USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 740 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 88 THR OG1 : rot 180:sc= -0.591 USER MOD Set 1.2: A 106 THR OG1 : rot -58:sc= 0.0413 USER MOD Set 2.1: A 82 THR OG1 : rot 83:sc= 1.06 USER MOD Set 2.2: A 87 TYR OH : rot 178:sc= -0.432 USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= -1.14 F(o=-3.6!,f=-1.2) USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= -0.0116 USER MOD Set 4.1: A 23 HIS : no HD1:sc= -1.74! K(o=-1.3!,f=-3.8) USER MOD Set 4.2: A 25 SER OG : rot -150:sc= 0.396 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -170:sc= -3.57! USER MOD Single : A 35 LYS NZ :NH3+ -133:sc= -0.116 (180deg=-1.72!) USER MOD Single : A 37 SER OG : rot -120:sc= -1.35 USER MOD Single : A 39 GLN : amide:sc= 0.0975 K(o=0.097,f=-4.9!) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 0.692 (180deg=0.46) USER MOD Single : A 45 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.035) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00264 USER MOD Single : A 51 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 54 SER OG : rot -150:sc= -0.605 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0554 K(o=-0.055,f=-1.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc=-0.00862 X(o=-0.0086,f=-0.041) USER MOD Single : A 63 THR OG1 : rot -138:sc= -0.0854 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0544 K(o=-0.054,f=-3.1!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 79:sc= 0.474 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -177:sc= -3.35 (180deg=-3.44) USER MOD Single : A 95 THR OG1 : rot 147:sc= -1.17 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -3.03 F(o=-7.9!,f=-3) USER MOD Single : A 101 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.97) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -154:sc= -0.726! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.392 -0.603 -13.307 1.00 0.00 N ATOM 203 CA ASP A 16 17.161 0.149 -12.331 1.00 0.00 C ATOM 204 C ASP A 16 16.377 0.224 -11.019 1.00 0.00 C ATOM 205 O ASP A 16 16.877 -0.176 -9.969 1.00 0.00 O ATOM 206 CB ASP A 16 17.414 1.579 -12.812 1.00 0.00 C ATOM 207 CG ASP A 16 18.428 2.371 -11.983 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.062 2.749 -10.850 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.546 2.579 -12.502 1.00 0.00 O ATOM 0 HA ASP A 16 18.115 -0.358 -12.190 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.761 1.543 -13.845 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.467 2.119 -12.813 1.00 0.00 H new ATOM 214 N VAL A 17 15.161 0.739 -11.122 1.00 0.00 N ATOM 215 CA VAL A 17 14.302 0.872 -9.957 1.00 0.00 C ATOM 216 C VAL A 17 14.395 -0.402 -9.114 1.00 0.00 C ATOM 217 O VAL A 17 14.875 -1.430 -9.587 1.00 0.00 O ATOM 218 CB VAL A 17 12.873 1.196 -10.394 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.711 2.692 -10.673 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.470 0.365 -11.614 1.00 0.00 C ATOM 0 H VAL A 17 14.750 1.070 -11.995 1.00 0.00 H new ATOM 0 HA VAL A 17 14.632 1.702 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 17 12.205 0.933 -9.574 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.686 2.896 -10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.936 3.257 -9.769 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.395 2.990 -11.467 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.449 0.615 -11.904 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.146 0.582 -12.441 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.527 -0.695 -11.367 1.00 0.00 H new ATOM 230 N PRO A 18 13.915 -0.288 -7.846 1.00 0.00 N ATOM 231 CA PRO A 18 13.939 -1.417 -6.933 1.00 0.00 C ATOM 232 C PRO A 18 12.853 -2.434 -7.289 1.00 0.00 C ATOM 233 O PRO A 18 12.096 -2.233 -8.238 1.00 0.00 O ATOM 234 CB PRO A 18 13.753 -0.810 -5.552 1.00 0.00 C ATOM 235 CG PRO A 18 13.170 0.575 -5.780 1.00 0.00 C ATOM 236 CD PRO A 18 13.339 0.915 -7.252 1.00 0.00 C ATOM 0 HA PRO A 18 14.871 -1.979 -6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.085 -1.420 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.703 -0.751 -5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.116 0.596 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.679 1.311 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.384 1.166 -7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.994 1.776 -7.387 1.00 0.00 H new ATOM 244 N GLY A 19 12.811 -3.505 -6.510 1.00 0.00 N ATOM 245 CA GLY A 19 11.830 -4.554 -6.732 1.00 0.00 C ATOM 246 C GLY A 19 10.647 -4.410 -5.772 1.00 0.00 C ATOM 247 O GLY A 19 10.328 -3.306 -5.335 1.00 0.00 O ATOM 0 H GLY A 19 13.440 -3.669 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.475 -4.513 -7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.298 -5.529 -6.595 1.00 0.00 H new ATOM 251 N PRO A 20 10.012 -5.573 -5.464 1.00 0.00 N ATOM 252 CA PRO A 20 8.872 -5.588 -4.564 1.00 0.00 C ATOM 253 C PRO A 20 9.317 -5.406 -3.112 1.00 0.00 C ATOM 254 O PRO A 20 10.194 -6.124 -2.633 1.00 0.00 O ATOM 255 CB PRO A 20 8.191 -6.923 -4.814 1.00 0.00 C ATOM 256 CG PRO A 20 9.227 -7.798 -5.500 1.00 0.00 C ATOM 257 CD PRO A 20 10.362 -6.900 -5.963 1.00 0.00 C ATOM 0 HA PRO A 20 8.182 -4.764 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.858 -7.373 -3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.308 -6.799 -5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.598 -8.559 -4.814 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.784 -8.321 -6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.319 -7.234 -5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.452 -6.904 -7.049 1.00 0.00 H new ATOM 265 N VAL A 21 8.693 -4.443 -2.451 1.00 0.00 N ATOM 266 CA VAL A 21 9.014 -4.158 -1.063 1.00 0.00 C ATOM 267 C VAL A 21 8.876 -5.440 -0.238 1.00 0.00 C ATOM 268 O VAL A 21 8.719 -6.526 -0.794 1.00 0.00 O ATOM 269 CB VAL A 21 8.135 -3.017 -0.546 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.496 -1.695 -1.226 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.651 -3.342 -0.730 1.00 0.00 C ATOM 0 H VAL A 21 7.966 -3.850 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 21 10.047 -3.822 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 21 8.324 -2.906 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.856 -0.901 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.539 -1.453 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.350 -1.788 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.048 -2.515 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.440 -3.493 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.406 -4.249 -0.178 1.00 0.00 H new ATOM 281 N GLY A 22 8.939 -5.271 1.074 1.00 0.00 N ATOM 282 CA GLY A 22 8.823 -6.400 1.981 1.00 0.00 C ATOM 283 C GLY A 22 7.505 -7.146 1.761 1.00 0.00 C ATOM 284 O GLY A 22 6.926 -7.085 0.678 1.00 0.00 O ATOM 0 H GLY A 22 9.069 -4.369 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.660 -7.081 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.880 -6.050 3.012 1.00 0.00 H new ATOM 288 N HIS A 23 7.070 -7.834 2.807 1.00 0.00 N ATOM 289 CA HIS A 23 5.832 -8.591 2.742 1.00 0.00 C ATOM 290 C HIS A 23 4.677 -7.732 3.262 1.00 0.00 C ATOM 291 O HIS A 23 4.666 -7.341 4.428 1.00 0.00 O ATOM 292 CB HIS A 23 5.967 -9.918 3.491 1.00 0.00 C ATOM 293 CG HIS A 23 5.488 -9.867 4.922 1.00 0.00 C ATOM 294 ND1 HIS A 23 4.475 -10.678 5.404 1.00 0.00 N ATOM 295 CD2 HIS A 23 5.895 -9.096 5.971 1.00 0.00 C ATOM 296 CE1 HIS A 23 4.288 -10.398 6.685 1.00 0.00 C ATOM 297 NE2 HIS A 23 5.169 -9.417 7.035 1.00 0.00 N ATOM 0 H HIS A 23 7.553 -7.883 3.704 1.00 0.00 H new ATOM 0 HA HIS A 23 5.612 -8.846 1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.404 -10.684 2.957 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.013 -10.225 3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.676 -8.350 5.941 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.565 -10.864 7.338 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.256 -8.999 7.961 1.00 0.00 H new ATOM 305 N LEU A 24 3.734 -7.463 2.370 1.00 0.00 N ATOM 306 CA LEU A 24 2.578 -6.657 2.724 1.00 0.00 C ATOM 307 C LEU A 24 1.928 -7.232 3.984 1.00 0.00 C ATOM 308 O LEU A 24 1.757 -8.445 4.101 1.00 0.00 O ATOM 309 CB LEU A 24 1.621 -6.543 1.536 1.00 0.00 C ATOM 310 CG LEU A 24 1.619 -5.199 0.804 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.828 -4.149 1.587 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.046 -4.736 0.504 1.00 0.00 C ATOM 0 H LEU A 24 3.747 -7.789 1.404 1.00 0.00 H new ATOM 0 HA LEU A 24 2.882 -5.637 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.869 -7.325 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.609 -6.744 1.889 1.00 0.00 H new ATOM 0 HG LEU A 24 1.116 -5.332 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.843 -3.204 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.203 -4.484 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.280 -4.011 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.016 -3.779 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.596 -4.624 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.544 -5.475 -0.124 1.00 0.00 H new ATOM 324 N SER A 25 1.583 -6.334 4.896 1.00 0.00 N ATOM 325 CA SER A 25 0.955 -6.737 6.142 1.00 0.00 C ATOM 326 C SER A 25 -0.099 -5.707 6.554 1.00 0.00 C ATOM 327 O SER A 25 0.027 -4.525 6.238 1.00 0.00 O ATOM 328 CB SER A 25 1.994 -6.906 7.253 1.00 0.00 C ATOM 329 OG SER A 25 3.195 -7.504 6.773 1.00 0.00 O ATOM 0 H SER A 25 1.727 -5.329 4.796 1.00 0.00 H new ATOM 0 HA SER A 25 0.470 -7.701 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.222 -5.933 7.688 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.576 -7.521 8.050 1.00 0.00 H new ATOM 0 HG SER A 25 3.614 -8.020 7.493 1.00 0.00 H new ATOM 335 N PHE A 26 -1.114 -6.193 7.253 1.00 0.00 N ATOM 336 CA PHE A 26 -2.189 -5.330 7.711 1.00 0.00 C ATOM 337 C PHE A 26 -2.551 -5.630 9.167 1.00 0.00 C ATOM 338 O PHE A 26 -2.691 -6.790 9.549 1.00 0.00 O ATOM 339 CB PHE A 26 -3.404 -5.620 6.826 1.00 0.00 C ATOM 340 CG PHE A 26 -3.150 -5.408 5.332 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.525 -4.280 4.902 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.550 -6.348 4.435 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.290 -4.083 3.516 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.315 -6.151 3.048 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.690 -5.023 2.618 1.00 0.00 C ATOM 0 H PHE A 26 -1.215 -7.174 7.513 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.880 -4.287 7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.721 -6.650 6.988 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.229 -4.980 7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.207 -3.534 5.615 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.046 -7.244 4.777 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.794 -3.187 3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.633 -6.897 2.335 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.511 -4.873 1.564 1.00 0.00 H new ATOM 355 N SER A 27 -2.691 -4.563 9.940 1.00 0.00 N ATOM 356 CA SER A 27 -3.034 -4.697 11.346 1.00 0.00 C ATOM 357 C SER A 27 -4.081 -3.651 11.731 1.00 0.00 C ATOM 358 O SER A 27 -4.365 -2.737 10.958 1.00 0.00 O ATOM 359 CB SER A 27 -1.793 -4.558 12.230 1.00 0.00 C ATOM 360 OG SER A 27 -1.213 -5.822 12.539 1.00 0.00 O ATOM 0 H SER A 27 -2.573 -3.602 9.619 1.00 0.00 H new ATOM 0 HA SER A 27 -3.450 -5.692 11.504 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.056 -3.935 11.724 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.062 -4.047 13.154 1.00 0.00 H new ATOM 0 HG