USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 638 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Set 2.1: A 82 SER OG : rot -54:sc= 2.01 USER MOD Set 2.2: A 98 LYS NZ :NH3+ 157:sc= 0.315 (180deg=-0.829) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 1.13 (180deg=1.02) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.753 F(o=-1.3,f=-0.75) USER MOD Single : A 52 SER OG : rot -31:sc= 0.205 USER MOD Single : A 62 GLN : amide:sc= -0.757 X(o=-0.76,f=-0.65) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -160:sc= 0.00493 USER MOD Single : A 68 HIS : no HD1:sc= -0.779 K(o=-0.78,f=-1.8) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.23) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -3! C(o=-3!,f=-3.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 108:sc= 1.26 USER MOD Single : A 84 SER OG : rot -12:sc= 1.15 USER MOD Single : A 85 SER OG : rot -140:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.64 K(o=0.64,f=-7.7!) USER MOD Single : A 95 CYS SG : rot -134:sc= -0.565 USER MOD Single : A 97 GLN :FLIP amide:sc= -1.37 F(o=-2.4!,f=-1.4) USER MOD Single : A 102 MET CE :methyl -164:sc= -2.63! (180deg=-2.69!) USER MOD Single : A 107 SER OG : rot 130:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -6.000 5.933 -6.515 1.00 0.00 N ATOM 180 CA TYR A 16 -5.528 5.204 -7.690 1.00 0.00 C ATOM 181 C TYR A 16 -4.217 4.468 -7.410 1.00 0.00 C ATOM 182 O TYR A 16 -4.195 3.239 -7.498 1.00 0.00 O ATOM 183 CB TYR A 16 -5.369 6.151 -8.881 1.00 0.00 C ATOM 184 CG TYR A 16 -4.717 7.491 -8.596 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.473 8.540 -8.037 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.351 7.682 -8.873 1.00 0.00 C ATOM 187 CE1 TYR A 16 -4.869 9.779 -7.779 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.731 8.905 -8.568 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.504 9.977 -8.075 1.00 0.00 C ATOM 190 OH TYR A 16 -2.974 11.224 -7.970 1.00 0.00 O ATOM 0 HA TYR A 16 -6.280 4.454 -7.936 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.783 5.642 -9.646 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.356 6.335 -9.305 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.518 8.390 -7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.777 6.885 -9.322 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.450 10.583 -7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.667 9.024 -8.710 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.452 11.725 -7.277 1.00 0.00 H new ATOM 200 N ILE A 17 -3.159 5.211 -7.065 1.00 0.00 N ATOM 201 CA ILE A 17 -1.773 4.765 -6.904 1.00 0.00 C ATOM 202 C ILE A 17 -1.165 4.330 -8.263 1.00 0.00 C ATOM 203 O ILE A 17 -1.382 3.204 -8.717 1.00 0.00 O ATOM 204 CB ILE A 17 -1.675 3.700 -5.778 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.392 4.103 -4.468 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.223 3.315 -5.476 1.00 0.00 C ATOM 207 CD1 ILE A 17 -1.986 5.473 -3.913 1.00 0.00 C ATOM 0 H ILE A 17 -3.257 6.209 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.154 5.599 -6.575 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.201 2.832 -6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.468 4.101 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.191 3.345 -3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.202 2.568 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.239 2.904 -6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.329 4.199 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.538 5.672 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.917 5.478 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.214 6.245 -4.648 1.00 0.00 H new ATOM 219 N PRO A 18 -0.402 5.204 -8.945 1.00 0.00 N ATOM 220 CA PRO A 18 0.195 4.957 -10.258 1.00 0.00 C ATOM 221 C PRO A 18 1.499 4.154 -10.124 1.00 0.00 C ATOM 222 O PRO A 18 2.482 4.663 -9.587 1.00 0.00 O ATOM 223 CB PRO A 18 0.447 6.360 -10.824 1.00 0.00 C ATOM 224 CG PRO A 18 0.723 7.213 -9.583 1.00 0.00 C ATOM 225 CD PRO A 18 0.003 6.510 -8.454 1.00 0.00 C ATOM 0 HA PRO A 18 -0.445 4.363 -10.910 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.294 6.368 -11.511 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.416 6.728 -11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.792 7.285 -9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.353 8.230 -9.714 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.655 6.409 -7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.865 7.086 -8.134 1.00 0.00 H new ATOM 233 N LEU A 19 1.523 2.892 -10.580 1.00 0.00 N ATOM 234 CA LEU A 19 2.682 1.998 -10.430 1.00 0.00 C ATOM 235 C LEU A 19 3.915 2.587 -11.119 1.00 0.00 C ATOM 236 O LEU A 19 4.999 2.547 -10.548 1.00 0.00 O ATOM 237 CB LEU A 19 2.366 0.558 -10.914 1.00 0.00 C ATOM 238 CG LEU A 19 1.522 -0.279 -9.923 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.956 -1.575 -10.507 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.328 -0.677 -8.685 1.00 0.00 C ATOM 0 H LEU A 19 0.736 2.461 -11.065 1.00 0.00 H new ATOM 0 HA LEU A 19 2.910 1.919 -9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.836 0.615 -11.865 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.305 0.037 -11.103 1.00 0.00 H new ATOM 0 HG LEU A 19 0.696 0.387 -9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.379 -2.097 -9.743 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.310 -1.341 -11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.775 -2.212 -10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.699 -1.263 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.190 -1.272 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.670 0.220 -8.169 1.00 0.00 H new ATOM 252 N ASP A 20 3.761 3.213 -12.286 1.00 0.00 N ATOM 253 CA ASP A 20 4.880 3.804 -13.024 1.00 0.00 C ATOM 254 C ASP A 20 5.681 4.811 -12.186 1.00 0.00 C ATOM 255 O ASP A 20 6.893 4.941 -12.370 1.00 0.00 O ATOM 256 CB ASP A 20 4.370 4.515 -14.286 1.00 0.00 C ATOM 257 CG ASP A 20 4.354 3.646 -15.540 1.00 0.00 C ATOM 258 OD1 ASP A 20 5.316 2.885 -15.784 1.00 0.00 O ATOM 259 OD2 ASP A 20 3.426 3.863 -16.364 1.00 0.00 O ATOM 0 H ASP A 20 2.858 3.325 -12.747 1.00 0.00 H new ATOM 0 HA ASP A 20 5.542 2.979 -13.287 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.360 4.879 -14.099 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.995 5.389 -14.473 1.00 0.00 H new ATOM 264 N ARG A 21 5.036 5.554 -11.281 1.00 0.00 N ATOM 265 CA ARG A 21 5.667 6.567 -10.438 1.00 0.00 C ATOM 266 C ARG A 21 6.334 5.986 -9.186 1.00 0.00 C ATOM 267 O ARG A 21 6.929 6.758 -8.421 1.00 0.00 O ATOM 268 CB ARG A 21 4.590 7.615 -10.083 1.00 0.00 C ATOM 269 CG ARG A 21 4.840 8.983 -10.739 1.00 0.00 C ATOM 270 CD ARG A 21 5.082 10.088 -9.697 1.00 0.00 C ATOM 271 NE ARG A 21 6.057 11.090 -10.149 1.00 0.00 N ATOM 272 CZ ARG A 21 5.824 12.288 -10.695 1.00 0.00 C ATOM 273 NH1 ARG A 21 4.591 12.722 -10.921 1.00 0.00 N ATOM 274 NH2 ARG A 21 6.837 13.074 -11.019 1.00 0.00 N ATOM 0 H ARG A 21 4.034 5.463 -11.112 1.00 0.00 H new ATOM 0 HA ARG A 21 6.484 7.030 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.614 7.243 -10.393 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.555 7.739 -9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.703 8.915 -11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.983 9.250 -11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.137 10.582 -9.472 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.435 9.636 -8.770 1.00 0.00 H new ATOM 0 HE ARG A 21 7.039 10.839 -10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.792 12.137 -10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.442 13.641 -11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.795 12.766 -10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.660 13.988 -11.436 1.00 0.00 H new ATOM 288 N LEU A 22 6.247 4.679 -8.945 1.00 0.00 N ATOM 289 CA LEU A 22 6.852 4.010 -7.798 1.00 0.00 C ATOM 290 C LEU A 22 8.009 3.126 -8.278 1.00 0.00 C ATOM 291 O LEU A 22 8.245 2.971 -9.477 1.00 0.00 O ATOM 292 CB LEU A 22 5.806 3.188 -7.014 1.00 0.00 C ATOM 293 CG LEU A 22 4.509 3.910 -6.609 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.577 2.964 -5.848 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.740 5.150 -5.748 1.00 0.00 C ATOM 0 H LEU A 22 5.740 4.041 -9.559 1.00 0.00 H new ATOM 0 HA LEU A 22 7.242 4.763 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.537 2.321 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.281 2.812 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 22 4.056 4.234 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.666 3.495 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.323 2.115 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.077 2.607 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.781 5.606 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.253 4.865 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.351 5.866 -6.297 1.00 0.00 H new ATOM 307 N SER A 23 8.706 2.528 -7.319 1.00 0.00 N ATOM 308 CA SER A 23 9.850 1.645 -7.498 1.00 0.00 C ATOM 309 C SER A 23 9.362 0.262 -7.079 1.00 0.00 C ATOM 310 O SER A 23 9.292 -0.022 -5.885 1.00 0.00 O ATOM 311 CB SER A 23 11.032 2.161 -6.651 1.00 0.00 C ATOM 312 OG SER A 23 12.298 1.671 -7.063 1.00 0.00 O ATOM 0 H SER A 23 8.472 2.656 -6.334 1.00 0.00 H new ATOM 0 HA SER A 23 10.218 1.608 -8.523 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.045 3.250 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.868 1.882 -5.610 1.00 0.00 H new ATOM 0 HG SER A 23 12.996 2.041 -6.483 1.00 0.00 H new ATOM 318 N ILE A 24 8.910 -0.555 -8.031 1.00 0.00 N ATOM 319 CA ILE A 24 8.325 -1.863 -7.750 1.00 0.00 C ATOM 320 C ILE A 24 9.468 -2.868 -7.738 1.00 0.00 C ATOM 321 O ILE A 24 