USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 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 93 SER OG : rot 180:sc= 0.387 USER MOD Set 1.2: A 98 SER OG : rot -109:sc= 0.424 USER MOD Set 2.1: A 52 SER OG : rot -99:sc= 1.21 USER MOD Set 2.2: A 54 ASN : amide:sc= -1.63! C(o=-0.42!,f=-4.4!) USER MOD Single : A 31 SER OG : rot 56:sc= 0.365 USER MOD Single : A 35 HIS :FLIP no HE2:sc= 0.0574 F(o=-0.55,f=0.057) USER MOD Single : A 41 GLN : amide:sc= -5.7! C(o=-5.7!,f=-8.6!) USER MOD Single : A 51 GLN : amide:sc= 0.6 K(o=0.6,f=-0.28) USER MOD Single : A 61 GLN : amide:sc= -5.24! C(o=-5.2!,f=-7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -73:sc= 1.17! USER MOD Single : A 80 SER OG : rot -120:sc= -0.477 USER MOD Single : A 85 SER OG : rot 82:sc= 1.22 USER MOD Single : A 88 TYR OH : rot 141:sc= -1.01 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 94 SER OG : rot 49:sc= -1.54! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -175:sc= -0.573 USER MOD Single : A 101 THR OG1 : rot -171:sc= -4.76! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -112:sc= 0.268 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.192 F(o=-0.8,f=-0.19) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -13.051 2.589 3.747 1.00 0.00 N ATOM 213 CA GLU A 28 -11.633 2.187 3.649 1.00 0.00 C ATOM 214 C GLU A 28 -11.158 2.683 2.291 1.00 0.00 C ATOM 215 O GLU A 28 -10.858 3.845 2.107 1.00 0.00 O ATOM 216 CB GLU A 28 -11.565 0.651 3.738 1.00 0.00 C ATOM 217 CG GLU A 28 -11.758 0.237 5.204 1.00 0.00 C ATOM 218 CD GLU A 28 -11.548 -1.274 5.358 1.00 0.00 C ATOM 219 OE1 GLU A 28 -11.088 -1.875 4.402 1.00 0.00 O ATOM 220 OE2 GLU A 28 -11.858 -1.743 6.442 1.00 0.00 O ATOM 0 HA GLU A 28 -11.010 2.599 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.336 0.201 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.605 0.293 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.054 0.776 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.760 0.508 5.538 1.00 0.00 H new ATOM 227 N VAL A 29 -11.018 1.742 1.407 1.00 0.00 N ATOM 228 CA VAL A 29 -10.625 2.070 0.005 1.00 0.00 C ATOM 229 C VAL A 29 -10.919 0.919 -0.933 1.00 0.00 C ATOM 230 O VAL A 29 -11.835 0.956 -1.732 1.00 0.00 O ATOM 231 CB VAL A 29 -9.152 2.437 -0.117 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.617 1.994 -1.478 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.054 3.956 -0.106 1.00 0.00 C ATOM 0 H VAL A 29 -11.159 0.749 1.593 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.223 2.937 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.595 1.966 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.563 2.260 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.728 0.914 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.178 2.492 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.009 4.254 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.618 4.363 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.465 4.340 0.827 1.00 0.00 H new ATOM 243 N GLU A 30 -10.099 -0.085 -0.793 1.00 0.00 N ATOM 244 CA GLU A 30 -10.261 -1.257 -1.691 1.00 0.00 C ATOM 245 C GLU A 30 -9.890 -2.581 -1.030 1.00 0.00 C ATOM 246 O GLU A 30 -8.753 -2.834 -0.683 1.00 0.00 O ATOM 247 CB GLU A 30 -9.378 -1.036 -2.924 1.00 0.00 C ATOM 248 CG GLU A 30 -9.829 -1.989 -4.037 1.00 0.00 C ATOM 249 CD GLU A 30 -11.291 -1.702 -4.387 1.00 0.00 C ATOM 250 OE1 GLU A 30 -11.538 -0.586 -4.814 1.00 0.00 O ATOM 251 OE2 GLU A 30 -12.078 -2.616 -4.204 1.00 0.00 O ATOM 0 H GLU A 30 -9.342 -0.144 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.316 -1.331 -1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.453 -0.002 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.332 -1.215 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.200 -1.861 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.717 -3.024 -3.713 1.00 0.00 H new ATOM 258 N SER A 31 -10.906 -3.375 -0.854 1.00 0.00 N ATOM 259 CA SER A 31 -10.718 -4.731 -0.262 1.00 0.00 C ATOM 260 C SER A 31 -10.566 -5.761 -1.391 1.00 0.00 C ATOM 261 O SER A 31 -11.503 -6.055 -2.106 1.00 0.00 O ATOM 262 CB SER A 31 -11.940 -5.073 0.596 1.00 0.00 C ATOM 263 OG SER A 31 -13.042 -4.626 -0.182 1.00 0.00 O ATOM 0 H SER A 31 -11.869 -3.142 -1.097 1.00 0.00 H new ATOM 0 HA SER A 31 -9.822 -4.748 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.000 -6.143 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.903 -4.570 1.562 1.00 0.00 H new ATOM 0 HG SER A 31 -13.012 -5.050 -1.065 1.00 0.00 H new ATOM 269 N LEU A 32 -9.370 -6.273 -1.521 1.00 0.00 N ATOM 270 CA LEU A 32 -9.089 -7.275 -2.595 1.00 0.00 C ATOM 271 C LEU A 32 -8.451 -8.569 -2.068 1.00 0.00 C ATOM 272 O LEU A 32 -7.620 -8.561 -1.181 1.00 0.00 O ATOM 273 CB LEU A 32 -8.131 -6.641 -3.609 1.00 0.00 C ATOM 274 CG LEU A 32 -8.757 -5.357 -4.161 1.00 0.00 C ATOM 275 CD1 LEU A 32 -7.710 -4.623 -5.004 1.00 0.00 C ATOM 276 CD2 LEU A 32 -9.944 -5.720 -5.061 1.00 0.00 C ATOM 0 H LEU A 32 -8.573 -6.041 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.045 -7.546 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.175 -6.419 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.928 -7.339 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.094 -4.726 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.143 -3.706 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.849 -4.377 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.392 -5.263 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.393 -4.809 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.598 -6.342 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.686 -6.268 -4.481 1.00 0.00 H new ATOM 288 N LEU A 33 -8.842 -9.654 -2.686 1.00 0.00 N ATOM 289 CA LEU A 33 -8.302 -10.990 -2.292 1.00 0.00 C ATOM 290 C LEU A 33 -7.345 -11.485 -3.380 1.00 0.00 C ATOM 291 O LEU A 33 -7.683 -11.506 -4.548 1.00 0.00 O ATOM 292 CB LEU A 33 -9.466 -11.982 -2.145 1.00 0.00 C ATOM 293 CG LEU A 33 -10.411 -11.854 -3.352 1.00 0.00 C ATOM 294 CD1 LEU A 33 -11.072 -13.213 -3.602 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.512 -10.837 -3.025 1.00 0.00 C ATOM 0 H LEU A 33 -9.516 -9.672 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.769 -10.910 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.083 -13.000 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.011 -11.784 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.849 -11.531 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.746 -13.138 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.304 -13.958 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.637 -13.511 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.185 -10.742 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.074 -11.176 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.060 -9.869 -2.810 1.00 0.00 H new ATOM 307 N VAL A 34 -6.166 -11.868 -2.973 1.00 0.00 N ATOM 308 CA VAL A 34 -5.169 -12.346 -3.976 1.00 0.00 C ATOM 309 C VAL A 34 -4.433 -13.624 -3.545 1.00 0.00 C ATOM 310 O VAL A 34 -4.500 -14.053 -2.410 1.00 0.00 O ATOM 311 CB VAL A 34 -4.146 -11.218 -4.203 1.00 0.00 C ATOM 312 CG1 VAL A 34 -4.419 -10.567 -5.563 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.303 -10.150 -3.113 1.00 0.00 C ATOM 0 H VAL A 34 -5.851 -11.872 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.709 -12.597 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.138 -11.632 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.700 -9.766 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.323 -11.315 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.429 -10.156 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.577 -9.353 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.311 -9.736 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.133 -10.600 -2.135 1.00 0.00 H new ATOM 323 N HIS A 35 -3.719 -14.195 -4.479 1.00 0.00 N ATOM 324 CA HIS A 35 -2.948 -15.438 -4.189 1.00 0.00 C ATOM 325 C HIS A 35 -1.463 -15.195 -4.479 1.00 0.00 C ATOM 326 O HIS A 35 -1.098 -14.217 -5.101 1.00 0.00 O ATOM 327 CB HIS A 35 -3.468 -16.553 -5.104 1.00 0.00 C ATOM 328 CG HIS A 35 -4.899 -16.927 -4.706 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.606 -16.690 -3.540 1.00 0.00 N flip ATOM 330 CD2 HIS A 35 -5.725 -17.583 -5.452 1.00 0.00 C flip ATOM 331 CE1 HIS A 35 -6.817 -17.205 -3.630 1.00 0.00 C flip ATOM 332 NE2 HIS A 35 -6.846 -17.745 -4.824 1.00 0.00 N flip ATOM 0 H HIS A 35 -3.637 -13.851 -5.436 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.068 -15.721 -3.143 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.444 -16.224 -6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.821 -17.427 -5.031 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.243 -16.190 -2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.513 -17.942 -6.448 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.604 -17.186 -2.890 1.00 0.00 H new ATOM 340 N PRO A 36 -0.644 -16.102 -4.015 1.00 0.00 N ATOM 341 CA PRO A 36 0.770 -16.195 -4.447 1.00 0.00 C ATOM 342 C PRO A 36 0.907 -16.174 -5.973 1.00 0.00 C ATOM 343 O PRO A 36 0.648 -17.158 -6.636 1.00 0.00 O ATOM 344 CB