SER A 27 -0.423 -5.690 13.103 1.00 0.00 H new ATOM 366 N GLU A 28 -4.627 -3.819 12.927 1.00 0.00 N ATOM 367 CA GLU A 28 -5.637 -2.900 13.425 1.00 0.00 C ATOM 368 C GLU A 28 -6.594 -2.503 12.299 1.00 0.00 C ATOM 369 O GLU A 28 -6.795 -1.318 12.039 1.00 0.00 O ATOM 370 CB GLU A 28 -4.991 -1.665 14.056 1.00 0.00 C ATOM 371 CG GLU A 28 -4.334 -2.013 15.393 1.00 0.00 C ATOM 372 CD GLU A 28 -4.851 -1.105 16.511 1.00 0.00 C ATOM 373 OE1 GLU A 28 -4.731 0.128 16.342 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.356 -1.664 17.509 1.00 0.00 O ATOM 0 H GLU A 28 -4.389 -4.578 13.566 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.210 -3.406 14.202 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.245 -1.253 13.376 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.745 -0.893 14.207 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.538 -3.054 15.642 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.252 -1.911 15.308 1.00 0.00 H new ATOM 381 N ILE A 29 -7.160 -3.518 11.661 1.00 0.00 N ATOM 382 CA ILE A 29 -8.091 -3.290 10.570 1.00 0.00 C ATOM 383 C ILE A 29 -9.479 -2.994 11.143 1.00 0.00 C ATOM 384 O ILE A 29 -9.838 -3.505 12.203 1.00 0.00 O ATOM 385 CB ILE A 29 -8.068 -4.465 9.591 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.631 -4.856 9.237 1.00 0.00 C ATOM 387 CG2 ILE A 29 -8.901 -4.158 8.345 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.555 -5.452 7.831 1.00 0.00 C ATOM 0 H ILE A 29 -6.991 -4.500 11.879 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.792 -2.417 9.990 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.525 -5.325 10.080 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.986 -3.979 9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.258 -5.579 9.963 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.867 -5.010 7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.934 -3.966 8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.496 -3.279 7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.523 -5.721 7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.182 -6.342 7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.906 -4.718 7.105 1.00 0.00 H new ATOM 400 N LEU A 30 -10.221 -2.171 10.416 1.00 0.00 N ATOM 401 CA LEU A 30 -11.561 -1.802 10.839 1.00 0.00 C ATOM 402 C LEU A 30 -12.550 -2.115 9.715 1.00 0.00 C ATOM 403 O LEU A 30 -12.468 -3.170 9.087 1.00 0.00 O ATOM 404 CB LEU A 30 -11.595 -0.343 11.299 1.00 0.00 C ATOM 405 CG LEU A 30 -10.527 0.065 12.316 1.00 0.00 C ATOM 406 CD1 LEU A 30 -10.224 1.562 12.223 1.00 0.00 C ATOM 407 CD2 LEU A 30 -10.931 -0.352 13.732 1.00 0.00 C ATOM 0 H LEU A 30 -9.920 -1.750 9.537 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.863 -2.392 11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.496 0.296 10.422 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.575 -0.142 11.731 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.605 -0.465 12.075 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.462 1.825 12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.862 1.798 11.223 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.132 2.130 12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.155 -0.050 14.435 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.871 0.131 13.999 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.055 -1.434 13.771 1.00 0.00 H new ATOM 419 N ASP A 31 -13.462 -1.180 9.494 1.00 0.00 N ATOM 420 CA ASP A 31 -14.466 -1.343 8.457 1.00 0.00 C ATOM 421 C ASP A 31 -14.120 -0.440 7.271 1.00 0.00 C ATOM 422 O ASP A 31 -14.519 -0.713 6.141 1.00 0.00 O ATOM 423 CB ASP A 31 -15.853 -0.945 8.965 1.00 0.00 C ATOM 424 CG ASP A 31 -16.046 0.552 9.212 1.00 0.00 C ATOM 425 OD1 ASP A 31 -15.171 1.133 9.891 1.00 0.00 O ATOM 426 OD2 ASP A 31 -17.064 1.083 8.717 1.00 0.00 O ATOM 0 H ASP A 31 -13.527 -0.306 10.016 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.478 -2.392 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.598 -1.278 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.050 -1.480 9.894 1.00 0.00 H new ATOM 431 N THR A 32 -13.380 0.618 7.571 1.00 0.00 N ATOM 432 CA THR A 32 -12.975 1.563 6.544 1.00 0.00 C ATOM 433 C THR A 32 -11.650 2.228 6.923 1.00 0.00 C ATOM 434 O THR A 32 -11.379 3.356 6.516 1.00 0.00 O ATOM 435 CB THR A 32 -14.119 2.559 6.341 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.277 3.171 7.618 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.460 1.867 6.090 1.00 0.00 C ATOM 0 H THR A 32 -13.051 0.841 8.510 1.00 0.00 H new ATOM 0 HA THR A 32 -12.790 1.060 5.595 1.00 0.00 H new ATOM 0 HB THR A 32 -13.886 3.213 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.999 3.833 7.577 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.237 2.619 5.953 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.389 1.250 5.194 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.710 1.238 6.944 1.00 0.00 H new ATOM 445 N SER A 33 -10.861 1.500 7.699 1.00 0.00 N ATOM 446 CA SER A 33 -9.571 2.005 8.138 1.00 0.00 C ATOM 447 C SER A 33 -8.683 0.845 8.595 1.00 0.00 C ATOM 448 O SER A 33 -9.094 0.032 9.420 1.00 0.00 O ATOM 449 CB SER A 33 -9.734 3.025 9.266 1.00 0.00 C ATOM 450 OG SER A 33 -10.931 2.813 10.009 1.00 0.00 O ATOM 0 H SER A 33 -11.090 0.565 8.035 1.00 0.00 H new ATOM 0 HA SER A 33 -9.096 2.508 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.876 2.965 9.936 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.741 4.031 8.847 1.00 0.00 H new ATOM 0 HG SER A 33 -11.080 3.570 10.613 1.00 0.00 H new ATOM 456 N LEU A 34 -7.481 0.807 8.037 1.00 0.00 N ATOM 457 CA LEU A 34 -6.532 -0.239 8.377 1.00 0.00 C ATOM 458 C LEU A 34 -5.108 0.291 8.193 1.00 0.00 C ATOM 459 O LEU A 34 -4.868 1.154 7.350 1.00 0.00 O ATOM 460 CB LEU A 34 -6.824 -1.509 7.576 1.00 0.00 C ATOM 461 CG LEU A 34 -6.522 -1.441 6.077 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.023 -1.590 5.813 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.346 -2.473 5.304 1.00 0.00 C ATOM 0 H LEU A 34 -7.143 1.484 7.352 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.635 -0.521 9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.246 -2.327 8.006 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.877 -1.761 7.703 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.817 -0.457 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.836 -1.538 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.484 -0.787 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.680 -2.551 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.112 -2.403 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.106 -3.474 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.408 -2.278 5.455 1.00 0.00 H new ATOM 475 N LYS A 35 -4.202 -0.249 8.995 1.00 0.00 N ATOM 476 CA LYS A 35 -2.809 0.159 8.931 1.00 0.00 C ATOM 477 C LYS A 35 -2.055 -0.767 7.974 1.00 0.00 C ATOM 478 O LYS A 35 -2.249 -1.981 7.998 1.00 0.00 O ATOM 479 CB LYS A 35 -2.203 0.218 10.334 1.00 0.00 C ATOM 480 CG LYS A 35 -0.943 1.086 10.351 1.00 0.00 C ATOM 481 CD LYS A 35 0.291 0.268 9.964 1.00 0.00 C ATOM 482 CE LYS A 35 1.000 -0.277 11.205 1.00 0.00 C ATOM 483 NZ LYS A 35 1.146 -1.747 11.115 1.00 0.00 N ATOM 0 H LYS A 35 -4.405 -0.965 9.692 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.726 1.169 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.936 0.620 11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.960 -0.789 10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.062 1.920 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.804 1.513 11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.004 -0.558 9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.979 0.890 9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.982 0.187 11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.433 -0.016 12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.853 -2.181 12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.548 -2.109 10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.140 -1.986 10.923 1.00 0.00 H new ATOM 497 N VAL A 36 -1.211 -0.157 7.154 1.00 0.00 N ATOM 498 CA VAL A 36 -0.427 -0.912 6.191 1.00 0.00 C ATOM 499 C VAL A 36 1.052 -0.838 6.575 1.00 0.00 C ATOM 500 O VAL A 36 1.547 0.222 6.954 1.00 0.00 O ATOM 501 CB VAL A 36 -0.704 -0.400 4.776 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.225 -1.069 3.760 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.171 -0.606 4.396 1.00 0.00 C ATOM 0 H VAL A 36 -1.053 0.851 7.137 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.714 -1.963 6.204 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.502 0.671 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.008 -0.688 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.262 -0.849 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.068 -2.147 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.341 -0.234 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.412 -1.668 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.808 -0.063 5.095 1.00 0.00 H new ATOM 513 N SER A 37 1.717 -1.979 6.462 1.00 0.00 N ATOM 514 CA SER A 37 3.130 -2.057 6.793 1.00 0.00 C ATOM 515 C SER A 37 3.862 -2.917 5.761 1.00 0.00 C ATOM 516 O SER A 37 3.271 -3.820 5.169 1.00 0.00 O ATOM 517 CB SER A 37 3.336 -2.623 8.199 1.00 0.00 C ATOM 518 OG SER A 37 3.108 -4.029 8.247 1.00 0.00 O ATOM 0 H SER A 37 1.304 -2.856 6.146 1.00 0.00 H new ATOM 0 HA SER A 37 3.542 -1.048 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.352 -2.409 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.662 -2.122 8.894 1.00 0.00 H new ATOM 0 HG SER A 37 2.382 -4.221 8.877 1.00 0.00 H new ATOM 524 N TRP A 38 5.137 -2.608 5.577 1.00 0.00 N ATOM 525 CA TRP A 38 5.955 -3.342 4.627 1.00 0.00 C ATOM 526 C TRP A 38 7.414 -3.235 5.078 1.00 0.00 C ATOM 527 O TRP A 38 7.703 -2.652 6.121 1.00 0.00 O ATOM 528 CB TRP A 38 5.731 -2.833 3.202 1.00 0.00 C ATOM 529 CG TRP A 38 6.006 -1.338 3.025 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.169 -0.742 2.727 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.046 -0.267 3.147 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.029 0.628 2.649 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.697 0.926 2.912 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.673 -0.306 3.446 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.056 2.170 2.952 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.046 0.945 3.482 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.688 2.156 3.248 1.00 0.00 C ATOM 0 H TRP A 38 5.624 -1.859 6.070 1.00 0.00 H new ATOM 0 HA TRP A 38 5.673 -4.395 4.607 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.373 -3.393 2.522 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.701 -3.040 2.911 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.099 -1.268 2.568 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.767 1.299 2.437 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.144 -1.229 3.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.588 3.091 2.