USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 748 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 89 THR OG1 : rot -120:sc= -0.0115 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.88 K(o=0.87,f=0.23) USER MOD Set 2.1: A 78 MET CE :methyl 165:sc= -1.52 (180deg=-2.19!) USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 44 ASN : amide:sc= -0.213! C(o=0.49!,f=-3.2!) USER MOD Set 3.2: A 56 TYR OH : rot 10:sc= 0.7 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.04 F(o=-5.3!,f=-1) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.412 F(o=-1,f=-0.41) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -0.0382 (180deg=-0.259) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.84 F(o=-2.4!,f=-1.8) USER MOD Single : A 26 ASN : amide:sc= 0.669 K(o=0.67,f=-0.057) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -3.57! C(o=-5.9!,f=-3.6!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -2.04! C(o=-3.4!,f=-2!) USER MOD Single : A 47 SER OG : rot 0:sc= -0.251 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0931) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.072 USER MOD Single : A 61 SER OG : rot 50:sc= -2.1! USER MOD Single : A 72 GLN :FLIP amide:sc=-0.00161 F(o=-0.74,f=-0.0016) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0681) USER MOD Single : A 79 GLN : amide:sc= -2.5! C(o=-2.5!,f=-13!) USER MOD Single : A 81 ASN : amide:sc= -2.28! C(o=-2.3!,f=-5.3!) USER MOD Single : A 85 MET CE :methyl 177:sc= -5.46! (180deg=-5.71!) USER MOD Single : A 87 MET CE :methyl -142:sc= -0.18 (180deg=-0.757) USER MOD Single : A 90 HIS : no HD1:sc= -0.724 K(o=-0.72,f=-4!) USER MOD Single : A 95 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.079) USER MOD Single : A 98 THR OG1 : rot -40:sc= 0.759 USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.17) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -35:sc= 0.337 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -8.328 -10.555 -4.176 1.00 0.00 N ATOM 154 CA VAL A 12 -8.374 -9.849 -5.427 1.00 0.00 C ATOM 155 C VAL A 12 -7.094 -9.043 -5.619 1.00 0.00 C ATOM 156 O VAL A 12 -6.716 -8.241 -4.751 1.00 0.00 O ATOM 157 CB VAL A 12 -9.605 -8.903 -5.495 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.680 -8.173 -6.829 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.886 -9.675 -5.244 1.00 0.00 C ATOM 0 HA VAL A 12 -8.464 -10.585 -6.226 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.486 -8.154 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.554 -7.521 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.779 -7.575 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.761 -8.900 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.737 -8.995 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.996 -10.452 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.847 -10.133 -4.256 1.00 0.00 H new ATOM 169 N VAL A 13 -6.434 -9.275 -6.727 1.00 0.00 N ATOM 170 CA VAL A 13 -5.218 -8.571 -7.092 1.00 0.00 C ATOM 171 C VAL A 13 -5.524 -7.635 -8.264 1.00 0.00 C ATOM 172 O VAL A 13 -6.386 -7.940 -9.100 1.00 0.00 O ATOM 173 CB VAL A 13 -4.066 -9.565 -7.487 1.00 0.00 C ATOM 174 CG1 VAL A 13 -4.373 -10.337 -8.768 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.718 -8.857 -7.584 1.00 0.00 C ATOM 0 H VAL A 13 -6.727 -9.969 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.874 -8.001 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.004 -10.296 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.545 -11.009 -8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.285 -10.918 -8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.508 -9.636 -9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.948 -9.577 -7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.771 -8.075 -8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.471 -8.412 -6.620 1.00 0.00 H new ATOM 185 N GLN A 14 -4.877 -6.510 -8.316 1.00 0.00 N ATOM 186 CA GLN A 14 -5.092 -5.574 -9.395 1.00 0.00 C ATOM 187 C GLN A 14 -3.862 -4.719 -9.606 1.00 0.00 C ATOM 188 O GLN A 14 -3.068 -4.511 -8.661 1.00 0.00 O ATOM 189 CB GLN A 14 -6.356 -4.730 -9.116 1.00 0.00 C ATOM 190 CG GLN A 14 -6.315 -3.910 -7.841 1.00 0.00 C ATOM 191 CD GLN A 14 -5.939 -2.462 -8.068 1.00 0.00 C ATOM 192 OE1 GLN A 14 -4.684 -2.170 -8.050 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -6.794 -1.617 -8.276 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.191 -6.210 -7.623 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.262 -6.120 -10.323 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.517 -4.056 -9.958 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.217 -5.397 -9.073 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.292 -3.952 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.600 -4.359 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.780 -1.880 -8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.523 -0.648 -8.442 1.00 0.00 H new ATOM 202 N ARG A 15 -3.709 -4.210 -10.804 1.00 0.00 N ATOM 203 CA ARG A 15 -2.576 -3.380 -11.145 1.00 0.00 C ATOM 204 C ARG A 15 -2.960 -1.941 -10.970 1.00 0.00 C ATOM 205 O ARG A 15 -4.097 -1.560 -11.224 1.00 0.00 O ATOM 206 CB ARG A 15 -2.042 -3.685 -12.590 1.00 0.00 C ATOM 207 CG ARG A 15 -3.008 -3.416 -13.768 1.00 0.00 C ATOM 208 CD ARG A 15 -3.000 -1.954 -14.246 1.00 0.00 C ATOM 209 NE ARG A 15 -1.729 -1.585 -14.901 1.00 0.00 N ATOM 210 CZ ARG A 15 -1.402 -0.348 -15.351 1.00 0.00 C ATOM 211 NH1 ARG A 15 -2.278 0.669 -15.274 1.00 0.00 N ATOM 212 NH2 ARG A 15 -0.214 -0.147 -15.911 1.00 0.00 N ATOM 0 H ARG A 15 -4.365 -4.358 -11.571 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.748 -3.606 -10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.140 -3.094 -12.750 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.746 -4.733 -12.627 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.740 -4.064 -14.602 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.020 -3.686 -13.467 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.824 -1.797 -14.942 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.172 -1.295 -13.395 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.037 -2.324 -15.026 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.203 0.516 -14.873 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.017 1.594 -15.617 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.445 -0.920 -16.000 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.039 0.781 -16.252 1.00 0.00 H new ATOM 226 N VAL A 16 -2.062 -1.166 -10.509 1.00 0.00 N ATOM 227 CA VAL A 16 -2.305 0.217 -10.318 1.00 0.00 C ATOM 228 C VAL A 16 -1.124 0.965 -10.857 1.00 0.00 C ATOM 229 O VAL A 16 -0.031 0.410 -10.937 1.00 0.00 O ATOM 230 CB VAL A 16 -2.564 0.531 -8.825 1.00 0.00 C ATOM 231 CG1 VAL A 16 -1.358 0.403 -7.965 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.307 1.812 -8.606 1.00 0.00 C ATOM 0 H VAL A 16 -1.124 -1.470 -10.248 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.204 0.527 -10.851 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.236 -0.259 -8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.620 0.639 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.979 -0.618 -8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.589 1.094 -8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.454 1.969 -7.537 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.733 2.641 -9.019 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.276 1.760 -9.102 1.00 0.00 H new ATOM 242 N GLU A 17 -1.324 2.175 -11.244 1.00 0.00 N ATOM 243 CA GLU A 17 -0.295 2.912 -11.884 1.00 0.00 C ATOM 244 C GLU A 17 -0.352 4.359 -11.511 1.00 0.00 C ATOM 245 O GLU A 17 -1.242 5.099 -11.936 1.00 0.00 O ATOM 246 CB GLU A 17 -0.435 2.725 -13.361 1.00 0.00 C ATOM 247 CG GLU A 17 0.531 3.487 -14.199 1.00 0.00 C ATOM 248 CD GLU A 17 0.316 3.152 -15.633 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.590 3.712 -16.238 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.996 2.246 -16.157 1.00 0.00 O ATOM 0 H GLU A 17 -2.202 2.680 -11.126 1.00 0.00 H new ATOM 0 HA GLU A 17 0.678 2.545 -11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.327 1.664 -13.587 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.446 3.011 -13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.400 4.558 -14.041 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.553 3.244 -13.907 1.00 0.00 H new ATOM 257 N ILE A 18 0.579 4.750 -10.726 1.00 0.00 N ATOM 258 CA ILE A 18 0.651 6.096 -10.284 1.00 0.00 C ATOM 259 C ILE A 18 1.625 6.872 -11.137 1.00 0.00 C ATOM 260 O ILE A 18 2.767 6.455 -11.345 1.00 0.00 O ATOM 261 CB ILE A 18 0.995 6.243 -8.761 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.214 5.968 -7.851 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.548 7.607 -8.463 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.669 4.538 -7.764 1.00 0.00 C ATOM 0 H ILE A 18 1.318 4.145 -10.368 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.349 6.515 -10.400 1.00 0.00 H new ATOM 0 HB ILE A 18 1.751 5.488 -8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.029 6.312 -6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.051 6.573 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.778 7.682 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.457 7.766 -9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.811 8.365 -8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.526 4.469 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.954 4.186 -8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.143 3.921 -7.379 1.00 0.00 H new ATOM 276 N HIS A 19 1.147 7.961 -11.659 1.00 0.00 N ATOM 277 CA HIS A 19 1.943 8.850 -12.447 1.00 0.00 C ATOM 278 C HIS A 19 2.511 9.927 -11.545 1.00 0.00 C ATOM 279 O HIS A 19 1.862 10.314 -10.574 1.00 0.00 O ATOM 280 CB HIS A 19 1.084 9.506 -13.539 1.00 0.00 C ATOM 281 CG HIS A 19 0.479 8.562 -14.525 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.761 7.265 -14.776 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.519 8.911 -15.409 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.046 6.815 -15.811 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.800 7.844 -16.154 1.00 0.00 N flip ATOM 0 H HIS A 19 0.178 8.261 -11.547 1.00 0.00 H new ATOM 0 HA HIS A 19 2.749 8.289 -12.921 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.283 10.068 -13.060 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.699 10.226 -14.079 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.990 9.880 -15.484 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.056 5.827 -16.247 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.504 7.824 -16.892 1.00 0.00 H new ATOM 293 N LYS A 20 3.724 10.356 -11.854 1.00 0.00 N ATOM 294 CA LYS A 20 4.428 11.452 -11.163 1.00 0.00 C ATOM 295 C LYS A 20 3.500 12.625 -10.739 1.00 0.00 C ATOM 296 O LYS A 20 2.878 13.299 -11.577 1.00 0.00 O ATOM 297 CB LYS A 20 5.557 11.974 -12.084 1.00 0.00 C ATOM 298 CG LYS A 20 5.093 12.337 -13.494 1.00 0.00 C ATOM 299 CD LYS A 20 6.190 12.998 -14.313 1.00 0.00 C ATOM 300 CE LYS A 20 5.689 13.372 -15.710 1.00 0.00 C ATOM 301 NZ LYS A 20 4.534 14.308 -15.671 1.00 0.00 N ATOM 0 H LYS A 20 4.271 9.947 -12.612 1.00 0.00 H new ATOM 0 HA LYS A 20 4.832 11.044 -10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.009 12.853 -11.624 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.335 11.214 -12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.754 11.436 -14.005 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.237 13.008 -13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.543 13.892 -13.799 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.041 12.322 -14.398 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.503 13.828 -16.274 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.400 12.466 -16.