 5.303 6.723 1.00 72.32 H new ATOM 0 HA ARG A 115 -2.051 4.960 9.316 1.00 0.21 H new ATOM 0 HB2 ARG A 115 -1.881 2.607 8.659 1.00 4.14 H new ATOM 0 HB3 ARG A 115 -1.182 3.041 7.112 1.00 4.14 H new ATOM 0 HG2 ARG A 115 0.858 3.841 8.181 1.00 23.34 H new ATOM 0 HG3 ARG A 115 0.154 3.656 9.775 1.00 23.34 H new ATOM 0 HD2 ARG A 115 0.659 1.367 7.826 1.00 12.21 H new ATOM 0 HD3 ARG A 115 1.719 1.798 9.154 1.00 12.21 H new ATOM 0 HE ARG A 115 -0.997 0.589 9.383 1.00 72.21 H new ATOM 0 HH11 ARG A 115 1.963 1.694 10.870 1.00 11.30 H new ATOM 0 HH12 ARG A 115 1.616 0.883 12.401 1.00 11.30 H new ATOM 0 HH21 ARG A 115 -1.408 -0.416 11.323 1.00 60.50 H new ATOM 0 HH22 ARG A 115 -0.251 -0.285 12.652 1.00 60.50 H new ATOM 1787 N SER A 116 -0.187 6.460 8.629 1.00 51.03 N ATOM 1788 CA SER A 116 0.873 7.409 8.259 1.00 31.23 C ATOM 1789 C SER A 116 2.250 6.870 8.663 1.00 44.12 C ATOM 1790 O SER A 116 2.365 6.062 9.590 1.00 53.45 O ATOM 1791 CB SER A 116 0.640 8.765 8.935 1.00 74.14 C ATOM 1792 OG SER A 116 0.666 8.648 10.349 1.00 43.33 O ATOM 0 H SER A 116 -0.330 6.368 9.635 1.00 51.03 H new ATOM 0 HA SER A 116 0.844 7.536 7.177 1.00 31.23 H new ATOM 0 HB2 SER A 116 1.405 9.471 8.612 1.00 74.14 H new ATOM 0 HB3 SER A 116 -0.321 9.171 8.619 1.00 74.14 H new ATOM 0 HG SER A 116 0.516 9.528 10.753 1.00 43.33 H new ATOM 1798 N THR A 117 3.296 7.316 7.969 1.00 31.13 N ATOM 1799 CA THR A 117 4.669 6.887 8.275 1.00 72.34 C ATOM 1800 C THR A 117 5.092 7.309 9.687 1.00 44.24 C ATOM 1801 O THR A 117 5.338 8.488 9.951 1.00 23.01 O ATOM 1802 CB THR A 117 5.693 7.460 7.264 1.00 23.13 C ATOM 1803 OG1 THR A 117 5.616 8.892 7.246 1.00 23.52 O ATOM 1804 CG2 THR A 117 5.450 6.915 5.861 1.00 33.41 C ATOM 0 H THR A 117 3.224 7.973 7.192 1.00 31.13 H new ATOM 0 HA THR A 117 4.665 5.799 8.205 1.00 72.34 H new ATOM 0 HB THR A 117 6.689 7.151 7.583 1.00 23.13 H new ATOM 0 HG1 THR A 117 5.415 9.220 8.147 1.00 23.52 H new ATOM 0 HG21 THR A 117 6.185 7.336 5.175 1.00 33.41 H new ATOM 0 HG22 THR A 117 5.543 5.829 5.871 1.00 33.41 H new ATOM 0 HG23 THR A 117 4.448 7.190 5.532 1.00 33.41 H new ATOM 1812 N VAL A 118 5.168 6.338 10.594 1.00 54.31 N ATOM 1813 CA VAL A 118 5.582 6.598 11.975 1.00 32.10 C ATOM 1814 C VAL A 118 7.026 7.139 12.046 1.00 11.21 C ATOM 1815 O VAL A 118 7.999 6.383 11.996 1.00 63.53 O ATOM 1816 CB VAL A 118 5.431 5.325 12.856 1.00 54.30 C ATOM 1817 CG1 VAL A 118 6.138 4.122 12.229 1.00 63.45 C ATOM 1818 CG2 VAL A 118 5.942 5.582 14.274 1.00 42.22 C ATOM 0 H VAL A 118 4.948 5.361 10.399 1.00 54.31 H new ATOM 0 HA VAL A 118 4.919 7.368 12.369 1.00 32.10 H new ATOM 0 HB VAL A 118 4.369 5.087 12.914 1.00 54.30 H new ATOM 0 HG11 VAL A 118 6.012 3.250 12.871 1.00 63.45 H new ATOM 0 HG12 VAL A 118 5.707 3.916 11.249 1.00 63.45 H new ATOM 0 HG13 VAL A 118 7.200 4.341 12.119 1.00 63.45 H new ATOM 0 HG21 VAL A 118 5.826 4.678 14.872 1.00 42.22 H new ATOM 0 HG22 VAL A 118 6.995 5.860 14.236 1.00 42.22 H new ATOM 0 HG23 VAL A 118 5.369 6.392 14.726 1.00 42.22 H new