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.990 0.971 3.707 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.134 3.082 3.294 1.00 0.00 H new ATOM 548 N GLN A 39 8.293 -3.808 4.269 1.00 0.00 N ATOM 549 CA GLN A 39 9.714 -3.784 4.571 1.00 0.00 C ATOM 550 C GLN A 39 10.510 -3.327 3.347 1.00 0.00 C ATOM 551 O GLN A 39 9.932 -3.026 2.304 1.00 0.00 O ATOM 552 CB GLN A 39 10.194 -5.153 5.057 1.00 0.00 C ATOM 553 CG GLN A 39 10.578 -5.106 6.537 1.00 0.00 C ATOM 554 CD GLN A 39 12.098 -5.070 6.709 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.854 -4.982 5.755 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.501 -5.142 7.974 1.00 0.00 N ATOM 0 H GLN A 39 8.049 -4.292 3.405 1.00 0.00 H new ATOM 0 HA GLN A 39 9.882 -3.069 5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.408 -5.893 4.905 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.052 -5.473 4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.135 -4.226 7.003 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.171 -5.978 7.050 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.814 -5.214 8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.497 -5.125 8.194 1.00 0.00 H new ATOM 565 N GLU A 40 11.824 -3.288 3.516 1.00 0.00 N ATOM 566 CA GLU A 40 12.704 -2.872 2.438 1.00 0.00 C ATOM 567 C GLU A 40 12.896 -4.015 1.438 1.00 0.00 C ATOM 568 O GLU A 40 13.021 -5.174 1.831 1.00 0.00 O ATOM 569 CB GLU A 40 14.050 -2.391 2.984 1.00 0.00 C ATOM 570 CG GLU A 40 14.212 -0.882 2.789 1.00 0.00 C ATOM 571 CD GLU A 40 15.383 -0.345 3.615 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.895 -1.125 4.447 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.739 0.833 3.396 1.00 0.00 O ATOM 0 H GLU A 40 12.300 -3.538 4.383 1.00 0.00 H new ATOM 0 HA GLU A 40 12.239 -2.034 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.125 -2.635 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.860 -2.916 2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.376 -0.664 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.293 -0.373 3.081 1.00 0.00 H new ATOM 580 N PRO A 41 12.913 -3.639 0.131 1.00 0.00 N ATOM 581 CA PRO A 41 13.087 -4.618 -0.927 1.00 0.00 C ATOM 582 C PRO A 41 14.541 -5.087 -1.008 1.00 0.00 C ATOM 583 O PRO A 41 15.456 -4.348 -0.646 1.00 0.00 O ATOM 584 CB PRO A 41 12.618 -3.918 -2.192 1.00 0.00 C ATOM 585 CG PRO A 41 12.637 -2.431 -1.877 1.00 0.00 C ATOM 586 CD PRO A 41 12.767 -2.276 -0.371 1.00 0.00 C ATOM 0 HA PRO A 41 12.513 -5.529 -0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.274 -4.148 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.616 -4.245 -2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.470 -1.944 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.724 -1.954 -2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.629 -1.663 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.889 -1.789 0.054 1.00 0.00 H new ATOM 594 N GLY A 42 14.710 -6.312 -1.484 1.00 0.00 N ATOM 595 CA GLY A 42 16.037 -6.887 -1.616 1.00 0.00 C ATOM 596 C GLY A 42 16.787 -6.271 -2.799 1.00 0.00 C ATOM 597 O GLY A 42 18.007 -6.122 -2.755 1.00 0.00 O ATOM 0 H GLY A 42 13.949 -6.922 -1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.601 -6.723 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.958 -7.965 -1.753 1.00 0.00 H new ATOM 601 N GLU A 43 16.025 -5.929 -3.828 1.00 0.00 N ATOM 602 CA GLU A 43 16.602 -5.332 -5.020 1.00 0.00 C ATOM 603 C GLU A 43 16.724 -3.816 -4.849 1.00 0.00 C ATOM 604 O GLU A 43 16.391 -3.057 -5.757 1.00 0.00 O ATOM 605 CB GLU A 43 15.777 -5.679 -6.261 1.00 0.00 C ATOM 606 CG GLU A 43 16.325 -6.930 -6.952 1.00 0.00 C ATOM 607 CD GLU A 43 17.810 -6.766 -7.284 1.00 0.00 C ATOM 608 OE1 GLU A 43 18.095 -6.062 -8.276 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.626 -7.349 -6.537 1.00 0.00 O ATOM 0 H GLU A 43 15.013 -6.054 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 43 17.601 -5.744 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.737 -5.842 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.790 -4.840 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.187 -7.797 -6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.763 -7.121 -7.866 1.00 0.00 H new ATOM 616 N LYS A 44 17.203 -3.422 -3.679 1.00 0.00 N ATOM 617 CA LYS A 44 17.374 -2.011 -3.377 1.00 0.00 C ATOM 618 C LYS A 44 17.940 -1.296 -4.606 1.00 0.00 C ATOM 619 O LYS A 44 17.637 -0.127 -4.843 1.00 0.00 O ATOM 620 CB LYS A 44 18.221 -1.831 -2.116 1.00 0.00 C ATOM 621 CG LYS A 44 17.450 -2.271 -0.870 1.00 0.00 C ATOM 622 CD LYS A 44 18.127 -1.759 0.403 1.00 0.00 C ATOM 623 CE LYS A 44 17.145 -1.736 1.576 1.00 0.00 C ATOM 624 NZ LYS A 44 17.648 -2.570 2.690 1.00 0.00 N ATOM 0 H LYS A 44 17.478 -4.055 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 44 16.412 -1.550 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.139 -2.412 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.514 -0.786 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.428 -1.895 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.389 -3.359 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.977 -2.396 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.519 -0.756 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.001 -0.711 1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.172 -2.103 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.176 -2.290 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.447 -3.571 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.675 -2.436 2.788 1.00 0.00 H new ATOM 638 N ASN A 45 18.752 -2.027 -5.354 1.00 0.00 N ATOM 639 CA ASN A 45 19.363 -1.478 -6.553 1.00 0.00 C ATOM 640 C ASN A 45 19.835 -0.050 -6.270 1.00 0.00 C ATOM 641 O ASN A 45 19.898 0.778 -7.178 1.00 0.00 O ATOM 642 CB ASN A 45 18.361 -1.425 -7.708 1.00 0.00 C ATOM 643 CG ASN A 45 18.687 -2.482 -8.765 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.738 -2.473 -9.386 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.731 -3.391 -8.934 1.00 0.00 N ATOM 0 H ASN A 45 19.002 -2.995 -5.153 1.00 0.00 H new ATOM 0 HA ASN A 45 20.198 -2.121 -6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.352 -1.585 -7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.376 -0.434 -8.162 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.853 -4.139 -9.617 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.875 -3.340 -8.381 1.00 0.00 H new ATOM 652 N GLY A 46 20.153 0.196 -5.008 1.00 0.00 N ATOM 653 CA GLY A 46 20.617 1.509 -4.595 1.00 0.00 C ATOM 654 C GLY A 46 20.017 1.902 -3.243 1.00 0.00 C ATOM 655 O GLY A 46 20.094 1.141 -2.280 1.00 0.00 O ATOM 0 H GLY A 46 20.098 -0.492 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.705 1.510 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.343 2.249 -5.347 1.00 0.00 H new ATOM 659 N ILE A 47 19.432 3.091 -3.215 1.00 0.00 N ATOM 660 CA ILE A 47 18.819 3.595 -1.998 1.00 0.00 C ATOM 661 C ILE A 47 17.426 4.139 -2.321 1.00 0.00 C ATOM 662 O ILE A 47 17.228 4.773 -3.356 1.00 0.00 O ATOM 663 CB ILE A 47 19.735 4.614 -1.318 1.00 0.00 C ATOM 664 CG1 ILE A 47 20.911 3.920 -0.628 1.00 0.00 C ATOM 665 CG2 ILE A 47 18.948 5.502 -0.353 1.00 0.00 C ATOM 666 CD1 ILE A 47 20.422 2.819 0.315 1.00 0.00 C ATOM 0 H ILE A 47 19.370 3.720 -4.016 1.00 0.00 H new ATOM 0 HA ILE A 47 18.687 2.789 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 47 20.151 5.265 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.576 3.492 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.492 4.652 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.624 6.217 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.175 6.040 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.484 4.883 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.278 2.342 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.777 3.254 1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.862 2.076 -0.253 1.00 0.00 H new ATOM 678 N LEU A 48 16.497 3.872 -1.415 1.00 0.00 N ATOM 679 CA LEU A 48 15.128 4.327 -1.590 1.00 0.00 C ATOM 680 C LEU A 48 14.984 5.734 -1.007 1.00 0.00 C ATOM 681 O LEU A 48 15.563 6.040 0.035 1.00 0.00 O ATOM 682 CB LEU A 48 14.146 3.313 -1.000 1.00 0.00 C ATOM 683 CG LEU A 48 14.503 1.839 -1.200 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.975 1.579 -2.632 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.532 1.379 -0.165 1.00 0.00 C ATOM 0 H LEU A 48 16.665 3.346 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 48 14.882 4.394 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.057 3.503 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.164 3.491 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 48 13.602 1.245 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.223 0.524 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.181 1.844 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.858 2.184 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.768 0.328 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.439 1.975 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.122 1.506 0.837 1.00 0.00 H new ATOM 697 N THR A 49 14.210 6.553 -1.703 1.00 0.00 N ATOM 698 CA THR A 49 13.983 7.921 -1.267 1.00 0.00 C ATOM 699 C THR A 49 12.543 8.093 -0.781 1.00 0.00 C ATOM 700 O THR A 49 12.142 9.190 -0.394 1.00 0.00 O ATOM 701 CB THR A 49 14.350 8.853 -2.423 1.00 0.00 C ATOM 702 OG1 THR A 49 13.530 8.409 -3.501 1.00 0.00 O ATOM 703 CG2 THR A 49 15.778 8.629 -2.925 1.00 0.00 C ATOM 0 H THR A 49 13.732 6.296 -2.566 1.00 0.00 H new ATOM 0 HA THR A 49 14.613 8.174 -0.414 1.00 0.00 H new ATOM 0 HB THR A 49 14.235 9.889 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.703 8.961 -4.292 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.987 9.316 -3.745 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.482 8.809 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.884 7.602 -3.275 1.00 0.00 H new ATOM 711 N GLY A 50 11.804 6.994 -0.817 1.00 0.00 N ATOM 712 CA GLY A 50 10.417 7.010 -0.384 1.00 0.00 C ATOM 713 C GLY A 50 9.685 5.748 -0.847 1.00 0.00 C ATOM 714 O GLY A 50 10.281 4.873 -1.472 1.00 0.00 O ATOM 0 H GLY A 50 12.140 6.086 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.372 7.083 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.917 7.892 -0.784 1.00 0.00 H new ATOM 718 N TYR A 51 8.401 5.695 -0.520 1.00 0.00 N ATOM 719 CA TYR A 51 7.581 4.556 -0.894 1.00 0.00 C ATOM 720 C TYR A 51 6.180 5.003 -1.316 1.00 0.00 C ATOM 721 O TYR A 51 5.523 5.756 -0.599 1.00 0.00 O ATOM 722 CB TYR A 51 7.469 3.687 0.360 1.00 0.00 C ATOM 723 CG TYR A 51 8.779 3.007 0.765 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.186 1.855 0.123 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.554 3.546 1.772 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.419 1.216 0.504 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.786 2.907 2.153 1.00 0.00 C ATOM 728 CZ TYR A 51 11.158 1.773 1.500 1.00 0.00 C ATOM 729 OH TYR A 51 12.322 1.169 1.860 1.00 0.00 O ATOM 0 H TYR A 51 7.910 6.422 -0.001 1.00 0.00 H new ATOM 0 HA TYR A 51 8.026 4.023 -1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.121 4.305 1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.711 2.922 0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.580 1.433 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.236 4.448 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.749 0.314 0.010 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.401 3.318 2.940 1.00 0.00 H new ATOM 0 HH TYR A 51 12.744 1.678 2.583 1.00 0.00 H new ATOM 739 N ARG A 52 5.765 4.522 -2.479 1.00 0.00 N ATOM 740 CA ARG A 52 4.454 4.863 -3.005 1.00 0.00 C ATOM 741 C ARG A 52 3.427 3.806 -2.597 1.00 0.00 C ATOM 742 O ARG A 52 3.610 2.620 -2.869 1.00 0.00 O ATOM 743 CB ARG A 52 4.485 4.974 -4.531 1.00 0.00 C ATOM 744 CG ARG A 52 3.413 5.944 -5.032 1.00 0.00 C ATOM 745 CD ARG A 52 3.084 5.685 -6.503 1.00 0.00 C ATOM 746 NE ARG A 52 4.299 5.851 -7.331 1.00 0.00 N ATOM 747 CZ ARG A 52 4.315 5.762 -8.668 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.182 5.507 -9.336 1.00 0.00 N ATOM 749 NH2 ARG A 52 5.465 5.927 -9.337 1.00 0.00 N ATOM 0 H ARG A 52 6.314 3.899 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 52 4.170 5.829 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.469 5.315 -4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.327 3.991 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.511 5.837 -4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.759 6.970 -4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.687 4.677 -6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.309 6.375 -6.838 1.00 0.00 H new ATOM 0 HE ARG A 52 5.180 6.045 -6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.307 5.381 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.194 5.439 -10.354 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.328 6.120 -8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.477 5.859 -10.355 1.00 0.00 H new ATOM 763 N ILE A 53 2.368 4.273 -1.952 1.00 0.00 N ATOM 764 CA ILE A 53 1.311 3.382 -1.504 1.00 0.00 C ATOM 765 C ILE A 53 0.020 3.711 -2.255 1.00 0.00 C ATOM 766 O ILE A 53 -0.227 4.867 -2.596 1.00 0.00 O ATOM 767 CB ILE A 53 1.170 3.441 0.019 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.237 2.340 0.526 1.00 0.00 C ATOM 769 CG2 ILE A 53 0.717 4.830 0.473 1.00 0.00 C ATOM 770 CD1 ILE A 53 -0.019 2.486 2.027 1.00 0.00 C ATOM 0 H ILE A 53 2.219 5.257 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 53 1.560 2.347 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 53 2.150 3.261 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.709 2.383 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.676 1.364 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.624 4.846 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.452 5.572 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.248 5.063 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.685 1.691 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.926 2.418 2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.481 3.453 2.225 1.00 0.00 H new ATOM 782 N SER A 54 -0.771 2.675 -2.491 1.00 0.00 N ATOM 783 CA SER A 54 -2.031 2.840 -3.196 1.00 0.00 C ATOM 784 C SER A 54 -3.013 1.744 -2.775 1.00 0.00 C ATOM 785 O SER A 54 -2.754 0.560 -2.983 1.00 0.00 O ATOM 786 CB SER A 54 -1.822 2.812 -4.711 1.00 0.00 C ATOM 787 OG SER A 54 -0.686 2.035 -5.079 1.00 0.00 O ATOM 0 H SER A 54 -0.564 1.718 -2.206 1.00 0.00 H new ATOM 0 HA SER A 54 -2.446 3.813 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.711 2.405 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.699 3.831 -5.079 1.00 0.00 H new ATOM 0 HG SER A 54 -0.299 2.392 -5.906 1.00 0.00 H new ATOM 793 N TRP A 55 -4.120 2.179 -2.191 1.00 0.00 N ATOM 794 CA TRP A 55 -5.142 1.250 -1.739 1.00 0.00 C ATOM 795 C TRP A 55 -6.347 1.383 -2.672 1.00 0.00 C ATOM 796 O TRP A 55 -6.933 2.458 -2.785 1.00 0.00 O ATOM 797 CB TRP A 55 -5.493 1.494 -0.270 1.00 0.00 C ATOM 798 CG TRP A 55 -6.039 2.895 0.015 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.224 3.408 -0.344 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.368 3.948 0.739 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.365 4.709 0.093 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.201 5.048 0.773 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.100 3.970 1.345 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -5.857 6.251 1.401 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.771 5.180 1.968 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.597 6.296 2.011 1.00 0.00 C ATOM 0 H TRP A 55 -4.332 3.162 -2.020 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.778 0.223 -1.784 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.232 0.757 0.044 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.603 1.332 0.337 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.974 2.870 -0.905 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.175 5.311 -0.056 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.433 3.121 1.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.527 7.098 1.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.807 5.251 2.449 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.269 7.194 2.513 1.00 0.00 H new ATOM 817 N GLU A 56 -6.681 0.275 -3.317 1.00 0.00 N ATOM 818 CA GLU A 56 -7.805 0.254 -4.236 1.00 0.00 C ATOM 819 C GLU A 56 -8.607 -1.038 -4.065 1.00 0.00 C ATOM 820 O GLU A 56 -8.036 -2.101 -3.830 1.00 0.00 O ATOM 821 CB GLU A 56 -7.334 0.418 -5.683 1.00 0.00 C ATOM 822 CG GLU A 56 -6.673 -0.863 -6.193 1.00 0.00 C ATOM 823 CD GLU A 56 -5.978 -0.625 -7.535 1.00 0.00 C ATOM 824 OE1 GLU A 56 -4.896 -0.001 -7.511 1.00 0.00 O ATOM 825 OE2 GLU A 56 -6.545 -1.072 -8.555 1.00 0.00 O ATOM 0 H GLU A 56 -6.192 -0.615 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.455 1.097 -4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.182 0.672 -6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.628 1.246 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.947 -1.218 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.424 -1.645 -6.302 1.00 0.00 H new ATOM 832 N GLU A 57 -9.920 -0.903 -4.189 1.00 0.00 N ATOM 833 CA GLU A 57 -10.806 -2.046 -4.050 1.00 0.00 C ATOM 834 C GLU A 57 -10.293 -3.220 -4.887 1.00 0.00 C ATOM 835 O GLU A 57 -9.287 -3.097 -5.583 1.00 0.00 O ATOM 836 CB GLU A 57 -12.239 -1.679 -4.440 1.00 0.00 C ATOM 837 CG GLU A 57 -13.049 -1.251 -3.215 1.00 0.00 C ATOM 838 CD GLU A 57 -14.121 -2.290 -2.876 1.00 0.00 C ATOM 839 OE1 GLU A 57 -13.745 -3.476 -2.761 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.292 -1.873 -2.741 1.00 0.00 O ATOM 0 H GLU A 57 -10.391 -0.019 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.816 -2.349 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.225 -0.871 -5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.719 -2.533 -4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.383 -1.119 -2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.520 -0.286 -3.405 1.00 0.00 H new ATOM 847 N TYR A 58 -11.009 -4.330 -4.791 1.00 0.00 N ATOM 848 CA TYR A 58 -10.639 -5.525 -5.530 1.00 0.00 C ATOM 849 C TYR A 58 -10.551 -5.237 -7.030 1.00 0.00 C ATOM 850 O TYR A 58 -9.489 -5.380 -7.633 1.00 0.00 O ATOM 851 CB TYR A 58 -11.759 -6.538 -5.282 1.00 0.00 C ATOM 852 CG TYR A 58 -11.658 -7.799 -6.143 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.636 -8.701 -5.929 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.591 -8.035 -7.133 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.542 -9.888 -6.739 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.496 -9.222 -7.943 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.477 -10.090 -7.706 1.00 0.00 C ATOM 858 OH TYR A 58 -11.387 -11.211 -8.470 1.00 0.00 O ATOM 0 H TYR A 58 -11.844 -4.427 -4.213 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.665 -5.891 -5.205 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.748 -6.826 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.719 -6.057 -5.471 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.907 -8.517 -5.154 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.392 -7.330 -7.300 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.747 -10.602 -6.582 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.218 -9.418 -8.722 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.121 -11.225 -9.119 1.00 0.00 H new ATOM 868 N ASN A 59 -11.683 -4.835 -7.590 1.00 0.00 N ATOM 869 CA ASN A 59 -11.748 -4.525 -9.008 1.00 0.00 C ATOM 870 C ASN A 59 -12.378 -3.143 -9.196 1.00 0.00 C ATOM 871 O ASN A 59 -13.465 -3.024 -9.760 1.00 0.00 O ATOM 872 CB ASN A 59 -12.610 -5.543 -9.756 1.00 0.00 C ATOM 873 CG ASN A 59 -12.284 -5.545 -11.251 1.00 0.00 C ATOM 874 OD1 ASN A 59 -12.100 -4.512 -11.874 1.00 0.00 O ATOM 875 ND2 ASN A 59 -12.223 -6.759 -11.790 1.00 0.00 N ATOM 0 H ASN A 59 -12.562 -4.717 -7.087 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.733 -4.551 -9.405 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.445 -6.538 -9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.665 -5.309 -9.610 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.012 -6.867 -12.782 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.388 -7.583 -11.211 1.00 0.00 H new ATOM 882 N ARG A 60 -11.670 -2.134 -8.712 1.00 0.00 N ATOM 883 CA ARG A 60 -12.146 -0.765 -8.819 1.00 0.00 C ATOM 884 C ARG A 60 -10.968 0.210 -8.800 1.00 0.00 C ATOM 885 O ARG A 60 -10.329 0.398 -7.766 1.00 0.00 O ATOM 886 CB ARG A 60 -13.101 -0.423 -7.673 1.00 0.00 C ATOM 887 CG ARG A 60 -13.853 -1.668 -7.196 1.00 0.00 C ATOM 888 CD ARG A 60 -14.826 -1.321 -6.068 1.00 0.00 C ATOM 889 NE ARG A 60 -16.216 -1.596 -6.496 1.00 0.00 N ATOM 890 CZ ARG A 60 -16.709 -2.825 -6.704 1.00 0.00 C ATOM 891 NH1 ARG A 60 -15.928 -3.899 -6.525 1.00 0.00 N ATOM 892 NH2 ARG A 60 -17.982 -2.979 -7.092 1.00 0.00 N ATOM 0 H ARG A 60 -10.769 -2.237 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.682 -0.673 -9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.540 0.008 -6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.814 0.333 -8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.399 -2.109 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.141 -2.417 -6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.588 -1.905 -5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.721 -0.271 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.838 -0.801 -6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.959 -3.781 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.303 -4.834 -6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.576 -2.161 -7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.357 -3.914 -7.250 1.00 0.00 H new ATOM 906 N THR A 61 -10.716 0.806 -9.956 1.00 0.00 N ATOM 907 CA THR A 61 -9.626 1.758 -10.085 1.00 0.00 C ATOM 908 C THR A 61 -10.093 3.161 -9.690 1.00 0.00 C ATOM 909 O THR A 61 -9.297 4.099 -9.662 1.00 0.00 O ATOM 910 CB THR A 61 -9.094 1.676 -11.518 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.996 0.277 -11.772 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.654 2.178 -11.637 1.00 0.00 C ATOM 0 H THR A 61 -11.248 0.648 -10.812 1.00 0.00 H new ATOM 0 HA THR A 61 -8.809 1.518 -9.405 1.00 0.00 H new ATOM 0 HB THR A 61 -9.737 2.258 -12.178 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.660 0.132 -12.681 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.325 2.098 -12.673 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.604 3.220 -11.320 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.005 1.574 -11.003 1.00 0.00 H new ATOM 920 N ASN A 62 -11.380 3.260 -9.394 1.00 0.00 N ATOM 921 CA ASN A 62 -11.963 4.532 -9.002 1.00 0.00 C ATOM 922 C ASN A 62 -11.538 4.862 -7.570 1.00 0.00 C ATOM 923 O ASN A 62 -11.269 6.019 -7.249 1.00 0.00 O ATOM 924 CB ASN A 62 -13.491 4.473 -9.040 1.00 0.00 C ATOM 925 CG ASN A 62 -14.002 4.423 -10.481 1.00 0.00 C ATOM 926 OD1 ASN A 62 -13.686 5.261 -11.309 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.807 3.395 -10.734 1.00 0.00 N ATOM 0 H ASN A 62 -12.036 2.480 -9.418 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.615 5.293 -9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.838 3.594 -8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.905 5.345 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.200 3.273 -11.667 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.031 2.729 -9.995 1.00 0.00 H new ATOM 934 N THR A 63 -11.490 3.825 -6.747 1.00 0.00 N ATOM 935 CA THR A 63 -11.102 3.990 -5.356 1.00 0.00 C ATOM 936 C THR A 63 -9.587 3.844 -5.204 1.00 0.00 C ATOM 937 O THR A 63 -9.111 3.234 -4.247 1.00 0.00 O ATOM 938 CB THR A 63 -11.897 2.984 -4.521 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.530 1.718 -5.062 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.403 3.075 -4.772 1.00 0.00 C ATOM 0 H THR A 63 -11.713 2.867 -7.017 1.00 0.00 H new