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.384 14.713 -16.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.680 13.793 -15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.729 15.073 -14.994 1.00 0.00 H new ATOM 315 N LEU A 21 3.389 12.829 -9.446 1.00 0.00 N ATOM 316 CA LEU A 21 2.626 13.928 -8.890 1.00 0.00 C ATOM 317 C LEU A 21 3.523 14.823 -8.057 1.00 0.00 C ATOM 318 O LEU A 21 4.176 14.370 -7.122 1.00 0.00 O ATOM 319 CB LEU A 21 1.500 13.414 -7.997 1.00 0.00 C ATOM 320 CG LEU A 21 0.743 14.496 -7.206 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.091 15.376 -8.125 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.102 13.890 -6.098 1.00 0.00 C ATOM 0 H LEU A 21 3.828 12.234 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 21 2.204 14.489 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.785 12.873 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.917 12.696 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 21 1.489 15.134 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.612 16.129 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.560 15.869 -8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.820 14.762 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.622 14.684 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.832 13.206 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.541 13.345 -5.407 1.00 0.00 H new ATOM 334 N ARG A 22 3.566 16.071 -8.373 1.00 0.00 N ATOM 335 CA ARG A 22 4.330 16.984 -7.583 1.00 0.00 C ATOM 336 C ARG A 22 3.484 17.549 -6.482 1.00 0.00 C ATOM 337 O ARG A 22 2.382 18.037 -6.718 1.00 0.00 O ATOM 338 CB ARG A 22 4.933 18.106 -8.413 1.00 0.00 C ATOM 339 CG ARG A 22 6.040 17.655 -9.329 1.00 0.00 C ATOM 340 CD ARG A 22 6.635 18.821 -10.068 1.00 0.00 C ATOM 341 NE ARG A 22 7.796 18.425 -10.868 1.00 0.00 N ATOM 342 CZ ARG A 22 8.744 19.262 -11.300 1.00 0.00 C ATOM 343 NH1 ARG A 22 8.687 20.558 -10.994 1.00 0.00 N ATOM 344 NH2 ARG A 22 9.758 18.794 -12.023 1.00 0.00 N ATOM 0 H ARG A 22 3.084 16.486 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 22 5.159 16.422 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.146 18.568 -9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.318 18.875 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.815 17.153 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.653 16.927 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.880 19.263 -10.718 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.931 19.590 -9.355 1.00 0.00 H new ATOM 0 HE ARG A 22 7.888 17.439 -11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.917 20.915 -10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.413 21.193 -11.326 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.810 17.800 -12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.484 19.429 -12.355 1.00 0.00 H new ATOM 358 N GLN A 23 3.966 17.444 -5.282 1.00 0.00 N ATOM 359 CA GLN A 23 3.301 18.025 -4.172 1.00 0.00 C ATOM 360 C GLN A 23 4.247 18.990 -3.553 1.00 0.00 C ATOM 361 O GLN A 23 5.246 18.578 -2.968 1.00 0.00 O ATOM 362 CB GLN A 23 2.859 16.993 -3.141 1.00 0.00 C ATOM 363 CG GLN A 23 1.825 15.983 -3.628 1.00 0.00 C ATOM 364 CD GLN A 23 1.166 15.212 -2.485 1.00 0.00 C ATOM 365 OE1 GLN A 23 0.946 15.865 -1.370 1.00 0.00 O flip ATOM 366 NE2 GLN A 23 0.798 14.046 -2.624 1.00 0.00 N flip ATOM 0 H GLN A 23 4.830 16.953 -5.052 1.00 0.00 H new ATOM 0 HA GLN A 23 2.390 18.514 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.738 16.449 -2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.450 17.519 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.057 16.504 -4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.304 15.278 -4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.979 13.555 -3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.312 13.570 -1.864 1.00 0.00 H new ATOM 375 N GLY A 24 3.990 20.252 -3.751 1.00 0.00 N ATOM 376 CA GLY A 24 4.839 21.279 -3.217 1.00 0.00 C ATOM 377 C GLY A 24 6.137 21.363 -3.976 1.00 0.00 C ATOM 378 O GLY A 24 6.186 21.911 -5.076 1.00 0.00 O ATOM 0 H GLY A 24 3.191 20.597 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.325 22.239 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.042 21.076 -2.166 1.00 0.00 H new ATOM 382 N GLU A 25 7.175 20.788 -3.417 1.00 0.00 N ATOM 383 CA GLU A 25 8.490 20.795 -4.044 1.00 0.00 C ATOM 384 C GLU A 25 9.016 19.384 -4.178 1.00 0.00 C ATOM 385 O GLU A 25 10.217 19.162 -4.435 1.00 0.00 O ATOM 386 CB GLU A 25 9.462 21.610 -3.216 1.00 0.00 C ATOM 387 CG GLU A 25 9.096 23.061 -3.079 1.00 0.00 C ATOM 388 CD GLU A 25 10.060 23.786 -2.208 1.00 0.00 C ATOM 389 OE1 GLU A 25 10.050 23.556 -0.985 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.836 24.614 -2.720 1.00 0.00 O ATOM 0 H GLU A 25 7.141 20.303 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 25 8.393 21.241 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.531 21.170 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.452 21.539 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.073 23.526 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.092 23.147 -2.663 1.00 0.00 H new ATOM 397 N ASN A 26 8.141 18.434 -4.017 1.00 0.00 N ATOM 398 CA ASN A 26 8.540 17.045 -4.043 1.00 0.00 C ATOM 399 C ASN A 26 7.754 16.357 -5.086 1.00 0.00 C ATOM 400 O ASN A 26 6.767 16.896 -5.591 1.00 0.00 O ATOM 401 CB ASN A 26 8.219 16.324 -2.723 1.00 0.00 C ATOM 402 CG ASN A 26 8.255 17.194 -1.524 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.281 17.370 -0.883 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.126 17.713 -1.197 1.00 0.00 N ATOM 0 H ASN A 26 7.144 18.589 -3.866 1.00 0.00 H new ATOM 0 HA ASN A 26 9.615 17.017 -4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.229 15.874 -2.801 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.930 15.509 -2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.057 18.303 -0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.299 17.535 -1.766 1.00 0.00 H new ATOM 411 N LEU A 27 8.142 15.174 -5.371 1.00 0.00 N ATOM 412 CA LEU A 27 7.410 14.350 -6.247 1.00 0.00 C ATOM 413 C LEU A 27 6.962 13.197 -5.437 1.00 0.00 C ATOM 414 O LEU A 27 7.788 12.491 -4.855 1.00 0.00 O ATOM 415 CB LEU A 27 8.246 13.826 -7.377 1.00 0.00 C ATOM 416 CG LEU A 27 7.423 13.123 -8.440 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.748 14.125 -9.340 1.00 0.00 C ATOM 418 CD2 LEU A 27 8.238 12.130 -9.214 1.00 0.00 C ATOM 0 H LEU A 27 8.989 14.746 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 27 6.594 14.923 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.791 14.652 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.989 13.133 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 27 6.643 12.553 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.163 13.600 -10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.089 14.760 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.503 14.741 -9.829 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.610 11.650 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.064 12.643 -9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.633 11.375 -8.534 1.00 0.00 H new ATOM 430 N ILE A 28 5.702 13.018 -5.328 1.00 0.00 N ATOM 431 CA ILE A 28 5.224 11.934 -4.580 1.00 0.00 C ATOM 432 C ILE A 28 4.293 11.161 -5.454 1.00 0.00 C ATOM 433 O ILE A 28 3.829 11.646 -6.486 1.00 0.00 O ATOM 434 CB ILE A 28 4.480 12.360 -3.270 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.960 13.742 -2.790 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.723 11.323 -2.179 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.407 14.175 -1.455 1.00 0.00 C ATOM 0 H ILE A 28 4.986 13.611 -5.749 1.00 0.00 H new ATOM 0 HA ILE A 28 6.079 11.338 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 28 3.413 12.422 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.048 13.733 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.688 14.486 -3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.203 11.624 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.348 10.354 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.792 11.249 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.800 15.159 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.319 14.222 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.701 13.457 -0.689 1.00 0.00 H new ATOM 449 N LEU A 29 4.025 9.982 -5.056 1.00 0.00 N ATOM 450 CA LEU A 29 3.139 9.118 -5.762 1.00 0.00 C ATOM 451 C LEU A 29 1.752 9.227 -5.139 1.00 0.00 C ATOM 452 O LEU A 29 0.822 8.470 -5.417 1.00 0.00 O ATOM 453 CB LEU A 29 3.716 7.706 -5.740 1.00 0.00 C ATOM 454 CG LEU A 29 5.063 7.501 -6.500 1.00 0.00 C ATOM 455 CD1 LEU A 29 5.009 7.972 -7.942 1.00 0.00 C ATOM 456 CD2 LEU A 29 6.276 8.096 -5.797 1.00 0.00 C ATOM 0 H LEU A 29 4.420 9.570 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 29 3.036 9.400 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.861 7.411 -4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.976 7.027 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 29 5.196 6.419 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.976 7.803 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.239 7.416 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.773 9.036 -7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.170 7.909 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.137 9.171 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.390 7.635 -4.816 1.00 0.00 H new ATOM 468 N GLY A 30 1.659 10.187 -4.278 1.00 0.00 N ATOM 469 CA GLY A 30 0.422 10.593 -3.673 1.00 0.00 C ATOM 470 C GLY A 30 0.061 9.840 -2.410 1.00 0.00 C ATOM 471 O GLY A 30 -0.306 10.443 -1.396 1.00 0.00 O ATOM 0 H GLY A 30 2.463 10.730 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.477 11.657 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.381 10.465 -4.399 1.00 0.00 H new ATOM 475 N PHE A 31 0.140 8.542 -2.470 1.00 0.00 N ATOM 476 CA PHE A 31 -0.265 7.702 -1.367 1.00 0.00 C ATOM 477 C PHE A 31 0.866 7.493 -0.349 1.00 0.00 C ATOM 478 O PHE A 31 2.001 7.895 -0.573 1.00 0.00 O ATOM 479 CB PHE A 31 -0.804 6.367 -1.892 1.00 0.00 C ATOM 480 CG PHE A 31 0.215 5.472 -2.518 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.629 5.666 -3.817 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.738 4.425 -1.806 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.556 4.829 -4.395 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.663 3.581 -2.367 1.00 0.00 C ATOM 485 CZ PHE A 31 2.078 3.779 -3.668 1.00 0.00 C ATOM 0 H PHE A 31 0.486 8.031 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.065 8.214 -0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.275 5.833 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.584 6.571 -2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.221 6.486 -4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.417 4.261 -0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.874 4.993 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.066 2.762 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.806 3.117 -4.114 1.00 0.00 H new ATOM 495 N SER A 32 0.527 6.904 0.771 1.00 0.00 N ATOM 496 CA SER A 32 1.451 6.619 1.831 1.00 0.00 C ATOM 497 C