USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 675 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 51 GLN : amide:sc= -0.0172 K(o=-5.1,f=-4.3) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 160:sc= -0.0188 (180deg=0) USER MOD Set 1.3: A 107 ASN : amide:sc= -5.1! C(o=-5.1!,f=-3.6!) USER MOD Set 2.1: A 44 SER OG : rot -120:sc= 0.228 USER MOD Set 2.2: A 101 ASN : amide:sc= -1.74 K(o=-1.5,f=-14!) USER MOD Set 3.1: A 39 SER OG : rot 150:sc= 0.738 USER MOD Set 3.2: A 48 TYR OH : rot -150:sc= -1.05 USER MOD Set 4.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -39:sc= -0.571 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-3.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.788 USER MOD Single : A 36 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.064) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -121:sc= -2.45 (180deg=-3.44!) USER MOD Single : A 76 ASN : amide:sc= -6.45! C(o=-6.5!,f=-5!) USER MOD Single : A 78 LYS NZ :NH3+ -141:sc= -2.53! (180deg=-5.07!) USER MOD Single : A 79 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.4) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 81 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.013) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0486 USER MOD Single : A 85 HIS : no HE2:sc= -6.57! C(o=-6.6!,f=-5.5!) USER MOD Single : A 88 GLN : amide:sc= -0.717 K(o=-0.72,f=-0.12) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00947 USER MOD Single : A 91 THR OG1 : rot 68:sc= 0.729 USER MOD Single : A 93 TYR OH : rot 150:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.7!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 117:sc= 0.667 USER MOD Single : A 111 THR OG1 : rot -120:sc= -0.0845 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -166:sc= 0.32 USER MOD Single : A 116 ASN : amide:sc= -1.64! K(o=-1.6!,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.287 -15.740 -6.260 1.00 0.00 N ATOM 174 CA ALA A 15 -4.185 -14.319 -5.950 1.00 0.00 C ATOM 175 C ALA A 15 -3.493 -14.098 -4.610 1.00 0.00 C ATOM 176 O ALA A 15 -3.744 -14.801 -3.631 1.00 0.00 O ATOM 177 CB ALA A 15 -5.566 -13.680 -5.945 1.00 0.00 C ATOM 0 HA ALA A 15 -3.580 -13.846 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.475 -12.619 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.025 -13.798 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.188 -14.165 -5.193 1.00 0.00 H new ATOM 183 N PRO A 16 -2.599 -13.100 -4.562 1.00 0.00 N ATOM 184 CA PRO A 16 -1.851 -12.763 -3.347 1.00 0.00 C ATOM 185 C PRO A 16 -2.741 -12.150 -2.271 1.00 0.00 C ATOM 186 O PRO A 16 -3.396 -11.134 -2.499 1.00 0.00 O ATOM 187 CB PRO A 16 -0.821 -11.742 -3.835 1.00 0.00 C ATOM 188 CG PRO A 16 -1.437 -11.132 -5.047 1.00 0.00 C ATOM 189 CD PRO A 16 -2.249 -12.221 -5.691 1.00 0.00 C ATOM 0 HA PRO A 16 -1.409 -13.645 -2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.618 -10.990 -3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.129 -12.221 -4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.066 -10.283 -4.780 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.672 -10.760 -5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.138 -11.823 -6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.677 -12.752 -6.451 1.00 0.00 H new ATOM 197 N ASN A 17 -2.758 -12.773 -1.097 1.00 0.00 N ATOM 198 CA ASN A 17 -3.567 -12.288 0.015 1.00 0.00 C ATOM 199 C ASN A 17 -3.503 -10.766 0.110 1.00 0.00 C ATOM 200 O ASN A 17 -2.439 -10.157 -0.001 1.00 0.00 O ATOM 201 CB ASN A 17 -3.094 -12.913 1.328 1.00 0.00 C ATOM 202 CG ASN A 17 -1.639 -12.606 1.624 1.00 0.00 C ATOM 203 OD1 ASN A 17 -1.251 -11.444 1.748 1.00 0.00 O ATOM 204 ND2 ASN A 17 -0.825 -13.650 1.737 1.00 0.00 N ATOM 0 H ASN A 17 -2.220 -13.615 -0.891 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.601 -12.580 -0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.714 -12.545 2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.233 -13.993 1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.165 -13.506 1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.190 -14.596 1.627 1.00 0.00 H new ATOM 211 N PRO A 18 -4.669 -10.137 0.322 1.00 0.00 N ATOM 212 CA PRO A 18 -4.772 -8.680 0.439 1.00 0.00 C ATOM 213 C PRO A 18 -4.142 -8.155 1.725 1.00 0.00 C ATOM 214 O PRO A 18 -4.399 -8.657 2.820 1.00 0.00 O ATOM 215 CB PRO A 18 -6.282 -8.430 0.442 1.00 0.00 C ATOM 216 CG PRO A 18 -6.875 -9.698 0.952 1.00 0.00 C ATOM 217 CD PRO A 18 -5.976 -10.800 0.465 1.00 0.00 C ATOM 0 HA PRO A 18 -4.243 -8.168 -0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.542 -7.586 1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.647 -8.197 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.931 -9.692 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.891 -9.831 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.932 -11.626 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.323 -11.212 -0.482 1.00 0.00 H new ATOM 225 N PRO A 19 -3.299 -7.121 1.593 1.00 0.00 N ATOM 226 CA PRO A 19 -2.616 -6.505 2.735 1.00 0.00 C ATOM 227 C PRO A 19 -3.575 -5.735 3.637 1.00 0.00 C ATOM 228 O PRO A 19 -4.730 -5.505 3.279 1.00 0.00 O ATOM 229 CB PRO A 19 -1.616 -5.550 2.079 1.00 0.00 C ATOM 230 CG PRO A 19 -2.212 -5.233 0.751 1.00 0.00 C ATOM 231 CD PRO A 19 -2.947 -6.472 0.319 1.00 0.00 C ATOM 0 HA PRO A 19 -2.153 -7.250 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.478 -4.649 2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.636 -6.015 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.890 -4.382 0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.439 -4.967 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.834 -6.230 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.322 -7.115 -0.300 1.00 0.00 H new ATOM 239 N SER A 20 -3.088 -5.339 4.809 1.00 0.00 N ATOM 240 CA SER A 20 -3.904 -4.597 5.764 1.00 