PRO A 36 1.274 -17.518 -3.857 1.00 0.00 C ATOM 345 CG PRO A 36 0.206 -17.999 -2.831 1.00 0.00 C ATOM 346 CD PRO A 36 -1.049 -17.124 -3.020 1.00 0.00 C ATOM 0 HA PRO A 36 1.352 -15.342 -4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.416 -18.261 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.240 -17.380 -3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.033 -19.050 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.585 -17.910 -1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.893 -17.713 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.357 -16.664 -2.081 1.00 0.00 H new ATOM 354 N GLY A 37 1.306 -15.044 -6.497 1.00 0.00 N ATOM 355 CA GLY A 37 1.478 -14.927 -7.971 1.00 0.00 C ATOM 356 C GLY A 37 0.653 -13.777 -8.560 1.00 0.00 C ATOM 357 O GLY A 37 0.248 -13.842 -9.704 1.00 0.00 O ATOM 0 H GLY A 37 1.519 -14.199 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.532 -14.771 -8.201 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.184 -15.863 -8.445 1.00 0.00 H new ATOM 361 N ASP A 38 0.415 -12.747 -7.786 1.00 0.00 N ATOM 362 CA ASP A 38 -0.380 -11.612 -8.346 1.00 0.00 C ATOM 363 C ASP A 38 0.250 -10.225 -8.164 1.00 0.00 C ATOM 364 O ASP A 38 1.189 -10.016 -7.417 1.00 0.00 O ATOM 365 CB ASP A 38 -1.762 -11.585 -7.685 1.00 0.00 C ATOM 366 CG ASP A 38 -2.560 -12.832 -8.067 1.00 0.00 C ATOM 367 OD1 ASP A 38 -2.527 -13.178 -9.237 1.00 0.00 O ATOM 368 OD2 ASP A 38 -3.170 -13.353 -7.149 1.00 0.00 O ATOM 0 H ASP A 38 0.726 -12.643 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.427 -11.800 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.653 -11.533 -6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.303 -10.691 -7.994 1.00 0.00 H new ATOM 373 N LEU A 39 -0.345 -9.309 -8.883 1.00 0.00 N ATOM 374 CA LEU A 39 0.083 -7.887 -8.853 1.00 0.00 C ATOM 375 C LEU A 39 -1.032 -7.102 -8.161 1.00 0.00 C ATOM 376 O LEU A 39 -2.150 -7.043 -8.634 1.00 0.00 O ATOM 377 CB LEU A 39 0.245 -7.386 -10.293 1.00 0.00 C ATOM 378 CG LEU A 39 0.976 -8.447 -11.128 1.00 0.00 C ATOM 379 CD1 LEU A 39 1.044 -7.967 -12.580 1.00 0.00 C ATOM 380 CD2 LEU A 39 2.403 -8.608 -10.599 1.00 0.00 C ATOM 0 H LEU A 39 -1.131 -9.498 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 39 1.030 -7.765 -8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.732 -7.176 -10.728 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.806 -6.451 -10.303 1.00 0.00 H new ATOM 0 HG LEU A 39 0.447 -9.398 -11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.561 -8.711 -13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.034 -7.825 -12.964 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.586 -7.022 -12.626 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.927 -9.360 -11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.929 -7.656 -10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.371 -8.922 -9.556 1.00 0.00 H new ATOM 392 N LEU A 40 -0.689 -6.518 -7.050 1.00 0.00 N ATOM 393 CA LEU A 40 -1.690 -5.737 -6.266 1.00 0.00 C ATOM 394 C LEU A 40 -1.223 -4.282 -6.138 1.00 0.00 C ATOM 395 O LEU A 40 -0.103 -4.023 -5.748 1.00 0.00 O ATOM 396 CB LEU A 40 -1.816 -6.415 -4.888 1.00 0.00 C ATOM 397 CG LEU A 40 -1.967 -5.376 -3.774 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.317 -4.666 -3.920 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.944 -6.108 -2.432 1.00 0.00 C ATOM 0 H LEU A 40 0.247 -6.547 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.662 -5.721 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.677 -7.083 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.935 -7.029 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.160 -4.646 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.426 -3.926 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.364 -4.170 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.122 -5.397 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.050 -5.386 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.767 -6.822 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.998 -6.639 -2.323 1.00 0.00 H new ATOM 411 N GLN A 41 -2.089 -3.364 -6.476 1.00 0.00 N ATOM 412 CA GLN A 41 -1.693 -1.929 -6.390 1.00 0.00 C ATOM 413 C GLN A 41 -2.642 -1.112 -5.512 1.00 0.00 C ATOM 414 O GLN A 41 -3.844 -1.280 -5.551 1.00 0.00 O ATOM 415 CB GLN A 41 -1.700 -1.316 -7.797 1.00 0.00 C ATOM 416 CG GLN A 41 -0.826 -2.158 -8.735 1.00 0.00 C ATOM 417 CD GLN A 41 -1.571 -3.420 -9.192 1.00 0.00 C ATOM 418 OE1 GLN A 41 -0.989 -4.288 -9.813 1.00 0.00 O ATOM 419 NE2 GLN A 41 -2.839 -3.571 -8.917 1.00 0.00 N ATOM 0 H GLN A 41 -3.039 -3.541 -6.803 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.699 -1.897 -5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.720 -1.270 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.328 -0.292 -7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.541 -1.564 -9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.095 -2.439 -8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.337 -2.849 -8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.331 -4.411 -9.223 1.00 0.00 H new ATOM 428 N LEU A 42 -2.053 -0.244 -4.736 1.00 0.00 N ATOM 429 CA LEU A 42 -2.847 0.647 -3.849 1.00 0.00 C ATOM 430 C LEU A 42 -2.401 2.070 -4.158 1.00 0.00 C ATOM 431 O LEU A 42 -1.307 2.453 -3.796 1.00 0.00 O ATOM 432 CB LEU A 42 -2.553 0.334 -2.371 1.00 0.00 C ATOM 433 CG LEU A 42 -1.239 -0.446 -2.231 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.634 -0.128 -0.858 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.542 -1.948 -2.299 1.00 0.00 C ATOM 0 H LEU A 42 -1.043 -0.114 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.915 0.509 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.493 1.262 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.373 -0.246 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.548 -0.170 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.302 -0.673 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.443 0.943 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.331 -0.427 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.614 -2.511 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.219 -2.220 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.009 -2.182 -3.256 1.00 0.00 H new ATOM 447 N ARG A 43 -3.220 2.789 -4.875 1.00 0.00 N ATOM 448 CA ARG A 43 -2.855 4.192 -5.217 1.00 0.00 C ATOM 449 C ARG A 43 -3.597 5.143 -4.301 1.00 0.00 C ATOM 450 O ARG A 43 -4.812 5.155 -4.244 1.00 0.00 O ATOM 451 CB ARG A 43 -3.228 4.466 -6.676 1.00 0.00 C ATOM 452 CG ARG A 43 -2.653 5.830 -7.075 1.00 0.00 C ATOM 453 CD ARG A 43 -2.322 5.807 -8.568 1.00 0.00 C ATOM 454 NE ARG A 43 -1.480 7.001 -8.873 1.00 0.00 N ATOM 455 CZ ARG A 43 -1.811 7.835 -9.821 1.00 0.00 C ATOM 456 NH1 ARG A 43 -2.928 7.680 -10.478 1.00 0.00 N ATOM 457 NH2 ARG A 43 -0.984 8.811 -10.074 1.00 0.00 N ATOM 0 H ARG A 43 -4.119 2.469 -5.236 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.783 4.340 -5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.831 3.683 -7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.311 4.461 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.372 6.620 -6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.757 6.047 -6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.791 4.891 -8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.236 5.824 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.632 7.168 -8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.549 6.903 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.180 8.336 -11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.120 8.899 -9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.201 9.487 -10.806 1.00 0.00 H new ATOM 471 N CYS A 44 -2.816 5.930 -3.619 1.00 0.00 N ATOM 472 CA CYS A 44 -3.405 6.895 -2.659 1.00 0.00 C ATOM 473 C CYS A 44 -3.857 8.184 -3.340 1.00 0.00 C ATOM 474 O CYS A 44 -3.915 8.294 -4.549 1.00 0.00 O ATOM 475 CB CYS A 44 -2.340 7.235 -1.620 1.00 0.00 C ATOM 476 SG CYS A 44 -2.890 8.072 -0.114 1.00 0.00 S ATOM 0 H CYS A 44 -1.798 5.946 -3.686 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.284 6.437 -2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.844 6.309 -1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.589 7.862 -2.100 1.00 0.00 H new ATOM 481 N ARG A 45 -4.163 9.123 -2.494 1.00 0.00 N ATOM 482 CA ARG A 45 -4.621 10.466 -2.954 1.00 0.00 C ATOM 483 C ARG A 45 -3.461 11.433 -2.703 1.00 0.00 C ATOM 484 O ARG A 45 -2.513 11.074 -2.032 1.00 0.00 O ATOM 485 CB ARG A 45 -5.853 10.875 -2.129 1.00 0.00 C ATOM 486 CG ARG A 45 -6.541 9.611 -1.573 1.00 0.00 C ATOM 487 CD ARG A 45 -8.059 9.805 -1.631 1.00 0.00 C ATOM 488 NE ARG A 45 -8.716 8.770 -0.779 1.00 0.00 N ATOM 489 CZ ARG A 45 -9.939 8.942 -0.361 1.00 0.00 C ATOM 490 NH1 ARG A 45 -10.664 9.908 -0.856 1.00 0.00 N ATOM 491 NH2 ARG A 45 -10.381 8.107 0.538 1.00 0.00 N ATOM 0 H ARG A 45 -4.115 9.017 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.897 10.469 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.555 11.530 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.550 11.438 