SER A 32 1.280 5.181 2.317 1.00 0.00 C ATOM 498 O SER A 32 0.250 4.568 2.069 1.00 0.00 O ATOM 499 CB SER A 32 1.195 7.577 2.952 1.00 0.00 C ATOM 500 OG SER A 32 1.367 8.922 2.498 1.00 0.00 O ATOM 0 H SER A 32 -0.427 6.603 0.972 1.00 0.00 H new ATOM 0 HA SER A 32 2.473 6.732 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.183 7.440 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.877 7.374 3.777 1.00 0.00 H new ATOM 0 HG SER A 32 1.196 9.541 3.238 1.00 0.00 H new ATOM 506 N ILE A 33 2.263 4.674 3.039 1.00 0.00 N ATOM 507 CA ILE A 33 2.289 3.286 3.468 1.00 0.00 C ATOM 508 C ILE A 33 2.350 3.201 4.978 1.00 0.00 C ATOM 509 O ILE A 33 2.651 4.190 5.652 1.00 0.00 O ATOM 510 CB ILE A 33 3.527 2.539 2.892 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.826 2.843 3.700 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.704 2.934 1.451 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.079 2.146 3.196 1.00 0.00 C ATOM 0 H ILE A 33 3.071 5.216 3.346 1.00 0.00 H new ATOM 0 HA ILE A 33 1.377 2.818 3.097 1.00 0.00 H new ATOM 0 HB ILE A 33 3.350 1.466 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.999 3.919 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.664 2.557 4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.569 2.417 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.812 2.661 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.859 4.011 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.926 2.422 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.935 1.066 3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.275 2.449 2.168 1.00 0.00 H new ATOM 525 N GLY A 34 2.115 2.032 5.502 1.00 0.00 N ATOM 526 CA GLY A 34 2.160 1.863 6.923 1.00 0.00 C ATOM 527 C GLY A 34 3.330 1.047 7.340 1.00 0.00 C ATOM 528 O GLY A 34 3.801 1.155 8.461 1.00 0.00 O ATOM 0 H GLY A 34 1.892 1.190 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.206 2.840 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.242 1.384 7.262 1.00 0.00 H new ATOM 532 N GLY A 35 3.850 0.274 6.426 1.00 0.00 N ATOM 533 CA GLY A 35 4.944 -0.566 6.746 1.00 0.00 C ATOM 534 C GLY A 35 4.662 -1.989 6.427 1.00 0.00 C ATOM 535 O GLY A 35 3.582 -2.296 6.021 1.00 0.00 O ATOM 0 H GLY A 35 3.527 0.217 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.826 -0.239 6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.177 -0.471 7.807 1.00 0.00 H new ATOM 539 N GLY A 36 5.697 -2.816 6.489 1.00 0.00 N ATOM 540 CA GLY A 36 5.553 -4.234 6.281 1.00 0.00 C ATOM 541 C GLY A 36 5.975 -5.036 7.492 1.00 0.00 C ATOM 542 O GLY A 36 5.445 -4.852 8.563 1.00 0.00 O ATOM 0 H GLY A 36 6.652 -2.516 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.514 -4.460 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.151 -4.536 5.421 1.00 0.00 H new ATOM 546 N ILE A 37 7.000 -5.873 7.336 1.00 0.00 N ATOM 547 CA ILE A 37 7.452 -6.778 8.435 1.00 0.00 C ATOM 548 C ILE A 37 8.045 -6.000 9.597 1.00 0.00 C ATOM 549 O ILE A 37 8.136 -6.496 10.701 1.00 0.00 O ATOM 550 CB ILE A 37 8.511 -7.848 7.979 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.922 -7.234 7.757 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.041 -8.567 6.721 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.027 -6.269 6.631 1.00 0.00 C ATOM 0 H ILE A 37 7.540 -5.956 6.475 1.00 0.00 H new ATOM 0 HA ILE A 37 6.546 -7.299 8.745 1.00 0.00 H new ATOM 0 HB ILE A 37 8.600 -8.570 8.791 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.229 -6.731 8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.630 -8.045 7.585 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.788 -9.303 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.095 -9.070 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.903 -7.843 5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.050 -5.900 6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.757 -6.766 5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.351 -5.432 6.805 1.00 0.00 H new ATOM 565 N ASP A 38 8.440 -4.779 9.314 1.00 0.00 N ATOM 566 CA ASP A 38 9.088 -3.903 10.282 1.00 0.00 C ATOM 567 C ASP A 38 8.056 -3.339 11.258 1.00 0.00 C ATOM 568 O ASP A 38 8.388 -2.697 12.245 1.00 0.00 O ATOM 569 CB ASP A 38 9.779 -2.776 9.507 1.00 0.00 C ATOM 570 CG ASP A 38 10.691 -1.894 10.328 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.673 -2.411 10.904 1.00 0.00 O ATOM 572 OD2 ASP A 38 10.496 -0.673 10.308 1.00 0.00 O ATOM 0 H ASP A 38 8.321 -4.355 8.394 1.00 0.00 H new ATOM 0 HA ASP A 38 9.823 -4.456 10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.360 -3.217 8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.014 -2.151 9.047 1.00 0.00 H new ATOM 577 N GLN A 39 6.794 -3.581 10.954 1.00 0.00 N ATOM 578 CA GLN A 39 5.693 -3.099 11.787 1.00 0.00 C ATOM 579 C GLN A 39 5.107 -4.291 12.525 1.00 0.00 C ATOM 580 O GLN A 39 5.424 -5.440 12.182 1.00 0.00 O ATOM 581 CB GLN A 39 4.609 -2.458 10.902 1.00 0.00 C ATOM 582 CG GLN A 39 5.168 -1.771 9.717 1.00 0.00 C ATOM 583 CD GLN A 39 6.196 -0.716 10.045 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.245 -0.723 9.270 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.108 -0.006 11.037 1.00 0.00 N flip ATOM 0 H GLN A 39 6.499 -4.110 10.134 1.00 0.00 H new ATOM 0 HA GLN A 39 6.054 -2.351 12.493 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.912 -3.229 10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.038 -1.743 11.495 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.622 -2.513 9.060 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.353 -1.308 9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.266 -0.036 11.612 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.876 0.616 11.289 1.00 0.00 H new ATOM 594 N ASP A 40 4.300 -4.058 13.537 1.00 0.00 N ATOM 595 CA ASP A 40 3.667 -5.179 14.222 1.00 0.00 C ATOM 596 C ASP A 40 2.200 -5.212 13.871 1.00 0.00 C ATOM 597 O ASP A 40 1.475 -4.249 14.170 1.00 0.00 O ATOM 598 CB ASP A 40 3.760 -5.095 15.726 1.00 0.00 C ATOM 599 CG ASP A 40 3.579 -6.457 16.362 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.422 -6.873 16.600 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.589 -7.159 16.600 1.00 0.00 O ATOM 0 H ASP A 40 4.067 -3.134 13.901 1.00 0.00 H new ATOM 0 HA ASP A 40 4.198 -6.073 13.894 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.728 -4.683 16.011 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.000 -4.411 16.102 1.00 0.00 H new ATOM 606 N PRO A 41 1.726 -6.301 13.270 1.00 0.00 N ATOM 607 CA PRO A 41 0.337 -6.441 12.842 1.00 0.00 C ATOM 608 C PRO A 41 -0.668 -6.235 13.971 1.00 0.00 C ATOM 609 O PRO A 41 -1.759 -5.715 13.750 1.00 0.00 O ATOM 610 CB PRO A 41 0.244 -7.863 12.279 1.00 0.00 C ATOM 611 CG PRO A 41 1.528 -8.534 12.623 1.00 0.00 C ATOM 612 CD PRO A 41 2.517 -7.464 12.912 1.00 0.00 C ATOM 0 HA PRO A 41 0.082 -5.675 12.110 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.602 -8.398 12.711 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.092 -7.845 11.200 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.402 -9.186 13.488 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.868 -9.160 11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.183 -7.753 13.725 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.144 -7.262 12.043 1.00 0.00 H new ATOM 620 N SER A 42 -0.254 -6.549 15.186 1.00 0.00 N ATOM 621 CA SER A 42 -1.134 -6.449 16.342 1.00 0.00 C ATOM 622 C SER A 42 -1.475 -4.975 16.651 1.00 0.00 C ATOM 623 O SER A 42 -2.538 -4.678 17.187 1.00 0.00 O ATOM 624 CB SER A 42 -0.481 -7.127 17.567 1.00 0.00 C ATOM 625 OG SER A 42 -1.378 -7.253 18.679 1.00 0.00 O ATOM 0 H SER A 42 0.688 -6.876 15.400 1.00 0.00 H new ATOM 0 HA SER A 42 -2.066 -6.966 16.112 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.124 -8.116 17.281 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.391 -6.549 17.874 1.00 0.00 H new ATOM 0 HG SER A 42 -0.915 -7.689 19.425 1.00 0.00 H new ATOM 631 N GLN A 43 -0.592 -4.061 16.269 1.00 0.00 N ATOM 632 CA GLN A 43 -0.775 -2.644 16.584 1.00 0.00 C ATOM 633 C GLN A 43 -0.915 -1.806 15.334 1.00 0.00 C ATOM 634 O GLN A 43 -0.932 -0.577 15.383 1.00 0.00 O ATOM 635 CB GLN A 43 0.388 -2.151 17.439 1.00 0.00 C ATOM 636 CG GLN A 43 1.752 -2.340 16.844 1.00 0.00 C ATOM 637 CD GLN A 43 2.750 -2.806 17.875 1.00 0.00 C ATOM 638 OE1 GLN A 43 2.320 -3.685 18.752 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 3.920 -2.463 17.812 1.00 0.00 N flip ATOM 0 H GLN A 43 0.256 -4.271 15.742 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.703 -2.538 17.146 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.243 -1.090 17.642 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.355 -2.666 18.399 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.698 -3.068 16.034 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.092 -1.401 16.407 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.214 -1.777 17.116 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.604 -2.862 18.455 1.00 0.00 H new ATOM 648 N ASN A 44 -1.040 -2.464 14.232 1.00 0.00 N ATOM 649 CA ASN A 44 -1.150 -1.786 12.949 1.00 0.00 C ATOM 650 C ASN A 44 -2.559 -1.713 12.426 1.00 0.00 C ATOM 651 O ASN A 44 -3.364 -2.577 12.707 1.00 0.00 O ATOM 652 CB ASN A 44 -0.213 -2.392 11.937 1.00 0.00 C ATOM 653 CG ASN A 44 1.092 -1.647 11.895 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.258 -0.734 11.099 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.996 -1.986 12.746 1.00 0.00 N ATOM 0 H ASN A 44 -1.071 -3.482 14.176 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.849 -0.753 13.123 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.031 -3.438 12.186 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.677 -2.375 10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.886 -1.487 12.771 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.823 -2.753 13.396 1.00 0.00 H new ATOM 662 N PRO A 45 -2.871 -0.666 11.639 1.00 0.00 N ATOM 663 CA PRO A 45 -4.229 -0.414 11.135 1.00 0.00 C ATOM 664 C PRO A 45 -4.696 -1.441 10.098 1.00 0.00 C ATOM 665 O PRO A 45 -5.765 -2.012 10.209 1.00 0.00 O ATOM 666 CB PRO A 45 -4.098 0.967 10.481 1.00 0.00 C ATOM 667 CG PRO A 45 -2.663 1.071 10.104 1.00 0.00 C ATOM 668 CD PRO A 45 -1.921 0.382 11.186 1.00 0.00 C ATOM 0 HA PRO A 45 -4.969 -0.476 11.933 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.744 1.055 9.608 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.385 1.761 11.171 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.475 0.601 9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.354 2.113 10.017 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.989 -0.050 10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.661 1.066 11.994 1.00 0.00 H new ATOM 676 N PHE A 46 -3.879 -1.689 9.104 1.00 0.00 N ATOM 677 CA PHE A 46 -4.279 -2.567 8.017 1.00 0.00 C ATOM 678 C PHE A 46 -3.519 -3.857 8.083 1.00 0.00 C ATOM 679 O PHE A 46 -3.610 -4.705 7.202 1.00 0.00 O ATOM 680 CB PHE A 46 -4.077 -1.860 6.674 1.00 0.00 C ATOM 681 CG PHE A 46 -4.713 -0.500 6.658 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.075 -0.351 6.475 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.944 0.628 6.863 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.653 0.901 6.498 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.517 1.877 6.886 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.865 2.015 6.707 1.00 0.00 C ATOM 0 H PHE A 46 -2.939 -1.302 9.019 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.338 -2.805 8.116 