10.335 -2.797 -8.617 1.00 0.00 O ATOM 322 CB ILE A 24 7.257 -2.222 -8.811 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.989 -1.358 -8.711 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.740 -3.667 -8.703 1.00 0.00 C ATOM 325 CD1 ILE A 24 6.128 0.089 -9.152 1.00 0.00 C ATOM 0 H ILE A 24 8.940 -0.325 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 24 7.814 -1.867 -6.787 1.00 0.00 H new ATOM 0 HB ILE A 24 7.793 -2.056 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.208 -1.825 -9.310 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.647 -1.370 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.995 -3.846 -9.478 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.571 -4.361 -8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.288 -3.819 -7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.171 0.598 -9.037 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.880 0.586 -8.538 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.433 0.123 -10.198 1.00 0.00 H new ATOM 337 N SER A 25 9.462 -3.811 -6.792 1.00 0.00 N ATOM 338 CA SER A 25 10.493 -4.829 -6.765 1.00 0.00 C ATOM 339 C SER A 25 9.991 -6.158 -6.182 1.00 0.00 C ATOM 340 O SER A 25 9.702 -6.254 -4.988 1.00 0.00 O ATOM 341 CB SER A 25 11.659 -4.233 -5.971 1.00 0.00 C ATOM 342 OG SER A 25 12.837 -4.749 -6.528 1.00 0.00 O ATOM 0 H SER A 25 8.765 -3.884 -6.051 1.00 0.00 H new ATOM 0 HA SER A 25 10.811 -5.089 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.649 -3.145 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.583 -4.497 -4.916 1.00 0.00 H new ATOM 0 HG SER A 25 13.611 -4.389 -6.047 1.00 0.00 H new ATOM 348 N TYR A 26 9.950 -7.225 -6.986 1.00 0.00 N ATOM 349 CA TYR A 26 9.617 -8.575 -6.504 1.00 0.00 C ATOM 350 C TYR A 26 10.896 -9.369 -6.156 1.00 0.00 C ATOM 351 O TYR A 26 11.972 -9.079 -6.679 1.00 0.00 O ATOM 352 CB TYR A 26 8.748 -9.326 -7.526 1.00 0.00 C ATOM 353 CG TYR A 26 7.749 -8.511 -8.331 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.743 -7.748 -7.708 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.862 -8.480 -9.729 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.949 -6.869 -8.459 1.00 0.00 C ATOM 357 CE2 TYR A 26 7.018 -7.665 -10.496 1.00 0.00 C ATOM 358 CZ TYR A 26 6.056 -6.843 -9.872 1.00 0.00 C ATOM 359 OH TYR A 26 5.254 -6.054 -10.646 1.00 0.00 O ATOM 0 H TYR A 26 10.145 -7.181 -7.986 1.00 0.00 H new ATOM 0 HA TYR A 26 9.034 -8.474 -5.589 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.413 -9.830 -8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.198 -10.102 -6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.582 -7.840 -6.644 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.606 -9.090 -10.219 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.254 -6.210 -7.959 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.105 -7.666 -11.573 1.00 0.00 H new ATOM 0 HH TYR A 26 5.485 -6.179 -11.590 1.00 0.00 H new ATOM 369 N CYS A 27 10.810 -10.353 -5.256 1.00 0.00 N ATOM 370 CA CYS A 27 11.910 -11.148 -4.694 1.00 0.00 C ATOM 371 C CYS A 27 11.297 -12.363 -3.964 1.00 0.00 C ATOM 372 O CYS A 27 10.205 -12.806 -4.325 1.00 0.00 O ATOM 373 CB CYS A 27 12.756 -10.287 -3.732 1.00 0.00 C ATOM 374 SG CYS A 27 14.472 -10.875 -3.719 1.00 0.00 S ATOM 0 H CYS A 27 9.908 -10.636 -4.873 1.00 0.00 H new ATOM 0 HA CYS A 27 12.574 -11.495 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.723 -9.242 -4.042 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.339 -10.335 -2.726 1.00 0.00 H new ATOM 0 HG CYS A 27 15.176 -10.142 -2.908 1.00 0.00 H new ATOM 585 N LYS A 43 7.183 -11.855 -4.030 1.00 0.00 N ATOM 586 CA LYS A 43 7.262 -10.769 -3.039 1.00 0.00 C ATOM 587 C LYS A 43 6.760 -9.486 -3.693 1.00 0.00 C ATOM 588 O LYS A 43 6.763 -9.433 -4.927 1.00 0.00 O ATOM 589 CB LYS A 43 8.707 -10.577 -2.556 1.00 0.00 C ATOM 590 CG LYS A 43 8.859 -9.710 -1.300 1.00 0.00 C ATOM 591 CD LYS A 43 9.988 -8.689 -1.314 1.00 0.00 C ATOM 592 CE LYS A 43 10.611 -8.490 0.069 1.00 0.00 C ATOM 593 NZ LYS A 43 11.915 -7.788 0.031 1.00 0.00 N ATOM 0 HA LYS A 43 6.649 -11.020 -2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.142 -11.557 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.287 -10.128 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.921 -9.180 -1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.006 -10.370 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.759 -9.013 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.607 -7.735 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.920 -7.923 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.744 -9.463 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.177 -7.490 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.643 -8.429 -0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.841 -6.951 -0.583 1.00 0.00 H new ATOM 607 N ALA A 44 6.314 -8.465 -2.961 1.00 0.00 N ATOM 608 CA ALA A 44 6.167 -7.157 -3.574 1.00 0.00 C ATOM 609 C ALA A 44 6.670 -6.072 -2.643 1.00 0.00 C ATOM 610 O ALA A 44 6.069 -5.806 -1.611 1.00 0.00 O ATOM 611 CB ALA A 44 4.728 -6.921 -4.016 1.00 0.00 C ATOM 0 H ALA A 44 6.057 -8.519 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 44 6.783 -7.121 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.645 -5.934 -4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.441 -7.682 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.068 -6.978 -3.151 1.00 0.00 H new ATOM 617 N GLU A 45 7.773 -5.433 -3.018 1.00 0.00 N ATOM 618 CA GLU A 45 8.406 -4.376 -2.249 1.00 0.00 C ATOM 619 C GLU A 45 8.284 -3.140 -3.103 1.00 0.00 C ATOM 620 O GLU A 45 8.809 -3.104 -4.212 1.00 0.00 O ATOM 621 CB GLU A 45 9.858 -4.761 -1.995 1.00 0.00 C ATOM 622 CG GLU A 45 10.785 -3.668 -1.454 1.00 0.00 C ATOM 623 CD GLU A 45 12.221 -4.193 -1.373 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.425 -5.443 -1.394 1.00 0.00 O ATOM 625 OE2 GLU A 45 13.163 -3.384 -1.295 1.00 0.00 O ATOM 0 H GLU A 45 8.261 -5.644 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 45 7.948 -4.208 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.869 -5.593 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.279 -5.129 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.745 -2.792 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.449 -3.350 -0.467 1.00 0.00 H new ATOM 632 N VAL A 46 7.505 -2.172 -2.656 1.00 0.00 N ATOM 633 CA VAL A 46 7.355 -0.896 -3.322 1.00 0.00 C ATOM 634 C VAL A 46 8.137 0.128 -2.509 1.00 0.00 C ATOM 635 O VAL A 46 8.020 0.174 -1.281 1.00 0.00 O ATOM 636 CB VAL A 46 5.864 -0.581 -3.570 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.114 -0.040 -2.364 1.00 0.00 C ATOM 638 CG2 VAL A 46 5.709 0.376 -4.750 1.00 0.00 C ATOM 0 H VAL A 46 6.950 -2.254 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 46 7.776 -0.889 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 46 5.405 -1.544 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.076 0.151 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.149 -0.771 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.579 0.889 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.652 0.587 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.236 1.306 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.128 -0.081 -5.647 1.00 0.00 H new ATOM 648 N ARG A 47 8.951 0.924 -3.196 1.00 0.00 N ATOM 649 CA ARG A 47 9.679 2.055 -2.644 1.00 0.00 C ATOM 650 C ARG A 47 9.244 3.291 -3.427 1.00 0.00 C ATOM 651 O ARG A 47 8.967 3.180 -4.620 1.00 0.00 O ATOM 652 CB ARG A 47 11.188 1.756 -2.704 1.00 0.00 C ATOM 653 CG ARG A 47 12.093 2.920 -2.319 1.00 0.00 C ATOM 654 CD ARG A 47 13.511 2.444 -1.975 1.00 0.00 C ATOM 655 NE ARG A 47 14.170 1.654 -3.020 1.00 0.00 N ATOM 656 CZ ARG A 47 14.565 2.074 -4.226 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.502 3.349 -4.599 1.00 0.00 N ATOM 658 NH2 ARG A 47 15.046 1.177 -5.071 1.00 0.00 N ATOM 0 H ARG A 47 9.126 0.791 -4.192 1.00 0.00 H new ATOM 0 HA ARG A 47 9.459 2.238 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.403 0.915 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.440 1.439 -3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.138 3.634 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.667 3.445 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.128 3.316 -1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.467 1.848 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 47 14.347 0.673 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.141 4.052 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.815 3.624 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.107 0.197 -4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.356 1.465 -5.999 1.00 0.00 H new ATOM 672 N PHE A 48 9.121 4.451 -2.791 1.00 0.00 N ATOM 673 CA PHE A 48 8.995 5.723 -3.501 1.00 0.00 C ATOM 674 C PHE A 48 9.604 6.850 -2.684 1.00 0.00 C ATOM 675 O PHE A 48 9.551 6.805 -1.454 1.00 0.00 O ATOM 676 CB PHE A 48 7.530 6.014 -3.843 1.00 0.00 C ATOM 677 CG PHE A 48 6.545 6.030 -2.681 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.922 4.839 -2.255 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.211 7.246 -2.057 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.956 4.868 -1.231 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.249 7.276 -1.031 1.00 0.00 C ATOM 682 CZ PHE A 48 4.602 6.092 -0.639 1.00 0.00 C ATOM 0 H PHE A 48 9.106 4.538 -1.775 1.00 0.00 H new ATOM 0 HA PHE A 48 9.545 5.651 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.483 6.982 -4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.194 5.268 -4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.187 3.899 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.695 8.160 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.488 