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.250 8.737 -2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.223 9.430 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.324 10.803 -1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.410 9.723 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.206 7.925 -0.523 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.273 10.526 -1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.621 10.045 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.776 7.361 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.331 8.200 0.897 1.00 0.00 H new ATOM 505 N LEU A 46 -3.523 12.628 -3.226 1.00 0.00 N ATOM 506 CA LEU A 46 -2.356 13.534 -2.979 1.00 0.00 C ATOM 507 C LEU A 46 -2.653 15.018 -3.195 1.00 0.00 C ATOM 508 O LEU A 46 -3.671 15.392 -3.738 1.00 0.00 O ATOM 509 CB LEU A 46 -1.214 13.105 -3.913 1.00 0.00 C ATOM 510 CG LEU A 46 -1.707 13.117 -5.368 1.00 0.00 C ATOM 511 CD1 LEU A 46 -1.424 14.490 -5.989 1.00 0.00 C ATOM 512 CD2 LEU A 46 -0.938 12.052 -6.158 1.00 0.00 C ATOM 0 H LEU A 46 -4.287 13.006 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.091 13.434 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.365 13.780 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.866 12.108 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.777 12.912 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.773 14.501 -7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.946 15.261 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.352 14.686 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.279 12.050 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.128 12.276 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.116 11.072 -5.716 1.00 0.00 H new ATOM 524 N ARG A 47 -1.739 15.845 -2.765 1.00 0.00 N ATOM 525 CA ARG A 47 -1.933 17.311 -2.961 1.00 0.00 C ATOM 526 C ARG A 47 -0.836 17.790 -3.908 1.00 0.00 C ATOM 527 O ARG A 47 0.057 17.026 -4.215 1.00 0.00 O ATOM 528 CB ARG A 47 -1.793 18.012 -1.610 1.00 0.00 C ATOM 529 CG ARG A 47 -2.583 17.214 -0.568 1.00 0.00 C ATOM 530 CD ARG A 47 -3.489 18.163 0.214 1.00 0.00 C ATOM 531 NE ARG A 47 -4.887 17.672 0.059 1.00 0.00 N ATOM 532 CZ ARG A 47 -5.448 16.963 0.997 1.00 0.00 C ATOM 533 NH1 ARG A 47 -4.767 16.607 2.052 1.00 0.00 N ATOM 534 NH2 ARG A 47 -6.693 16.625 0.813 1.00 0.00 N ATOM 0 H ARG A 47 -0.877 15.574 -2.292 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.917 17.531 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.743 18.076 -1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.170 19.033 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.180 16.445 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.900 16.703 0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.204 18.186 1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.396 19.181 -0.164 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.409 17.893 -0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.790 16.884 2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.212 16.052 2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.180 16.916 -0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.180 16.070 1.517 1.00 0.00 H new ATOM 548 N ASP A 48 -0.948 19.006 -4.383 1.00 0.00 N ATOM 549 CA ASP A 48 0.099 19.557 -5.296 1.00 0.00 C ATOM 550 C ASP A 48 1.383 18.730 -5.216 1.00 0.00 C ATOM 551 O ASP A 48 1.917 18.304 -6.221 1.00 0.00 O ATOM 552 CB ASP A 48 0.388 21.003 -4.879 1.00 0.00 C ATOM 553 CG ASP A 48 1.358 21.636 -5.882 1.00 0.00 C ATOM 554 OD1 ASP A 48 2.514 21.248 -5.838 1.00 0.00 O ATOM 555 OD2 ASP A 48 0.885 22.470 -6.635 1.00 0.00 O ATOM 0 H ASP A 48 -1.720 19.640 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.261 19.519 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.539 21.575 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.817 21.026 -3.877 1.00 0.00 H new ATOM 560 N ASP A 49 1.850 18.528 -4.014 1.00 0.00 N ATOM 561 CA ASP A 49 3.086 17.722 -3.836 1.00 0.00 C ATOM 562 C ASP A 49 3.114 17.097 -2.438 1.00 0.00 C ATOM 563 O ASP A 49 3.814 17.578 -1.567 1.00 0.00 O ATOM 564 CB ASP A 49 4.298 18.643 -4.022 1.00 0.00 C ATOM 565 CG ASP A 49 5.565 17.791 -4.155 1.00 0.00 C ATOM 566 OD1 ASP A 49 5.942 17.214 -3.149 1.00 0.00 O ATOM 567 OD2 ASP A 49 6.083 17.768 -5.260 1.00 0.00 O ATOM 0 H ASP A 49 1.431 18.884 -3.155 1.00 0.00 H new ATOM 0 HA ASP A 49 3.111 16.918 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.167 19.261 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.389 19.320 -3.173 1.00 0.00 H new ATOM 572 N VAL A 50 2.317 16.081 -2.220 1.00 0.00 N ATOM 573 CA VAL A 50 2.340 15.433 -0.888 1.00 0.00 C ATOM 574 C VAL A 50 3.777 15.410 -0.380 1.00 0.00 C ATOM 575 O VAL A 50 4.721 15.293 -1.136 1.00 0.00 O ATOM 576 CB VAL A 50 1.807 14.001 -1.019 1.00 0.00 C ATOM 577 CG1 VAL A 50 2.776 13.178 -1.876 1.00 0.00 C ATOM 578 CG2 VAL A 50 1.721 13.384 0.380 1.00 0.00 C ATOM 0 H VAL A 50 1.666 15.683 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 50 1.715 15.985 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 50 0.823 14.007 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.401 12.159 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.860 13.629 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.757 13.161 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.343 12.364 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.712 13.372 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.046 13.976 0.998 1.00 0.00 H new ATOM 588 N GLN A 51 3.890 15.504 0.909 1.00 0.00 N ATOM 589 CA GLN A 51 5.220 15.510 1.551 1.00 0.00 C ATOM 590 C GLN A 51 5.490 14.070 1.953 1.00 0.00 C ATOM 591 O GLN A 51 6.613 13.606 1.916 1.00 0.00 O ATOM 592 CB GLN A 51 5.134 16.405 2.785 1.00 0.00 C ATOM 593 CG GLN A 51 4.400 17.694 2.387 1.00 0.00 C ATOM 594 CD GLN A 51 5.422 18.680 1.823 1.00 0.00 C ATOM 595 OE1 GLN A 51 6.177 19.292 2.554 1.00 0.00 O ATOM 596 NE2 GLN A 51 5.493 18.862 0.533 1.00 0.00 N ATOM 0 H GLN A 51 3.103 15.578 1.553 1.00 0.00 H new ATOM 0 HA GLN A 51 6.013 15.882 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.602 15.896 3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.132 16.635 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.632 17.478 1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.895 18.125 3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.864 18.354 -0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.177 19.513 0.147 1.00 0.00 H new ATOM 605 N SER A 52 4.438 13.393 2.334 1.00 0.00 N ATOM 606 CA SER A 52 4.644 11.972 2.723 1.00 0.00 C ATOM 607 C SER A 52 3.426 11.069 2.501 1.00 0.00 C ATOM 608 O SER A 52 2.356 11.315 3.025 1.00 0.00 O ATOM 609 CB SER A 52 5.030 11.932 4.205 1.00 0.00 C ATOM 610 OG SER A 52 5.436 10.587 4.409 1.00 0.00 O ATOM 0 H SER A 52 3.483 13.746 2.391 1.00 0.00 H new ATOM 0 HA SER A 52 5.429 11.580 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.835 12.632 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.189 12.198 4.845 1.00 0.00 H new ATOM 0 HG SER A 52 4.703 10.083 4.820 1.00 0.00 H new ATOM 616 N ILE A 53 3.621 10.069 1.680 1.00 0.00 N ATOM 617 CA ILE A 53 2.542 9.071 1.439 1.00 0.00 C ATOM 618 C ILE A 53 3.046 7.777 2.069 1.00 0.00 C ATOM 619 O ILE A 53 3.819 7.047 1.481 1.00 0.00 O ATOM 620 CB ILE A 53 2.347 8.831 -0.050 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.852 10.125 -0.724 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.300 7.723 -0.239 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.374 10.340 -0.402 1.00 0.00 C ATOM 0 H ILE A 53 4.486 9.902 1.165 1.00 0.00 H new ATOM 0 HA ILE A 53 1.594 9.415 1.852 1.00 0.00 H new ATOM 0 HB ILE A 53 3.293 8.532 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.438 10.975 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.994 10.062 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.151 7.541 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.648 6.808 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.357 8.033 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.027 11.256 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.206 9.495 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.245 10.423 0.677 1.00 0.00 H new ATOM 635 N ASN A 54 2.591 7.531 3.261 1.00 0.00 N ATOM 636 CA ASN A 54 3.032 6.303 3.970 1.00 0.00 C ATOM 637 C ASN A 54 2.032 5.203 3.664 1.00 0.00 C ATOM 638 O ASN A 54 0.849 5.459 3.612 1.00 0.00 O ATOM 639 CB ASN A 54 3.005 6.532 5.480 1.00 0.00 C ATOM 640 CG ASN A 54 2.947 8.018 5.817 1.00 0.00 C ATOM 641 OD1 ASN A 54 3.626 8.843 5.239 1.00 0.00 O ATOM 642 ND2 ASN A 54 2.139 8.380 6.774 1.00 0.00 N ATOM 0 H ASN A 54 1.937 8.123 3.773 1.00 0.00 H new ATOM 0 HA ASN A 54 4.041 6.042 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.141 6.026 5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.892 6.089 5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.074 9.362 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.572 7.681 7.254 1.00 0.00 H new ATOM 649 N TRP A 55 2.506 4.005 3.490 1.00 0.00 N ATOM 650 CA TRP A 55 1.549 2.906 3.211 1.00 0.00 C ATOM 651 C TRP A 55 1.519 2.036 4.464 1.00 0.00 C ATOM 652 O TRP A 55 2.398 1.228 4.680 1.00 0.00 O ATOM 653 CB TRP A 55 2.061 2.150 1.993 1.00 0.00 C ATOM 654 CG TRP A 55 1.876 3.062 0.776 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.844 3.793 0.151 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.707 3.254 0.141 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.183 4.366 -0.837 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.885 4.112 -0.922 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.544 2.739 0.421 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.197 4.460 -1.706 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.623 3.085 -0.366 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.448 3.947 -1.429 1.00 0.00 C ATOM 0 H TRP A 55 3.491 3.743 3.527 1.00 0.00 H new ATOM 0 HA TRP A 55 0.538 3.249 2.991 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.111 1.886 2.119 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.512 1.218 1.861 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.891 3.881 0.402 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.651 4.978 -1.506 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.677 2.066 1.