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.010 -1.765 6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.501 -2.469 5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.692 -1.223 6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.878 0.528 7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.718 1.009 6.353 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.902 2.750 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.314 2.997 6.729 1.00 0.00 H new ATOM 696 N SER A 47 -2.790 -4.012 9.148 1.00 0.00 N ATOM 697 CA SER A 47 -2.027 -5.201 9.346 1.00 0.00 C ATOM 698 C SER A 47 -2.699 -6.037 10.413 1.00 0.00 C ATOM 699 O SER A 47 -2.414 -7.197 10.549 1.00 0.00 O ATOM 700 CB SER A 47 -0.603 -4.856 9.741 1.00 0.00 C ATOM 701 OG SER A 47 0.272 -5.969 9.665 1.00 0.00 O ATOM 0 H SER A 47 -2.710 -3.323 9.896 1.00 0.00 H new ATOM 0 HA SER A 47 -1.981 -5.771 8.418 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.232 -4.063 9.091 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.598 -4.464 10.758 1.00 0.00 H new ATOM 0 HG SER A 47 -0.227 -6.758 9.367 1.00 0.00 H new ATOM 782 N LYS A 53 2.404 -9.777 7.107 1.00 0.00 N ATOM 783 CA LYS A 53 3.046 -8.508 6.971 1.00 0.00 C ATOM 784 C LYS A 53 3.071 -8.108 5.504 1.00 0.00 C ATOM 785 O LYS A 53 2.738 -8.898 4.617 1.00 0.00 O ATOM 786 CB LYS A 53 4.484 -8.633 7.454 1.00 0.00 C ATOM 787 CG LYS A 53 4.670 -9.154 8.876 1.00 0.00 C ATOM 788 CD LYS A 53 4.359 -8.144 9.937 1.00 0.00 C ATOM 789 CE LYS A 53 5.221 -8.426 11.180 1.00 0.00 C ATOM 790 NZ LYS A 53 5.065 -9.807 11.704 1.00 0.00 N ATOM 0 HA LYS A 53 2.506 -7.762 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.019 -9.295 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.957 -7.653 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.032 -10.026 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.700 -9.489 8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.555 -7.138 9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.301 -8.187 10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.269 -8.255 10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.958 -7.716 11.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.563 -9.892 12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.055 -10.014 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.468 -10.484 11.025 1.00 0.00 H new ATOM 804 N GLY A 54 3.482 -6.911 5.254 1.00 0.00 N ATOM 805 CA GLY A 54 3.602 -6.426 3.905 1.00 0.00 C ATOM 806 C GLY A 54 3.291 -4.987 3.890 1.00 0.00 C ATOM 807 O GLY A 54 2.639 -4.545 4.760 1.00 0.00 O ATOM 0 H GLY A 54 3.746 -6.236 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.611 -6.598 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.921 -6.966 3.247 1.00 0.00 H new ATOM 811 N ILE A 55 3.800 -4.263 2.946 1.00 0.00 N ATOM 812 CA ILE A 55 3.565 -2.847 2.856 1.00 0.00 C ATOM 813 C ILE A 55 2.151 -2.592 2.385 1.00 0.00 C ATOM 814 O ILE A 55 1.730 -3.067 1.325 1.00 0.00 O ATOM 815 CB ILE A 55 4.594 -2.159 1.915 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.013 -2.361 2.441 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.296 -0.676 1.749 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.309 -1.635 3.691 1.00 0.00 C ATOM 0 H ILE A 55 4.396 -4.635 2.207 1.00 0.00 H new ATOM 0 HA ILE A 55 3.693 -2.413 3.848 1.00 0.00 H new ATOM 0 HB ILE A 55 4.510 -2.626 0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.178 -3.426 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.720 -2.044 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.035 -0.228 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.301 -0.550 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.338 -0.185 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.337 -1.835 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.180 -0.565 3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.629 -1.968 4.475 1.00 0.00 H new ATOM 830 N TYR A 56 1.419 -1.914 3.200 1.00 0.00 N ATOM 831 CA TYR A 56 0.068 -1.553 2.908 1.00 0.00 C ATOM 832 C TYR A 56 -0.050 -0.071 2.853 1.00 0.00 C ATOM 833 O TYR A 56 0.723 0.643 3.503 1.00 0.00 O ATOM 834 CB TYR A 56 -0.905 -2.144 3.949 1.00 0.00 C ATOM 835 CG TYR A 56 -0.292 -2.213 5.322 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.176 -1.097 6.140 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.250 -3.388 5.752 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.458 -1.183 7.363 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.897 -3.488 6.946 1.00 0.00 C ATOM 840 CZ TYR A 56 0.997 -2.381 7.761 1.00 0.00 C ATOM 841 OH TYR A 56 1.681 -2.461 8.946 1.00 0.00 O ATOM 0 H TYR A 56 1.747 -1.586 4.109 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.204 -1.968 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.809 -1.536 3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.206 -3.144 3.636 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.586 -0.152 5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.164 -4.265 5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.529 -0.315 8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.329 -4.429 7.253 1.00 0.00 H new ATOM 0 HH TYR A 56 1.557 -1.631 9.452 1.00 0.00 H new ATOM 851 N VAL A 57 -0.975 0.386 2.076 1.00 0.00 N ATOM 852 CA VAL A 57 -1.232 1.792 1.939 1.00 0.00 C ATOM 853 C VAL A 57 -2.107 2.269 3.081 1.00 0.00 C ATOM 854 O VAL A 57 -3.139 1.651 3.380 1.00 0.00 O ATOM 855 CB VAL A 57 -1.906 2.100 0.588 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.224 3.561 0.446 1.00 0.00 C ATOM 857 CG2 VAL A 57 -1.015 1.661 -0.536 1.00 0.00 C ATOM 0 H VAL A 57 -1.583 -0.207 1.510 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.280 2.321 1.971 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.846 1.549 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.698 3.738 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.901 3.865 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.304 4.142 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.496 1.881 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.066 2.194 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.835 0.589 -0.460 1.00 0.00 H new ATOM 867 N THR A 58 -1.699 3.336 3.720 1.00 0.00 N ATOM 868 CA THR A 58 -2.415 3.869 4.835 1.00 0.00 C ATOM 869 C THR A 58 -3.198 5.090 4.427 1.00 0.00 C ATOM 870 O THR A 58 -4.223 5.416 5.018 1.00 0.00 O ATOM 871 CB THR A 58 -1.427 4.230 5.924 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.300 4.860 5.296 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.985 2.986 6.674 1.00 0.00 C ATOM 0 H THR A 58 -0.857 3.856 3.475 1.00 0.00 H new ATOM 0 HA THR A 58 -3.117 3.121 5.203 1.00 0.00 H new ATOM 0 HB THR A 58 -1.888 4.904 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.423 4.963 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.275 3.264 7.453 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.853 2.507 7.128 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.509 2.293 5.980 1.00 0.00 H new ATOM 881 N ARG A 59 -2.711 5.759 3.415 1.00 0.00 N ATOM 882 CA ARG A 59 -3.325 6.946 2.906 1.00 0.00 C ATOM 883 C ARG A 59 -3.166 6.980 1.425 1.00 0.00 C ATOM 884 O ARG A 59 -2.123 6.639 0.927 1.00 0.00 O ATOM 885 CB ARG A 59 -2.667 8.175 3.521 1.00 0.00 C ATOM 886 CG ARG A 59 -3.100 8.465 4.950 1.00 0.00 C ATOM 887 CD ARG A 59 -2.341 9.623 5.572 1.00 0.00 C ATOM 888 NE ARG A 59 -2.758 9.835 6.971 1.00 0.00 N ATOM 889 CZ ARG A 59 -1.973 10.301 7.955 1.00 0.00 C ATOM 890 NH1 ARG A 59 -0.735 10.716 7.692 1.00 0.00 N ATOM 891 NH2 ARG A 59 -2.443 10.377 9.194 1.00 0.00 N ATOM 0 H ARG A 59 -1.864 5.486 2.917 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.384 6.947 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.585 8.042 3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.893 9.043 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.167 8.687 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.953 7.572 5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.270 9.423 5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.517 10.530 4.994 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.723 9.609 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.377 10.681 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.145 11.069 8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.398 10.082 9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.849 10.731 9.944 1.00 0.00 H new ATOM 905 N VAL A 60 -4.181 7.366 0.729 1.00 0.00 N ATOM 906 CA VAL A 60 -4.128 7.461 -0.701 1.00 0.00 C ATOM 907 C VAL A 60 -4.313 8.892 -1.095 1.00 0.00 C ATOM 908 O VAL A 60 -5.013 9.631 -0.403 1.00 0.00 O ATOM 909 CB VAL A 60 -5.145 6.495 -1.422 1.00 0.00 C ATOM 910 CG1 VAL A 60 -5.490 6.917 -2.825 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.583 5.105 -1.439 1.00 0.00 C ATOM 0 H VAL A 60 -5.080 7.628 1.134 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.148 7.123 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.073 6.535 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.194 6.205 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.943 7.908 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.584 6.944 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.284 4.435 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.635 5.102 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.421 4.765 -0.416 1.00 0.00 H new ATOM 921 N SER A 61 -3.620 9.278 -2.152 1.00 0.00 N ATOM 922 CA SER A 61 -3.649 10.607 -2.715 1.00 0.00 C ATOM 923 C SER A 61 -5.104 11.079 -2.812 1.00 0.00 C ATOM 924 O SER A 61 -5.893 10.497 -3.542 1.00 0.00 O ATOM 925 CB SER A 61 -3.020 10.526 -4.101 1.00 0.00 C ATOM 926 OG SER A 61 -2.499 11.755 -4.544 1.00 0.00 O ATOM 0 H SER A 61 -2.999 8.646 -2.658 1.00 0.00 H new ATOM 0 HA SER A 61 -3.099 11.315 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.222 9.784 -4.088 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.768 10.178 -4.813 1.00 0.00 H new ATOM 0 HG SER A 61 -1.927 12.138 -3.846 1.00 0.00 H new ATOM 932 N GLU A 62 -5.423 12.096 -2.032 1.00 0.00 N ATOM 933 CA GLU A 62 -6.782 12.665 -1.872 1.00 0.00 C ATOM 934 C GLU A 62 -7.428 13.152 -3.185 1.00 0.00 C ATOM 935 O GLU A 62 -8.637 13.376 -3.254 1.00 0.00 O ATOM 936 CB GLU A 62 -6.715 13.815 -0.872 1.00 0.00 C ATOM 937 CG GLU A 62 -5.713 14.890 -1.277 1.00 0.00 C ATOM 938 CD GLU A 62 -5.647 16.043 -0.328 1.00 0.00 C ATOM 939 OE1 GLU A 62 -6.387 17.027 -0.527 1.00 0.00 O ATOM 940 OE2 GLU A 62 -4.817 16.017 0.604 1.00 0.00 O ATOM 0 H GLU A 62 -4.727 12.579 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.421 11.857 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.703 14.264 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.445 13.423 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.724 14.440 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.974 15.262 -2.268 1.00 0.00 H new ATOM 947 N GLY A 63 -6.629 13.343 -4.173 1.00 0.00 N ATOM 948 CA GLY A 63 -7.082 13.786 -5.453 1.00 0.00 C ATOM 949 C GLY A 63 -5.947 13.692 -6.381 1.00 0.00 C ATOM 950 O GLY A 63 -5.644 14.618 -7.129 1.00 0.00 O ATOM 0 H GLY A 63 -5.621 13.194 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.912 13.171 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.447 14.812 -5.397 1.00 0.00 H new ATOM 954 N GLY A 64 -5.293 12.569 -6.311 1.00 0.00 N ATOM 955 CA GLY A 64 -4.104 12.381 -7.050 1.00 0.00 C ATOM 956 C GLY A 64 -4.089 11.091 -7.799 1.00 0.00 C ATOM 957 O GLY A 64 -5.101 10.380 -7.826 1.00 0.00 O ATOM 0 H GLY A 64 -5.575 11.771 