3.952 -0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.008 8.210 -0.544 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.832 6.123 0.118 1.00 0.00 H new ATOM 692 N HIS A 49 10.130 7.887 -3.340 1.00 0.00 N ATOM 693 CA HIS A 49 10.530 9.122 -2.677 1.00 0.00 C ATOM 694 C HIS A 49 9.283 9.913 -2.330 1.00 0.00 C ATOM 695 O HIS A 49 8.668 10.553 -3.183 1.00 0.00 O ATOM 696 CB HIS A 49 11.533 9.906 -3.532 1.00 0.00 C ATOM 697 CG HIS A 49 12.132 11.080 -2.796 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.508 11.105 -1.478 1.00 0.00 N flip ATOM 699 CD2 HIS A 49 12.377 12.331 -3.316 1.00 0.00 C flip ATOM 700 CE1 HIS A 49 12.929 12.401 -1.181 1.00 0.00 C flip ATOM 701 NE2 HIS A 49 12.843 13.104 -2.324 1.00 0.00 N flip ATOM 0 H HIS A 49 10.289 7.890 -4.347 1.00 0.00 H new ATOM 0 HA HIS A 49 11.055 8.902 -1.747 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.332 9.237 -3.853 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.035 10.263 -4.433 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.222 12.636 -4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.260 12.768 -0.221 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.097 14.087 -2.423 1.00 0.00 H new ATOM 709 N LEU A 50 8.910 9.834 -1.057 1.00 0.00 N ATOM 710 CA LEU A 50 7.696 10.399 -0.504 1.00 0.00 C ATOM 711 C LEU A 50 7.680 11.911 -0.731 1.00 0.00 C ATOM 712 O LEU A 50 6.635 12.457 -1.069 1.00 0.00 O ATOM 713 CB LEU A 50 7.624 9.943 0.967 1.00 0.00 C ATOM 714 CG LEU A 50 6.715 10.704 1.938 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.261 12.103 2.222 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.249 10.717 1.501 1.00 0.00 C ATOM 0 H LEU A 50 9.474 9.352 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 50 6.789 10.047 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.311 8.899 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.636 9.974 1.371 1.00 0.00 H new ATOM 0 HG LEU A 50 6.725 10.155 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.596 12.620 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.254 12.023 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.323 12.665 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.657 11.271 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.164 11.196 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.880 9.694 1.436 1.00 0.00 H new ATOM 728 N ALA A 51 8.817 12.599 -0.583 1.00 0.00 N ATOM 729 CA ALA A 51 8.836 14.051 -0.706 1.00 0.00 C ATOM 730 C ALA A 51 8.400 14.506 -2.099 1.00 0.00 C ATOM 731 O ALA A 51 7.641 15.466 -2.223 1.00 0.00 O ATOM 732 CB ALA A 51 10.214 14.589 -0.360 1.00 0.00 C ATOM 0 H ALA A 51 9.723 12.176 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 51 8.115 14.459 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.215 15.675 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.465 14.315 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.952 14.164 -1.040 1.00 0.00 H new ATOM 738 N SER A 52 8.815 13.764 -3.120 1.00 0.00 N ATOM 739 CA SER A 52 8.546 14.037 -4.517 1.00 0.00 C ATOM 740 C SER A 52 7.319 13.242 -5.011 1.00 0.00 C ATOM 741 O SER A 52 7.050 13.210 -6.216 1.00 0.00 O ATOM 742 CB SER A 52 9.866 13.759 -5.251 1.00 0.00 C ATOM 743 OG SER A 52 9.845 14.052 -6.632 1.00 0.00 O ATOM 0 H SER A 52 9.372 12.920 -2.985 1.00 0.00 H new ATOM 0 HA SER A 52 8.254 15.069 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.657 14.343 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.125 12.708 -5.120 1.00 0.00 H new ATOM 0 HG SER A 52 8.943 13.901 -6.985 1.00 0.00 H new ATOM 749 N ALA A 53 6.554 12.601 -4.113 1.00 0.00 N ATOM 750 CA ALA A 53 5.309 11.923 -4.447 1.00 0.00 C ATOM 751 C ALA A 53 4.214 12.975 -4.666 1.00 0.00 C ATOM 752 O ALA A 53 3.347 13.174 -3.820 1.00 0.00 O ATOM 753 CB ALA A 53 4.945 10.924 -3.341 1.00 0.00 C ATOM 0 H ALA A 53 6.794 12.543 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 53 5.419 11.352 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.013 10.421 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.741 10.186 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.823 11.455 -2.397 1.00 0.00 H new ATOM 759 N ASP A 54 4.258 13.670 -5.803 1.00 0.00 N ATOM 760 CA ASP A 54 3.437 14.858 -6.094 1.00 0.00 C ATOM 761 C ASP A 54 1.942 14.565 -6.148 1.00 0.00 C ATOM 762 O ASP A 54 1.122 15.479 -6.102 1.00 0.00 O ATOM 763 CB ASP A 54 3.834 15.467 -7.445 1.00 0.00 C ATOM 764 CG ASP A 54 5.281 15.937 -7.514 1.00 0.00 C ATOM 765 OD1 ASP A 54 5.894 16.259 -6.468 1.00 0.00 O ATOM 766 OD2 ASP A 54 5.841 15.851 -8.634 1.00 0.00 O ATOM 0 H ASP A 54 4.881 13.420 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 54 3.626 15.547 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.666 14.728 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.178 16.311 -7.657 1.00 0.00 H new ATOM 771 N TRP A 55 1.591 13.290 -6.271 1.00 0.00 N ATOM 772 CA TRP A 55 0.247 12.740 -6.269 1.00 0.00 C ATOM 773 C TRP A 55 -0.337 12.641 -4.849 1.00 0.00 C ATOM 774 O TRP A 55 -1.500 12.272 -4.691 1.00 0.00 O ATOM 775 CB TRP A 55 0.326 11.369 -6.957 1.00 0.00 C ATOM 776 CG TRP A 55 1.368 10.436 -6.432 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.670 10.398 -6.793 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.214 9.447 -5.387 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.325 9.444 -6.040 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.490 8.891 -5.093 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.118 8.996 -4.635 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.687 8.002 -4.025 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.296 8.081 -3.590 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.581 7.621 -3.243 1.00 0.00 C ATOM 0 H TRP A 55 2.295 12.561 -6.383 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.434 13.399 -6.809 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.646 10.884 -6.870 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.509 11.527 -8.020 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.126 11.017 -7.551 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.302 9.182 -6.168 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.873 9.358 -4.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.672 7.616 -3.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.564 7.723 -3.043 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.716 6.981 -2.384 1.00 0.00 H new ATOM 795 N ILE A 56 0.444 12.944 -3.812 1.00 0.00 N ATOM 796 CA ILE A 56 0.009 13.033 -2.425 1.00 0.00 C ATOM 797 C ILE A 56 -0.214 14.512 -2.105 1.00 0.00 C ATOM 798 O ILE A 56 0.430 15.405 -2.658 1.00 0.00 O ATOM 799 CB ILE A 56 1.078 12.373 -1.512 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.369 10.909 -1.915 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.663 12.412 -0.037 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.392 10.196 -1.014 1.00 0.00 C ATOM 0 H ILE A 56 1.438 13.142 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.925 12.499 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 56 1.987 12.959 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.435 10.348 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.733 10.893 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.436 11.941 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.535 13.448 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.277 11.875 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.538 9.175 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.341 10.730 -1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.023 10.177 0.011 1.00 0.00 H new ATOM 814 N GLU A 57 -1.154 14.768 -1.205 1.00 0.00 N ATOM 815 CA GLU A 57 -1.420 16.073 -0.624 1.00 0.00 C ATOM 816 C GLU A 57 -0.188 16.523 0.137 1.00 0.00 C ATOM 817 O GLU A 57 0.381 15.744 0.894 1.00 0.00 O ATOM 818 CB GLU A 57 -2.617 15.972 0.342 1.00 0.00 C ATOM 819 CG GLU A 57 -3.721 15.043 -0.125 1.00 0.00 C ATOM 820 CD GLU A 57 -5.039 15.305 0.610 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.494 16.482 0.575 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.600 14.378 1.219 1.00 0.00 O ATOM 0 H GLU A 57 -1.775 14.042 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.656 16.791 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.257 15.630 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.035 16.968 0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.872 15.169 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.416 14.009 0.034 1.00 0.00 H new ATOM 829 N GLU A 58 0.166 17.798 0.033 1.00 0.00 N ATOM 830 CA GLU A 58 1.188 18.389 0.878 1.00 0.00 C ATOM 831 C GLU A 58 1.008 18.059 2.376 1.00 0.00 C ATOM 832 O GLU A 58 1.985 17.616 2.993 1.00 0.00 O ATOM 833 CB GLU A 58 1.236 19.898 0.621 1.00 0.00 C ATOM 834 CG GLU A 58 2.588 20.487 1.042 1.00 0.00 C ATOM 835 CD GLU A 58 3.658 20.341 -0.043 1.00 0.00 C ATOM 836 OE1 GLU A 58 3.832 19.224 -0.586 1.00 0.00 O ATOM 837 OE2 GLU A 58 4.343 21.344 -0.356 1.00 0.00 O ATOM 0 H GLU A 58 -0.247 18.446 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 58 2.147 17.946 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.063 20.096 -0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.434 20.390 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.461 21.543 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.928 19.992 1.951 1.00 0.00 H new ATOM 844 N PRO A 59 -0.196 18.184 2.986 1.00 0.00 N ATOM 845 CA PRO A 59 -0.348 17.908 4.409 1.00 0.00 C ATOM 846 C PRO A 59 -0.224 16.413 4.721 1.00 0.00 C ATOM 847 O PRO A 59 -0.094 16.034 5.882 1.00 0.00 O ATOM 848 CB PRO A 59 -1.711 18.474 4.802 1.00 0.00 C ATOM 849 CG PRO A 59 -2.528 18.402 3.518 1.00 0.00 C ATOM 850 CD PRO A 59 -1.493 18.527 2.403 1.00 