0.00 C ATOM 241 C SER A 20 -3.259 -3.255 6.101 1.00 0.00 C ATOM 242 O SER A 20 -2.332 -3.185 6.908 1.00 0.00 O ATOM 243 CB SER A 20 -4.103 -5.415 7.041 1.00 0.00 C ATOM 244 OG SER A 20 -5.265 -6.221 6.954 1.00 0.00 O ATOM 0 H SER A 20 -2.133 -5.519 5.120 1.00 0.00 H new ATOM 0 HA SER A 20 -4.875 -4.410 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.231 -6.046 7.212 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.185 -4.745 7.897 1.00 0.00 H new ATOM 0 HG SER A 20 -5.369 -6.735 7.782 1.00 0.00 H new ATOM 250 N ILE A 21 -3.758 -2.193 5.476 1.00 0.00 N ATOM 251 CA ILE A 21 -3.233 -0.854 5.711 1.00 0.00 C ATOM 252 C ILE A 21 -3.532 -0.387 7.131 1.00 0.00 C ATOM 253 O ILE A 21 -4.651 0.027 7.436 1.00 0.00 O ATOM 254 CB ILE A 21 -3.819 0.163 4.713 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.379 -0.177 3.288 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.390 1.575 5.083 1.00 0.00 C ATOM 257 CD1 ILE A 21 -3.975 0.735 2.238 1.00 0.00 C ATOM 0 H ILE A 21 -4.524 -2.234 4.804 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.154 -0.909 5.570 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.907 0.111 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.292 -0.123 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.660 -1.206 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.812 2.282 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.748 1.813 6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.302 1.642 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.620 0.436 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.062 0.664 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.673 1.764 2.436 1.00 0.00 H new ATOM 269 N ARG A 22 -2.524 -0.454 7.995 1.00 0.00 N ATOM 270 CA ARG A 22 -2.680 -0.037 9.383 1.00 0.00 C ATOM 271 C ARG A 22 -2.803 1.481 9.485 1.00 0.00 C ATOM 272 O ARG A 22 -1.946 2.216 8.995 1.00 0.00 O ATOM 273 CB ARG A 22 -1.493 -0.520 10.219 1.00 0.00 C ATOM 274 CG ARG A 22 -1.301 -2.027 10.190 1.00 0.00 C ATOM 275 CD ARG A 22 -2.332 -2.736 11.055 1.00 0.00 C ATOM 276 NE ARG A 22 -1.953 -2.742 12.465 1.00 0.00 N ATOM 277 CZ ARG A 22 -1.158 -3.657 13.008 1.00 0.00 C ATOM 278 NH1 ARG A 22 -0.660 -4.634 12.263 1.00 0.00 N ATOM 279 NH2 ARG A 22 -0.859 -3.595 14.299 1.00 0.00 N ATOM 0 H ARG A 22 -1.592 -0.793 7.758 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.595 -0.485 9.770 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.584 -0.039 9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.632 -0.200 11.252 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.377 -2.385 9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.299 -2.274 10.540 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.299 -2.246 10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.452 -3.762 10.708 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.319 -2.003 13.066 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.887 -4.684 11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.050 -5.335 12.683 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.240 -2.844 14.875 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.248 -4.298 14.715 1.00 0.00 H new ATOM 293 N GLU A 23 -3.874 1.941 10.122 1.00 0.00 N ATOM 294 CA GLU A 23 -4.109 3.371 10.286 1.00 0.00 C ATOM 295 C GLU A 23 -3.435 3.892 11.552 1.00 0.00 C ATOM 296 O GLU A 23 -3.097 5.072 11.647 1.00 0.00 O ATOM 297 CB GLU A 23 -5.611 3.661 10.339 1.00 0.00 C ATOM 298 CG GLU A 23 -6.349 3.281 9.066 1.00 0.00 C ATOM 299 CD GLU A 23 -7.843 3.132 9.281 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.408 3.915 10.073 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.446 2.234 8.657 1.00 0.00 O ATOM 0 H GLU A 23 -4.593 1.345 10.533 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.677 3.885 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.048 3.119 11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.761 4.723 10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.169 4.041 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.946 2.344 8.682 1.00 0.00 H new ATOM 308 N GLU A 24 -3.242 3.003 12.522 1.00 0.00 N ATOM 309 CA GLU A 24 -2.610 3.373 13.782 1.00 0.00 C ATOM 310 C GLU A 24 -1.093 3.449 13.628 1.00 0.00 C ATOM 311 O GLU A 24 -0.408 4.087 14.428 1.00 0.00 O ATOM 312 CB GLU A 24 -2.973 2.367 14.876 1.00 0.00 C ATOM 313 CG GLU A 24 -2.437 0.969 14.619 1.00 0.00 C ATOM 314 CD GLU A 24 -2.184 0.197 15.899 1.00 0.00 C ATOM 315 OE1 GLU A 24 -2.925 0.414 16.880 1.00 0.00 O ATOM 316 OE2 GLU A 24 -1.245 -0.626 15.920 1.00 0.00 O ATOM 0 H GLU A 24 -3.514 2.022 12.459 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.979 4.358 14.068 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.587 2.725 15.830 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.058 2.320 14.969 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.148 0.419 14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.509 1.038 14.051 1.00 0.00 H new ATOM 323 N LEU A 25 -0.576 2.792 12.596 1.00 0.00 N ATOM 324 CA LEU A 25 0.859 2.783 12.336 1.00 0.00 C ATOM 325 C LEU A 25 1.231 3.838 11.299 1.00 0.00 C ATOM 326 O LEU A 25 2.361 4.329 11.276 1.00 0.00 O ATOM 327 CB LEU A 25 1.302 1.400 11.855 1.00 0.00 C ATOM 328 CG LEU A 25 0.846 0.215 12.708 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.307 -1.096 12.090 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.369 0.350 14.131 1.00 0.00 C ATOM 0 H LEU A 25 -1.129 2.258 11.925 1.00 0.00 H new ATOM 0 HA LEU A 25 1.373 3.018 13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.933 1.255 10.840 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.391 1.387 11.803 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.243 0.213 12.742 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.974 -1.928 12.710 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.883 -1.196 11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.395 -1.105 12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.035 -0.502 14.724 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.459 0.377 14.117 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.988 1.271 14.573 1.00 0.00 H new ATOM 342 N CYS A 26 0.275 4.182 10.444 1.00 0.00 N ATOM 343 CA CYS A 26 0.502 5.180 9.404 1.00 0.00 C ATOM 344 C CYS A 26 0.521 6.586 9.995 1.00 0.00 C ATOM 345 O CYS A 26 -0.280 6.915 10.870 1.00 0.00 O ATOM 346 CB CYS A 26 -0.580 5.081 8.328 1.00 0.00 C ATOM 347 SG CYS A 26 -2.145 5.865 8.781 1.00 0.00 S ATOM 0 H CYS A 26 -0.665 3.785 10.450 1.00 0.00 H new ATOM 0 HA CYS A 26 1.474 4.982 8.951 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.209 5.539 7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.763 4.029 8.108 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.400 5.632 10.034 1.00 0.00 H new ATOM 353 N THR A 27 1.444 7.413 9.513 1.00 0.00 N ATOM 354 CA THR A 27 1.570 8.782 9.995 1.00 0.00 C ATOM 355 C THR A 27 1.244 9.785 8.894 1.00 0.00 C ATOM 356 O THR A 27 1.238 9.443 7.712 1.00 0.00 O ATOM 357 CB THR A 27 2.989 9.063 10.525 1.00 0.00 C ATOM 358 OG1 THR A 27 3.914 9.136 9.435 1.00 0.00 O ATOM 359 CG2 THR A 27 3.427 7.978 11.497 1.00 0.00 C ATOM 0 H THR A 27 2.115 7.158 8.789 1.00 0.00 H new ATOM 0 HA THR A 27 0.856 8.896 10.811 1.00 0.00 H new ATOM 0 HB THR A 27 2.974 10.017 11.052 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.813 9.317 9.781 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.432 8.197 11.858 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.737 7.945 12.340 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.426 7.013 10.990 1.00 0.00 H new ATOM 367 N ALA A 28 0.976 11.025 9.289 1.00 0.00 N ATOM 368 CA ALA A 28 0.652 12.078 8.335 1.00 0.00 C ATOM 369 C ALA A 28 1.502 13.320 8.579 1.00 0.00 C ATOM 370 O ALA A 28 1.676 13.751 9.719 1.00 0.00 O ATOM 371 CB ALA A 28 -0.828 12.425 8.414 1.00 0.00 C ATOM 0 H ALA A 28 0.977 11.325 10.264 1.00 0.00 H new ATOM 0 HA ALA A 28 0.874 11.708 7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.056 13.213 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.422 11.541 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.068 12.770 9.420 1.00 0.00 H new ATOM 377 N SER A 29 2.030 13.892 7.501 1.00 0.00 N ATOM 378 CA SER A 29 2.866 15.082 7.599 1.00 0.00 C ATOM 379 C SER A 29 2.384 16.165 6.639 1.00 0.00 C ATOM 380 O SER A 29 1.585 15.903 5.739 1.00 0.00 O ATOM 381 CB SER A 29 4.325 14.733 7.301 1.00 0.00 C ATOM 382 OG SER A 29 4.858 13.875 8.295 1.00 0.00 O ATOM 0 H SER A 29 1.893 13.550 6.550 1.00 0.00 H new ATOM 0 HA SER A 29 2.792 15.464 8.617 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.395 14.252 6.325 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.917 15.647 7.249 1.00 0.00 H new ATOM 0 HG SER A 29 5.791 13.666 8.080 1.00 0.00 H new ATOM 388 N HIS A 30 2.875 17.384 6.836 1.00 0.00 N ATOM 389 CA HIS A 30 2.496 18.508 5.988 1.00 0.00 C ATOM 390 C HIS A 30 2.487 18.101 4.518 1.00 0.00 C ATOM 391 O HIS A 30 1.448 18.146 3.858 1.00 0.00 O ATOM 392 CB HIS A 30 3.456 19.680 6.198 1.00 0.00 C ATOM 393 CG HIS A 30 4.899 19.279 6.202 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.489 18.604 7.249 1.00 0.00 N ATOM 395 CD2 HIS A 30 5.870 19.460 5.277 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.762 18.389 6.970 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.019 18.898 5.778 1.00 0.00 N ATOM 0 H HIS A 30 3.537 17.619 7.576 1.00 0.00 H new ATOM 0 HA HIS A 30 1.489 18.818 6.268 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.294 20.417 5.411 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.220 20.167 7.144 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.762 19.954 4.323 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.472 17.883 7.608 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.923 18.877 5.307 1.00 0.00 H new ATOM 406 N ASP A 31 3.649 17.704 4.012 1.00 0.00 N ATOM 407 CA ASP A 31 3.775 17.287 2.620 1.00 0.00 C ATOM 408 C ASP A 31 4.375 15.888 2.523 1.00 0.00 C ATOM 409 O ASP A 31 5.194 15.611 1.646 1.00 0.00 O ATOM 410 CB ASP A 31 4.640 18.282 1.844 1.00 0.00 C ATOM 411 CG ASP A 31 4.170 19.713 2.013 1.00 0.00 C ATOM 412 OD1 ASP A 31 2.943 19.944 1.972 1.00 0.00 O ATOM 413 OD2 ASP A 31 5.029 20.602 2.188 1.00 0.00 O ATOM 0 H ASP A 31 4.518 17.662 4.545 1.00 0.00 H new ATOM 0 HA ASP A 31 2.777 17.265 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.673 18.200 2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.628 18.021 0.786 1.00 0.00 H new ATOM 418 N THR A 32 3.963 15.009 3.431 1.00 0.00 N ATOM 419 CA THR A 32 4.461 13.639 3.450 1.00 0.00 C ATOM 420 C THR A 32 3.532 12.727 4.242 1.00 0.00 C ATOM 421 O THR A 32 2.822 13.178 5.141 1.00 0.00 O ATOM 422 CB THR A 32 5.875 13.564 4.056 1.00 0.00 C ATOM 423 OG1 THR A 32 6.603 14.759 3.752 1.00 0.00 O ATOM 424 CG2 THR A 32 6.630 12.356 3.523 1.00 0.00 C ATOM 0 H THR A 32 3.285 15.221 4.163 1.00 0.00 H new ATOM 0 HA THR A 32 4.499 13.302 2.414 1.00 0.00 H new ATOM 0 HB THR A 32 5.777 13.463 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.500 14.704 4.142 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.626 12.325 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.089 11.446 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.717 12.431 2.439 1.00 0.00 H new ATOM 432 N ILE A 33 3.542 11.442 3.903 1.00 0.00 N ATOM 433 CA ILE A 33 2.700 10.466 4.584 1.00 0.00 C ATOM 434 C ILE A 33 3.308 9.070 4.511 1.00 0.00 C ATOM 435 O ILE A 33 3.773 8.637 3.456 1.00 0.00 O ATOM 436 CB ILE A 33 1.282 10.429 3.984 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.554 11.746 4.258 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.498 9.256 4.552 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.842 