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.984 13.206 -7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.251 12.413 -6.372 1.00 0.00 H new ATOM 961 N PRO A 65 -2.907 10.690 -8.282 1.00 0.00 N ATOM 962 CA PRO A 65 -2.745 9.560 -9.197 1.00 0.00 C ATOM 963 C PRO A 65 -3.122 8.239 -8.556 1.00 0.00 C ATOM 964 O PRO A 65 -3.585 7.325 -9.225 1.00 0.00 O ATOM 965 CB PRO A 65 -1.249 9.575 -9.517 1.00 0.00 C ATOM 966 CG PRO A 65 -0.620 10.269 -8.362 1.00 0.00 C ATOM 967 CD PRO A 65 -1.608 11.277 -7.905 1.00 0.00 C ATOM 0 HA PRO A 65 -3.389 9.653 -10.071 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.859 8.564 -9.631 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.050 10.101 -10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.384 9.564 -7.565 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.316 10.745 -8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.541 11.444 -6.830 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.449 12.241 -8.388 1.00 0.00 H new ATOM 975 N ALA A 66 -2.940 8.163 -7.247 1.00 0.00 N ATOM 976 CA ALA A 66 -3.232 6.972 -6.497 1.00 0.00 C ATOM 977 C ALA A 66 -4.703 6.593 -6.605 1.00 0.00 C ATOM 978 O ALA A 66 -5.023 5.511 -7.116 1.00 0.00 O ATOM 979 CB ALA A 66 -2.779 7.128 -5.064 1.00 0.00 C ATOM 0 H ALA A 66 -2.584 8.934 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.670 6.144 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.007 6.218 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.704 7.308 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.298 7.971 -4.608 1.00 0.00 H new ATOM 985 N GLU A 67 -5.605 7.483 -6.189 1.00 0.00 N ATOM 986 CA GLU A 67 -7.034 7.174 -6.305 1.00 0.00 C ATOM 987 C GLU A 67 -7.479 7.120 -7.754 1.00 0.00 C ATOM 988 O GLU A 67 -8.353 6.342 -8.100 1.00 0.00 O ATOM 989 CB GLU A 67 -7.939 8.110 -5.508 1.00 0.00 C ATOM 990 CG GLU A 67 -7.770 9.595 -5.781 1.00 0.00 C ATOM 991 CD GLU A 67 -8.959 10.363 -5.292 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.272 10.284 -4.088 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.620 11.042 -6.109 1.00 0.00 O ATOM 0 H GLU A 67 -5.386 8.392 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.145 6.185 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.975 7.840 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.765 7.934 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.868 9.960 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.639 9.760 -6.850 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.856 7.937 -8.591 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.145 7.965 -10.020 1.00 0.00 C ATOM 1002 C ILE A 68 -6.909 6.599 -10.652 1.00 0.00 C ATOM 1003 O ILE A 68 -7.750 6.087 -11.395 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.292 9.053 -10.739 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.762 10.461 -10.359 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.255 8.875 -12.253 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.212 10.750 -10.685 1.00 0.00 C ATOM 0 H ILE A 68 -6.136 8.599 -8.300 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.198 8.219 -10.141 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.268 8.925 -10.389 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.608 10.605 -9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.135 11.190 -10.873 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.646 9.662 -12.697 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.824 7.903 -12.495 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.268 8.932 -12.651 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.457 11.768 -10.382 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.372 10.642 -11.758 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.852 10.048 -10.150 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.788 6.006 -10.346 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.468 4.717 -10.891 1.00 0.00 C ATOM 1021 C ALA A 69 -6.311 3.613 -10.251 1.00 0.00 C ATOM 1022 O ALA A 69 -6.781 2.707 -10.944 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.001 4.437 -10.749 1.00 0.00 C ATOM 0 H ALA A 69 -5.081 6.395 -9.722 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.711 4.730 -11.954 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.776 3.456 -11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.432 5.198 -11.283 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.728 4.453 -9.694 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.510 3.690 -8.945 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.332 2.696 -8.275 1.00 0.00 C ATOM 1031 C GLY A 70 -6.711 2.173 -6.999 1.00 0.00 C ATOM 1032 O GLY A 70 -7.063 1.086 -6.525 1.00 0.00 O ATOM 0 H GLY A 70 -6.123 4.414 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.304 3.132 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.509 1.862 -8.954 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.789 2.928 -6.447 1.00 0.00 N ATOM 1037 CA LEU A 71 -5.127 2.553 -5.215 1.00 0.00 C ATOM 1038 C LEU A 71 -6.027 2.878 -4.060 1.00 0.00 C ATOM 1039 O LEU A 71 -6.519 4.003 -3.951 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.756 3.264 -5.110 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.853 2.968 -3.898 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -3.042 1.520 -3.446 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.439 3.076 -4.380 1.00 0.00 C ATOM 0 H LEU A 71 -5.476 3.817 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.930 1.481 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.190 3.022 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.940 4.338 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.088 3.653 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.400 1.320 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.083 1.359 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.779 0.847 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.757 2.874 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.270 2.351 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.260 4.082 -4.761 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.288 1.895 -3.233 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.157 2.064 -2.123 1.00 0.00 C ATOM 1057 C GLN A 72 -6.379 1.918 -0.841 1.00 0.00 C ATOM 1058 O GLN A 72 -5.339 1.259 -0.783 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.295 1.035 -2.177 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.106 1.080 -3.463 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.894 2.357 -3.621 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -9.260 3.380 -4.118 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -11.069 2.436 -3.230 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.896 0.957 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.593 3.062 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.875 0.036 -2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.963 1.202 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.434 0.967 -4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.791 0.232 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.535 1.614 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.569 3.323 -3.293 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.839 2.582 0.149 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.280 2.484 1.461 1.00 0.00 C ATOM 1074 C ILE A 73 -6.578 1.086 2.026 1.00 0.00 C ATOM 1075 O ILE A 73 -7.713 0.594 1.922 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.869 3.580 2.381 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.512 4.972 1.850 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.399 3.413 3.803 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -7.020 6.110 2.704 1.00 0.00 C ATOM 0 H ILE A 73 -7.629 3.224 0.080 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.201 2.632 1.411 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.954 3.475 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.428 5.050 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.916 5.079 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.831 4.198 4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.714 2.440 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.312 3.480 3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.724 7.060 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.107 6.061 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.595 6.031 3.705 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.570 0.441 2.581 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.747 -0.890 3.114 1.00 0.00 C ATOM 1093 C GLY A 74 -5.353 -1.964 2.126 1.00 0.00 C ATOM 1094 O GLY A 74 -5.603 -3.165 2.354 1.00 0.00 O ATOM 0 H GLY A 74 -4.626 0.817 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.151 -0.998 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.790 -1.028 3.400 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.761 -1.554 1.024 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.304 -2.479 0.012 1.00 0.00 C ATOM 1100 C ASP A 75 -2.942 -2.985 0.366 1.00 0.00 C ATOM 1101 O ASP A 75 -2.040 -2.184 0.657 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.268 -1.824 -1.379 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.593 -1.873 -2.128 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.351 -2.867 -1.974 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.890 -0.935 -2.904 1.00 0.00 O ATOM 0 H ASP A 75 -4.584 -0.573 0.806 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.009 -3.309 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.964 -0.783 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.505 -2.318 -1.981 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.784 -4.302 0.411 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.478 -4.868 0.632 1.00 0.00 C ATOM 1112 C LYS A 76 -0.818 -4.991 -0.700 1.00 0.00 C ATOM 1113 O LYS A 76 -1.313 -5.704 -1.596 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.475 -6.236 1.339 1.00 0.00 C ATOM 1115 CG LYS A 76 -1.995 -6.252 2.770 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.488 -7.501 3.497 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.115 -7.684 4.874 1.00 0.00 C ATOM 1118 NZ LYS A 76 -3.541 -8.052 4.766 1.00 0.00 N ATOM 0 H LYS A 76 -3.537 -4.981 0.298 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.945 -4.201 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.075 -6.929 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.455 -6.619 1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.665 -5.356 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.085 -6.238 2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.699 -8.380 2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.405 -7.439 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.577 -8.458 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.017 -6.762 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.903 -8.318 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.082 -7.241 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.644 -8.856 4.114 1.00 0.00 H new ATOM 1132 N ILE A 77 0.243 -4.300 -0.850 1.00 0.00 N ATOM 1133 CA ILE A 77 0.940 -4.231 -2.081 1.00 0.00 C ATOM 1134 C ILE A 77 1.857 -5.446 -2.192 1.00 0.00 C ATOM 1135 O ILE A 77 2.413 -5.887 -1.202 1.00 0.00 O ATOM 1136 CB ILE A 77 1.758 -2.940 -2.107 1.00 0.00 C ATOM 1137 CG1 ILE A 77 0.859 -1.778 -1.691 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.289 -2.700 -3.507 