0.00 C ATOM 0 HA PRO A 59 0.448 18.376 4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.170 17.890 5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.628 19.499 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.076 17.463 3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.264 19.205 3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.734 17.859 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.480 19.540 2.000 1.00 0.00 H new ATOM 858 N VAL A 60 -0.262 15.558 3.699 1.00 0.00 N ATOM 859 CA VAL A 60 -0.169 14.118 3.816 1.00 0.00 C ATOM 860 C VAL A 60 1.269 13.667 3.540 1.00 0.00 C ATOM 861 O VAL A 60 1.755 12.776 4.233 1.00 0.00 O ATOM 862 CB VAL A 60 -1.242 13.478 2.919 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.134 11.957 2.926 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.651 13.856 3.409 1.00 0.00 C ATOM 0 H VAL A 60 -0.362 15.870 2.733 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.381 13.777 4.829 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.078 13.852 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.906 11.534 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.152 11.660 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.267 11.587 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.397 13.394 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.788 13.502 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.767 14.939 3.381 1.00 0.00 H new ATOM 874 N ARG A 61 1.999 14.314 2.618 1.00 0.00 N ATOM 875 CA ARG A 61 3.417 14.053 2.369 1.00 0.00 C ATOM 876 C ARG A 61 4.166 14.129 3.686 1.00 0.00 C ATOM 877 O ARG A 61 4.807 13.165 4.098 1.00 0.00 O ATOM 878 CB ARG A 61 4.027 15.036 1.340 1.00 0.00 C ATOM 879 CG ARG A 61 3.624 14.717 -0.106 1.00 0.00 C ATOM 880 CD ARG A 61 4.637 15.199 -1.155 1.00 0.00 C ATOM 881 NE ARG A 61 4.448 16.606 -1.561 1.00 0.00 N ATOM 882 CZ ARG A 61 4.619 17.078 -2.805 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.354 16.410 -3.693 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.054 18.235 -3.117 1.00 0.00 N ATOM 0 H ARG A 61 1.611 15.042 2.019 1.00 0.00 H new ATOM 0 HA ARG A 61 3.511 13.056 1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.712 16.050 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.114 15.012 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.495 13.639 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.656 15.174 -0.313 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.644 15.077 -0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.564 14.563 -2.037 1.00 0.00 H new ATOM 0 HE ARG A 61 4.166 17.270 -0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.795 15.528 -3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.476 16.780 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.508 18.740 -2.419 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.166 18.621 -4.055 1.00 0.00 H new ATOM 898 N GLN A 62 4.055 15.270 4.357 1.00 0.00 N ATOM 899 CA GLN A 62 4.700 15.503 5.642 1.00 0.00 C ATOM 900 C GLN A 62 4.191 14.524 6.706 1.00 0.00 C ATOM 901 O GLN A 62 4.966 14.159 7.581 1.00 0.00 O ATOM 902 CB GLN A 62 4.513 16.968 6.067 1.00 0.00 C ATOM 903 CG GLN A 62 3.046 17.252 6.404 1.00 0.00 C ATOM 904 CD GLN A 62 2.651 18.729 6.346 1.00 0.00 C ATOM 905 OE1 GLN A 62 2.166 19.293 7.321 1.00 0.00 O ATOM 906 NE2 GLN A 62 2.772 19.384 5.203 1.00 0.00 N ATOM 0 H GLN A 62 3.511 16.065 4.021 1.00 0.00 H new ATOM 0 HA GLN A 62 5.769 15.319 5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.138 17.183 6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.841 17.629 5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.414 16.694 5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.837 16.873 7.404 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.175 18.919 4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.463 20.354 5.136 1.00 0.00 H new ATOM 915 N LYS A 63 2.932 14.057 6.651 1.00 0.00 N ATOM 916 CA LYS A 63 2.448 13.097 7.631 1.00 0.00 C ATOM 917 C LYS A 63 3.261 11.815 7.492 1.00 0.00 C ATOM 918 O LYS A 63 4.035 11.501 8.371 1.00 0.00 O ATOM 919 CB LYS A 63 0.937 12.864 7.509 1.00 0.00 C ATOM 920 CG LYS A 63 0.198 12.926 8.856 1.00 0.00 C ATOM 921 CD LYS A 63 -0.611 14.218 9.055 1.00 0.00 C ATOM 922 CE LYS A 63 -1.448 14.045 10.328 1.00 0.00 C ATOM 923 NZ LYS A 63 -2.408 15.142 10.577 1.00 0.00 N ATOM 0 H LYS A 63 2.247 14.330 5.946 1.00 0.00 H new ATOM 0 HA LYS A 63 2.590 13.493 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.515 13.611 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.763 11.890 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.474 12.071 8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.924 12.834 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.054 15.077 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.255 14.404 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.996 13.105 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.776 13.964 11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.934 14.951 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.892 16.040 10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.074 15.208 9.781 1.00 0.00 H new ATOM 937 N ILE A 64 3.209 11.106 6.368 1.00 0.00 N ATOM 938 CA ILE A 64 3.928 9.869 6.094 1.00 0.00 C ATOM 939 C ILE A 64 5.441 10.040 6.324 1.00 0.00 C ATOM 940 O ILE A 64 6.083 9.086 6.776 1.00 0.00 O ATOM 941 CB ILE A 64 3.523 9.390 4.679 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.104 8.772 4.648 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.473 8.338 4.116 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.019 9.787 4.356 1.00 0.00 C ATOM 0 H ILE A 64 2.630 11.397 5.580 1.00 0.00 H new ATOM 0 HA ILE A 64 3.652 9.080 6.793 1.00 0.00 H new ATOM 0 HB ILE A 64 3.560 10.294 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.072 7.988 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.900 8.297 5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.139 8.040 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.479 8.753 4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.482 7.467 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.049 9.290 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.026 10.558 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.201 10.244 3.383 1.00 0.00 H new ATOM 956 N ALA A 65 5.999 11.237 6.094 1.00 0.00 N ATOM 957 CA ALA A 65 7.395 11.574 6.369 1.00 0.00 C ATOM 958 C ALA A 65 7.749 11.271 7.836 1.00 0.00 C ATOM 959 O ALA A 65 8.845 10.796 8.158 1.00 0.00 O ATOM 960 CB ALA A 65 7.626 13.069 6.060 1.00 0.00 C ATOM 0 H ALA A 65 5.473 12.017 5.700 1.00 0.00 H new ATOM 0 HA ALA A 65 8.041 10.967 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.666 13.326 6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.403 13.262 5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.973 13.675 6.688 1.00 0.00 H new ATOM 966 N LEU A 66 6.819 11.605 8.726 1.00 0.00 N ATOM 967 CA LEU A 66 6.921 11.580 10.171 1.00 0.00 C ATOM 968 C LEU A 66 6.244 10.335 10.740 1.00 0.00 C ATOM 969 O LEU A 66 6.884 9.516 11.395 1.00 0.00 O ATOM 970 CB LEU A 66 6.276 12.869 10.701 1.00 0.00 C ATOM 971 CG LEU A 66 6.920 14.169 10.163 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.082 15.388 10.544 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.380 14.327 10.596 1.00 0.00 C ATOM 0 H LEU A 66 5.900 11.926 8.423 1.00 0.00 H new ATOM 0 HA LEU A 66 7.964 11.534 10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.218 12.866 10.440 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.336 12.871 11.789 1.00 0.00 H new ATOM 0 HG LEU A 66 6.934 14.094 9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.554 16.290 10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.083 15.290 10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.010 15.455 11.630 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.781 15.256 10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.436 14.352 11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.964 13.486 10.222 1.00 0.00 H new ATOM 985 N THR A 67 4.946 10.191 10.488 1.00 0.00 N ATOM 986 CA THR A 67 4.049 9.218 11.078 1.00 0.00 C ATOM 987 C THR A 67 4.440 7.802 10.665 1.00 0.00 C ATOM 988 O THR A 67 4.372 6.885 11.481 1.00 0.00 O ATOM 989 CB THR A 67 2.629 9.577 10.601 1.00 0.00 C ATOM 990 OG1 THR A 67 2.371 10.942 10.871 1.00 0.00 O ATOM 991 CG2 THR A 67 1.563 8.715 11.265 1.00 0.00 C ATOM 0 H THR A 67 4.467 10.795 9.820 1.00 0.00 H new ATOM 0 HA THR A 67 4.100 9.244 12.166 1.00 0.00 H new ATOM 0 HB THR A 67 2.584 9.387 9.529 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.404 11.098 10.872 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.579 9.005 10.897 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.744 7.666 11.029 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.602 8.856 12.345 1.00 0.00 H new ATOM 999 N HIS A 68 4.916 7.626 9.430 1.00 0.00 N ATOM 1000 CA HIS A 68 5.298 6.319 8.898 1.00 0.00 C ATOM 1001 C HIS A 68 6.797 6.264 8.660 1.00 0.00 C ATOM 1002 O HIS A 68 7.271 5.477 7.839 1.00 0.00 O ATOM 1003 CB HIS A 68 4.476 5.956 7.659 1.00 0.00 C ATOM 1004 CG HIS A 68 3.015 5.819 7.974 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.332 4.667 8.306 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.121 6.847 7.994 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.041 4.995 8.462 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.872 6.314 8.296 1.00 0.00 N ATOM 0 H HIS A 68 5.047 8.391 8.769 1.00 0.00 H new ATOM 0 HA HIS A 68 5.066 5.555 9.640 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.612 6.723 6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.846 5.020 7.240 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.342 