11.797 3.678 1.00 0.00 C ATOM 0 H ILE A 33 4.124 11.053 3.161 1.00 0.00 H new ATOM 0 HA ILE A 33 2.636 10.778 5.627 1.00 0.00 H new ATOM 0 HB ILE A 33 1.363 10.299 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.497 11.903 5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.140 12.568 3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.502 9.243 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.010 8.325 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.423 9.359 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.298 12.759 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.791 11.672 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.444 10.997 4.108 1.00 0.00 H new ATOM 451 N THR A 34 3.300 8.367 5.639 1.00 0.00 N ATOM 452 CA THR A 34 3.850 7.019 5.704 1.00 0.00 C ATOM 453 C THR A 34 2.749 5.986 5.921 1.00 0.00 C ATOM 454 O THR A 34 2.171 5.899 7.004 1.00 0.00 O ATOM 455 CB THR A 34 4.890 6.889 6.833 1.00 0.00 C ATOM 456 OG1 THR A 34 5.783 8.008 6.807 1.00 0.00 O ATOM 457 CG2 THR A 34 5.682 5.598 6.693 1.00 0.00 C ATOM 0 H THR A 34 2.918 8.709 6.521 1.00 0.00 H new ATOM 0 HA THR A 34 4.338 6.831 4.748 1.00 0.00 H new ATOM 0 HB THR A 34 4.360 6.870 7.785 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.440 7.919 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.410 5.528 7.501 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.003 4.747 6.742 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.202 5.592 5.735 1.00 0.00 H new ATOM 465 N VAL A 35 2.465 5.204 4.885 1.00 0.00 N ATOM 466 CA VAL A 35 1.435 4.175 4.963 1.00 0.00 C ATOM 467 C VAL A 35 2.031 2.829 5.360 1.00 0.00 C ATOM 468 O VAL A 35 2.968 2.342 4.727 1.00 0.00 O ATOM 469 CB VAL A 35 0.694 4.020 3.622 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.369 2.936 3.721 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.078 5.344 3.198 1.00 0.00 C ATOM 0 H VAL A 35 2.934 5.263 3.981 1.00 0.00 H new ATOM 0 HA VAL A 35 0.726 4.495 5.727 1.00 0.00 H new ATOM 0 HB VAL A 35 1.415 3.720 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.882 2.841 2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.102 1.987 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.090 3.203 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.442 5.216 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.630 5.676 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.864 6.091 3.084 1.00 0.00 H new ATOM 481 N HIS A 36 1.482 2.233 6.413 1.00 0.00 N ATOM 482 CA HIS A 36 1.959 0.941 6.895 1.00 0.00 C ATOM 483 C HIS A 36 0.955 -0.163 6.575 1.00 0.00 C ATOM 484 O HIS A 36 -0.227 -0.053 6.902 1.00 0.00 O ATOM 485 CB HIS A 36 2.210 0.997 8.403 1.00 0.00 C ATOM 486 CG HIS A 36 3.453 1.745 8.775 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.452 1.203 9.556 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.856 3.000 8.469 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.415 2.093 9.715 1.00 0.00 C ATOM 490 NE2 HIS A 36 5.078 3.193 9.064 1.00 0.00 N ATOM 0 H HIS A 36 0.707 2.623 6.949 1.00 0.00 H new ATOM 0 HA HIS A 36 2.896 0.714 6.386 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.354 1.466 8.888 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.278 -0.020 8.790 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.316 3.717 7.868 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.323 1.947 10.281 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.635 4.046 9.012 1.00 0.00 H new ATOM 499 N TRP A 37 1.434 -1.223 5.935 1.00 0.00 N ATOM 500 CA TRP A 37 0.578 -2.346 5.570 1.00 0.00 C ATOM 501 C TRP A 37 1.105 -3.648 6.164 1.00 0.00 C ATOM 502 O TRP A 37 2.312 -3.817 6.338 1.00 0.00 O ATOM 503 CB TRP A 37 0.482 -2.467 4.049 1.00 0.00 C ATOM 504 CG TRP A 37 1.817 -2.489 3.369 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.653 -3.561 3.238 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.471 -1.388 2.729 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.787 -3.193 2.555 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.699 -1.865 2.231 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.138 -0.046 2.526 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.593 -1.046 1.546 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.026 0.765 1.846 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.241 0.263 1.362 1.00 0.00 C ATOM 0 H TRP A 37 2.410 -1.329 5.658 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.416 -2.160 5.976 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.061 -3.378 3.798 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.101 -1.632 3.661 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.452 -4.553 3.616 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.567 -3.809 2.326 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.203 0.350 2.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.531 -1.431 1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.779 1.804 1.685 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.913 0.923 0.833 1.00 0.00 H new ATOM 523 N ILE A 38 0.193 -4.564 6.473 1.00 0.00 N ATOM 524 CA ILE A 38 0.568 -5.850 7.046 1.00 0.00 C ATOM 525 C ILE A 38 -0.054 -7.003 6.265 1.00 0.00 C ATOM 526 O ILE A 38 -1.151 -6.876 5.721 1.00 0.00 O ATOM 527 CB ILE A 38 0.140 -5.956 8.522 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.528 -7.321 9.092 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.358 -5.725 8.657 1.00 0.00 C ATOM 530 CD1 ILE A 38 0.884 -7.284 10.562 1.00 0.00 C ATOM 0 H ILE A 38 -0.810 -4.439 6.336 1.00 0.00 H new ATOM 0 HA ILE A 38 1.654 -5.917 6.985 1.00 0.00 H new ATOM 0 HB ILE A 38 0.659 -5.185 9.092 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.299 -8.016 8.944 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.377 -7.712 8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.645 -5.803 