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.597 -0.637 -1.087 1.00 0.00 C ATOM 0 H ILE A 77 0.666 -3.750 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 77 0.246 -4.231 -2.921 1.00 0.00 H new ATOM 0 HB ILE A 77 2.599 -3.021 -1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.311 -1.423 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.120 -2.140 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.872 -1.779 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.923 -3.535 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.454 -2.613 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.893 0.150 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.123 -0.975 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.317 -0.248 -1.807 1.00 0.00 H new ATOM 1151 N MET A 78 1.974 -6.004 -3.369 1.00 0.00 N ATOM 1152 CA MET A 78 2.816 -7.164 -3.591 1.00 0.00 C ATOM 1153 C MET A 78 3.885 -6.822 -4.620 1.00 0.00 C ATOM 1154 O MET A 78 4.940 -7.448 -4.680 1.00 0.00 O ATOM 1155 CB MET A 78 1.977 -8.356 -4.097 1.00 0.00 C ATOM 1156 CG MET A 78 0.841 -8.859 -3.173 1.00 0.00 C ATOM 1157 SD MET A 78 1.342 -9.960 -1.792 1.00 0.00 S ATOM 1158 CE MET A 78 2.207 -8.879 -0.648 1.00 0.00 C ATOM 0 H MET A 78 1.491 -5.672 -4.204 1.00 0.00 H new ATOM 0 HA MET A 78 3.284 -7.443 -2.647 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.537 -8.078 -5.055 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.653 -9.190 -4.287 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.333 -7.991 -2.752 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.111 -9.389 -3.785 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.309 -9.377 0.316 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.196 -8.647 -1.044 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.641 -7.956 -0.521 1.00 0.00 H new ATOM 1168 N GLN A 79 3.636 -5.799 -5.397 1.00 0.00 N ATOM 1169 CA GLN A 79 4.539 -5.433 -6.452 1.00 0.00 C ATOM 1170 C GLN A 79 4.560 -3.917 -6.549 1.00 0.00 C ATOM 1171 O GLN A 79 3.529 -3.298 -6.433 1.00 0.00 O ATOM 1172 CB GLN A 79 4.061 -6.038 -7.788 1.00 0.00 C ATOM 1173 CG GLN A 79 5.174 -6.462 -8.742 1.00 0.00 C ATOM 1174 CD GLN A 79 6.145 -5.366 -9.018 1.00 0.00 C ATOM 1175 OE1 GLN A 79 7.101 -5.205 -8.321 1.00 0.00 O ATOM 1176 NE2 GLN A 79 5.920 -4.589 -9.971 1.00 0.00 N ATOM 0 H GLN A 79 2.811 -5.204 -5.316 1.00 0.00 H new ATOM 0 HA GLN A 79 5.539 -5.812 -6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.437 -6.906 -7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.429 -5.308 -8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.705 -7.314 -8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.734 -6.797 -9.681 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.102 -4.732 -10.563 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.555 -3.812 -10.157 1.00 0.00 H new ATOM 1185 N VAL A 80 5.726 -3.350 -6.739 1.00 0.00 N ATOM 1186 CA VAL A 80 5.920 -1.918 -6.882 1.00 0.00 C ATOM 1187 C VAL A 80 6.999 -1.673 -7.922 1.00 0.00 C ATOM 1188 O VAL A 80 8.068 -2.210 -7.803 1.00 0.00 O ATOM 1189 CB VAL A 80 6.351 -1.243 -5.523 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.904 0.172 -5.717 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.193 -1.204 -4.549 1.00 0.00 C ATOM 0 H VAL A 80 6.594 -3.882 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 80 4.972 -1.476 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 80 7.152 -1.860 -5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.185 0.589 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.780 0.135 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.141 0.801 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.515 -0.734 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.373 -0.630 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.856 -2.220 -4.344 1.00 0.00 H new ATOM 1201 N ASN A 81 6.635 -0.975 -8.986 1.00 0.00 N ATOM 1202 CA ASN A 81 7.544 -0.457 -10.032 1.00 0.00 C ATOM 1203 C ASN A 81 8.591 -1.500 -10.458 1.00 0.00 C ATOM 1204 O ASN A 81 9.794 -1.278 -10.378 1.00 0.00 O ATOM 1205 CB ASN A 81 8.207 0.828 -9.545 1.00 0.00 C ATOM 1206 CG ASN A 81 8.624 1.768 -10.664 1.00 0.00 C ATOM 1207 OD1 ASN A 81 9.617 2.479 -10.545 1.00 0.00 O ATOM 1208 ND2 ASN A 81 7.868 1.797 -11.744 1.00 0.00 N ATOM 0 H ASN A 81 5.660 -0.736 -9.165 1.00 0.00 H new ATOM 0 HA ASN A 81 6.951 -0.237 -10.919 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.519 1.352 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.086 0.570 -8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.102 2.424 -12.514 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.049 1.192 -11.810 1.00 0.00 H new ATOM 1215 N GLY A 82 8.074 -2.624 -10.896 1.00 0.00 N ATOM 1216 CA GLY A 82 8.854 -3.803 -11.296 1.00 0.00 C ATOM 1217 C GLY A 82 9.969 -4.264 -10.338 1.00 0.00 C ATOM 1218 O GLY A 82 10.974 -4.824 -10.785 1.00 0.00 O ATOM 0 H GLY A 82 7.068 -2.761 -10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.163 -4.634 -11.436 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.305 -3.597 -12.266 1.00 0.00 H new ATOM 1222 N TRP A 83 9.806 -4.043 -9.066 1.00 0.00 N ATOM 1223 CA TRP A 83 10.874 -4.374 -8.096 1.00 0.00 C ATOM 1224 C TRP A 83 10.543 -5.581 -7.176 1.00 0.00 C ATOM 1225 O TRP A 83 11.435 -6.150 -6.540 1.00 0.00 O ATOM 1226 CB TRP A 83 11.245 -3.092 -7.313 1.00 0.00 C ATOM 1227 CG TRP A 83 10.795 -2.970 -5.857 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.629 -2.449 -5.401 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.542 -3.324 -4.680 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.591 -2.467 -4.034 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.746 -3.003 -3.571 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.795 -3.890 -4.458 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.155 -3.219 -2.275 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.207 -4.107 -3.160 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.386 -3.774 -2.082 1.00 0.00 C ATOM 0 H TRP A 83 8.964 -3.641 -8.655 1.00 0.00 H new ATOM 0 HA TRP A 83 11.746 -4.719 -8.652 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.330 -2.993 -7.334 1.00 0.00 H new ATOM 0 HB3 TRP A 83 10.837 -2.241 -7.858 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.838 -2.071 -6.032 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.819 -2.132 -3.457 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.433 -4.154 -5.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.523 -2.958 -1.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.179 -4.541 -2.975 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.732 -3.959 -1.076 1.00 0.00 H new ATOM 1246 N ASP A 84 9.281 -5.987 -7.192 1.00 0.00 N ATOM 1247 CA ASP A 84 8.680 -7.042 -6.377 1.00 0.00 C ATOM 1248 C ASP A 84 8.732 -6.606 -4.945 1.00 0.00 C ATOM 1249 O ASP A 84 9.728 -6.780 -4.255 1.00 0.00 O ATOM 1250 CB ASP A 84 9.347 -8.381 -6.563 1.00 0.00 C ATOM 1251 CG ASP A 84 8.445 -9.550 -6.280 1.00 0.00 C ATOM 1252 OD1 ASP A 84 7.453 -9.727 -7.029 1.00 0.00 O ATOM 1253 OD2 ASP A 84 8.756 -10.370 -5.389 1.00 0.00 O ATOM 0 H ASP A 84 8.599 -5.559 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 84 7.648 -7.186 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.713 -8.455 -7.587 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.217 -8.438 -5.909 1.00 0.00 H new ATOM 1258 N MET A 85 7.675 -6.001 -4.511 1.00 0.00 N ATOM 1259 CA MET A 85 7.672 -5.344 -3.224 1.00 0.00 C ATOM 1260 C MET A 85 7.261 -6.292 -2.123 1.00 0.00 C ATOM 1261 O MET A 85 7.386 -5.969 -0.953 1.00 0.00 O ATOM 1262 CB MET A 85 6.713 -4.168 -3.236 1.00 0.00 C ATOM 1263 CG MET A 85 6.905 -3.212 -2.064 1.00 0.00 C ATOM 1264 SD MET A 85 5.364 -2.619 -1.397 1.00 0.00 S ATOM 1265 CE MET A 85 4.766 -4.147 -0.696 1.00 0.00 C ATOM 0 H MET A 85 6.795 -5.942 -5.023 1.00 0.00 H new ATOM 0 HA MET A 85 8.688 -4.998 -3.033 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.839 -3.617 -4.168 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.690 -4.544 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 85 7.466 -3.717 -1.277 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.506 -2.363 -2.389 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.823 -3.966 -0.180 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.610 -4.876 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.499 -4.534 0.012 1.00 0.00 H new ATOM 1275 N THR A 86 6.738 -7.437 -2.497 1.00 0.00 N ATOM 1276 CA THR A 86 6.280 -8.403 -1.522 1.00 0.00 C ATOM 1277 C THR A 86 7.407 -8.727 -0.516 1.00 0.00 C ATOM 1278 O THR A 86 8.567 -8.999 -0.912 1.00 0.00 O ATOM 1279 CB THR A 86 5.715 -9.690 -2.200 1.00 0.00 C ATOM 1280 OG1 THR A 86 5.170 -10.587 -1.219 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.788 -10.397 -2.987 1.00 0.00 C ATOM 0 H THR A 86 6.619 -7.723 -3.469 1.00 0.00 H new ATOM 0 HA THR A 86 5.452 -7.959 -0.969 1.00 0.00 H new ATOM 0 HB THR A 86 4.921 -9.383 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.820 -11.386 -1.665 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.370 -11.291 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.170 -9.731 -3.761 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.602 -10.681 -2.319 1.00 0.00 H new ATOM 1289 N MET A 87 7.058 -8.602 0.770 1.00 0.00 N ATOM 1290 CA MET A 87 7.965 -8.787 1.894 1.00 0.00 C ATOM 1291 C MET A 87 9.105 -7.735 1.882 1.00 0.00 C ATOM 1292 O MET A 87 10.145 -7.939 1.263 1.00 0.00 O ATOM 1293 CB MET A 87 8.525 -10.217 1.921 1.00 0.00 C ATOM 1294 CG MET A 87 9.263 -10.562 3.210 1.00 0.00 C ATOM 1295 SD MET A 87 9.868 -12.263 3.258 1.00 0.00 S ATOM 1296 CE MET A 87 8.330 -13.180 3.082 1.00 0.00 C ATOM 0 H MET A 87 6.109 -8.363 1.058 1.00 0.00 H new ATOM 0 HA MET A 87 7.393 -8.636 2.809 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.705 -10.922 1.783 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.204 -10.348 1.078 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.106 -9.881 3.331 1.00 0.00 H new ATOM 0 HG3 MET A 87 8.596 -10.397 4.057 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.362 -14.068 3.713 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.494 -12.550 3.385 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.201 -13.478 2.042 1.00 0.00 H new ATOM 1306 N VAL A 88 8.883 -6.599 2.540 1.00 0.00 N ATOM 1307 CA VAL A 88 9.873 -5.536 2.593 1.00 0.00 C ATOM 1308 C VAL A 88 9.581 -4.649 3.803 1.00 0.00 C ATOM 1309 O VAL A 88 8.434 -4.643 4.331 1.00 0.00 O ATOM 1310 CB VAL A 88 9.855 -4.677 1.280 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.547 -3.957 1.097 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.003 -3.698 1.240 1.00 0.00 C ATOM 0 H VAL A 88 8.021 -6.395 3.045 1.00 0.00 H new ATOM 0 HA VAL A 88 10.864 -5.981 2.684 1.00 0.00 H new ATOM 0 HB VAL A 88 9.972 -5.375 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.578 -3.375 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.737 -4.684 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.377 -3.290 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.957 -3.121 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.935 -3.023 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.947 -4.242 1.282 1.00 0.00 H new ATOM 1322 N THR A 89 10.597 -3.972 4.294 1.00 0.00 N ATOM 1323 CA THR A 89 10.459 -3.052 5.374 1.00 0.00 C ATOM 1324 C THR A 89 9.813 -1.785 4.895 1.00 0.00 C ATOM 1325 O THR A 89 9.802 -1.492 3.699 1.00 0.00 O ATOM 1326 CB THR A 89 11.828 -2.688 5.991 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.762 -2.446 4.947 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.346 -3.763 6.912 1.00 0.00 C ATOM 0 H THR A 89 11.550 -4.055 3.941 1.00 0.00 H new ATOM 0 HA THR A 89 9.842 -3.537 6.131 1.00 0.00 H new ATOM 0 HB THR A 89 11.696 -1.790 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.510 -3.075 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.310 -3.459 7.320 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.639 -3.915 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.464 -4.693 6.356 1.00 0.00 H new ATOM 1336 N HIS A 90 9.267 -1.056 5.830 1.00 0.00 N ATOM 1337 CA HIS A 90 8.702 0.257 5.575 1.00 0.00 C ATOM 1338 C HIS A 90 9.769 1.128 4.924 1.00 0.00 C ATOM 1339 O HIS A 90 9.536 1.721 3.899 1.00 0.00 O ATOM 1340 CB HIS A 90 8.249 0.871 6.910 1.00 0.00 C ATOM 1341 CG HIS A 90 7.555 2.206 6.833 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.209 2.381 7.042 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.044 3.431 6.560 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.921 3.664 6.875 1.00 0.00 C ATOM 1345 NE2 HIS A 90 7.003 4.355 6.585 1.00 0.00 N ATOM 0 H HIS A 90 9.197 -1.353 6.803 1.00 0.00 H new ATOM 0 HA HIS A 90 7.843 0.185 4.908 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.578 0.165 7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.124 0.977 7.551 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.079 3.660 6.354 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.931 4.086 6.965 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.066 5.359 6.414 1.00 0.00 H new ATOM 1353 N ASP A 91 10.953 1.094 5.505 1.00 0.00 N ATOM 1354 CA ASP A 91 12.098 1.902 5.077 1.00 0.00 C ATOM 1355 C ASP A 91 12.464 1.646 3.622 1.00 0.00 C ATOM 1356 O ASP A 91 12.562 2.576 2.815 1.00 0.00 O ATOM 1357 CB ASP A 91 13.295 1.566 5.950 1.00 0.00 C ATOM 1358 CG ASP A 91 14.458 2.498 5.714 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.493 3.585 6.344 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.353 2.185 4.913 1.00 0.00 O ATOM 0 H ASP A 91 11.158 0.495 6.304 1.00 0.00 H new ATOM 0 HA ASP A 91 11.822 2.952 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.001 1.614 6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.609 0.541 5.753 1.00 0.00 H new ATOM 1365 N GLN A 92 12.608 0.379 3.287 1.00 0.00 N ATOM 1366 CA GLN A 92 13.028 -0.023 1.961 1.00 0.00 C ATOM 1367 C GLN A 92 11.940 0.220 0.920 1.00 0.00 C ATOM 1368 O GLN A 92 12.231 0.522 -0.238 1.00 0.00 O ATOM 1369 CB GLN A 92 13.508 -1.481 1.961 1.00 0.00 C ATOM 1370 CG GLN A 92 15.040 -1.664 2.049 1.00 0.00 C ATOM 1371 CD GLN A 92 15.718 -1.087 3.308 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.862 -0.639 3.247 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.079 -1.150 4.437 1.00 0.00 N ATOM 0 H GLN A 92 12.437 -0.398 3.925 1.00 0.00 H new ATOM 0 HA GLN A 92 13.873 0.604 1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.046 -2.000 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.151 -1.965 1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.262 -2.730 1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.492 -1.201 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.131 -1.525 4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.525 -0.824 5.294 1.00 0.00 H new ATOM 1382 N ALA A 93 10.699 0.114 1.344 1.00 0.00 N ATOM 1383 CA ALA A 93 9.570 0.366 0.477 1.00 0.00 C ATOM 1384 C ALA A 93 9.408 1.852 0.220 1.00 0.00 C ATOM 1385 O ALA A 93 9.165 2.272 -0.912 1.00 0.00 O ATOM 1386 CB ALA A 93 8.318 -0.189 1.085 1.00 0.00 C ATOM 0 H ALA A 93 10.446 -0.148 2.296 1.00 0.00 H new ATOM 0 HA ALA A 93 9.754 -0.130 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.474 0.007 0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.427 -1.264 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.140 0.286 2.050 1.00 0.00 H new ATOM 1392 N ARG A 94 9.565 2.644 1.282 1.00 0.00 N ATOM 1393 CA ARG A 94 9.460 4.111 1.235 1.00 0.00 C ATOM 1394 C ARG A 94 10.309 4.679 0.126 1.00 0.00 C ATOM 1395 O ARG A 94 9.849 5.457 -0.698 1.00 0.00 O ATOM 1396 CB ARG A 94 9.897 4.715 2.577 1.00 0.00 C ATOM 1397 CG ARG A 94 8.856 4.693 3.661 1.00 0.00 C ATOM 1398 CD ARG A 94 7.767 5.706 3.412 1.00 0.00 C ATOM 1399 NE ARG A 94 8.273 7.088 3.549 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.514 8.192 3.609 1.00 0.00 C ATOM 1401 NH1 ARG A 94 6.204 8.088 3.722 1.00 0.00 N ATOM 1402 NH2 ARG A 94 8.085 9.395 3.606 1.00 0.00 N ATOM 0 H ARG A 94 9.772 2.284 2.214 1.00 0.00 H new ATOM 0 HA ARG A 94 8.419 4.368 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.777 4.176 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.202 5.748 2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.418 3.697 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.328 4.896 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.358 5.564 2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.950 5.545 4.116 1.00 0.00 H new ATOM 0 HE ARG A 94 9.284 7.212 3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.767 7.167 3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.628 8.928 3.768 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.101 9.477 3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.507 10.234 3.652 1.00 0.00 H new ATOM 1416 N LYS A 95 11.489 4.178 0.024 1.00 0.00 N ATOM 1417 CA LYS A 95 12.448 4.651 -0.929 1.00 0.00 C ATOM 1418 C LYS A 95 12.243 3.997 -2.276 1.00 0.00 C ATOM 1419 O LYS A 95 13.164 3.855 -3.036 1.00 0.00 O ATOM 1420 CB LYS A 95 13.873 4.435 -0.417 1.00 0.00 C ATOM 1421 CG LYS A 95 14.218 5.249 0.831 1.00 0.00 C ATOM 1422 CD LYS A 95 14.109 6.765 0.597 1.00 0.00 C ATOM 1423 CE LYS A 95 15.106 7.273 -0.450 1.00 0.00 C ATOM 1424 NZ LYS A 95 16.505 7.072 -0.029 1.00 0.00 N ATOM 0 H LYS A 95 11.828 3.414 0.608 1.00 0.00 H new ATOM 0 HA LYS A 95 12.298 5.723 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.012 3.376 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.575 4.691 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 95 13.551 4.962 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.232 5.006 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.096 7.007 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.279 7.287 1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.934 6.756 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.931 8.334 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.141 7.549 -0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.642 7.471 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.720 6.055 -0.012 1.00 0.00 H new ATOM 1438 N ARG A 96 11.015 3.635 -2.564 1.00 0.00 N ATOM 1439 CA ARG A 96 10.659 3.121 -3.857 1.00 0.00 C ATOM 1440 C ARG A 96 9.278 3.620 -4.248 1.00 0.00 C ATOM 1441 O ARG A 96 9.059 4.017 -5.379 1.00 0.00 O ATOM 1442 CB ARG A 96 10.713 1.586 -3.943 1.00 0.00 C ATOM 1443 CG ARG A 96 10.527 1.082 -5.374 1.00 0.00 C ATOM 1444 CD ARG A 96 11.732 1.442 -6.240 1.00 0.00 C ATOM 1445 NE ARG A 96 11.437 1.429 -7.676 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.112 0.726 -8.600 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.998 -0.202 -8.239 1.00 0.00 N ATOM 1448 NH2 ARG A 96 11.878 0.940 -9.889 1.00 0.00 N ATOM 0 H ARG A 96 10.238 3.690 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 96 11.406 3.493 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.670 1.235 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.938 1.160 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.389 0.001 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.624 1.516 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.090 2.432 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.541 0.740 -6.036 1.00 0.00 H new ATOM 0 HE ARG A 96 10.656 2.000 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.170 -0.386 -7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.504 -0.729 -8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.188 1.636 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.388 0.409 -10.595 1.00 0.00 H new ATOM 1462 N LEU A 97 8.360 3.606 -3.306 1.00 0.00 N ATOM 1463 CA LEU A 97 6.988 4.032 -3.586 1.00 0.00 C ATOM 1464 C LEU A 97 6.698 5.492 -3.241 1.00 0.00 C ATOM 1465 O LEU A 97 5.676 6.018 -3.619 1.00 0.00 O ATOM 1466 CB LEU A 97 6.006 3.095 -2.916 1.00 0.00 C ATOM 1467 CG LEU A 97 6.319 2.728 -1.476 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.180 3.898 -0.519 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.488 1.586 -1.052 1.00 0.00 C ATOM 0 H LEU A 97 8.527 3.309 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 97 6.864 3.975 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.017 3.552 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.952 2.177 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 97 7.369 2.438 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.417 3.570 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.866 4.692 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.157 4.273 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.720 1.331 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.434 1.853 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.694 0.728 -1.692 1.00 0.00 H new ATOM 1481 N THR A 98 7.535 6.098 -2.435 1.00 0.00 N ATOM 1482 CA THR A 98 7.377 7.536 -2.171 1.00 0.00 C ATOM 1483 C THR A 98 8.673 8.292 -2.493 1.00 0.00 C ATOM 1484 O THR A 98 8.853 9.464 -2.103 1.00 0.00 O ATOM 1485 CB THR A 98 6.863 7.841 -0.718 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.612 9.241 -0.550 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.856 7.417 0.311 1.00 0.00 C ATOM 0 H THR A 98 8.315 5.648 -1.956 1.00 0.00 H new ATOM 0 HA THR A 98 6.597 7.900 -2.840 1.00 0.00 H new ATOM 0 HB THR A 98 5.940 7.277 -0.585 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.315 9.756 -0.998 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.469 7.642 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.034 6.345 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.792 7.953 0.156 1.00 0.00 H new ATOM 1495 N LYS A 99 9.577 7.614 -3.199 1.00 0.00 N ATOM 1496 CA LYS A 99 10.775 8.266 -3.714 1.00 0.00 C ATOM 1497 C LYS A 99 10.381 9.235 -4.849 1.00 0.00 C ATOM 1498 O LYS A 99 9.227 9.302 -5.238 1.00 0.00 O ATOM 1499 CB LYS A 99 11.790 7.247 -4.245 1.00 0.00 C ATOM 1500 CG LYS A 99 11.307 6.461 -5.457 1.00 0.00 C ATOM 1501 CD LYS A 99 12.470 6.026 -6.341 1.00 0.00 C ATOM 1502 CE LYS A 99 13.435 5.086 -5.643 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.590 4.715 -6.491 1.00 0.00 N ATOM 0 H LYS A 99 9.502 6.622 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 99 11.242 8.811 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.710 7.770 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.038 6.547 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.753 5.583 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.617 7.073 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.077 5.536 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.013 6.910 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.798 5.558 -4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.903 4.182 -5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.043 3.862 -6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.263 4.526 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.277 5.496 -6.504 1.00 0.00 H new ATOM 1517 N ARG A 100 11.341 9.933 -5.403 1.00 0.00 N ATOM 1518 CA ARG A 100 11.039 10.913 -6.432 1.00 0.00 C ATOM 1519 