7.888 7.809 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.250 4.296 8.689 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.005 6.829 8.376 1.00 0.00 H new ATOM 1016 N LYS A 69 7.567 7.039 9.431 1.00 0.00 N ATOM 1017 CA LYS A 69 9.023 6.976 9.406 1.00 0.00 C ATOM 1018 C LYS A 69 9.570 5.573 9.625 1.00 0.00 C ATOM 1019 O LYS A 69 10.682 5.284 9.206 1.00 0.00 O ATOM 1020 CB LYS A 69 9.596 7.935 10.435 1.00 0.00 C ATOM 1021 CG LYS A 69 9.361 7.484 11.889 1.00 0.00 C ATOM 1022 CD LYS A 69 9.814 8.561 12.877 1.00 0.00 C ATOM 1023 CE LYS A 69 11.321 8.824 12.800 1.00 0.00 C ATOM 1024 NZ LYS A 69 12.126 7.722 13.376 1.00 0.00 N ATOM 0 H LYS A 69 7.194 7.725 10.087 1.00 0.00 H new ATOM 0 HA LYS A 69 9.336 7.271 8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.667 8.042 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.150 8.919 10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.303 7.268 12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.905 6.559 12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.275 9.487 12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.552 8.255 13.890 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.607 8.971 11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.551 9.750 13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.137 7.953 13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.876 7.597 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.931 6.842 12.858 1.00 0.00 H new ATOM 1038 N ASN A 70 8.792 4.690 10.249 1.00 0.00 N ATOM 1039 CA ASN A 70 9.169 3.303 10.460 1.00 0.00 C ATOM 1040 C ASN A 70 9.367 2.584 9.117 1.00 0.00 C ATOM 1041 O ASN A 70 10.107 1.605 9.046 1.00 0.00 O ATOM 1042 CB ASN A 70 8.098 2.596 11.307 1.00 0.00 C ATOM 1043 CG ASN A 70 7.617 3.448 12.475 1.00 0.00 C ATOM 1044 OD1 ASN A 70 6.523 4.003 12.417 1.00 0.00 O ATOM 1045 ND2 ASN A 70 8.448 3.672 13.474 1.00 0.00 N ATOM 0 H ASN A 70 7.873 4.925 10.624 1.00 0.00 H new ATOM 0 HA ASN A 70 10.117 3.272 10.997 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.248 2.342 10.673 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.502 1.658 11.688 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.187 4.318 14.219 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.352 3.200 13.501 1.00 0.00 H new ATOM 1052 N LYS A 71 8.715 3.046 8.041 1.00 0.00 N ATOM 1053 CA LYS A 71 8.885 2.559 6.676 1.00 0.00 C ATOM 1054 C LYS A 71 9.958 3.315 5.899 1.00 0.00 C ATOM 1055 O LYS A 71 10.203 2.998 4.739 1.00 0.00 O ATOM 1056 CB LYS A 71 7.558 2.688 5.915 1.00 0.00 C ATOM 1057 CG LYS A 71 6.296 2.184 6.619 1.00 0.00 C ATOM 1058 CD LYS A 71 6.304 0.671 6.826 1.00 0.00 C ATOM 1059 CE LYS A 71 4.878 0.132 6.989 1.00 0.00 C ATOM 1060 NZ LYS A 71 4.882 -1.148 7.719 1.00 0.00 N ATOM 0 H LYS A 71 8.029 3.798 8.106 1.00 0.00 H new ATOM 0 HA LYS A 71 9.201 1.519 6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.410 3.740 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.656 2.151 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.201 2.679 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.421 2.462 6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.785 0.187 5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.893 0.424 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.269 0.860 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.422 -0.005 6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.906 -1.494 7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.446 -1.846 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.297 -1.008 8.662 1.00 0.00 H new ATOM 1074 N ILE A 72 10.555 4.352 6.476 1.00 0.00 N ATOM 1075 CA ILE A 72 11.528 5.171 5.780 1.00 0.00 C ATOM 1076 C ILE A 72 12.909 4.659 6.138 1.00 0.00 C ATOM 1077 O ILE A 72 13.273 4.565 7.311 1.00 0.00 O ATOM 1078 CB ILE A 72 11.332 6.643 6.144 1.00 0.00 C ATOM 1079 CG1 ILE A 72 9.969 7.090 5.592 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.480 7.520 5.598 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.650 8.554 5.832 1.00 0.00 C ATOM 0 H ILE A 72 10.376 4.644 7.437 1.00 0.00 H new ATOM 0 HA ILE A 72 11.401 5.103 4.700 1.00 0.00 H new ATOM 0 HB ILE A 72 11.349 6.762 7.227 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.942 6.895 4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.188 6.480 6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.307 8.560 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.427 7.184 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.517 7.436 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.672 8.787 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.642 8.754 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.407 9.175 5.353 1.00 0.00 H new ATOM 1093 N ASN A 73 13.692 4.406 5.096 1.00 0.00 N ATOM 1094 CA ASN A 73 15.050 3.880 5.256 1.00 0.00 C ATOM 1095 C ASN A 73 15.994 4.890 5.910 1.00 0.00 C ATOM 1096 O ASN A 73 16.874 4.487 6.666 1.00 0.00 O ATOM 1097 CB ASN A 73 15.642 3.435 3.911 1.00 0.00 C ATOM 1098 CG ASN A 73 15.997 4.625 3.036 1.00 0.00 C ATOM 1099 OD1 ASN A 73 17.086 5.174 3.099 1.00 0.00 O ATOM 1100 ND2 ASN A 73 15.031 5.176 2.334 1.00 0.00 N ATOM 0 H ASN A 73 13.412 4.556 4.127 1.00 0.00 H new ATOM 0 HA ASN A 73 14.960 3.017 5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.533 2.833 4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.926 2.800 3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.194 6.057 1.846 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.119 4.722 2.277 1.00 0.00 H new ATOM 1107 N LYS A 74 15.797 6.180 5.606 1.00 0.00 N ATOM 1108 CA LYS A 74 16.560 7.394 5.930 1.00 0.00 C ATOM 1109 C LYS A 74 16.351 8.430 4.835 1.00 0.00 C ATOM 1110 O LYS A 74 16.158 9.605 5.147 1.00 0.00 O ATOM 1111 CB LYS A 74 18.081 7.177 6.118 1.00 0.00 C ATOM 1112 CG LYS A 74 18.542 7.546 7.531 1.00 0.00 C ATOM 1113 CD LYS A 74 17.945 6.704 8.671 1.00 0.00 C ATOM 1114 CE LYS A 74 18.813 5.477 8.976 1.00 0.00 C ATOM 1115 NZ LYS A 74 18.600 4.944 10.337 1.00 0.00 N ATOM 0 H LYS A 74 14.981 6.430 5.047 1.00 0.00 H new ATOM 0 HA LYS A 74 16.176 7.730 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.326 6.134 5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.626 7.778 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.628 7.461 7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.297 8.593 7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 74 17.852 7.317 9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.940 6.382 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.597 4.695 8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.863 5.743 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.213 4.117 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.832 5.677 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.605 4.662 10.448 1.00 0.00 H new ATOM 1129 N ALA A 75 16.314 7.991 3.578 1.00 0.00 N ATOM 1130 CA ALA A 75 16.328 8.854 2.402 1.00 0.00 C ATOM 1131 C ALA A 75 15.048 9.671 2.237 1.00 0.00 C ATOM 1132 O ALA A 75 14.948 10.456 1.295 1.00 0.00 O ATOM 1133 CB ALA A 75 16.548 8.012 1.135 1.00 0.00 C ATOM 0 H ALA A 75 16.272 6.999 3.345 1.00 0.00 H new ATOM 0 HA ALA A 75 17.148 9.557 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.557 8.664 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.501 7.489 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.742 7.285 1.037 1.00 0.00 H new ATOM 1139 N GLY A 76 14.037 9.435 3.076 1.00 0.00 N ATOM 1140 CA GLY A 76 12.686 9.869 2.784 1.00 0.00 C ATOM 1141 C GLY A 76 12.060 9.038 1.662 1.00 0.00 C ATOM 1142 O GLY A 76 10.987 9.378 1.160 1.00 0.00 O ATOM 0 H GLY A 76 14.138 8.943 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.075 9.788 3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.694 10.921 2.498 1.00 0.00 H new ATOM 1146 N GLU A 77 12.717 7.950 1.250 1.00 0.00 N ATOM 1147 CA GLU A 77 12.103 6.916 0.446 1.00 0.00 C ATOM 1148 C GLU A 77 11.388 5.980 1.415 1.00 0.00 C ATOM 1149 O GLU A 77 11.981 5.496 2.387 1.00 0.00 O ATOM 1150 CB GLU A 77 13.113 6.242 -0.497 1.00 0.00 C ATOM 1151 CG GLU A 77 13.580 7.289 -1.529 1.00 0.00 C ATOM 1152 CD GLU A 77 14.387 6.776 -2.717 1.00 0.00 C ATOM 1153 OE1 GLU A 77 14.543 5.549 -2.887 1.00 0.00 O ATOM 1154 OE2 GLU A 77 14.865 7.643 -3.496 1.00 0.00 O ATOM 0 H GLU A 77 13.696 7.771 1.472 1.00 0.00 H new ATOM 0 HA GLU A 77 11.367 7.321 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.963 5.859 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.654 5.391 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.699 7.802 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.181 8.034 -1.008 1.00 0.00 H new ATOM 1161 N LEU A 78 10.080 5.845 1.202 1.00 0.00 N ATOM 1162 CA LEU A 78 9.171 4.999 1.951 1.00 0.00 C ATOM 1163 C LEU A 78 9.190 3.652 1.265 1.00 0.00 C ATOM 1164 O LEU A 78 8.842 3.588 0.086 1.00 0.00 O ATOM 1165 CB LEU A 78 7.749 5.588 1.875 1.00 0.00 C ATOM 1166 CG LEU A 78 6.797 5.016 2.943 1.00 0.00 C ATOM 1167 CD1 LEU A 78 7.023 5.800 4.232 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.340 5.203 2.533 1.00 0.00 C ATOM 0 H LEU A 78 9.605 6.356 0.457 1.00 0.00 H new ATOM 0 HA LEU A 78 9.462 4.922 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.805 6.671 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.334 5.393 0.886 1.00 0.00 H new ATOM 0 HG LEU A 78 6.997 3.952 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.362 5.419 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.060 5.688 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.809 6.855 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.689 4.791 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.130 6.266 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.158 