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.064 5.135 -2.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.602 2.682 -0.151 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.291 4.221 -2.045 1.00 0.00 H new ATOM 673 N LEU A 56 0.474 2.164 5.238 1.00 0.00 N ATOM 674 CA LEU A 56 0.434 1.386 6.501 1.00 0.00 C ATOM 675 C LEU A 56 0.033 -0.052 6.196 1.00 0.00 C ATOM 676 O LEU A 56 -1.091 -0.313 5.819 1.00 0.00 O ATOM 677 CB LEU A 56 -0.623 1.954 7.462 1.00 0.00 C ATOM 678 CG LEU A 56 -0.780 3.466 7.313 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.784 3.925 8.378 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.565 4.153 7.564 1.00 0.00 C ATOM 0 H LEU A 56 -0.333 2.759 5.054 1.00 0.00 H new ATOM 0 HA LEU A 56 1.423 1.440 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.581 1.470 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.343 1.718 8.489 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.123 3.720 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.924 5.003 8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.738 3.423 8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.404 3.675 9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.448 5.231 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.908 3.924 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.298 3.794 6.841 1.00 0.00 H new ATOM 692 N ARG A 57 0.950 -0.946 6.432 1.00 0.00 N ATOM 693 CA ARG A 57 0.675 -2.381 6.161 1.00 0.00 C ATOM 694 C ARG A 57 -0.090 -2.915 7.356 1.00 0.00 C ATOM 695 O ARG A 57 0.164 -2.498 8.467 1.00 0.00 O ATOM 696 CB ARG A 57 2.003 -3.123 6.041 1.00 0.00 C ATOM 697 CG ARG A 57 1.749 -4.628 6.164 1.00 0.00 C ATOM 698 CD ARG A 57 3.093 -5.341 6.302 1.00 0.00 C ATOM 699 NE ARG A 57 2.837 -6.806 6.246 1.00 0.00 N ATOM 700 CZ ARG A 57 3.088 -7.545 7.291 1.00 0.00 C ATOM 701 NH1 ARG A 57 2.141 -7.739 8.169 1.00 0.00 N ATOM 702 NH2 ARG A 57 4.277 -8.068 7.424 1.00 0.00 N ATOM 0 H ARG A 57 1.879 -0.744 6.801 1.00 0.00 H new ATOM 0 HA ARG A 57 0.107 -2.512 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.474 -2.898 5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.690 -2.793 6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.120 -4.836 7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.215 -4.994 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.769 -5.040 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.573 -5.073 7.243 1.00 0.00 H new ATOM 0 HE ARG A 57 2.467 -7.230 5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.223 -7.316 8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.319 -8.314 8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.992 -7.896 6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.491 -8.649 8.235 1.00 0.00 H new ATOM 716 N ASP A 58 -1.048 -3.759 7.098 1.00 0.00 N ATOM 717 CA ASP A 58 -1.841 -4.335 8.219 1.00 0.00 C ATOM 718 C ASP A 58 -2.563 -3.192 8.931 1.00 0.00 C ATOM 719 O ASP A 58 -3.744 -2.997 8.723 1.00 0.00 O ATOM 720 CB ASP A 58 -0.892 -5.059 9.189 1.00 0.00 C ATOM 721 CG ASP A 58 -1.701 -5.765 10.284 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.912 -5.807 10.140 1.00 0.00 O ATOM 723 OD2 ASP A 58 -1.051 -6.232 11.206 1.00 0.00 O ATOM 0 H ASP A 58 -1.316 -4.074 6.165 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.573 -5.053 7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.288 -5.786 8.646 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.203 -4.344 9.638 1.00 0.00 H new ATOM 728 N GLY A 59 -1.830 -2.482 9.750 1.00 0.00 N ATOM 729 CA GLY A 59 -2.412 -1.321 10.484 1.00 0.00 C ATOM 730 C GLY A 59 -1.305 -0.370 10.969 1.00 0.00 C ATOM 731 O GLY A 59 -1.530 0.444 11.844 1.00 0.00 O ATOM 0 H GLY A 59 -0.844 -2.660 9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.101 -0.782 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.991 -1.677 11.336 1.00 0.00 H new ATOM 735 N VAL A 60 -0.134 -0.489 10.396 1.00 0.00 N ATOM 736 CA VAL A 60 0.999 0.393 10.816 1.00 0.00 C ATOM 737 C VAL A 60 1.859 0.825 9.619 1.00 0.00 C ATOM 738 O VAL A 60 2.058 0.075 8.685 1.00 0.00 O ATOM 739 CB VAL A 60 1.875 -0.377 11.814 1.00 0.00 C ATOM 740 CG1 VAL A 60 1.059 -0.665 13.078 1.00 0.00 C ATOM 741 CG2 VAL A 60 2.299 -1.710 11.188 1.00 0.00 C ATOM 0 H VAL A 60 0.087 -1.157 9.657 1.00 0.00 H new ATOM 0 HA VAL A 60 0.584 1.292 11.271 1.00 0.00 H new ATOM 0 HB VAL A 60 2.756 0.215 12.063 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.675 -1.212 13.792 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.735 0.275 13.524 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.186 -1.264 12.819 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.922 -2.261 11.893 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.413 -2.298 10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.865 -1.520 10.276 1.00 0.00 H new ATOM 751 N GLN A 61 2.364 2.028 9.695 1.00 0.00 N ATOM 752 CA GLN A 61 3.216 2.574 8.593 1.00 0.00 C ATOM 753 C GLN A 61 4.087 1.509 7.927 1.00 0.00 C ATOM 754 O GLN A 61 4.784 0.761 8.585 1.00 0.00 O ATOM 755 CB GLN A 61 4.114 3.669 9.175 1.00 0.00 C ATOM 756 CG GLN A 61 4.528 4.624 8.047 1.00 0.00 C ATOM 757 CD GLN A 61 5.415 3.879 7.044 1.00 0.00 C ATOM 758 OE1 GLN A 61 5.153 3.859 5.858 1.00 0.00 O ATOM 759 NE2 GLN A 61 6.473 3.254 7.484 1.00 0.00 N ATOM 0 H GLN A 61 2.222 2.663 10.480 1.00 0.00 H new ATOM 0 HA GLN A 61 2.552 2.966 7.823 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.585 4.215 9.956 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.996 3.227 9.637 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.643 5.016 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.065 5.478 8.459 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.697 3.268 8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.076 2.751 6.833 1.00 0.00 H new ATOM 768 N LEU A 62 4.020 1.479 6.623 1.00 0.00 N ATOM 769 CA LEU A 62 4.835 0.493 5.861 1.00 0.00 C ATOM 770 C LEU A 62 5.229 1.038 4.484 1.00 0.00 C ATOM 771 O LEU A 62 4.532 1.818 3.864 1.00 0.00 O ATOM 772 CB LEU A 62 4.028 -0.791 5.666 1.00 0.00 C ATOM 773 CG LEU A 62 4.889 -2.024 6.008 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.225 -1.958 5.264 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.165 -2.048 7.515 1.00 0.00 C ATOM 0 H LEU A 62 3.437 2.094 6.055 1.00 0.00 H new ATOM 0 HA LEU A 62 5.742 0.295 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.142 -0.771 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.681 -0.857 4.635 1.00 0.00 H new ATOM 0 HG LEU A 62 4.351 -2.923 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.824 -2.834 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.042 -1.937 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.761 -1.056 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.773 -2.919 7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.697 -1.141 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.221 -2.101 8.057 1.00 0.00 H new ATOM 787 N VAL A 63 6.430 0.684 4.133 1.00 0.00 N ATOM 788 CA VAL A 63 7.010 1.076 2.819 1.00 0.00 C ATOM 789 C VAL A 63 8.216 0.160 2.550 1.00 0.00 C ATOM 790 O VAL A 63 9.271 0.348 3.124 1.00 0.00 O ATOM 791 CB VAL A 63 7.346 2.574 2.912 1.00 0.00 C ATOM 792 CG1 VAL A 63 8.014 2.869 4.260 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.294 2.991 1.800 1.00 0.00 C ATOM 0 H VAL A 63 7.051 0.124 4.717 1.00 0.00 H new ATOM 0 HA VAL A 63 6.335 0.949 1.973 1.00 0.00 H new ATOM 0 HB VAL A 63 6.416 3.135 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.251 3.931 4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.335 2.600 5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.931 2.286 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.515 4.055 1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.220 2.421 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.829 2.797 0.834 1.00 0.00 H new ATOM 843 N ARG A 67 10.298 -6.489 -4.337 1.00 0.00 N ATOM 844 CA ARG A 67 8.978 -7.188 -4.456 1.00 0.00 C ATOM 845 C ARG A 67 7.808 -6.200 -4.508 1.00 0.00 C ATOM 846 O ARG A 67 6.868 -6.366 -5.260 1.00 0.00 O ATOM 847 CB ARG A 67 8.803 -8.109 -3.246 1.00 0.00 C ATOM 848 CG ARG A 67 9.761 -9.294 -3.385 1.00 0.00 C ATOM 849 CD ARG A 67 9.487 -10.280 -2.245 1.00 0.00 C ATOM 850 NE ARG A 67 10.296 -11.508 -2.484 1.00 0.00 N ATOM 851 CZ ARG A 67 9.688 -12.647 -2.678 1.00 0.00 C ATOM 852 NH1 ARG A 67 9.431 -13.407 -1.648 1.00 0.00 N ATOM 853 NH2 ARG A 67 9.358 -12.988 -3.893 1.00 0.00 N ATOM 0 HA ARG A 67 8.975 -7.755 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.008 -7.564 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.773 -8.461 -3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.621 -9.782 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.795 -8.951 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.749 -9.834 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.426 -10.526 -2.203 1.00 0.00 H new ATOM 0 HE ARG A 67 11.315 -11.459 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.704 -13.107 -0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.957 -14.300 -1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.575 -12.368 -4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.883 -13.874 -4.063 1.00 0.00 H new ATOM 867 N THR A 68 7.898 -5.190 -3.687 1.00 0.00 N ATOM 868 CA THR A 68 6.837 -4.160 -3.648 1.00 0.00 C ATOM 869 C THR A 68 7.518 -2.831 -3.961 1.00 0.00 C ATOM 870 O THR A 68 8.394 -2.381 -3.251 1.00 0.00 O ATOM 871 CB THR A 68 6.215 -4.163 -2.247 1.00 0.00 C ATOM 872 OG1 THR A 68 5.829 -2.818 -2.008 1.00 0.00 O ATOM 873 CG2 THR A 68 7.273 -4.470 -1.188 1.00 0.00 C ATOM 0 H THR A 68 8.670 -5.038 -3.038 1.00 0.00 H new ATOM 0 HA THR A 68 6.038 -4.342 -4.367 1.00 0.00 H new ATOM 0 HB THR A 68 5.408 -4.894 -2.196 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.418 -2.748 -1.121 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.811 -4.467 -0.201 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.709 -5.450 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.055 -3.712 -1.225 1.00 0.00 H new ATOM 881 N ARG A 69 7.076 -2.239 -5.032 1.00 0.00 N ATOM 882 CA ARG A 69 7.658 -0.950 -5.467 1.00 0.00 C ATOM 883 C ARG A 69 6.838 0.129 -4.785 1.00 0.00 C ATOM 884 O ARG A 69 5.741 0.452 -5.193 1.00 0.00 O ATOM 885 CB ARG A 69 7.538 -0.837 -6.987 1.00 0.00 C ATOM 886 CG ARG A 69 8.560 0.194 -7.467 1.00 0.00 C ATOM 887 CD ARG A 69 8.467 0.309 -8.991 1.00 0.00 C ATOM 888 NE ARG A 69 9.430 1.354 -9.437 1.00 0.00 N ATOM 889 CZ ARG A 69 10.427 1.019 -10.208 1.00 0.00 C ATOM 890 NH1 ARG A 69 10.306 1.168 -11.498 1.00 0.00 N ATOM 891 NH2 ARG A 69 11.514 0.545 -9.662 1.00 0.00 N ATOM 0 H ARG A 69 6.330 -2.599 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 69 8.712 -0.860 -5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.722 -1.803 -7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.530 -0.533 -7.268 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.367 1.161 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.566 -0.106 -7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.699 -0.647 -9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.453 0.573 -9.291 1.00 0.00 H new ATOM 0 HE ARG A 69 9.311 2.323 -9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.441 1.542 -11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.076 0.911 -12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.573 0.442 -8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.304 0.277 -10.249 1.00 0.00 H new ATOM 905 N ILE A 70 7.353 0.555 -3.671 1.00 0.00 N ATOM 906 CA ILE A 70 6.663 1.617 -2.897 1.00 0.00 C ATOM 907 C ILE A 70 6.945 2.987 -3.485 1.00 0.00 C ATOM 908 O ILE A 70 8.047 3.487 -3.366 1.00 0.00 O ATOM 909 CB ILE A 70 7.246 1.652 -1.516 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.753 1.387 -1.681 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.631 0.564 -0.640 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.514 2.058 -0.568 1.00 0.00 C ATOM 0 H ILE A 70 8.223 0.214 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 70 5.595 1.400 -2.909 1.00 0.00 H new ATOM 0 HB ILE A 70 7.048 2.611 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.946 0.314 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.094 1.763 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.069 0.609 0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.554 0.718 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.830 -0.413 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.580 1.867 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.332 3.132 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.181 1.661 0.391 1.00 0.00 H new ATOM 924 N THR A 71 5.976 3.590 -4.108 1.00 0.00 N ATOM 925 CA THR A 71 6.268 4.944 -4.620 1.00 0.00 C ATOM 926 C THR A 71 5.569 5.928 -3.674 1.00 0.00 C ATOM 927 O THR A 71 4.500 5.655 -3.161 1.00 0.00 O ATOM 928 CB THR A 71 5.741 5.110 -6.042 1.00 0.00 C ATOM 929 OG1 THR A 71 4.401 5.511 -5.833 1.00 0.00 O ATOM 930 CG2 THR A 71 5.635 3.758 -6.757 1.00 0.00 C ATOM 0 H THR A 71 5.039 3.224 -4.278 1.00 0.00 H new ATOM 0 HA THR A 71 7.343 5.123 -4.654 1.00 0.00 H new ATOM 0 HB THR A 71 6.376 5.779 -6.623 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.875 4.745 -5.522 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.257 3.910 -7.768 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.620 3.293 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.953 3.109 -6.208 1.00 0.00 H new ATOM 938 N GLY A 72 6.241 7.017 -3.427 1.00 0.00 N ATOM 939 CA GLY A 72 5.707 8.084 -2.534 1.00 0.00 C ATOM 940 C GLY A 72 4.247 8.475 -2.799 1.00 0.00 C ATOM 941 O GLY A 72 3.797 9.473 -2.277 1.00 0.00 O ATOM 0 H GLY A 72 7.162 7.217 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.797 7.751 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.331 8.972 -2.639 1.00 0.00 H new ATOM 945 N GLU A 73 3.556 7.750 -3.639 1.00 0.00 N ATOM 946 CA GLU A 73 2.120 8.072 -3.889 1.00 0.00 C ATOM 947 C GLU A 73 1.297 6.790 -4.105 1.00 0.00 C ATOM 948 O GLU A 73 0.096 6.767 -3.913 1.00 0.00 O ATOM 949 CB GLU A 73 2.021 8.963 -5.133 1.00 0.00 C ATOM 950 CG GLU A 73 2.483 8.173 -6.362 1.00 0.00 C ATOM 951 CD GLU A 73 2.389 9.080 -7.592 1.00 0.00 C ATOM 952 OE1 GLU A 73 3.286 9.894 -7.733 1.00 0.00 O ATOM 953 OE2 GLU A 73 1.417 8.915 -8.310 1.00 0.00 O ATOM 0 H GLU A 73 3.921 6.953 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 73 1.718 8.591 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.994 9.303 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.637 9.853 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.507 7.826 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.862 7.287 -6.497 1.00 0.00 H new ATOM 960 N GLU A 74 1.949 5.733 -4.505 1.00 0.00 N ATOM 961 CA GLU A 74 1.201 4.470 -4.749 1.00 0.00 C ATOM 962 C GLU A 74 2.108 3.299 -4.411 1.00 0.00 C ATOM 963 O GLU A 74 3.300 3.367 -4.609 1.00 0.00 O ATOM 964 CB GLU A 74 0.820 4.416 -6.231 1.00 0.00 C ATOM 965 CG GLU A 74 0.350 2.998 -6.582 1.00 0.00 C ATOM 966 CD GLU A 74 0.004 2.938 -8.073 1.00 0.00 C ATOM 967 OE1 GLU A 74 0.839 3.389 -8.840 1.00 0.00 O ATOM 968 OE2 GLU A 74 -1.071 2.437 -8.357 1.00 0.00 O ATOM 0 H GLU A 74 2.954 5.689 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 74 0.302 4.425 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.029 5.136 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.675 4.692 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.131 2.275 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.521 2.732 -5.983 1.00 0.00 H new ATOM 975 N VAL A 75 1.539 2.250 -3.903 1.00 0.00 N ATOM 976 CA VAL A 75 2.391 1.078 -3.581 1.00 0.00 C ATOM 977 C VAL A 75 2.024 -0.051 -4.525 1.00 0.00 C ATOM 978 O VAL A 75 0.861 -0.371 -4.672 1.00 0.00 O ATOM 979 CB VAL A 75 2.149 0.671 -2.129 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.181 -0.861 -2.008 1.00 0.00 C ATOM 981 CG2 VAL A 75 3.299 1.225 -1.302 1.00 0.00 C ATOM 0 H VAL A 75 0.544 2.151 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 75 3.447 1.318 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 75 1.184 1.048 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.008 -1.148 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.403 -1.292 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.155 -1.231 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.159 0.953 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.240 0.809 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.323 2.311 -1.394 1.00 0.00 H new ATOM 991 N GLU A 76 3.013 -0.563 -5.204 1.00 0.00 N ATOM 992 CA GLU A 76 2.722 -1.693 -6.138 1.00 0.00 C ATOM 993 C GLU A 76 3.452 -2.978 -5.724 1.00 0.00 C ATOM 994 O GLU A 76 4.658 -3.055 -5.823 1.00 0.00 O ATOM 995 CB GLU A 76 3.171 -1.292 -7.545 1.00 0.00 C ATOM 996 CG GLU A 76 2.316 -0.108 -8.015 1.00 0.00 C ATOM 997 CD GLU A 76 2.662 0.236 -9.469 1.00 0.00 C ATOM 998 OE1 GLU A 76 3.631 -0.326 -9.955 1.00 0.00 O ATOM 999 OE2 GLU A 76 1.933 1.050 -10.012 1.00 0.00 O ATOM 0 H GLU