9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.608 -4.731 8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.896 -6.475 8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.149 -8.287 10.898 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.731 -6.615 10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.029 -6.923 11.134 1.00 0.00 H new ATOM 542 N SER A 39 0.653 -8.127 6.215 1.00 0.00 N ATOM 543 CA SER A 39 0.171 -9.302 5.499 1.00 0.00 C ATOM 544 C SER A 39 0.463 -10.576 6.286 1.00 0.00 C ATOM 545 O SER A 39 1.392 -10.621 7.093 1.00 0.00 O ATOM 546 CB SER A 39 0.820 -9.384 4.116 1.00 0.00 C ATOM 547 OG SER A 39 0.051 -8.687 3.150 1.00 0.00 O ATOM 0 H SER A 39 1.562 -8.249 6.662 1.00 0.00 H new ATOM 0 HA SER A 39 -0.909 -9.208 5.382 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.825 -8.964 4.157 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.922 -10.428 3.820 1.00 0.00 H new ATOM 0 HG SER A 39 0.643 -8.337 2.451 1.00 0.00 H new ATOM 553 N ASP A 40 -0.337 -11.609 6.046 1.00 0.00 N ATOM 554 CA ASP A 40 -0.165 -12.885 6.731 1.00 0.00 C ATOM 555 C ASP A 40 0.909 -13.726 6.050 1.00 0.00 C ATOM 556 O ASP A 40 1.673 -14.430 6.712 1.00 0.00 O ATOM 557 CB ASP A 40 -1.488 -13.652 6.763 1.00 0.00 C ATOM 558 CG ASP A 40 -2.667 -12.761 7.099 1.00 0.00 C ATOM 559 OD1 ASP A 40 -3.261 -12.184 6.164 1.00 0.00 O ATOM 560 OD2 ASP A 40 -2.997 -12.641 8.297 1.00 0.00 O ATOM 0 H ASP A 40 -1.111 -11.588 5.382 1.00 0.00 H new ATOM 0 HA ASP A 40 0.153 -12.682 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.656 -14.121 5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.422 -14.454 7.498 1.00 0.00 H new ATOM 565 N ASP A 41 0.962 -13.650 4.725 1.00 0.00 N ATOM 566 CA ASP A 41 1.943 -14.405 3.954 1.00 0.00 C ATOM 567 C ASP A 41 2.587 -13.526 2.885 1.00 0.00 C ATOM 568 O ASP A 41 2.009 -13.302 1.822 1.00 0.00 O ATOM 569 CB ASP A 41 1.285 -15.622 3.302 1.00 0.00 C ATOM 570 CG ASP A 41 1.100 -16.770 4.275 1.00 0.00 C ATOM 571 OD1 ASP A 41 0.106 -16.754 5.031 1.00 0.00 O ATOM 572 OD2 ASP A 41 1.949 -17.685 4.280 1.00 0.00 O ATOM 0 H ASP A 41 0.337 -13.073 4.162 1.00 0.00 H new ATOM 0 HA ASP A 41 2.721 -14.745 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.315 -15.333 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.895 -15.955 2.463 1.00 0.00 H new ATOM 577 N GLU A 42 3.786 -13.031 3.177 1.00 0.00 N ATOM 578 CA GLU A 42 4.507 -12.176 2.241 1.00 0.00 C ATOM 579 C GLU A 42 5.498 -12.989 1.414 1.00 0.00 C ATOM 580 O GLU A 42 5.859 -12.603 0.302 1.00 0.00 O ATOM 581 CB GLU A 42 5.243 -11.066 2.994 1.00 0.00 C ATOM 582 CG GLU A 42 6.393 -11.570 3.850 1.00 0.00 C ATOM 583 CD GLU A 42 7.036 -10.468 4.670 1.00 0.00 C ATOM 584 OE1 GLU A 42 6.297 -9.725 5.348 1.00 0.00 O ATOM 585 OE2 GLU A 42 8.279 -10.349 4.633 1.00 0.00 O ATOM 0 H GLU A 42 4.278 -13.207 4.053 1.00 0.00 H new ATOM 0 HA GLU A 42 3.780 -11.726 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.627 -10.343 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.533 -10.537 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.029 -12.350 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.146 -12.027 3.208 1.00 0.00 H new ATOM 592 N PHE A 43 5.936 -14.116 1.966 1.00 0.00 N ATOM 593 CA PHE A 43 6.888 -14.983 1.281 1.00 0.00 C ATOM 594 C PHE A 43 6.483 -15.190 -0.176 1.00 0.00 C ATOM 595 O PHE A 43 7.332 -15.238 -1.066 1.00 0.00 O ATOM 596 CB PHE A 43 6.983 -16.334 1.993 1.00 0.00 C ATOM 597 CG PHE A 43 7.461 -16.231 3.413 1.00 0.00 C ATOM 598 CD1 PHE A 43 6.569 -15.969 4.441 1.00 0.00 C ATOM 599 CD2 PHE A 43 8.802 -16.395 3.721 1.00 0.00 C ATOM 600 CE1 PHE A 43 7.005 -15.873 5.749 1.00 0.00 C ATOM 601 CE2 PHE A 43 9.243 -16.301 5.027 1.00 0.00 C ATOM 602 CZ PHE A 43 8.344 -16.039 6.042 1.00 0.00 C ATOM 0 H PHE A 43 5.647 -14.450 2.885 1.00 0.00 H new ATOM 0 HA PHE A 43 7.864 -14.499 1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.003 -16.811 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.660 -16.982 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.521 -15.838 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.510 -16.599 2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.299 -15.668 6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.291 -16.432 5.254 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.688 -15.964 7.063 1.00 0.00 H new ATOM 612 N SER A 44 5.181 -15.313 -0.410 1.00 0.00 N ATOM 613 CA SER A 44 4.663 -15.520 -1.758 1.00 0.00 C ATOM 614 C SER A 44 4.802 -14.252 -2.594 1.00 0.00 C ATOM 615 O SER A 44 5.154 -14.308 -3.773 1.00 0.00 O ATOM 616 CB SER A 44 3.196 -15.950 -1.702 1.00 0.00 C ATOM 617 OG SER A 44 2.506 -15.562 -2.878 1.00 0.00 O ATOM 0 H SER A 44 4.465 -15.273 0.316 1.00 0.00 H new ATOM 0 HA SER A 44 5.248 -16.310 -2.229 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.135 -17.032 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.716 -15.504 -0.831 1.00 0.00 H new ATOM 0 HG SER A 44 1.767 -14.964 -2.641 1.00 0.00 H new ATOM 623 N ILE A 45 4.523 -13.110 -1.975 1.00 0.00 N ATOM 624 CA ILE A 45 4.618 -11.827 -2.661 1.00 0.00 C ATOM 625 C ILE A 45 6.059 -11.518 -3.053 1.00 0.00 C ATOM 626 O ILE A 45 6.928 -11.366 -2.194 1.00 0.00 O ATOM 627 CB ILE A 45 4.079 -10.680 -1.786 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.692 -11.031 -1.244 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.030 -9.384 -2.583 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.128 -9.987 -0.306 1.00 0.00 C ATOM 0 H ILE A 45 4.229 -13.047 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 45 4.008 -11.905 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 45 4.753 -10.539 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.007 -11.164 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.746 -11.986 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.647 -8.583 