ATOM 0 HA THR A 63 -11.338 4.991 -4.996 1.00 0.00 H new ATOM 0 HB THR A 63 -11.695 3.151 -3.463 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.326 1.151 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.920 2.340 -4.155 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.755 4.075 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.609 2.875 -5.823 1.00 0.00 H new ATOM 948 N ARG A 64 -8.870 4.413 -6.162 1.00 0.00 N ATOM 949 CA ARG A 64 -7.419 4.354 -6.146 1.00 0.00 C ATOM 950 C ARG A 64 -6.845 5.577 -5.429 1.00 0.00 C ATOM 951 O ARG A 64 -7.378 6.679 -5.550 1.00 0.00 O ATOM 952 CB ARG A 64 -6.855 4.294 -7.567 1.00 0.00 C ATOM 953 CG ARG A 64 -5.545 3.505 -7.605 1.00 0.00 C ATOM 954 CD ARG A 64 -4.338 4.445 -7.624 1.00 0.00 C ATOM 955 NE ARG A 64 -3.084 3.659 -7.657 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.570 3.111 -8.766 1.00 0.00 C ATOM 957 NH1 ARG A 64 -3.199 3.259 -9.940 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.427 2.414 -8.702 1.00 0.00 N ATOM 0 H ARG A 64 -9.268 4.917 -6.955 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.130 3.448 -5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.583 3.829 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.685 5.305 -7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.486 2.849 -6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.527 2.866 -8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.390 5.099 -8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.352 5.086 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.580 3.526 -6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.069 3.789 -9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.808 2.842 -10.784 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.948 2.301 -7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.036 1.997 -9.547 1.00 0.00 H new ATOM 972 N VAL A 65 -5.766 5.342 -4.697 1.00 0.00 N ATOM 973 CA VAL A 65 -5.114 6.411 -3.959 1.00 0.00 C ATOM 974 C VAL A 65 -3.630 6.449 -4.329 1.00 0.00 C ATOM 975 O VAL A 65 -3.089 5.469 -4.839 1.00 0.00 O ATOM 976 CB VAL A 65 -5.352 6.232 -2.458 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.628 7.315 -1.656 1.00 0.00 C ATOM 978 CG2 VAL A 65 -6.847 6.218 -2.138 1.00 0.00 C ATOM 0 H VAL A 65 -5.327 4.427 -4.599 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.541 7.377 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.939 5.267 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.813 7.165 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.557 7.256 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.997 8.296 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.988 6.090 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.295 7.160 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.325 5.394 -2.668 1.00 0.00 H new ATOM 988 N THR A 66 -3.014 7.591 -4.058 1.00 0.00 N ATOM 989 CA THR A 66 -1.603 7.769 -4.356 1.00 0.00 C ATOM 990 C THR A 66 -0.931 8.612 -3.271 1.00 0.00 C ATOM 991 O THR A 66 -1.029 9.838 -3.283 1.00 0.00 O ATOM 992 CB THR A 66 -1.489 8.377 -5.756 1.00 0.00 C ATOM 993 OG1 THR A 66 -1.958 7.346 -6.621 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.036 8.591 -6.184 1.00 0.00 C ATOM 0 H THR A 66 -3.466 8.402 -3.635 1.00 0.00 H new ATOM 0 HA THR A 66 -1.075 6.815 -4.356 1.00 0.00 H new ATOM 0 HB THR A 66 -2.019 9.329 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.920 7.656 -7.550 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.011 9.024 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.454 9.267 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.486 7.634 -6.190 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.264 7.921 -2.358 1.00 0.00 N ATOM 1003 CA HIS A 67 0.424 8.591 -1.268 1.00 0.00 C ATOM 1004 C HIS A 67 1.936 8.443 -1.447 1.00 0.00 C ATOM 1005 O HIS A 67 2.395 7.559 -2.169 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.067 8.072 0.085 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.337 8.729 0.572 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.385 8.224 1.284 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.631 10.060 0.333 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.271 9.195 1.471 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.805 10.334 0.883 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.186 6.904 -2.351 1.00 0.00 H new ATOM 0 HA HIS A 67 0.194 9.656 -1.288 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.231 6.997 0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.717 8.225 0.827 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.473 7.264 1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.009 10.757 -0.210 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.207 9.099 2.001 1.00 0.00 H new ATOM 1019 N TYR A 68 2.668 9.321 -0.777 1.00 0.00 N ATOM 1020 CA TYR A 68 4.119 9.299 -0.853 1.00 0.00 C ATOM 1021 C TYR A 68 4.742 9.387 0.541 1.00 0.00 C ATOM 1022 O TYR A 68 4.481 10.333 1.283 1.00 0.00 O ATOM 1023 CB TYR A 68 4.518 10.538 -1.657 1.00 0.00 C ATOM 1024 CG TYR A 68 4.257 10.416 -3.159 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.823 9.380 -3.876 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.457 11.341 -3.798 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.578 9.265 -5.290 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.212 11.226 -5.213 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.784 10.193 -5.889 1.00 0.00 C ATOM 1030 OH TYR A 68 3.553 10.085 -7.224 1.00 0.00 O ATOM 0 H TYR A 68 2.283 10.052 -0.179 1.00 0.00 H new ATOM 0 HA TYR A 68 4.466 8.373 -1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.972 11.399 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.578 10.736 -1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.449 8.656 -3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.015 12.151 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.015 8.460 -5.862 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.588 11.944 -5.726 1.00 0.00 H new ATOM 0 HH TYR A 68 2.968 10.816 -7.515 1.00 0.00 H new ATOM 1040 N LEU A 69 5.555 8.389 0.856 1.00 0.00 N ATOM 1041 CA LEU A 69 6.217 8.342 2.148 1.00 0.00 C ATOM 1042 C LEU A 69 7.733 8.382 1.941 1.00 0.00 C ATOM 1043 O LEU A 69 8.221 8.100 0.847 1.00 0.00 O ATOM 1044 CB LEU A 69 5.738 7.132 2.952 1.00 0.00 C ATOM 1045 CG LEU A 69 4.251 6.794 2.834 1.00 0.00 C ATOM 1046 CD1 LEU A 69 4.006 5.304 3.079 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.413 7.673 3.764 1.00 0.00 C ATOM 0 H LEU A 69 5.770 7.607 0.238 1.00 0.00 H new ATOM 0 HA LEU A 69 5.953 9.216 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.314 6.261 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.969 7.305 4.003 1.00 0.00 H new ATOM 0 HG LEU A 69 3.932 7.009 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.941 5.091 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.557 4.719 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.346 5.039 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.360 7.412 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.726 7.513 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.555 8.721 3.500 1.00 0.00 H new ATOM 1059 N PRO A 70 8.453 8.742 3.036 1.00 0.00 N ATOM 1060 CA PRO A 70 9.903 8.822 2.985 1.00 0.00 C ATOM 1061 C PRO A 70 10.530 7.426 2.989 1.00 0.00 C ATOM 1062 O PRO A 70 9.828 6.427 3.136 1.00 0.00 O ATOM 1063 CB PRO A 70 10.294 9.653 4.197 1.00 0.00 C ATOM 1064 CG PRO A 70 9.097 9.615 5.132 1.00 0.00 C ATOM 1065 CD PRO A 70 7.909 9.082 4.348 1.00 0.00 C ATOM 0 HA PRO A 70 10.267 9.285 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.181 9.244 4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.532 10.677 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.304 8.977 5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.883 10.611 5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.473 8.209 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.120 9.830 4.268 1.00 0.00 H new ATOM 1073 N ASN A 71 11.845 7.402 2.827 1.00 0.00 N ATOM 1074 CA ASN A 71 12.574 6.146 2.810 1.00 0.00 C ATOM 1075 C ASN A 71 12.873 5.715 4.247 1.00 0.00 C ATOM 1076 O ASN A 71 13.748 4.884 4.481 1.00 0.00 O ATOM 1077 CB ASN A 71 13.907 6.292 2.074 1.00 0.00 C ATOM 1078 CG ASN A 71 14.906 7.100 2.904 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.590 8.134 3.470 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.126 6.573 2.946 1.00 0.00 N ATOM 0 H ASN A 71 12.424 8.233 2.706 1.00 0.00 H new ATOM 0 HA ASN A 71 11.958 5.407 2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.319 5.306 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.745 6.783 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.864 7.037 3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.324 5.704 2.449 1.00 0.00 H new ATOM 1087 N VAL A 72 12.128 6.301 5.173 1.00 0.00 N ATOM 1088 CA VAL A 72 12.302 5.988 6.582 1.00 0.00 C ATOM 1089 C VAL A 72 11.047 5.283 7.102 1.00 0.00 C ATOM 1090 O VAL A 72 11.092 4.605 8.127 1.00 0.00 O ATOM 1091 CB VAL A 72 12.639 7.260 7.362 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.764 8.040 6.679 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.398 8.136 7.547 1.00 0.00 C ATOM 0 H VAL A 72 11.403 6.991 4.976 1.00 0.00 H new ATOM 0 HA VAL A 72 13.140 5.305 6.721 1.00 0.00 H new ATOM 0 HB VAL A 72 12.989 6.963 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.984 8.940 7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.657 7.417 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.454 8.320 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.666 9.033 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.004 8.419 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.639 7.580 8.097 1.00 0.00 H new ATOM 1103 N THR A 73 9.958 5.467 6.371 1.00 0.00 N ATOM 1104 CA THR A 73 8.694 4.856 6.745 1.00 0.00 C ATOM 1105 C THR A 73 8.360 3.699 5.802 1.00 0.00 C ATOM 1106 O THR A 73 8.679 3.749 4.615 1.00 0.00 O ATOM 1107 CB THR A 73 7.626 5.952 6.763 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.885 6.668 7.968 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.216 5.393 6.958 1.00 0.00 C ATOM 0 H THR A 73 9.925 6.031 5.521 1.00 0.00 H new ATOM 0 HA THR A 73 8.747 4.417 7.741 1.00 0.00 H new ATOM 0 HB THR A 73 7.667 6.514 5.830 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.239 7.399 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.497 6.212 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.980 4.708 6.143 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.164 4.859 7.907 1.00 0.00 H new ATOM 1117 N LEU A 74 7.722 2.683 6.366 1.00 0.00 N ATOM 1118 CA LEU A 74 7.342 1.515 5.590 1.00 0.00 C ATOM 1119 C LEU A 74 5.926 1.087 5.981 1.00 0.00 C ATOM 1120 O LEU A 74 5.480 0.000 5.618 1.00 0.00 O ATOM 1121 CB LEU A 74 8.384 0.406 5.745 1.00 0.00 C ATOM 1122 CG LEU A 74 9.840 0.865 5.854 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.615 -0.005 6.846 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.508 0.900 4.478 1.00 0.00 C ATOM 0 H LEU A 74 7.459 2.645 7.351 1.00 0.00 H new ATOM 0 HA LEU A 74 7.321 1.755 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.139 -0.174 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.299 -0.267 4.892 1.00 0.00 H new ATOM 0 HG LEU A 74 9.850 1.883 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.647 0.342 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.152 0.065 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.599 -1.042 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.542 1.229 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.488 -0.097 