A 76 3.986 -0.260 -5.158 1.00 0.00 H new ATOM 0 HA GLU A 76 1.651 -1.894 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.226 -1.018 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.062 -2.133 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.258 -0.356 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.492 0.757 -7.375 1.00 0.00 H new ATOM 1006 N VAL A 77 2.713 -3.970 -5.301 1.00 0.00 N ATOM 1007 CA VAL A 77 3.361 -5.254 -4.890 1.00 0.00 C ATOM 1008 C VAL A 77 3.146 -6.200 -6.074 1.00 0.00 C ATOM 1009 O VAL A 77 2.021 -6.469 -6.441 1.00 0.00 O ATOM 1010 CB VAL A 77 2.685 -5.783 -3.591 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.638 -4.643 -2.563 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.249 -6.225 -3.880 1.00 0.00 C ATOM 0 H VAL A 77 1.696 -3.949 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 77 4.422 -5.149 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 77 3.257 -6.631 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.167 -4.999 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.652 -4.309 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.062 -3.811 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.790 -6.592 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.677 -5.378 -4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.256 -7.020 -4.626 1.00 0.00 H new ATOM 1022 N ARG A 78 4.214 -6.686 -6.645 1.00 0.00 N ATOM 1023 CA ARG A 78 4.059 -7.563 -7.847 1.00 0.00 C ATOM 1024 C ARG A 78 4.290 -9.021 -7.485 1.00 0.00 C ATOM 1025 O ARG A 78 5.113 -9.694 -8.073 1.00 0.00 O ATOM 1026 CB ARG A 78 5.091 -7.135 -8.905 1.00 0.00 C ATOM 1027 CG ARG A 78 5.537 -5.698 -8.625 1.00 0.00 C ATOM 1028 CD ARG A 78 4.309 -4.789 -8.609 1.00 0.00 C ATOM 1029 NE ARG A 78 4.009 -4.374 -10.009 1.00 0.00 N ATOM 1030 CZ ARG A 78 2.796 -4.522 -10.467 1.00 0.00 C ATOM 1031 NH1 ARG A 78 1.801 -4.468 -9.626 1.00 0.00 N ATOM 1032 NH2 ARG A 78 2.621 -4.719 -11.746 1.00 0.00 N ATOM 0 H ARG A 78 5.173 -6.520 -6.340 1.00 0.00 H new ATOM 0 HA ARG A 78 3.045 -7.459 -8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.950 -7.805 -8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.657 -7.205 -9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.057 -5.645 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.240 -5.367 -9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.456 -5.313 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.494 -3.914 -7.986 1.00 0.00 H new ATOM 0 HE ARG A 78 4.741 -3.980 -10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.980 -4.313 -8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.844 -4.581 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.426 -4.755 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.679 -4.837 -12.120 1.00 0.00 H new ATOM 1046 N ASP A 79 3.550 -9.484 -6.517 1.00 0.00 N ATOM 1047 CA ASP A 79 3.746 -10.893 -6.102 1.00 0.00 C ATOM 1048 C ASP A 79 2.546 -11.400 -5.316 1.00 0.00 C ATOM 1049 O ASP A 79 2.138 -12.533 -5.467 1.00 0.00 O ATOM 1050 CB ASP A 79 5.011 -10.976 -5.238 1.00 0.00 C ATOM 1051 CG ASP A 79 5.524 -12.421 -5.189 1.00 0.00 C ATOM 1052 OD1 ASP A 79 4.841 -13.274 -5.734 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.582 -12.588 -4.605 1.00 0.00 O ATOM 0 H ASP A 79 2.837 -8.961 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 79 3.853 -11.518 -6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.782 -10.322 -5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.795 -10.624 -4.229 1.00 0.00 H new ATOM 1058 N SER A 80 1.970 -10.536 -4.523 1.00 0.00 N ATOM 1059 CA SER A 80 0.825 -10.997 -3.693 1.00 0.00 C ATOM 1060 C SER A 80 1.305 -12.259 -2.974 1.00 0.00 C ATOM 1061 O SER A 80 1.155 -13.359 -3.465 1.00 0.00 O ATOM 1062 CB SER A 80 -0.361 -11.314 -4.603 1.00 0.00 C ATOM 1063 OG SER A 80 -0.680 -10.056 -5.180 1.00 0.00 O ATOM 0 H SER A 80 2.235 -9.557 -4.416 1.00 0.00 H new ATOM 0 HA SER A 80 0.503 -10.240 -2.977 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.098 -12.050 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.201 -11.723 -4.041 1.00 0.00 H new ATOM 0 HG SER A 80 -1.601 -9.814 -4.949 1.00 0.00 H new ATOM 1069 N ILE A 81 1.891 -12.052 -1.829 1.00 0.00 N ATOM 1070 CA ILE A 81 2.435 -13.189 -1.035 1.00 0.00 C ATOM 1071 C ILE A 81 2.168 -12.846 0.425 1.00 0.00 C ATOM 1072 O ILE A 81 1.873 -11.706 0.716 1.00 0.00 O ATOM 1073 CB ILE A 81 3.945 -13.276 -1.310 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.538 -11.860 -1.273 1.00 0.00 C ATOM 1075 CG2 ILE A 81 4.154 -13.869 -2.706 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.066 -11.961 -1.257 1.00 0.00 C ATOM 0 H ILE A 81 2.018 -11.133 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 81 1.981 -14.147 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 81 4.431 -13.901 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.207 -11.290 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.186 -11.327 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.221 -13.937 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.711 -14.864 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.678 -13.228 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.497 -10.960 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.385 -12.516 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.406 -12.479 -2.154 1.00 0.00 H new ATOM 1088 N PRO A 82 2.262 -13.801 1.313 1.00 0.00 N ATOM 1089 CA PRO A 82 1.805 -13.606 2.707 1.00 0.00 C ATOM 1090 C PRO A 82 1.985 -12.157 3.178 1.00 0.00 C ATOM 1091 O PRO A 82 1.116 -11.615 3.827 1.00 0.00 O ATOM 1092 CB PRO A 82 2.646 -14.600 3.510 1.00 0.00 C ATOM 1093 CG PRO A 82 3.101 -15.695 2.496 1.00 0.00 C ATOM 1094 CD PRO A 82 2.906 -15.115 1.075 1.00 0.00 C ATOM 0 HA PRO A 82 0.736 -13.784 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.506 -14.107 3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.064 -15.037 4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.144 -15.963 2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.514 -16.605 2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.857 -15.006 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.279 -15.762 0.462 1.00 0.00 H new ATOM 1102 N ALA A 83 3.085 -11.561 2.806 1.00 0.00 N ATOM 1103 CA ALA A 83 3.357 -10.149 3.205 1.00 0.00 C ATOM 1104 C ALA A 83 2.135 -9.216 3.111 1.00 0.00 C ATOM 1105 O ALA A 83 1.998 -8.319 3.918 1.00 0.00 O ATOM 1106 CB ALA A 83 4.463 -9.604 2.299 1.00 0.00 C ATOM 0 H ALA A 83 3.813 -11.995 2.238 1.00 0.00 H new ATOM 0 HA ALA A 83 3.646 -10.167 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.680 -8.571 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.362 -10.208 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.135 -9.644 1.260 1.00 0.00 H new ATOM 1112 N ASP A 84 1.289 -9.440 2.140 1.00 0.00 N ATOM 1113 CA ASP A 84 0.095 -8.564 1.966 1.00 0.00 C ATOM 1114 C ASP A 84 -1.180 -9.098 2.646 1.00 0.00 C ATOM 1115 O ASP A 84 -2.253 -9.070 2.075 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.157 -8.398 0.462 1.00 0.00 C ATOM 1117 CG ASP A 84 1.189 -8.298 -0.265 1.00 0.00 C ATOM 1118 OD1 ASP A 84 1.689 -7.188 -0.330 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.634 -9.344 -0.710 1.00 0.00 O ATOM 0 H ASP A 84 1.375 -10.194 1.459 1.00 0.00 H new ATOM 0 HA ASP A 84 0.315 -7.614 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.728 -9.245 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.752 -7.503 0.277 1.00 0.00 H new ATOM 1124 N SER A 85 -1.020 -9.675 3.806 1.00 0.00 N ATOM 1125 CA SER A 85 -2.218 -10.150 4.564 1.00 0.00 C ATOM 1126 C SER A 85 -2.608 -9.110 5.623 1.00 0.00 C ATOM 1127 O SER A 85 -2.317 -9.283 6.790 1.00 0.00 O ATOM 1128 CB SER A 85 -1.891 -11.466 5.269 1.00 0.00 C ATOM 1129 OG SER A 85 -1.458 -12.301 4.210 1.00 0.00 O ATOM 0 H SER A 85 -0.121 -9.838 4.260 1.00 0.00 H new ATOM 0 HA SER A 85 -3.042 -10.295 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.115 -11.337 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.763 -11.879 5.776 1.00 0.00 H new ATOM 0 HG SER A 85 -0.519 -12.110 4.006 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.251 -8.050 5.211 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.643 -7.016 6.215 1.00 0.00 C ATOM 1137 C GLY A 86 -4.179 -5.753 5.535 1.00 0.00 C ATOM 1138 O GLY A 86 -4.484 -5.747 4.358 1.00 0.00 O ATOM 0 H GLY A 86 -3.517 -7.856 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.404 -7.423 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.782 -6.761 6.833 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.302 -4.690 6.284 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.818 -3.458 5.637 1.00 0.00 C ATOM 1144 C LEU A 87 -3.651 -2.570 5.217 1.00 0.00 C ATOM 1145 O LEU A 87 -2.766 -2.275 5.995 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.718 -2.710 6.628 1.00 0.00 C ATOM 1147 CG LEU A 87 -7.184 -2.955 6.249 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.514 -4.437 6.460 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -8.078 -2.114 7.166 1.00 0.00 C ATOM 0 H LEU A 87 -4.077 -4.623 7.277 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.395 -3.721 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.528 -3.055 7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.496 -1.643 6.607 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.350 -2.681 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.555 -4.620 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.865 -5.047 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.357 -4.699 7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.124 -2.280 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.911 -2.405 8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.836 -1.058 7.042 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.671 -2.198 3.968 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.618 -1.305 3.428 1.00 0.00 C ATOM 1163 C TYR A 88 -3.308 0.033 3.247 1.00 0.00 C ATOM 1164 O TYR A 88 -3.766 0.393 2.183 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.129 -1.840 2.098 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.121 -2.943 2.391 1.00 0.00 C ATOM 1167 CD1 TYR A 88 0.202 -2.636 2.627 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -1.529 -4.255 2.445 1.00 0.00 C ATOM 1169 CE1 TYR A 88 1.109 -3.634 2.912 1.00 0.00 C ATOM 1170 CE2 TYR A 88 -0.629 -5.257 2.724 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.700 -4.956 2.958 1.00 0.00 C ATOM 1172 OH TYR A 88 1.608 -5.962 3.220 1.00 0.00 O ATOM 0 H TYR A 88 -4.382 -2.480 3.293 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.749 -1.230 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.962 -2.228 1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.668 -1.045 1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.530 -1.608 2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.565 -4.501 2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.143 -3.384 3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.962 -6.284 2.760 1.00 0.00 H new ATOM 0 HH TYR A 88 1.191 -6.638 3.793 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.380 0.729 4.340 1.00 0.00 N ATOM 1183 CA ALA A 89 -4.063 2.049 4.304 1.00 0.00 C ATOM 1184 C ALA A 89 -3.045 3.085 3.856 1.00 0.00 C ATOM 1185 O ALA A 89 -1.897 3.033 4.243 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.565 2.376 5.706 1.00 0.00 C ATOM 0 H ALA A 89 -3.003 0.449 5.245 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.909 2.040 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.069 3.342 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.264 1.606 6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.721 2.414 6.395 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.481 4.038 3.088 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.502 5.043 2.601 1.00 0.00 C ATOM 1194 C CYS A 90 -2.627 6.313 3.422 1.00 0.00 C ATOM 1195 O CYS A 90 -3.713 6.828 3.574 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.814 5.350 1.143 1.00 0.00 C ATOM 1197 SG CYS A 90 -4.008 6.666 0.806 1.00 0.00 S ATOM 0 H CYS A 90 -4.446 4.165 2.782 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.488 4.655 2.696 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.879 5.608 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.181 4.435 0.677 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.526 6.755 3.963 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.567 8.010 4.764 1.00 0.00 C ATOM 1204 C VAL A 91 -0.839 9.101 3.991 1.00 0.00 C ATOM 1205 O VAL A 91 0.359 9.038 3.809 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.864 7.810 6.100 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.049 9.072 6.949 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.499 6.634 6.830 1.00 0.00 C ATOM 0 H VAL A 91 -0.612 6.309 3.887 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.606 8.286 4.945 1.00 0.00 H new ATOM 0 HB VAL A 91 0.196 7.616 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.550 8.941 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.617 9.927 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.112 9.247 7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.999 6.487 7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.556 6.839 7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.397 5.733 6.225 1.00 0.00 H new ATOM 1218 N THR A 92 -1.585 10.091 3.599 1.00 0.00 N ATOM 1219 CA THR A 92 -0.993 11.212 2.818 1.00 0.00 C ATOM 1220 C THR A 92 -0.698 12.353 3.773 1.00 0.00 C ATOM 1221 O THR A 92 -1.457 12.578 4.695 1.00 0.00 O ATOM 1222 CB THR A 92 -2.003 11.702 1.781 1.00 0.00 C ATOM 1223 OG1 THR A 92 -3.100 12.153 2.561 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.573 10.540 0.976 1.00 0.00 C ATOM 0 H THR A 92 -2.584 10.174 3.786 1.00 0.00 H new ATOM 0 HA THR A 92 -0.085 10.876 2.318 1.00 0.00 H new ATOM 0 HB THR A 92 -1.541 12.430 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.805 12.491 1.970 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.288 10.919 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.764 10.025 0.457 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.075 9.843 1.648 1.00 0.00 H new ATOM 1232 N SER A 93 0.355 13.073 3.496 1.00 0.00 N ATOM 1233 CA SER A 93 0.712 14.198 4.401 1.00 0.00 C ATOM 1234 C SER A 93 1.054 15.406 3.555 1.00 0.00 C ATOM 1235 O SER A 93 1.965 15.333 2.756 1.00 0.00 O ATOM 1236 CB SER A 93 1.937 13.810 5.222 1.00 0.00 C ATOM 1237 OG SER A 93 1.428 12.862 6.150 1.00 0.00 O ATOM 0 H SER A 93 0.973 12.934 2.696 1.00 0.00 H new ATOM 0 HA SER A 93 -0.122 14.423 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.719 13.379 4.597 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.371 14.673 5.727 1.00 0.00 H new ATOM 0 HG SER A 93 2.154 12.549 6.729 1.00 0.00 H new ATOM 1243 N SER A 94 0.312 16.463 3.747 1.00 0.00 N ATOM 1244 CA SER A 94 0.561 17.708 2.973 1.00 0.00 C ATOM 1245 C SER A 94 0.492 18.902 3.925 1.00 0.00 C ATOM 1246 O SER A 94 -0.490 19.101 4.611 1.00 0.00 O ATOM 1247 CB SER A 94 -0.518 17.833 1.899 1.00 0.00 C ATOM 1248 OG SER A 94 -1.715 17.395 2.531 1.00 0.00 O ATOM 0 H SER A 94 -0.460 16.516 4.411 1.00 0.00 H new ATOM 0 HA SER A 94 1.544 17.681 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.610 18.861 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.283 17.219 1.029 1.00 0.00 H new ATOM 0 HG SER A 94 -1.816 17.851 3.393 1.00 0.00 H new ATOM 1254 N PRO A 95 1.566 19.642 3.968 1.00 0.00 N ATOM 1255 CA PRO A 95 2.543 19.567 5.081 1.00 0.00 C ATOM 1256 C PRO A 95 1.939 19.974 6.433 1.00 0.00 C ATOM 1257 O PRO A 95 2.604 19.914 7.448 1.00 0.00 O ATOM 1258 CB PRO A 95 3.671 20.529 4.682 1.00 0.00 C ATOM 1259 CG PRO A 95 3.244 21.230 3.356 1.00 0.00 C ATOM 1260 CD PRO A 95 1.906 20.612 2.904 1.00 0.00 C ATOM 0 HA PRO A 95 2.888 18.543 5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.842 21.266 5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.606 19.987 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.136 22.304 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.006 21.093 2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.133 21.373 2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.003 20.121 1.936 1.00 0.00 H new ATOM 1268 N SER A 96 0.696 20.378 6.423 1.00 0.00 N ATOM 1269 CA SER A 96 0.043 20.796 7.698 1.00 0.00 C ATOM 1270 C SER A 96 -1.040 19.801 8.137 1.00 0.00 C ATOM 1271 O SER A 96 -1.340 19.691 9.309 1.00 0.00 O ATOM 1272 CB SER A 96 -0.591 22.174 7.483 1.00 0.00 C ATOM 1273 OG SER A 96 -1.099 22.520 8.764 1.00 0.00 O ATOM 0 H SER A 96 0.108 20.436 5.592 1.00 0.00 H new ATOM 0 HA SER A 96 0.798 20.828 8.483 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.142 22.901 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.384 22.137 6.736 1.00 0.00 H new ATOM 0 HG SER A 96 -1.527 23.401 8.719 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.604 19.097 7.191 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.670 18.115 7.542 1.00 0.00 C ATOM 1281 C GLY A 97 -2.451 16.782 6.821 1.00 0.00 C ATOM 1282 O GLY A 97 -1.818 16.725 5.785 1.00 0.00 O ATOM 0 H GLY A 97 -1.375 19.159 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.678 17.952 8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.645 18.521 7.274 1.00 0.00 H new ATOM 1286 N SER A 98 -2.995 15.741 7.394 1.00 0.00 N ATOM 1287 CA SER A 98 -2.850 14.392 6.776 1.00 0.00 C ATOM 1288 C SER A 98 -4.215 13.708 6.660 1.00 0.00 C ATOM 1289 O SER A 98 -5.161 14.073 7.330 1.00 0.00 O ATOM 1290 CB SER A 98 -1.928 13.545 7.658 1.00 0.00 C ATOM 1291 OG SER A 98 -0.727 14.301 7.710 1.00 0.00 O ATOM 0 H SER A 98 -3.532 15.767 8.261 1.00 0.00 H new ATOM 0 HA SER A 98 -2.427 14.496 5.777 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.351 13.395 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.761 12.556 7.230 1.00 0.00 H new ATOM 0 HG SER A 98 -0.031 13.845 7.193 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.275 12.721 5.806 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.555 11.978 5.604 1.00 0.00 C ATOM 1299 C ASP A 99 -5.235 10.515 5.310 1.00 0.00 C ATOM 1300 O ASP A 99 -4.208 10.224 4.730 1.00 0.00 O ATOM 1301 CB ASP A 99 -6.303 12.581 4.411 1.00 0.00 C ATOM 1302 CG ASP