4.687 1.590 1.00 0.00 H new ATOM 1180 N VAL A 79 9.642 2.612 1.951 1.00 0.00 N ATOM 1181 CA VAL A 79 9.627 1.260 1.434 1.00 0.00 C ATOM 1182 C VAL A 79 8.939 0.318 2.411 1.00 0.00 C ATOM 1183 O VAL A 79 9.331 0.189 3.576 1.00 0.00 O ATOM 1184 CB VAL A 79 11.013 0.840 0.944 1.00 0.00 C ATOM 1185 CG1 VAL A 79 12.178 1.232 1.857 1.00 0.00 C ATOM 1186 CG2 VAL A 79 11.032 -0.650 0.579 1.00 0.00 C ATOM 0 H VAL A 79 10.032 2.689 2.890 1.00 0.00 H new ATOM 0 HA VAL A 79 9.012 1.207 0.536 1.00 0.00 H new ATOM 0 HB VAL A 79 11.190 1.425 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.115 0.888 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.205 2.316 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.044 0.771 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.028 -0.927 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.775 -1.243 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.307 -0.840 -0.212 1.00 0.00 H new ATOM 1196 N LEU A 80 7.915 -0.370 1.920 1.00 0.00 N ATOM 1197 CA LEU A 80 7.154 -1.382 2.634 1.00 0.00 C ATOM 1198 C LEU A 80 6.972 -2.572 1.680 1.00 0.00 C ATOM 1199 O LEU A 80 6.933 -2.381 0.461 1.00 0.00 O ATOM 1200 CB LEU A 80 5.844 -0.765 3.193 1.00 0.00 C ATOM 1201 CG LEU A 80 4.684 -0.508 2.215 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.582 0.215 2.994 1.00 0.00 C ATOM 1203 CD2 LEU A 80 5.035 0.416 1.050 1.00 0.00 C ATOM 0 H LEU A 80 7.579 -0.229 0.967 1.00 0.00 H new ATOM 0 HA LEU A 80 7.670 -1.757 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.476 -1.423 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.098 0.184 3.664 1.00 0.00 H new ATOM 0 HG LEU A 80 4.403 -1.479 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.740 0.415 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.251 -0.411 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.969 1.157 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.162 0.543 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.346 1.387 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.848 -0.022 0.471 1.00 0.00 H new ATOM 1215 N THR A 81 6.871 -3.791 2.211 1.00 0.00 N ATOM 1216 CA THR A 81 6.655 -5.002 1.411 1.00 0.00 C ATOM 1217 C THR A 81 5.296 -5.557 1.829 1.00 0.00 C ATOM 1218 O THR A 81 4.871 -5.314 2.964 1.00 0.00 O ATOM 1219 CB THR A 81 7.846 -5.995 1.516 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.799 -6.782 2.687 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.190 -5.273 1.569 1.00 0.00 C ATOM 0 H THR A 81 6.937 -3.969 3.213 1.00 0.00 H new ATOM 0 HA THR A 81 6.627 -4.788 0.342 1.00 0.00 H new ATOM 0 HB THR A 81 7.756 -6.615 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.553 -7.701 2.454 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.994 -6.005 1.642 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.320 -4.680 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.217 -4.617 2.439 1.00 0.00 H new ATOM 1229 N SER A 82 4.541 -6.156 0.916 1.00 0.00 N ATOM 1230 CA SER A 82 3.282 -6.802 1.224 1.00 0.00 C ATOM 1231 C SER A 82 3.145 -8.044 0.346 1.00 0.00 C ATOM 1232 O SER A 82 2.952 -7.937 -0.868 1.00 0.00 O ATOM 1233 CB SER A 82 2.157 -5.780 1.064 1.00 0.00 C ATOM 1234 OG SER A 82 1.245 -5.875 2.137 1.00 0.00 O ATOM 0 H SER A 82 4.794 -6.204 -0.071 1.00 0.00 H new ATOM 0 HA SER A 82 3.232 -7.151 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.575 -4.774 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.637 -5.948 0.121 1.00 0.00 H new ATOM 0 HG SER A 82 0.932 -6.800 2.219 1.00 0.00 H new ATOM 1240 N GLU A 83 3.284 -9.234 0.929 1.00 0.00 N ATOM 1241 CA GLU A 83 3.293 -10.459 0.153 1.00 0.00 C ATOM 1242 C GLU A 83 2.825 -11.633 0.993 1.00 0.00 C ATOM 1243 O GLU A 83 3.368 -11.882 2.070 1.00 0.00 O ATOM 1244 CB GLU A 83 4.683 -10.718 -0.463 1.00 0.00 C ATOM 1245 CG GLU A 83 5.911 -10.623 0.459 1.00 0.00 C ATOM 1246 CD GLU A 83 6.246 -9.213 0.926 1.00 0.00 C ATOM 1247 OE1 GLU A 83 6.214 -8.305 0.069 1.00 0.00 O ATOM 1248 OE2 GLU A 83 6.619 -9.046 2.111 1.00 0.00 O ATOM 0 H GLU A 83 3.391 -9.369 1.934 1.00 0.00 H new ATOM 0 HA GLU A 83 2.591 -10.343 -0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.672 -11.715 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.823 -10.010 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.741 -11.251 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.775 -11.033 -0.065 1.00 0.00 H new ATOM 1255 N SER A 84 1.820 -12.368 0.521 1.00 0.00 N ATOM 1256 CA SER A 84 1.459 -13.688 1.038 1.00 0.00 C ATOM 1257 C SER A 84 0.743 -14.564 0.003 1.00 0.00 C ATOM 1258 O SER A 84 0.363 -15.676 0.362 1.00 0.00 O ATOM 1259 CB SER A 84 0.587 -13.571 2.298 1.00 0.00 C ATOM 1260 OG SER A 84 1.272 -12.894 3.331 1.00 0.00 O ATOM 0 H SER A 84 1.222 -12.058 -0.245 1.00 0.00 H new ATOM 0 HA SER A 84 2.402 -14.175 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.333 -13.039 2.058 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.300 -14.566 2.639 1.00 0.00 H new ATOM 0 HG SER A 84 2.220 -12.811 3.095 1.00 0.00 H new ATOM 1266 N SER A 85 0.550 -14.134 -1.253 1.00 0.00 N ATOM 1267 CA SER A 85 -0.110 -14.962 -2.250 1.00 0.00 C ATOM 1268 C SER A 85 0.919 -15.820 -3.013 1.00 0.00 C ATOM 1269 O SER A 85 1.398 -16.826 -2.486 1.00 0.00 O ATOM 1270 CB SER A 85 -0.973 -14.076 -3.154 1.00 0.00 C ATOM 1271 OG SER A 85 -2.061 -13.470 -2.485 1.00 0.00 O ATOM 0 H SER A 85 0.844 -13.218 -1.593 1.00 0.00 H new ATOM 0 HA SER A 85 -0.781 -15.673 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.347 -13.297 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.355 -14.677 -3.979 1.00 0.00 H new ATOM 0 HG SER A 85 -2.850 -13.482 -3.066 1.00 0.00 H new ATOM 1277 N ARG A 86 1.249 -15.447 -4.259 1.00 0.00 N ATOM 1278 CA ARG A 86 1.740 -16.312 -5.350 1.00 0.00 C ATOM 1279 C ARG A 86 1.563 -15.650 -6.723 1.00 0.00 C ATOM 1280 O ARG A 86 2.153 -16.087 -7.709 1.00 0.00 O ATOM 1281 CB ARG A 86 1.021 -17.677 -5.379 1.00 0.00 C ATOM 1282 CG ARG A 86 -0.517 -17.563 -5.395 1.00 0.00 C ATOM 1283 CD ARG A 86 -1.152 -18.484 -6.430 1.00 0.00 C ATOM 1284 NE ARG A 86 -0.891 -18.049 -7.814 1.00 0.00 N ATOM 1285 CZ ARG A 86 -1.723 -18.190 -8.855 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -2.932 -18.723 -8.713 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -1.329 -17.764 -10.049 1.00 0.00 N ATOM 0 H ARG A 86 1.177 -14.473 -4.553 1.00 0.00 H new ATOM 0 HA ARG A 86 2.800 -16.466 -5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.345 -18.231 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.325 -18.257 -4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.908 -17.806 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.801 -16.532 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.770 -19.496 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.228 -18.524 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 86 0.006 -17.599 -7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.247 -19.036 -7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.545 -18.819 -9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.409 -17.339 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.947 -17.862 -10.855 1.00 0.00 H new ATOM 1301 N TYR A 87 0.680 -14.657 -6.825 1.00 0.00 N ATOM 1302 CA TYR A 87 0.553 -13.777 -7.977 1.00 0.00 C ATOM 1303 C TYR A 87 1.616 -12.692 -7.865 1.00 0.00 C ATOM 1304 O TYR A 87 1.903 -12.269 -6.743 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.801 -13.072 -7.903 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.999 -13.974 -7.682 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -2.583 -14.686 -8.747 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.540 -14.084 -6.389 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -3.729 -15.471 -8.519 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.672 -14.872 -6.154 1.00 0.00 C ATOM 1311 CZ TYR A 87 -4.284 -15.556 -7.222 1.00 0.00 C ATOM 1312 OH TYR A 87 -5.459 -16.196 -7.005 1.00 0.00 O ATOM 0 H TYR A 87 0.015 -14.440 -6.083 1.00 0.00 H new ATOM 0 HA TYR A 87 0.655 -14.351 -8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.766 -12.341 -7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.953 -12.517 -8.829 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.153 -14.630 -9.736 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.077 -13.555 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.185 -16.009 -9.337 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.076 -14.955 -5.156 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.683 -16.154 -6.052 1.00 0.00 H new ATOM 1322 N GLN A 88 2.100 -12.150 -8.987 1.00 0.00 N ATOM 1323 CA GLN A 88 2.985 -10.992 -8.913 1.00 0.00 C ATOM 1324 C GLN A 88 2.234 -9.748 -8.412 1.00 0.00 C ATOM 1325 O GLN A 88 2.602 -9.155 -7.397 1.00 0.00 O ATOM 1326 CB GLN A 88 3.765 -10.770 -10.220 1.00 0.00 C ATOM 1327 CG GLN A 88 2.975 -10.544 -11.520 1.00 0.00 C ATOM 1328 CD GLN A 88 3.494 -9.304 -12.244 1.00 0.00 C ATOM 1329 OE1 GLN A 88 4.421 -9.381 -13.045 1.00 0.00 O ATOM 1330 NE2 GLN A 88 2.931 -8.143 -11.950 1.00 0.00 N ATOM 0 H GLN A 88 1.900 -12.485 -9.929 1.00 0.00 H new ATOM 0 HA GLN A 88 3.750 -11.200 -8.165 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.416 -9.908 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.410 -11.635 -10.371 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.067 -11.417 -12.167 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.915 -10.425 -11.294 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.162 -8.104 -11.281 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.266 -7.287 -12.392 1.00 0.00 H new ATOM 1339 N PHE A 89 1.161 -9.376 -9.116 1.00 0.00 N ATOM 1340 CA PHE A 89 0.410 -8.137 -8.931 1.00 0.00 C ATOM 1341 C PHE A 89 -0.504 -8.170 -7.696 1.00 0.00 C ATOM 1342 O PHE A 89 -0.765 -7.127 -7.118 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.374 -7.863 -10.223 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.600 -6.991 -10.076 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.478 -5.588 -10.063 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -2.866 -7.590 -9.934 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -2.625 -4.790 -9.926 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.007 -6.788 -9.791 1.00 0.00 C ATOM 1349 CZ PHE A 89 -3.889 -5.387 -9.795 1.00 0.00 C ATOM 0 H PHE A 89 0.778 -9.957 -9.862 1.00 0.00 H new ATOM 0 HA PHE A 89 1.107 -7.322 -8.737 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.298 -7.394 -10.941 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.680 -8.818 -10.650 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.506 -5.128 -10.158 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.958 -8.666 -9.935 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.535 -3.714 -9.921 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.978 -7.247 -9.678 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.770 -4.770 -9.697 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.012 -9.327 -7.255 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.968 -9.341 -6.133 1.00 0.00 C ATOM 1361 C ARG A 90 -1.291 -8.977 -4.812 1.00 0.00 C ATOM 1362 O ARG A 90 -1.878 -8.311 -3.965 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.629 -10.720 -6.034 1.00 0.00 C ATOM 1364 CG ARG A 90 -4.035 -10.687 -5.416 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.051 -10.782 -3.884 1.00 0.00 C ATOM 1366 NE ARG A 90 -5.165 -10.009 -3.321 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.428 -10.427 -3.159 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.811 -11.643 -3.538 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -7.323 -9.608 -2.623 1.00 0.00 N ATOM 0 H ARG A 90 -0.788 -10.244 -7.642 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.731 -8.587 -6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.690 -11.156 -7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.995 -11.375 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.530 -9.764 -5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.619 -11.511 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.138 -11.826 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.107 -10.412 -3.483 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.956 -9.056 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.138 -12.281 -3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.778 -11.938 -3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.048 -8.668 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.286 -9.918 -2.496 1.00 0.00 H new ATOM 1383 N ASN A 91 -0.053 -9.440 -4.649 1.00 0.00 N ATOM 1384 CA ASN A 91 0.835 -9.073 -3.555 1.00 0.00 C ATOM 1385 C ASN A 91 1.013 -7.551 -3.582 1.00 0.00 C ATOM 1386 O ASN A 91 0.579 -6.857 -2.670 1.00 0.00 O ATOM 1387 CB ASN A 91 2.174 -9.794 -3.767 1.00 0.00 C ATOM 1388 CG ASN A 91 2.256 -11.222 -3.245 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.504 -11.670 -2.382 1.00 0.00 O ATOM 1390 ND2 ASN A 91 3.203 -11.979 -3.766 1.00 0.00 N ATOM 0 H ASN A 91 0.371 -10.103 -5.298 1.00 0.00 H new ATOM 0 HA ASN A 91 0.431 -9.363 -2.585 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.392 -9.806 -4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.959 -9.208 -3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.315 -12.943 -3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.823 -11.600 -4.482 1.00 0.00 H new ATOM 1397 N LEU A 92 1.565 -7.051 -4.695 1.00 0.00 N ATOM 1398 CA LEU A 92 1.765 -5.641 -5.041 1.00 0.00 C ATOM 1399 C LEU A 92 0.517 -4.796 -4.747 1.00 0.00 C ATOM 1400 O LEU A 92 0.658 -3.701 -4.216 1.00 0.00 O ATOM 1401 CB LEU A 92 2.164 -5.620 -6.522 1.00 0.00 C ATOM 1402 CG LEU A 92 2.340 -4.231 -7.144 1.00 0.00 C ATOM 1403 CD1 LEU A 92 3.514 -3.528 -6.477 1.00 0.00 C ATOM 1404 CD2 LEU A 92 2.610 -4.428 -8.639 1.00 0.00 C ATOM 0 H LEU A 92 1.908 -7.669 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 92 2.547 -5.189 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.099 -6.169 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.406 -6.159 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 92 1.450 -3.618 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.643 -2.539 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.319 -3.428 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.421 -4.113 -6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.741 -3.457 -9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.515 -5.022 -8.770 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.767 -4.946 -9.096 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.694 -5.284 -5.040 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.944 -4.573 -4.787 1.00 0.00 C ATOM 1418 C ALA A 93 -2.101 -4.207 -3.307 1.00 0.00 C ATOM 1419 O ALA A 93 -2.572 -3.116 -3.002 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.143 -5.405 -5.267 1.00 0.00 C ATOM 0 H ALA A 93 -0.831 -6.200 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.912 -3.642 -5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.066 -4.860 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.052 -5.591 -6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.163 -6.356 -4.734 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.694 -5.088 -2.392 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.735 -4.852 -0.954 1.00 0.00 C ATOM 1428 C GLU A 94 -0.762 -3.741 -0.570 1.00 0.00 C ATOM 1429 O GLU A 94 -1.088 -2.896 0.255 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.356 -6.145 -0.237 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.866 -6.266 1.192 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.505 -7.666 1.685 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -2.236 -8.613 1.302 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -0.473 -7.858 2.370 1.00 0.00 O ATOM 0 H GLU A 94 -1.319 -6.004 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.739 -4.543 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.737 -6.987 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.269 -6.231 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.412 -5.506 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.944 -6.111 1.230 1.00 0.00 H new ATOM 1441 N CYS A 95 0.412 -3.698 -1.207 1.00 0.00 N ATOM 1442 CA CYS A 95 1.379 -2.626 -1.025 1.00 0.00 C ATOM 1443 C CYS A 95 0.686 -1.278 -1.265 1.00 0.00 C ATOM 1444 O CYS A 95 0.808 -0.355 -0.455 1.00 0.00 O ATOM 1445 CB CYS A 95 2.582 -2.849 -1.961 1.00 0.00 C ATOM 1446 SG CYS A 95 3.172 -4.555 -1.854 1.00 0.00 S ATOM 0 H CYS A 95 0.715 -4.414 -1.867 1.00 0.00 H new ATOM 0 HA CYS A 95 1.764 -2.622 -0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.296 -2.622 -2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.387 -2.164 -1.695 1.00 0.00 H new ATOM 0 HG CYS A 95 4.468 -4.560 -1.748 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.089 -1.195 -2.353 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.837 0.000 -2.739 1.00 0.00 C ATOM 1454 C LEU A 96 -1.965 0.261 -1.740 1.00 0.00 C ATOM 1455 O LEU A 96 -2.180 1.400 -1.338 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.408 -0.098 -4.168 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.530 -0.792 -5.228 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -1.159 -0.631 -6.616 1.00 0.00 C ATOM 1459 CD2 LEU A 96 0.959 -0.397 -5.256 1.00 0.00 C ATOM 0 H LEU A 96 -0.214 -1.974 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.136 0.835 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.359 -0.628 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.624 0.912 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.512 -1.838 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.532 -1.124 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.151 -1.083 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.242 0.429 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.468 -0.953 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.048 0.672 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.415 -0.630 -4.294 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.679 -0.781 -1.319 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.754 -0.698 -0.338 1.00 0.00 C ATOM 1473 C GLN A 97 -3.239 -0.075 0.967 1.00 0.00 C ATOM 1474 O GLN A 97 -3.959 0.728 1.564 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.272 -2.128 -0.077 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.631 -2.223 0.623 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.794 -1.928 -0.313 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.762 -1.148 0.117 1.00 0.00 O flip ATOM 1479 NE2 GLN A 97 -6.824 -2.367 -1.457 1.00 0.00 N flip ATOM 0 H GLN A 97 -2.520 -1.729 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.559 -0.067 -0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.338 -2.651 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.535 -2.657 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.751 -3.222 1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.655 -1.523 1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.074 -2.972 -1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.599 -2.127 -2.075 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.012 -0.397 1.414 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.499 0.225 2.636 1.00 0.00 C ATOM 1490 C LYS A 98 -1.227 1.671 2.321 1.00 0.00 C ATOM 1491 O LYS A 98 -1.724 2.509 3.046 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.236 -0.386 3.246 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.256 -1.925 3.330 1.00 0.00 C ATOM 1494 CD LYS A 98 1.095 -2.606 3.065 1.00 0.00 C ATOM 1495 CE LYS A 98 1.332 -3.588 4.206 1.00 0.00 C ATOM 1496 NZ LYS A 98 2.554 -4.395 4.088 1.00 0.00 N ATOM 0 H LYS A 98 -1.381 -1.060 0.963 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.268 0.065 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.626 -0.077 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.097 0.020 4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.604 -2.215 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.984 -2.304 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.084 -3.125 2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.896 -1.868 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.372 -3.031 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.476 -4.260 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.843 -4.727 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.371 -5.214 3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.314 -3.816 3.677 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.478 1.981 1.255 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.202 3.346 0.827 1.00 0.00 C ATOM 1512 C ILE A 99 -1.465 4.206 0.888 1.00 0.00 C ATOM 1513 O ILE A 99 -1.387 5.337 1.369 1.00 0.00 O ATOM 1514 CB ILE A 99 0.449 3.290 -0.572 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.907 2.831 -0.405 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.376 4.606 -1.360 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.486 2.270 -1.703 1.00 0.00 C ATOM 0 H ILE A 99 -0.043 1.275 0.661 1.00 0.00 H new ATOM 0 HA ILE A 99 0.500 3.832 1.504 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.123 2.580 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.515 3.672 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.960 2.070 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.857 4.477 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.667 4.885 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.887 5.392 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.517 1.959 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.895 1.412 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.459 3.039 -2.475 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.609 3.685 0.433 1.00 0.00 N ATOM 1530 CA ARG A 100 -3.887 4.372 0.455 1.00 0.00 C ATOM 1531 C ARG A 100 -4.312 4.624 1.883 1.00 0.00 C ATOM 1532 O ARG A 100 -4.639 5.761 2.197 1.00 0.00 O ATOM 1533 CB ARG A 100 -4.938 3.550 -0.301 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.651 3.632 -1.801 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.846 3.231 -2.643 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.431 1.940 -2.298 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.466 1.397 -2.940 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -8.006 1.969 -4.014 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -7.948 0.258 -2.496 1.00 0.00 N ATOM 0 H ARG A 100 -2.664 2.749 0.031 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.789 5.336 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.914 2.512 0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.937 3.929 -0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.356 4.650 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.807 2.986 -2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.614 3.999 -2.548 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.544 3.209 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.024 1.422 -1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.628 2.848 -4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.797 1.528 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.531 -0.189 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.739 -0.180 -2.968 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.268 3.614 2.739 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.570 3.730 4.161 1.00 0.00 C ATOM 1555 C ASP A 101 -3.718 4.817 4.801 1.00 0.00 C ATOM 1556 O ASP A 101 -4.233 5.734 5.427 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.271 2.408 4.880 1.00 0.00 C ATOM 1558 CG ASP A 101 -5.412 1.798 5.671 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -6.563 2.282 5.633 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -5.176 0.674 6.169 1.00 0.00 O ATOM 0 H ASP A 101 -4.015 2.667 2.458 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.627 3.980 4.256 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.944 1.681 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.433 2.570 5.558 1.00 0.00 H new ATOM 1565 N MET A 102 -2.403 4.727 4.591 1.00 0.00 N ATOM 1566 CA MET A 102 -1.387 5.584 5.180 1.00 0.00 C ATOM 1567 C MET A 102 -1.658 7.053 4.803 1.00 0.00 C ATOM 1568 O MET A 102 -1.355 7.965 5.574 1.00 0.00 O ATOM 1569 CB MET A 102 0.019 5.097 4.748 1.00 0.00 C ATOM 1570 CG MET A 102 0.285 3.582 4.984 1.00 0.00 C ATOM 1571 SD MET A 102 1.881 3.062 5.664 1.00 0.00 S ATOM 1572 CE MET A 102 2.920 3.622 4.314 1.00 0.00 C ATOM 0 H MET A 102 -2.005 4.018 3.975 1.00 0.00 H new ATOM 0 HA MET A 102 -1.425 5.526 6.268 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.154 5.315 3.689 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.770 5.672 5.290 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.493 3.212 5.652 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.153 3.073 4.029 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.901 3.154 4.392 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.462 3.347 3.364 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.029 4.705 4.364 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.254 7.286 3.627 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.636 8.591 3.090 1.00 0.00 C ATOM 1584 C ILE A 103 -4.023 8.983 3.611 1.00 0.00 C ATOM 1585 O ILE A 103 -4.232 10.142 3.951 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.533 8.530 1.542 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.035 8.507 1.161 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.235 9.658 0.759 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.780 8.033 -0.268 1.00 0.00 C ATOM 0 H ILE A 103 -2.494 6.525 2.992 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.963 9.379 3.428 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.068 7.626 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.621 9.508 1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.502 7.855 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.090 9.503 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.301 9.650 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.810 10.620 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.291 8.041 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.164 7.020 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.285 8.699 -0.968 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.972 8.052 3.691 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.319 8.282 4.191 1.00 0.00 C ATOM 1603 C ALA A 104 -6.270 8.724 5.653 1.00 0.00 C ATOM 1604 O ALA A 104 -6.972 9.662 6.041 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.136 6.991 4.046 1.00 0.00 C ATOM 0 H ALA A 104 -4.816 7.087 3.399 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.794 9.074 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.147 7.156 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.179 6.704 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.663 6.195 4.621 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.442 8.057 6.452 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.268 8.329 7.866 1.00 0.00 C ATOM 1613 C GLU A 105 -4.599 9.687 8.070 1.00 0.00 C ATOM 1614 O GLU A 105 -5.060 10.478 8.885 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.582 7.141 8.550 1.00 0.00 C ATOM 1616 CG GLU A 105 -3.070 7.047 8.440 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.554 5.790 9.152 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.555 5.754 10.405 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -2.170 4.804 8.482 1.00 0.00 O ATOM 0 H GLU A 105 -4.858 7.290 6.118 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.233 8.422 8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.841 7.166 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.007 6.225 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.777 7.023 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.612 7.934 8.879 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.589 9.999 7.253 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.912 11.285 7.255 1.00 0.00 C ATOM 1628 C ALA A 106 -3.837 12.424 6.828 1.00 0.00 C ATOM 1629 O ALA A 106 -3.655 13.560 7.266 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.757 11.220 6.259 1.00 0.00 C ATOM 0 H ALA A 106 -3.217 9.348 6.561 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.570 11.483 8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.235 12.177 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.064 10.433 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.146 11.004 5.264 1.00 0.00 H new ATOM 1636 N SER A 107 -4.766 12.142 5.915 1.00 0.00 N ATOM 1637 CA SER A 107 -5.657 13.135 5.326 1.00 0.00 C ATOM 1638 C SER A 107 -6.764 13.457 6.335 1.00 0.00 C ATOM 1639 O SER A 107 -7.112 14.621 6.515 1.00 0.00 O ATOM 1640 CB SER A 107 -6.183 12.580 3.989 1.00 0.00 C ATOM 1641 OG SER A 107 -6.930 13.512 3.227 1.00 0.00 O ATOM 0 H SER A 107 -4.921 11.199 5.559 1.00 0.00 H new ATOM 0 HA SER A 107 -5.146 14.072 5.107 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.337 12.236 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.807 11.709 4.190 1.00 0.00 H new ATOM 0 HG SER A 107 -6.587 13.534 2.309 1.00 0.00 H new