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.971 1.593 3.830 1.00 0.00 H new ATOM 1136 N GLU A 75 5.259 1.965 6.716 1.00 0.00 N ATOM 1137 CA GLU A 75 3.903 1.691 7.161 1.00 0.00 C ATOM 1138 C GLU A 75 3.067 2.973 7.135 1.00 0.00 C ATOM 1139 O GLU A 75 3.600 4.069 7.303 1.00 0.00 O ATOM 1140 CB GLU A 75 3.899 1.062 8.555 1.00 0.00 C ATOM 1141 CG GLU A 75 4.313 2.082 9.618 1.00 0.00 C ATOM 1142 CD GLU A 75 5.643 1.690 10.266 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.596 0.855 11.195 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.675 2.233 9.818 1.00 0.00 O ATOM 0 H GLU A 75 5.632 2.866 7.014 1.00 0.00 H new ATOM 0 HA GLU A 75 3.454 0.973 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.904 0.678 8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.581 0.212 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.402 3.069 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.539 2.151 10.382 1.00 0.00 H new ATOM 1151 N TYR A 76 1.772 2.792 6.924 1.00 0.00 N ATOM 1152 CA TYR A 76 0.857 3.921 6.874 1.00 0.00 C ATOM 1153 C TYR A 76 -0.575 3.479 7.182 1.00 0.00 C ATOM 1154 O TYR A 76 -0.933 2.323 6.964 1.00 0.00 O ATOM 1155 CB TYR A 76 0.918 4.449 5.440 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.028 5.621 5.168 1.00 0.00 C ATOM 1157 CD1 TYR A 76 0.397 6.916 5.384 1.00 0.00 C ATOM 1158 CD2 TYR A 76 -1.307 5.382 4.707 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -0.494 8.018 5.129 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -2.198 6.484 4.451 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.747 7.748 4.675 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.588 8.789 4.433 1.00 0.00 O ATOM 0 H TYR A 76 1.334 1.881 6.786 1.00 0.00 H new ATOM 0 HA TYR A 76 1.137 4.675 7.609 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.939 4.761 5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.680 3.636 4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.398 7.103 5.744 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.640 4.368 4.538 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.174 9.036 5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.201 6.311 4.090 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.448 8.447 4.112 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.356 4.424 7.685 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.741 4.148 8.026 1.00 0.00 C ATOM 1174 C ARG A 77 -3.656 4.490 6.848 1.00 0.00 C ATOM 1175 O ARG A 77 -3.643 5.617 6.354 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.178 4.952 9.252 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.600 4.578 9.674 1.00 0.00 C ATOM 1178 CD ARG A 77 -4.649 4.192 11.154 1.00 0.00 C ATOM 1179 NE ARG A 77 -3.919 5.194 11.963 1.00 0.00 N ATOM 1180 CZ ARG A 77 -3.528 4.997 13.229 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -3.794 3.834 13.839 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -2.871 5.963 13.885 1.00 0.00 N ATOM 0 H ARG A 77 -1.056 5.382 7.865 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.820 3.085 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.490 4.767 10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.129 6.018 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.270 5.418 9.491 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.957 3.747 9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.685 4.128 11.487 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.207 3.206 11.296 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.700 6.091 11.529 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.294 3.099 13.339 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.496 3.684 14.803 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.669 6.848 13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.573 5.813 14.849 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.428 3.497 6.432 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.347 3.679 5.321 1.00 0.00 C ATOM 1198 C VAL A 78 -6.742 3.992 5.865 1.00 0.00 C ATOM 1199 O VAL A 78 -7.166 3.416 6.865 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.322 2.446 4.414 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.306 2.600 3.253 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -3.907 2.172 3.901 1.00 0.00 C ATOM 0 H VAL A 78 -4.436 2.564 6.844 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.040 4.525 4.706 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.636 1.587 5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.269 1.711 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.315 2.725 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.036 3.475 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.917 1.291 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.553 3.032 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.241 1.998 4.746 1.00 0.00 H new ATOM 1212 N THR A 79 -7.417 4.905 5.182 1.00 0.00 N ATOM 1213 CA THR A 79 -8.755 5.302 5.585 1.00 0.00 C ATOM 1214 C THR A 79 -9.569 5.745 4.367 1.00 0.00 C ATOM 1215 O THR A 79 -9.026 6.335 3.434 1.00 0.00 O ATOM 1216 CB THR A 79 -8.625 6.387 6.656 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.952 7.453 5.991 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.668 5.987 7.781 1.00 0.00 C ATOM 0 H THR A 79 -7.062 5.381 4.352 1.00 0.00 H new ATOM 0 HA THR A 79 -9.303 4.464 6.016 1.00 0.00 H new ATOM 0 HB THR A 79 -9.608 6.603 7.075 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.828 8.200 6.613 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.612 6.792 8.514 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.033 5.081 8.264 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.676 5.803 7.367 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.858 5.445 4.416 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.752 5.805 3.328 1.00 0.00 C ATOM 1228 C GLY A 80 -12.152 4.571 2.516 1.00 0.00 C ATOM 1229 O GLY A 80 -12.561 4.689 1.362 1.00 0.00 O ATOM 0 H GLY A 80 -11.305 4.957 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.644 6.285 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.265 6.531 2.677 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.019 3.416 3.151 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.362 2.162 2.502 1.00 0.00 C ATOM 1235 C LEU A 81 -13.858 1.893 2.677 1.00 0.00 C ATOM 1236 O LEU A 81 -14.643 2.824 2.847 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.469 1.031 3.017 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.022 1.411 3.337 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.407 0.431 4.338 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.189 1.523 2.058 1.00 0.00 C ATOM 0 H LEU A 81 -11.679 3.322 4.108 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.173 2.224 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.923 0.618 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.458 0.235 2.272 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.023 2.394 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.378 0.724 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.985 0.445 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.419 -0.574 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.165 1.794 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.192 0.566 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.617 2.289 1.411 1.00 0.00 H new ATOM 1252 N THR A 82 -14.207 0.616 2.630 1.00 0.00 N ATOM 1253 CA THR A 82 -15.594 0.213 2.782 1.00 0.00 C ATOM 1254 C THR A 82 -15.706 -0.959 3.759 1.00 0.00 C ATOM 1255 O THR A 82 -14.817 -1.807 3.820 1.00 0.00 O ATOM 1256 CB THR A 82 -16.150 -0.100 1.391 1.00 0.00 C ATOM 1257 OG1 THR A 82 -16.079 1.144 0.700 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.645 -0.426 1.418 1.00 0.00 C ATOM 0 H THR A 82 -13.553 -0.153 2.489 1.00 0.00 H new ATOM 0 HA THR A 82 -16.193 1.014 3.215 1.00 0.00 H new ATOM 0 HB THR A 82 -15.603 -0.939 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.173 1.272 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.989 -0.640 0.406 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.816 -1.296 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.196 0.426 1.816 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.805 -0.968 4.499 1.00 0.00 N ATOM 1267 CA ALA A 83 -17.044 -2.022 5.470 1.00 0.00 C ATOM 1268 C ALA A 83 -17.220 -3.354 4.739 1.00 0.00 C ATOM 1269 O ALA A 83 -17.830 -3.405 3.672 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.260 -1.662 6.326 1.00 0.00 C ATOM 0 H ALA A 83 -17.540 -0.262 4.446 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.191 -2.125 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.439 -2.453 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.073 -0.724 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.136 -1.553 5.686 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.674 -4.400 5.341 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.763 -5.729 4.760 1.00 0.00 C ATOM 1278 C LEU A 84 -16.579 -5.632 3.244 1.00 0.00 C ATOM 1279 O LEU A 84 -17.480 -5.979 2.482 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.067 -6.411 5.178 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.297 -6.551 6.685 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.487 -7.468 6.974 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -17.025 -7.023 7.392 1.00 0.00 C ATOM 0 H LEU A 84 -16.168 -4.354 6.226 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.962 -6.364 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.900 -5.850 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.093 -7.405 4.732 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.542 -5.568 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.629 -7.551 8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.386 -7.051 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.295 -8.456 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.216 -7.114 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.725 -7.992 6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.227 -6.300 7.226 1.00 0.00 H new ATOM 1295 N THR A 85 -15.405 -5.157 2.852 1.00 0.00 N ATOM 1296 CA THR A 85 -15.092 -5.010 1.441 1.00 0.00 C ATOM 1297 C THR A 85 -13.643 -5.419 1.171 1.00 0.00 C ATOM 1298 O THR A 85 -12.777 -5.254 2.029 1.00 0.00 O ATOM 1299 CB THR A 85 -15.401 -3.567 1.036 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.815 -3.551 0.859 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.848 -3.215 -0.347 1.00 0.00 C ATOM 0 H THR A 85 -14.660 -4.869 3.487 1.00 0.00 H new ATOM 0 HA THR A 85 -15.704 -5.673 0.829 1.00 0.00 H new ATOM 0 HB THR A 85 -14.984 -2.885 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.254 -3.505 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.095 -2.180 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.765 -3.339 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.289 -3.875 -1.094 1.00 0.00 H new ATOM 1309 N THR A 86 -13.423 -5.946 -0.025 1.00 0.00 N ATOM 1310 CA THR A 86 -12.094 -6.381 -0.418 1.00 0.00 C ATOM 1311 C THR A 86 -11.287 -5.201 -0.965 1.00 0.00 C ATOM 1312 O THR A 86 -11.748 -4.489 -1.856 1.00 0.00 O ATOM 1313 CB THR A 86 -12.248 -7.527 -1.420 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.010 -8.503 -0.715 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.921 -8.230 -1.714 1.00 0.00 C ATOM 0 H THR A 86 -14.143 -6.081 -0.734 1.00 0.00 H new ATOM 0 HA THR A 86 -11.530 -6.752 0.438 1.00 0.00 H new ATOM 0 HB THR A 86 -12.668 -7.143 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.159 -9.281 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.086 -9.035 