C ARG A 100 11.944 10.755 -7.632 1.00 0.00 C ATOM 1520 O ARG A 100 11.933 11.577 -8.549 1.00 0.00 O ATOM 1521 CB ARG A 100 11.150 12.321 -5.868 1.00 0.00 C ATOM 1522 CG ARG A 100 12.496 12.634 -5.258 1.00 0.00 C ATOM 1523 CD ARG A 100 12.571 14.070 -4.751 1.00 0.00 C ATOM 1524 NE ARG A 100 12.189 15.059 -5.778 1.00 0.00 N ATOM 1525 CZ ARG A 100 11.800 16.316 -5.526 1.00 0.00 C ATOM 1526 NH1 ARG A 100 11.869 16.806 -4.295 1.00 0.00 N ATOM 1527 NH2 ARG A 100 11.380 17.086 -6.516 1.00 0.00 N ATOM 0 H ARG A 100 12.329 9.847 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 100 10.015 10.742 -6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.948 13.037 -6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.378 12.460 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.689 11.948 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.278 12.470 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.917 14.180 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.586 14.278 -4.412 1.00 0.00 H new ATOM 0 HE ARG A 100 12.224 14.763 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.220 16.225 -3.534 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.571 17.764 -4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.353 16.722 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.083 18.043 -6.327 1.00 0.00 H new ATOM 1541 N SER A 101 12.741 9.725 -7.617 1.00 0.00 N ATOM 1542 CA SER A 101 13.632 9.443 -8.706 1.00 0.00 C ATOM 1543 C SER A 101 12.836 8.873 -9.883 1.00 0.00 C ATOM 1544 O SER A 101 13.041 9.254 -11.047 1.00 0.00 O ATOM 1545 CB SER A 101 14.667 8.457 -8.226 1.00 0.00 C ATOM 1546 OG SER A 101 15.311 8.938 -7.064 1.00 0.00 O ATOM 0 H SER A 101 12.791 9.056 -6.848 1.00 0.00 H new ATOM 0 HA SER A 101 14.130 10.352 -9.044 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.193 7.498 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.403 8.283 -9.011 1.00 0.00 H new ATOM 0 HG SER A 101 15.978 8.285 -6.766 1.00 0.00 H new ATOM 1552 N GLU A 102 11.906 7.999 -9.569 1.00 0.00 N ATOM 1553 CA GLU A 102 11.065 7.389 -10.565 1.00 0.00 C ATOM 1554 C GLU A 102 9.756 8.128 -10.635 1.00 0.00 C ATOM 1555 O GLU A 102 9.229 8.564 -9.618 1.00 0.00 O ATOM 1556 CB GLU A 102 10.839 5.879 -10.322 1.00 0.00 C ATOM 1557 CG GLU A 102 12.034 4.961 -10.655 1.00 0.00 C ATOM 1558 CD GLU A 102 13.221 5.074 -9.716 1.00 0.00 C ATOM 1559 OE1 GLU A 102 14.074 5.959 -9.898 1.00 0.00 O ATOM 1560 OE2 GLU A 102 13.341 4.245 -8.795 1.00 0.00 O ATOM 0 H GLU A 102 11.714 7.693 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 102 11.580 7.463 -11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.574 5.734 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.982 5.559 -10.915 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.688 3.927 -10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.370 5.183 -11.668 1.00 0.00 H new ATOM 1567 N GLU A 103 9.281 8.306 -11.833 1.00 0.00 N ATOM 1568 CA GLU A 103 8.070 9.040 -12.094 1.00 0.00 C ATOM 1569 C GLU A 103 6.804 8.179 -12.038 1.00 0.00 C ATOM 1570 O GLU A 103 5.929 8.410 -11.225 1.00 0.00 O ATOM 1571 CB GLU A 103 8.160 9.850 -13.416 1.00 0.00 C ATOM 1572 CG GLU A 103 8.781 9.134 -14.628 1.00 0.00 C ATOM 1573 CD GLU A 103 10.287 8.997 -14.541 1.00 0.00 C ATOM 1574 OE1 GLU A 103 11.007 9.956 -14.885 1.00 0.00 O ATOM 1575 OE2 GLU A 103 10.769 7.936 -14.103 1.00 0.00 O ATOM 0 H GLU A 103 9.730 7.940 -12.673 1.00 0.00 H new ATOM 0 HA GLU A 103 7.976 9.752 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.154 10.168 -13.688 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.738 10.753 -13.222 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.338 8.142 -14.720 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.526 9.683 -15.535 1.00 0.00 H new ATOM 1582 N VAL A 104 6.700 7.234 -12.923 1.00 0.00 N ATOM 1583 CA VAL A 104 5.544 6.363 -12.976 1.00 0.00 C ATOM 1584 C VAL A 104 5.845 5.063 -12.291 1.00 0.00 C ATOM 1585 O VAL A 104 6.789 4.353 -12.664 1.00 0.00 O ATOM 1586 CB VAL A 104 5.105 6.054 -14.427 1.00 0.00 C ATOM 1587 CG1 VAL A 104 3.830 5.228 -14.464 1.00 0.00 C ATOM 1588 CG2 VAL A 104 4.971 7.312 -15.233 1.00 0.00 C ATOM 0 H VAL A 104 7.407 7.038 -13.631 1.00 0.00 H new ATOM 0 HA VAL A 104 4.734 6.890 -12.472 1.00 0.00 H new ATOM 0 HB VAL A 104 5.890 5.452 -14.885 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.554 5.031 -15.500 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.994 4.283 -13.947 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.027 5.777 -13.972 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.661 7.063 -16.248 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.224 7.960 -14.775 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.930 7.829 -15.263 1.00 0.00 H new ATOM 1598 N VAL A 105 5.061 4.751 -11.314 1.00 0.00 N ATOM 1599 CA VAL A 105 5.192 3.517 -10.612 1.00 0.00 C ATOM 1600 C VAL A 105 3.962 2.665 -10.871 1.00 0.00 C ATOM 1601 O VAL A 105 2.855 3.175 -11.011 1.00 0.00 O ATOM 1602 CB VAL A 105 5.407 3.698 -9.083 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.709 4.439 -8.795 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.233 4.425 -8.456 1.00 0.00 C ATOM 0 H VAL A 105 4.306 5.349 -10.977 1.00 0.00 H new ATOM 0 HA VAL A 105 6.088 3.023 -10.988 1.00 0.00 H new ATOM 0 HB VAL A 105 5.476 2.706 -8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.833 4.551 -7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.547 3.872 -9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.678 5.424 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.406 4.540 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.127 5.408 -8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.321 3.850 -8.616 1.00 0.00 H new ATOM 1614 N ARG A 106 4.158 1.398 -10.944 1.00 0.00 N ATOM 1615 CA ARG A 106 3.090 0.467 -11.214 1.00 0.00 C ATOM 1616 C ARG A 106 3.101 -0.529 -10.133 1.00 0.00 C ATOM 1617 O ARG A 106 4.105 -1.224 -9.936 1.00 0.00 O ATOM 1618 CB ARG A 106 3.281 -0.187 -12.567 1.00 0.00 C ATOM 1619 CG ARG A 106 3.197 0.809 -13.694 1.00 0.00 C ATOM 1620 CD ARG A 106 3.500 0.187 -15.019 1.00 0.00 C ATOM 1621 NE ARG A 106 3.418 1.171 -16.087 1.00 0.00 N ATOM 1622 CZ ARG A 106 4.423 1.507 -16.889 1.00 0.00 C ATOM 1623 NH1 ARG A 106 5.667 1.113 -16.601 1.00 0.00 N ATOM 1624 NH2 ARG A 106 4.200 2.285 -17.944 1.00 0.00 N ATOM 0 H ARG A 106 5.070 0.960 -10.818 1.00 0.00 H new ATOM 0 HA ARG A 106 2.128 0.978 -11.246 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.250 -0.685 -12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.523 -0.957 -12.707 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.198 1.244 -13.719 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.896 1.625 -13.509 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.498 -0.252 -14.999 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.799 -0.625 -15.213 1.00 0.00 H new ATOM 0 HE ARG A 106 2.523 1.638 -16.231 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.845 0.555 -15.766 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.439 1.371 -17.216 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.258 2.624 -18.138 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.971 2.543 -18.560 1.00 0.00 H new ATOM 1638 N LEU A 107 2.057 -0.566 -9.371 1.00 0.00 N ATOM 1639 CA LEU A 107 2.056 -1.367 -8.227 1.00 0.00 C ATOM 1640 C LEU A 107 0.979 -2.402 -8.386 1.00 0.00 C ATOM 1641 O LEU A 107 0.024 -2.196 -9.127 1.00 0.00 O ATOM 1642 CB LEU A 107 1.788 -0.500 -6.958 1.00 0.00 C ATOM 1643 CG LEU A 107 2.434 0.929 -6.868 1.00 0.00 C ATOM 1644 CD1 LEU A 107 3.882 0.967 -7.225 1.00 0.00 C ATOM 1645 CD2 LEU A 107 1.659 1.972 -7.629 1.00 0.00 C ATOM 0 H LEU A 107 1.197 -0.042 -9.535 1.00 0.00 H new ATOM 0 HA LEU A 107 3.026 -1.848 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.709 -0.381 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.125 -1.070 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 107 2.375 1.182 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.252 1.989 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.441 0.320 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.013 0.620 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.154 2.938 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.613 1.695 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.648 2.039 -7.227 1.00 0.00 H new ATOM 1657 N LEU A 108 1.145 -3.500 -7.757 1.00 0.00 N ATOM 1658 CA LEU A 108 0.143 -4.504 -7.742 1.00 0.00 C ATOM 1659 C LEU A 108 -0.293 -4.706 -6.357 1.00 0.00 C ATOM 1660 O LEU A 108 0.523 -5.022 -5.475 1.00 0.00 O ATOM 1661 CB LEU A 108 0.579 -5.820 -8.363 1.00 0.00 C ATOM 1662 CG LEU A 108 0.078 -6.082 -9.778 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.753 -5.168 -10.786 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.250 -7.540 -10.156 1.00 0.00 C ATOM 0 H LEU A 108 1.987 -3.735 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.681 -4.153 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.668 -5.853 -8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.240 -6.633 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.988 -5.856 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.372 -5.383 -11.784 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.543 -4.129 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.830 -5.336 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.116 -7.698 -11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.306 -7.807 -10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.316 -8.164 -9.465 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.539 -4.508 -6.138 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.069 -4.606 -4.821 1.00 0.00 C ATOM 1678 C VAL A 109 -3.059 -5.709 -4.728 1.00 0.00 C ATOM 1679 O VAL A 109 -3.672 -6.108 -5.730 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.709 -3.297 -4.297 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.720 -2.163 -4.244 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.934 -2.900 -5.080 1.00 0.00 C ATOM 0 H VAL A 109 -2.222 -4.274 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.209 -4.814 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.028 -3.509 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.214 -1.266 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.898 -2.428 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.331 -1.973 -5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.343 -1.976 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.664 -2.746 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.682 -3.690 -5.011 1.00 0.00 H new ATOM 1692 N THR A 110 -3.195 -6.210 -3.558 1.00 0.00 N ATOM 1693 CA THR A 110 -4.130 -7.212 -3.277 1.00 0.00 C ATOM 1694 C THR A 110 -5.003 -6.754 -2.155 1.00 0.00 C ATOM 1695 O THR A 110 -4.517 -6.283 -1.106 1.00 0.00 O ATOM 1696 CB THR A 110 -3.467 -8.546 -2.905 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.510 -8.363 -1.844 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.800 -9.212 -4.084 1.00 0.00 C ATOM 0 H THR A 110 -2.640 -5.921 -2.752 1.00 0.00 H new ATOM 0 HA THR A 110 -4.717 -7.387 -4.179 1.00 0.00 H new ATOM 0 HB THR A 110 -4.267 -9.204 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.072 -7.492 -1.945 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.348 -10.151 -3.764 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.542 -9.412 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.028 -8.555 -4.484 1.00 0.00 H new