A 99 -6.636 14.045 4.709 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -7.401 14.250 5.638 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -6.107 14.872 3.985 1.00 0.00 O ATOM 0 H ASP A 99 -3.492 12.396 5.238 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.174 12.050 6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.692 12.511 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.218 12.020 4.219 1.00 0.00 H new ATOM 1309 N THR A 100 -6.119 9.629 5.684 1.00 0.00 N ATOM 1310 CA THR A 100 -5.827 8.191 5.429 1.00 0.00 C ATOM 1311 C THR A 100 -6.941 7.452 4.682 1.00 0.00 C ATOM 1312 O THR A 100 -8.119 7.637 4.919 1.00 0.00 O ATOM 1313 CB THR A 100 -5.582 7.508 6.772 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.435 8.159 7.296 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.139 6.055 6.571 1.00 0.00 C ATOM 0 H THR A 100 -7.007 9.831 6.143 1.00 0.00 H new ATOM 0 HA THR A 100 -4.951 8.150 4.782 1.00 0.00 H new ATOM 0 HB THR A 100 -6.481 7.548 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.163 7.722 8.130 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.970 5.588 7.542 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.916 5.509 6.036 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.216 6.033 5.992 1.00 0.00 H new ATOM 1323 N THR A 101 -6.483 6.624 3.787 1.00 0.00 N ATOM 1324 CA THR A 101 -7.378 5.776 2.946 1.00 0.00 C ATOM 1325 C THR A 101 -7.137 4.309 3.348 1.00 0.00 C ATOM 1326 O THR A 101 -6.184 4.043 4.053 1.00 0.00 O ATOM 1327 CB THR A 101 -6.982 6.034 1.491 1.00 0.00 C ATOM 1328 OG1 THR A 101 -8.214 6.111 0.794 1.00 0.00 O ATOM 1329 CG2 THR A 101 -6.248 4.835 0.887 1.00 0.00 C ATOM 0 H THR A 101 -5.489 6.495 3.596 1.00 0.00 H new ATOM 0 HA THR A 101 -8.436 6.001 3.078 1.00 0.00 H new ATOM 0 HB THR A 101 -6.345 6.916 1.427 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.043 6.134 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.982 5.054 -0.147 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.342 4.636 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.896 3.959 0.917 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.947 3.376 2.910 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.675 1.969 3.356 1.00 0.00 C ATOM 1339 C TYR A 102 -7.813 0.864 2.302 1.00 0.00 C ATOM 1340 O TYR A 102 -8.895 0.447 1.941 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.614 1.617 4.500 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.506 2.665 5.599 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.163 3.870 5.479 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.756 2.409 6.723 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -9.073 4.815 6.480 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.661 3.353 7.725 1.00 0.00 C ATOM 1347 CZ TYR A 102 -8.319 4.563 7.610 1.00 0.00 C ATOM 1348 OH TYR A 102 -8.224 5.508 8.610 1.00 0.00 O ATOM 0 H TYR A 102 -8.748 3.512 2.293 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.621 1.986 3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.640 1.563 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.364 0.633 4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.751 4.076 4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.239 1.466 6.822 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.594 5.756 6.380 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.069 3.145 8.604 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.655 5.165 9.331 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.692 0.411 1.819 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.715 -0.704 0.836 1.00 0.00 C ATOM 1360 C PHE A 103 -6.664 -2.011 1.612 1.00 0.00 C ATOM 1361 O PHE A 103 -5.628 -2.392 2.114 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.472 -0.655 -0.043 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.529 0.589 -0.909 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.064 1.796 -0.429 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -6.066 0.512 -2.177 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.135 2.924 -1.215 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.139 1.640 -2.964 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.678 2.846 -2.478 1.00 0.00 C ATOM 0 H PHE A 103 -5.766 0.762 2.061 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.611 -0.624 0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.574 -0.643 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.417 -1.547 -0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.644 1.856 0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.429 -0.433 -2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.766 3.868 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.556 1.581 -3.959 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.743 3.733 -3.091 1.00 0.00 H new ATOM 1378 N SER A 104 -7.773 -2.674 1.736 1.00 0.00 N ATOM 1379 CA SER A 104 -7.705 -3.966 2.470 1.00 0.00 C ATOM 1380 C SER A 104 -7.130 -4.974 1.477 1.00 0.00 C ATOM 1381 O SER A 104 -7.765 -5.331 0.508 1.00 0.00 O ATOM 1382 CB SER A 104 -9.118 -4.384 2.902 1.00 0.00 C ATOM 1383 OG SER A 104 -9.971 -3.420 2.302 1.00 0.00 O ATOM 0 H SER A 104 -8.688 -2.397 1.380 1.00 0.00 H new ATOM 0 HA SER A 104 -7.091 -3.900 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.356 -5.392 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.218 -4.383 3.987 1.00 0.00 H new ATOM 0 HG SER A 104 -10.379 -2.865 2.999 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.924 -5.412 1.716 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.325 -6.374 0.752 1.00 0.00 C ATOM 1391 C VAL A 105 -4.980 -7.643 1.515 1.00 0.00 C ATOM 1392 O VAL A 105 -4.286 -7.627 2.512 1.00 0.00 O ATOM 1393 CB VAL A 105 -4.067 -5.753 0.109 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -4.088 -4.233 0.300 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.803 -6.336 0.746 1.00 0.00 C ATOM 0 H VAL A 105 -5.342 -5.154 2.513 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.025 -6.609 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.063 -5.985 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.199 -3.797 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.978 -3.819 -0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.102 -4.000 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.923 -5.889 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.801 -6.119 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.784 -7.415 0.595 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.523 -8.727 1.047 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.248 -10.010 1.741 1.00 0.00 C ATOM 1407 C ASN A 106 -4.802 -11.072 0.748 1.00 0.00 C ATOM 1408 O ASN A 106 -5.513 -11.425 -0.171 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.526 -10.455 2.460 1.00 0.00 C ATOM 1410 CG ASN A 106 -6.674 -11.974 2.345 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.387 -12.458 1.366 1.00 0.00 O flip ATOM 1412 ND2 ASN A 106 -6.133 -12.728 3.129 1.00 0.00 N flip ATOM 0 H ASN A 106 -6.133 -8.782 0.231 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.443 -9.872 2.463 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.487 -10.161 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.393 -9.960 2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.575 -12.352 3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.237 -13.737 3.021 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.588 -11.515 0.910 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.121 -12.579 -0.016 1.00 0.00 C ATOM 1421 C VAL A 107 -2.758 -13.859 0.735 1.00 0.00 C ATOM 1422 O VAL A 107 -2.109 -13.837 1.761 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.913 -12.078 -0.791 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.783 -11.769 0.187 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.475 -13.206 -1.726 1.00 0.00 C ATOM 0 H VAL A 107 -2.921 -11.201 1.615 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.935 -12.815 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.155 -11.176 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.086 -11.409 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.110 -11.003 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.517 -12.674 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.607 -12.885 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.215 -14.086 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.291 -13.453 -2.406 1.00 0.00 H new ATOM 1435 N SER A 108 -3.217 -14.947 0.182 1.00 0.00 N ATOM 1436 CA SER A 108 -2.931 -16.273 0.798 1.00 0.00 C ATOM 1437 C SER A 108 -3.114 -17.382 -0.235 1.00 0.00 C ATOM 1438 O SER A 108 -3.664 -17.166 -1.297 1.00 0.00 O ATOM 1439 CB SER A 108 -3.899 -16.503 1.961 1.00 0.00 C ATOM 1440 OG SER A 108 -3.638 -17.843 2.357 1.00 0.00 O ATOM 0 H SER A 108 -3.778 -14.975 -0.670 1.00 0.00 H new ATOM 0 HA SER A 108 -1.902 -16.288 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.719 -15.802 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.936 -16.372 1.651 1.00 0.00 H new ATOM 0 HG SER A 108 -4.220 -18.081 3.109 1.00 0.00 H new