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.214 -7.513 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.516 -8.644 -0.791 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.097 -5.030 -0.408 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.222 -3.949 -0.829 1.00 0.00 C ATOM 1325 C TYR A 87 -7.793 -4.453 -1.044 1.00 0.00 C ATOM 1326 O TYR A 87 -7.310 -5.300 -0.294 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.225 -2.935 0.316 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.357 -1.908 0.234 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.601 -2.210 0.749 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.133 -0.680 -0.355 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.666 -1.244 0.672 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.198 0.286 -0.432 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.412 -0.043 0.085 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.418 0.869 0.012 1.00 0.00 O ATOM 0 H TYR A 87 -9.718 -5.622 0.331 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.567 -3.519 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.302 -3.471 1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.270 -2.409 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.776 -3.171 1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.159 -0.444 -0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.644 -1.468 1.071 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.036 1.251 -0.890 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.084 1.692 -0.402 1.00 0.00 H new ATOM 1344 N THR A 88 -7.157 -3.910 -2.071 1.00 0.00 N ATOM 1345 CA THR A 88 -5.793 -4.293 -2.395 1.00 0.00 C ATOM 1346 C THR A 88 -4.850 -3.099 -2.229 1.00 0.00 C ATOM 1347 O THR A 88 -4.922 -2.137 -2.992 1.00 0.00 O ATOM 1348 CB THR A 88 -5.789 -4.879 -3.808 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.836 -6.288 -3.599 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.460 -4.654 -4.531 1.00 0.00 C ATOM 0 H THR A 88 -7.561 -3.207 -2.690 1.00 0.00 H new ATOM 0 HA THR A 88 -5.423 -5.056 -1.710 1.00 0.00 H new ATOM 0 HB THR A 88 -6.598 -4.434 -4.388 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.838 -6.747 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.511 -5.089 -5.529 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.266 -3.584 -4.611 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.655 -5.128 -3.969 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.988 -3.201 -1.228 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.032 -2.142 -0.953 1.00 0.00 C ATOM 1360 C ILE A 89 -1.728 -2.432 -1.698 1.00 0.00 C ATOM 1361 O ILE A 89 -1.100 -3.467 -1.478 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.852 -1.962 0.556 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.178 -2.158 1.294 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.214 -0.608 0.874 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.287 -1.314 0.662 1.00 0.00 C ATOM 0 H ILE A 89 -3.932 -4.001 -0.597 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.404 -1.187 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.168 -2.732 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.459 -3.211 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.059 -1.883 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.097 -0.505 1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.237 -0.545 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.853 0.192 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.219 -1.472 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.014 -0.260 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.420 -1.608 -0.379 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.358 -1.500 -2.564 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.140 -1.643 -3.343 1.00 0.00 C ATOM 1379 C GLU A 90 0.961 -0.744 -2.776 1.00 0.00 C ATOM 1380 O GLU A 90 0.820 0.478 -2.756 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.394 -1.334 -4.819 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.608 -2.105 -5.340 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.611 -1.162 -6.008 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.956 -0.150 -5.360 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.010 -1.475 -7.150 1.00 0.00 O ATOM 0 H GLU A 90 -1.881 -0.643 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 90 0.192 -2.679 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.556 -0.264 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.487 -1.596 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.284 -2.862 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.091 -2.631 -4.516 1.00 0.00 H new ATOM 1392 N VAL A 91 2.031 -1.384 -2.328 1.00 0.00 N ATOM 1393 CA VAL A 91 3.155 -0.657 -1.762 1.00 0.00 C ATOM 1394 C VAL A 91 4.360 -0.783 -2.696 1.00 0.00 C ATOM 1395 O VAL A 91 4.835 -1.887 -2.957 1.00 0.00 O ATOM 1396 CB VAL A 91 3.442 -1.158 -0.345 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.717 -0.524 0.213 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.251 -0.898 0.580 1.00 0.00 C ATOM 0 H VAL A 91 2.144 -2.398 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 91 2.920 0.404 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 91 3.598 -2.236 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.898 -0.897 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.561 -0.782 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.602 0.559 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.481 -1.264 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.050 0.172 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.373 -1.418 0.197 1.00 0.00 H new ATOM 1408 N ALA A 92 4.821 0.364 -3.173 1.00 0.00 N ATOM 1409 CA ALA A 92 5.962 0.396 -4.072 1.00 0.00 C ATOM 1410 C ALA A 92 7.075 1.239 -3.447 1.00 0.00 C ATOM 1411 O ALA A 92 6.812 2.088 -2.596 1.00 0.00 O ATOM 1412 CB ALA A 92 5.522 0.929 -5.437 1.00 0.00 C ATOM 0 H ALA A 92 4.425 1.278 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 92 6.357 -0.608 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.378 0.953 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.752 0.278 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.122 1.936 -5.322 1.00 0.00 H new ATOM 1418 N ALA A 93 8.295 0.977 -3.894 1.00 0.00 N ATOM 1419 CA ALA A 93 9.448 1.702 -3.389 1.00 0.00 C ATOM 1420 C ALA A 93 9.799 2.832 -4.359 1.00 0.00 C ATOM 1421 O ALA A 93 9.289 2.877 -5.477 1.00 0.00 O ATOM 1422 CB ALA A 93 10.611 0.730 -3.182 1.00 0.00 C ATOM 0 H ALA A 93 8.509 0.273 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 93 9.224 2.154 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.476 1.274 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.321 -0.037 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.865 0.260 -4.132 1.00 0.00 H new ATOM 1428 N MET A 94 10.669 3.718 -3.895 1.00 0.00 N ATOM 1429 CA MET A 94 11.094 4.846 -4.707 1.00 0.00 C ATOM 1430 C MET A 94 12.586 5.126 -4.517 1.00 0.00 C ATOM 1431 O MET A 94 13.074 5.174 -3.389 1.00 0.00 O ATOM 1432 CB MET A 94 10.288 6.087 -4.320 1.00 0.00 C ATOM 1433 CG MET A 94 8.835 5.964 -4.786 1.00 0.00 C ATOM 1434 SD MET A 94 8.016 7.545 -4.654 1.00 0.00 S ATOM 1435 CE MET A 94 8.555 8.038 -3.026 1.00 0.00 C ATOM 0 H MET A 94 11.091 3.677 -2.967 1.00 0.00 H new ATOM 0 HA MET A 94 10.920 4.602 -5.755 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.317 6.221 -3.239 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.742 6.973 -4.763 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.804 5.614 -5.818 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.312 5.223 -4.182 1.00 0.00 H new ATOM 0 HE1 MET A 94 8.089 8.987 -2.760 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.266 7.277 -2.301 1.00 0.00 H new ATOM 0 HE3 MET A 94 9.639 8.152 -3.021 1.00 0.00 H new ATOM 1445 N THR A 95 13.269 5.305 -5.639 1.00 0.00 N ATOM 1446 CA THR A 95 14.696 5.579 -5.610 1.00 0.00 C ATOM 1447 C THR A 95 14.991 6.934 -6.256 1.00 0.00 C ATOM 1448 O THR A 95 14.079 7.726 -6.490 1.00 0.00 O ATOM 1449 CB THR A 95 15.415 4.413 -6.289 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.466 3.919 -7.230 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.647 3.235 -5.340 1.00 0.00 C ATOM 0 H THR A 95 12.861 5.266 -6.573 1.00 0.00 H new ATOM 0 HA THR A 95 15.064 5.655 -4.587 1.00 0.00 H new ATOM 0 HB THR A 95 16.372 4.757 -6.681 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.935 3.580 -8.021 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.161 2.435 -5.872 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.258 3.561 -4.498 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.688 2.869 -4.973 1.00 0.00 H new ATOM 1459 N SER A 96 16.268 7.160 -6.526 1.00 0.00 N ATOM 1460 CA SER A 96 16.695 8.405 -7.140 1.00 0.00 C ATOM 1461 C SER A 96 16.457 8.352 -8.651 1.00 0.00 C ATOM 1462 O SER A 96 16.837 9.271 -9.375 1.00 0.00 O ATOM 1463 CB SER A 96 18.170 8.688 -6.846 1.00 0.00 C ATOM 1464 OG SER A 96 19.036 7.844 -7.599 1.00 0.00 O ATOM 0 H SER A 96 17.022 6.501 -6.330 1.00 0.00 H new ATOM 0 HA SER A 96 16.105 9.216 -6.713 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.392 9.731 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.361 8.547 -5.782 1.00 0.00 H new ATOM 0 HG SER A 96 19.968 8.057 -7.384 1.00 0.00 H new ATOM 1470 N LYS A 97 15.828 7.268 -9.081 1.00 0.00 N ATOM 1471 CA LYS A 97 15.535 7.083 -10.492 1.00 0.00 C ATOM 1472 C LYS A 97 14.019 7.114 -10.701 1.00 0.00 C ATOM 1473 O LYS A 97 13.536 7.675 -11.683 1.00 0.00 O ATOM 1474 CB LYS A 97 16.202 5.810 -11.016 1.00 0.00 C ATOM 1475 CG LYS A 97 15.162 4.835 -11.571 1.00 0.00 C ATOM 1476 CD LYS A 97 14.714 5.251 -12.974 1.00 0.00 C ATOM 1477 CE LYS A 97 13.197 5.127 -13.124 1.00 0.00 C ATOM 1478 NZ LYS A 97 12.710 6.011 -14.207 1.00 0.00 N ATOM 0 H LYS A 97 15.513 6.509 -8.477 1.00 0.00 H new ATOM 0 HA LYS A 97 15.956 7.900 -11.079 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.919 6.066 -11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.762 5.331 -10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.581 3.829 -11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.300 4.800 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.019 6.279 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.209 4.627 -13.718 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.930 4.093 -13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.710 5.390 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.678 5.915 -14.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.948 6.998 -13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.161 5.742 -15.104 1.00 0.00 H new ATOM 1492 N GLY A 98 13.312 6.505 -9.761 1.00 0.00 N ATOM 1493 CA GLY A 98 11.861 6.455 -9.830 1.00 0.00 C ATOM 1494 C GLY A 98 11.307 5.343 -8.938 1.00 0.00 C ATOM 1495 O GLY A 98 11.934 4.965 -7.949 1.00 0.00 O ATOM 0 H GLY A 98 13.717 6.042 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.446 7.414 -9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.548 6.289 -10.861 1.00 0.00 H new ATOM 1499 N GLN A 99 10.138 4.849 -9.318 1.00 0.00 N ATOM 1500 CA GLN A 99 9.493 3.788 -8.565 1.00 0.00 C ATOM 1501 C GLN A 99 9.721 2.438 -9.248 1.00 0.00 C ATOM 1502 O GLN A 99 9.778 2.360 -10.474 1.00 0.00 O ATOM 1503 CB GLN A 99 7.999 4.068 -8.391 1.00 0.00 C ATOM 1504 CG GLN A 99 7.355 3.048 -7.451 1.00 0.00 C ATOM 1505 CD GLN A 99 5.966 2.643 -7.950 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.972 3.340 -7.407 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 5.808 1.757 -8.774 1.00 0.00 N flip ATOM 0 H GLN A 99 9.621 5.165 -10.138 1.00 0.00 H new ATOM 0 HA GLN A 99 9.940 3.751 -7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.858 5.073 -7.994 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.504 4.036 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.990 2.165 -7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.277 3.470 -6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.616 1.261 -9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.868 1.512 -9.086 1.00 0.00 H new ATOM 1516 N GLY A 100 9.847 1.408 -8.424 1.00 0.00 N ATOM 1517 CA GLY A 100 10.068 0.065 -8.933 1.00 0.00 C ATOM 1518 C GLY A 100 8.812 -0.795 -8.776 1.00 0.00 C ATOM 1519 O GLY A 100 7.695 -0.281 -8.817 1.00 0.00 O ATOM 0 H GLY A 100 9.800 1.476 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.351 0.113 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.899 -0.398 -8.400 1.00 0.00 H new ATOM 1523 N GLN A 101 9.037 -2.088 -8.600 1.00 0.00 N ATOM 1524 CA GLN A 101 7.937 -3.024 -8.437 1.00 0.00 C ATOM 1525 C GLN A 101 6.954 -2.510 -7.383 1.00 0.00 C ATOM 1526 O GLN A 101 7.168 -1.452 -6.793 1.00 0.00 O ATOM 1527 CB GLN A 101 8.452 -4.418 -8.072 1.00 0.00 C ATOM 1528 CG GLN A 101 7.773 -5.493 -8.922 1.00 0.00 C ATOM 1529 CD GLN A 101 8.810 -6.361 -9.639 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.259 -7.378 -9.138 1.00 0.00 O ATOM 1531 NE2 GLN A 101 9.162 -5.903 -10.838 1.00 0.00 N ATOM 0 H GLN A 101 9.965 -2.510 -8.567 1.00 0.00 H new ATOM 0 HA GLN A 101 7.411 -3.104 -9.388 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.531 -4.461 -8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.266 -4.613 -7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.145 -6.119 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.118 -5.022 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 101 8.747 -5.044 -11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.847 -6.411 -11.397 1.00 0.00 H new ATOM 1540 N VAL A 102 5.898 -3.282 -7.178 1.00 0.00 N ATOM 1541 CA VAL A 102 4.881 -2.918 -6.206 1.00 0.00 C ATOM 1542 C VAL A 102 4.295 -4.188 -5.587 1.00 0.00 C ATOM 1543 O VAL A 102 4.110 -5.191 -6.276 1.00 0.00 O ATOM 1544 CB VAL A 102 3.823 -2.030 -6.863 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.618 -2.857 -7.316 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.392 -0.903 -5.922 1.00 0.00 C ATOM 0 H VAL A 102 5.724 -4.159 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 102 5.319 -2.334 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 102 4.269 -1.576 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.881 -2.202 -7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.942 -3.607 -8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.172 -3.352 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.639 -0.286 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.973 -1.330 -5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.256 -0.289 -5.670 1.00 0.00 H new ATOM 1556 N SER A 103 4.020 -4.105 -4.293 1.00 0.00 N ATOM 1557 CA SER A 103 3.458 -5.236 -3.574 1.00 0.00 C ATOM 1558 C SER A 103 1.985 -4.974 -3.255 1.00 0.00 C ATOM 1559 O SER A 103 1.670 -4.222 -2.333 1.00 0.00 O ATOM 1560 CB SER A 103 4.239 -5.513 -2.287 1.00 0.00 C ATOM 1561 OG SER A 103 5.376 -6.339 -2.520 1.00 0.00 O ATOM 0 H SER A 103 4.176 -3.273 -3.724 1.00 0.00 H new ATOM 0 HA SER A 103 3.534 -6.118 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.561 -4.569 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.583 -5.995 -1.562 1.00 0.00 H new ATOM 0 HG SER A 103 5.849 -6.491 -1.675 1.00 0.00 H new ATOM 1567 N ALA A 104 1.122 -5.609 -4.034 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.311 -5.454 -3.846 1.00 0.00 C ATOM 1569 C ALA A 104 -0.867 -6.697 -3.149 1.00 0.00 C ATOM 1570 O ALA A 104 -0.787 -7.801 -3.685 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.978 -5.196 -5.198 1.00 0.00 C ATOM 0 H ALA A 104 1.387 -6.232 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.524 -4.596 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.053 -5.080 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.569 -4.286 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.788 -6.038 -5.864 1.00 0.00 H new ATOM 1577 N SER A 105 -1.418 -6.476 -1.965 1.00 0.00 N ATOM 1578 CA SER A 105 -1.987 -7.565 -1.189 1.00 0.00 C ATOM 1579 C SER A 105 -3.476 -7.309 -0.943 1.00 0.00 C ATOM 1580 O SER A 105 -3.860 -6.221 -0.518 1.00 0.00 O ATOM 1581 CB SER A 105 -1.251 -7.737 0.141 1.00 0.00 C ATOM 1582 OG SER A 105 -0.613 -9.007 0.238 1.00 0.00 O ATOM 0 H SER A 105 -1.483 -5.559 -1.524 1.00 0.00 H new ATOM 0 HA SER A 105 -1.872 -8.487 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.506 -6.948 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.957 -7.622 0.963 1.00 0.00 H new ATOM 0 HG SER A 105 -0.153 -9.077 1.100 1.00 0.00 H new ATOM 1588 N THR A 106 -4.272 -8.331 -1.220 1.00 0.00 N ATOM 1589 CA THR A 106 -5.710 -8.231 -1.034 1.00 0.00 C ATOM 1590 C THR A 106 -6.065 -8.353 0.449 1.00 0.00 C ATOM 1591 O THR A 106 -5.565 -9.239 1.141 1.00 0.00 O ATOM 1592 CB THR A 106 -6.375 -9.297 -1.907 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.473 -9.464 -2.998 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.664 -8.797 -2.562 1.00 0.00 C ATOM 0 H THR A 106 -3.949 -9.232 -1.572 1.00 0.00 H new ATOM 0 HA THR A 106 -6.082 -7.255 -1.347 1.00 0.00 H new ATOM 0 HB THR A 106 -6.593 -10.177 -1.302 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.345 -8.604 -3.451 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.095 -9.592 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.375 -8.505 -1.789 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.441 -7.937 -3.194 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.926 -7.449 0.895 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.354 -7.444 2.283 1.00 0.00 C ATOM 1604 C ILE A 107 -8.813 -6.988 2.361 1.00 0.00 C ATOM 1605 O ILE A 107 -9.181 -5.971 1.774 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.401 -6.602 3.134 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.937 -6.439 4.558 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.118 -5.254 2.470 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.782 -7.736 5.355 1.00 0.00 C ATOM 0 H ILE A 107 -7.338 -6.715 0.319 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.311 -8.451 2.698 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.450 -7.130 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.403 -5.633 5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.988 -6.152 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.438 -4.676 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.662 -5.418 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.052 -4.706 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.171 -7.592 6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.337 -8.534 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.727 -8.007 5.408 1.00 0.00 H new ATOM 1621 N SER A 108 -9.603 -7.762 3.089 1.00 0.00 N ATOM 1622 CA SER A 108 -11.013 -7.451 3.251 1.00 0.00 C ATOM 1623 C SER A 108 -11.247 -6.772 4.602 1.00 0.00 C ATOM 1624 O SER A 108 -10.966 -7.352 5.650 1.00 0.00 O ATOM 1625 CB SER A 108 -11.872 -8.712 3.135 1.00 0.00 C ATOM 1626 OG SER A 108 -13.152 -8.543 3.739 1.00 0.00 O ATOM 0 H SER A 108 -9.294 -8.604 3.574 1.00 0.00 H new ATOM 0 HA SER A 108 -11.307 -6.769 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.998 -8.969 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.355 -9.547 3.608 1.00 0.00 H new ATOM 0 HG SER A 108 -13.671 -9.369 3.643 1.00 0.00 H new ATOM 1632 N SER A 109 -11.759 -5.552 4.534 1.00 0.00 N ATOM 1633 CA SER A 109 -12.034 -4.787 5.739 1.00 0.00 C ATOM 1634 C SER A 109 -12.569 -5.712 6.834 1.00 0.00 C ATOM 1635 O SER A 109 -13.289 -6.668 6.549 1.00 0.00 O ATOM 1636 CB SER A 109 -13.033 -3.662 5.461 1.00 0.00 C ATOM 1637 OG SER A 109 -14.225 -4.145 4.848 1.00 0.00 O ATOM 0 H SER A 109 -11.991 -5.074 3.663 1.00 0.00 H new ATOM 0 HA SER A 109 -11.102 -4.334 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.284 -3.161 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.569 -2.917 4.814 1.00 0.00 H new ATOM 0 HG SER A 109 -14.640 -3.426 4.328 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.195 -5.395 8.066 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.628 -6.186 9.206 1.00 0.00 C ATOM 1645 C GLY A 110 -14.151 -6.155 9.347 1.00 0.00 C ATOM 1646 O GLY A 110 -14.846 -7.014 8.806 1.00 0.00 O ATOM 0 H GLY A 110 -11.597 -4.602 8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.291 -7.216 9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.167 -5.802 10.116 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.626 -5.157 10.078 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.054 -5.004 10.298 1.00 0.00 C ATOM 1652 C VAL A 111 -16.306 -3.735 11.115 1.00 0.00 C ATOM 1653 O VAL A 111 -15.528 -3.402 12.007 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.620 -6.262 10.958 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.868 -6.590 12.249 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.120 -6.117 11.219 1.00 0.00 C ATOM 0 H VAL A 111 -14.047 -4.446 10.525 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.577 -4.889 9.348 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.479 -7.094 10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.291 -7.489 12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.815 -6.758 12.024 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.962 -5.758 12.946 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.497 -7.025 11.689 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.294 -5.268 11.880 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.640 -5.954 10.275 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.426 -3.044 10.773 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.791 -1.819 11.465 1.00 0.00 C ATOM 1668 C PRO A 112 -18.360 -2.122 12.852 1.00 0.00 C ATOM 1669 O PRO A 112 -19.302 -2.902 12.984 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.791 -1.133 10.549 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.300 -2.211 9.605 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.371 -3.408 9.722 1.00 0.00 C ATOM 0 HA PRO A 112 -16.935 -1.171 11.654 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.610 -0.697 11.121 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.320 -0.320 9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.321 -2.493 9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.320 -1.842 8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.922 -4.312 9.981 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.859 -3.605 8.780 1.00 0.00 H new ATOM 1680 N PRO A 113 -17.749 -1.472 13.878 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.186 -1.664 15.251 1.00 0.00 C ATOM 1682 C PRO A 113 -19.498 -0.924 15.518 1.00 0.00 C ATOM 1683 O PRO A 113 -19.967 -0.161 14.674 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.034 -1.157 16.104 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.195 -0.277 15.192 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.631 -0.540 13.760 1.00 0.00 C ATOM 0 HA PRO A 113 -18.406 -2.707 15.481 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.402 -0.593 16.961 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.445 -1.986 16.497 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.331 0.774 15.445 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.135 -0.500 15.315 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -16.934 0.381 13.263 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.819 -0.968 13.171 1.00 0.00 H new