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.033 -9.129 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.375 -9.511 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.143 -10.302 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.792 -9.870 0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.041 -9.035 -0.830 1.00 0.00 H new ATOM 642 N SER A 46 6.305 -11.426 -4.356 1.00 0.00 N ATOM 643 CA SER A 46 7.642 -11.137 -4.863 1.00 0.00 C ATOM 644 C SER A 46 7.953 -9.648 -4.755 1.00 0.00 C ATOM 645 O SER A 46 9.116 -9.249 -4.688 1.00 0.00 O ATOM 646 CB SER A 46 7.768 -11.593 -6.318 1.00 0.00 C ATOM 647 OG SER A 46 9.105 -11.940 -6.630 1.00 0.00 O ATOM 0 H SER A 46 5.597 -11.547 -5.080 1.00 0.00 H new ATOM 0 HA SER A 46 8.361 -11.685 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.117 -12.450 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.431 -10.797 -6.982 1.00 0.00 H new ATOM 0 HG SER A 46 9.158 -12.229 -7.565 1.00 0.00 H new ATOM 653 N SER A 47 6.906 -8.830 -4.740 1.00 0.00 N ATOM 654 CA SER A 47 7.066 -7.384 -4.645 1.00 0.00 C ATOM 655 C SER A 47 5.736 -6.710 -4.321 1.00 0.00 C ATOM 656 O SER A 47 4.668 -7.248 -4.611 1.00 0.00 O ATOM 657 CB SER A 47 7.629 -6.825 -5.953 1.00 0.00 C ATOM 658 OG SER A 47 6.877 -7.276 -7.066 1.00 0.00 O ATOM 0 H SER A 47 5.937 -9.144 -4.792 1.00 0.00 H new ATOM 0 HA SER A 47 7.766 -7.173 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.619 -5.736 -5.921 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.669 -7.131 -6.065 1.00 0.00 H new ATOM 0 HG SER A 47 7.256 -6.903 -7.889 1.00 0.00 H new ATOM 664 N TYR A 48 5.810 -5.529 -3.718 1.00 0.00 N ATOM 665 CA TYR A 48 4.613 -4.781 -3.352 1.00 0.00 C ATOM 666 C TYR A 48 4.436 -3.561 -4.251 1.00 0.00 C ATOM 667 O TYR A 48 5.407 -3.024 -4.784 1.00 0.00 O ATOM 668 CB TYR A 48 4.688 -4.342 -1.888 1.00 0.00 C ATOM 669 CG TYR A 48 4.080 -5.338 -0.926 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.702 -5.437 -0.777 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.884 -6.178 -0.165 1.00 0.00 C ATOM 672 CE1 TYR A 48 2.142 -6.344 0.101 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.332 -7.090 0.714 1.00 0.00 C ATOM 674 CZ TYR A 48 2.961 -7.169 0.844 1.00 0.00 C ATOM 675 OH TYR A 48 2.408 -8.074 1.721 1.00 0.00 O ATOM 0 H TYR A 48 6.686 -5.069 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 48 3.752 -5.436 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.732 -4.180 -1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.178 -3.385 -1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.058 -4.794 -1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.958 -6.117 -0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.069 -6.407 0.205 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.971 -7.738 1.296 1.00 0.00 H new ATOM 0 HH TYR A 48 3.023 -8.221 2.470 1.00 0.00 H new ATOM 685 N GLU A 49 3.189 -3.130 -4.414 1.00 0.00 N ATOM 686 CA GLU A 49 2.884 -1.974 -5.249 1.00 0.00 C ATOM 687 C GLU A 49 2.049 -0.954 -4.481 1.00 0.00 C ATOM 688 O GLU A 49 1.040 -1.298 -3.864 1.00 0.00 O ATOM 689 CB GLU A 49 2.140 -2.412 -6.512 1.00 0.00 C ATOM 690 CG GLU A 49 2.408 -1.522 -7.714 1.00 0.00 C ATOM 691 CD GLU A 49 1.703 -2.007 -8.967 1.00 0.00 C ATOM 692 OE1 GLU A 49 0.477 -1.798 -9.076 1.00 0.00 O ATOM 693 OE2 GLU A 49 2.378 -2.596 -9.837 1.00 0.00 O ATOM 0 H GLU A 49 2.374 -3.563 -3.979 1.00 0.00 H new ATOM 0 HA GLU A 49 3.826 -1.505 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.427 -3.435 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.069 -2.421 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.083 -0.506 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.481 -1.480 -7.898 1.00 0.00 H new ATOM 700 N LEU A 50 2.477 0.303 -4.522 1.00 0.00 N ATOM 701 CA LEU A 50 1.770 1.375 -3.830 1.00 0.00 C ATOM 702 C LEU A 50 0.862 2.137 -4.790 1.00 0.00 C ATOM 703 O LEU A 50 1.148 2.236 -5.983 1.00 0.00 O ATOM 704 CB LEU A 50 2.768 2.337 -3.183 1.00 0.00 C ATOM 705 CG LEU A 50 2.198 3.286 -2.128 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.888 2.532 -0.844 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.168 4.427 -1.857 1.00 0.00 C ATOM 0 H LEU A 50 3.310 0.605 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 50 1.152 0.926 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.562 1.749 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.228 2.935 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 50 1.269 3.708 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.483 3.223 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.156 1.750 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.802 2.081 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.746 5.092 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.113 4.023 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.340 4.984 -2.778 1.00 0.00 H new ATOM 719 N GLN A 51 -0.233 2.674 -4.261 1.00 0.00 N ATOM 720 CA GLN A 51 -1.181 3.429 -5.071 1.00 0.00 C ATOM 721 C GLN A 51 -1.843 4.531 -4.250 1.00 0.00 C ATOM 722 O GLN A 51 -2.587 4.255 -3.309 1.00 0.00 O ATOM 723 CB GLN A 51 -2.247 2.495 -5.647 1.00 0.00 C ATOM 724 CG GLN A 51 -1.675 1.349 -6.465 1.00 0.00 C ATOM 725 CD GLN A 51 -2.726 0.645 -7.299 1.00 0.00 C ATOM 726 OE1 GLN A 51 -3.926 0.829 -7.092 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.281 -0.168 -8.251 1.00 0.00 N ATOM 0 H GLN A 51 -0.485 2.600 -3.275 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.632 3.893 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.840 2.086 -4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.925 3.074 -6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.893 1.731 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.206 0.628 -5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.278 -0.291 -8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.943 -0.669 -8.844 1.00 0.00 H new ATOM 736 N TYR A 52 -1.567 5.778 -4.613 1.00 0.00 N ATOM 737 CA TYR A 52 -2.134 6.922 -3.908 1.00 0.00 C ATOM 738 C TYR A 52 -2.712 7.936 -4.891 1.00 0.00 C ATOM 739 O TYR A 52 -2.281 8.019 -6.041 1.00 0.00 O ATOM 740 CB TYR A 52 -1.069 7.590 -3.037 1.00 0.00 C ATOM 741 CG TYR A 52 0.109 8.122 -3.821 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.066 7.261 -4.346 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.266 9.485 -4.039 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.144 7.743 -5.063 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.340 9.976 -4.755 1.00 0.00 C ATOM 746 CZ TYR A 52 2.276 9.101 -5.265 1.00 0.00 C ATOM 747 OH TYR A 52 3.348 9.585 -5.980 1.00 0.00 O ATOM 0 H TYR A 52 -0.954 6.023 -5.391 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.941 6.560 -3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.526 8.410 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.710 6.870 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.965 6.197 -4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.465 10.173 -3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.879 7.060 -5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.446 11.039 -4.915 1.00 0.00 H new ATOM 0 HH TYR A 52 3.292 10.562 -6.032 1.00 0.00 H new ATOM 757 N THR A 53 -3.691 8.707 -4.428 1.00 0.00 N ATOM 758 CA THR A 53 -4.330 9.715 -5.264 1.00 0.00 C ATOM 759 C THR A 53 -5.009 10.783 -4.415 1.00 0.00 C ATOM 760 O THR A 53 -5.618 10.479 -3.389 1.00 0.00 O ATOM 761 CB THR A 53 -5.372 9.085 -6.208 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.839 10.063 -7.144 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.548 8.528 -5.420 1.00 0.00 C ATOM 0 H THR A 53 -4.059 8.652 -3.478 1.00 0.00 H new ATOM 0 HA THR A 53 -3.543 10.176 -5.861 1.00 0.00 H new ATOM 0 HB THR A 53 -4.895 8.266 -6.746 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.500 9.655 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.271 8.088 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.193 7.764 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.024 9.332 -4.859 1.00 0.00 H new ATOM 771 N ILE A 54 -4.902 12.035 -4.850 1.00 0.00 N ATOM 772 CA ILE A 54 -5.509 13.147 -4.130 1.00 0.00 C ATOM 773 C ILE A 54 -7.029 13.109 -4.239 1.00 0.00 C ATOM 774 O ILE A 54 -7.588 13.238 -5.329 1.00 0.00 O ATOM 775 CB ILE A 54 -5.001 14.502 -4.656 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.521 14.686 -4.314 1.00 0.00 C ATOM 777 CG2 ILE A 54 -5.829 15.640 -4.077 1.00 0.00 C ATOM 778 CD1 ILE A 54 -2.820 15.701 -5.189 1.00 0.00 C ATOM 0 H ILE A 54 -4.401 12.304 -5.697 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.220 13.041 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.108 14.516 -5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.433 14.994 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.013 13.726 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.457 16.591 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.872 15.515 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.751 15.630 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.775 15.779 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.877 15.384 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.303 16.672 -5.078 1.00 0.00 H new ATOM 790 N PHE A 55 -7.695 12.934 -3.102 1.00 0.00 N ATOM 791 CA PHE A 55 -9.152 12.880 -3.069 1.00 0.00 C ATOM 792 C PHE A 55 -9.741 14.262 -2.808 1.00 0.00 C ATOM 793 O PHE A 55 -9.488 14.872 -1.768 1.00 0.00 O ATOM 794 CB PHE A 55 -9.623 11.900 -1.993 1.00 0.00 C ATOM 795 CG PHE A 55 -11.116 11.755 -1.926 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.889 12.704 -1.275 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.748 10.672 -2.514 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.263 12.573 -1.212 1.00 0.00 C ATOM 799 CE2 PHE A 55 -13.122 10.536 -2.455 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.881 11.488 -1.803 1.00 0.00 C ATOM 0 H PHE A 55 -7.249 12.827 -2.191 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.500 12.534 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.179 10.923 -2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.255 12.233 -1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.412 13.555 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.160 9.924 -3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.854 13.319 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.602 9.686 -2.918 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.955 11.384 -1.755 1.00 0.00 H new ATOM 1050 N MET A 72 -1.385 7.278 -8.802 1.00 0.00 N ATOM 1051 CA MET A 72 0.072 7.216 -8.781 1.00 0.00 C ATOM 1052 C MET A 72 0.552 5.877 -8.230 1.00 0.00 C ATOM 1053 O MET A 72 0.203 5.495 -7.112 1.00 0.00 O ATOM 1054 CB MET A 72 0.641 8.361 -7.940 1.00 0.00 C ATOM 1055 CG MET A 72 0.645 9.700 -8.659 1.00 0.00 C ATOM 1056 SD MET A 72 0.448 11.094 -7.532 1.00 0.00 S ATOM 1057 CE MET A 72 -1.203 10.792 -6.906 1.00 0.00 C ATOM 0 HA MET A 72 0.429 7.316 -9.806 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.058 8.452 -7.023 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.661 8.113 -7.646 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.580 9.811 -9.208 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.160 9.716 -9.394 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.840 11.647 -7.133 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.613 9.898 -7.377 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.162 10.647 -5.826 1.00 0.00 H new ATOM 1067 N ILE A 73 1.352 5.170 -9.020 1.00 0.00 N ATOM 1068 CA ILE A 73 1.879 3.874 -8.609 1.00 0.00 C ATOM 1069 C ILE A 73 3.396 3.918 -8.465 1.00 0.00 C ATOM 1070 O ILE A 73 4.085 4.582 -9.240 1.00 0.00 O ATOM 1071 CB ILE A 73 1.502 2.769 -9.613 1.00 0.00 C ATOM 1072 CG1 ILE A 73 -0.014 2.729 -9.815 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.013 1.419 -9.133 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.500 3.635 -10.925 1.00 0.00 C ATOM 0 H ILE A 73 1.650 5.472 -9.948 1.00 0.00 H new ATOM 0 HA ILE A 73 1.431 3.644 -7.642 1.00 0.00 H new ATOM 0 HB ILE A 73 1.972 2.994 -10.570 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.316 1.705 -10.034 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.504 3.014 -8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.738 0.649 -9.854 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.098 1.454 -9.036 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.569 1.185 -8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.584 3.555 -11.011 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.229 4.666 -10.698 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.038 3.337 -11.866 1.00 0.00 H new ATOM 1086 N VAL A 74 3.912 3.205 -7.469 1.00 0.00 N ATOM 1087 CA VAL A 74 5.348 3.160 -7.224 1.00 0.00 C ATOM 1088 C VAL A 74 5.817 1.733 -6.962 1.00 0.00 C ATOM 1089 O VAL A 74 5.738 1.223 -5.844 1.00 0.00 O ATOM 1090 CB VAL A 74 5.742 4.046 -6.027 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.205 3.838 -5.667 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.463 5.510 -6.334 1.00 0.00 C ATOM 0 H VAL A 74 3.356 2.650 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 74 5.834 3.540 -8.123 1.00 0.00 H new ATOM 0 HB VAL A 74 5.137 3.756 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.465 4.472 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.370 2.793 -5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.830 4.099 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.747 6.122 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.041 5.815 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.401 5.643 -6.538 1.00 0.00 H new ATOM 1102 N PRO A 75 6.317 1.071 -8.016 1.00 0.00 N ATOM 1103 CA PRO A 75 6.809 -0.306 -7.925 1.00 0.00 C ATOM 1104 C PRO A 75 8.102 -0.408 -7.124 1.00 0.00 C ATOM 1105 O PRO A 75 8.465 0.513 -6.393 1.00 0.00 O ATOM 1106 CB PRO A 75 7.053 -0.693 -9.386 1.00 0.00 C ATOM 1107 CG PRO A 75 7.293 0.600 -10.085 1.00 0.00 C ATOM 1108 CD PRO A 75 6.440 1.617 -9.378 1.00 0.00 C ATOM 0 HA PRO A 75 6.103 -0.957 -7.409 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.910 -1.360 -9.481 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.194 -1.216 -9.806 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.346 0.877 -10.043 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.024 0.530 -11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.907 2.602 -9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.467 1.727 -9.856 1.00 0.00 H new ATOM 1116 N ASN A 76 8.794 -1.534 -7.266 1.00 0.00 N ATOM 1117 CA ASN A 76 10.048 -1.755 -6.554 1.00 0.00 C ATOM 1118 C ASN A 76 9.900 -1.420 -5.073 1.00 0.00 C ATOM 1119 O ASN A 76 10.690 -0.657 -4.517 1.00 0.00 O ATOM 1120 CB ASN A 76 11.165 -0.910 -7.171 1.00 0.00 C ATOM 1121 CG ASN A 76 10.918 0.578 -7.012 1.00 0.00 C ATOM 1122 OD1 ASN A 76 11.275 1.173 -5.995 1.00 0.00 O ATOM 1123 ND2 ASN A 76 10.305 1.186 -8.021 1.00 0.00 N ATOM 0 H ASN A 76 8.508 -2.307 -7.867 1.00 0.00 H new ATOM 0 HA ASN A 76 10.307 -2.810 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.115 -1.170 -6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.255 -1.150 -8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.112 2.186 -7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.027 0.653 -8.845 1.00 0.00 H new ATOM 1130 N ILE A 77 8.883 -1.995 -4.441 1.00 0.00 N ATOM 1131 CA ILE A 77 8.632 -1.759 -3.025 1.00 0.00 C ATOM 1132 C ILE A 77 8.846 -3.029 -2.209 1.00 0.00 C ATOM 1133 O ILE A 77 7.969 -3.891 -2.141 1.00 0.00 O ATOM 1134 CB ILE A 77 7.201 -1.242 -2.785 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.941 0.011 -3.622 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.983 -0.953 -1.307 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.632 0.696 -3.295 1.00 0.00 C ATOM 0 H ILE A 77 8.219 -2.628 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 77 9.343 -0.999 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 77 6.495 -2.014 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.758 0.716 -3.470 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.946 -0.260 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.967 -0.588 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.131 -1.867 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.694 -0.196 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.514 1.576 -3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.806 0.008 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.631 0.998 -2.248 1.00 0.00 H new ATOM 1149 N LYS A 78 10.016 -3.139 -1.589 1.00 0.00 N ATOM 1150 CA LYS A 78 10.346 -4.302 -0.775 1.00 0.00 C ATOM 1151 C LYS A 78 10.321 -3.951 0.710 1.00 0.00 C ATOM 1152 O LYS A 78 11.190 -4.376 1.471 1.00 0.00 O ATOM 1153 CB LYS A 78 11.724 -4.845 -1.158 1.00 0.00 C ATOM 1154 CG LYS A 78 11.962 -4.894 -2.658 1.00 0.00 C ATOM 1155 CD LYS A 78 11.534 -6.228 -3.247 1.00 0.00 C ATOM 1156 CE LYS A 78 10.108 -6.172 -3.773 1.00 0.00 C ATOM 1157 NZ LYS A 78 10.010 -5.373 -5.026 1.00 0.00 N ATOM 0 H LYS A 78 10.753 -2.435 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 78 9.595 -5.070 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.491 -4.223 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.837 -5.848 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.410 -4.088 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.019 -4.726 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.211 -6.504 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.612 -7.005 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.749 -7.184 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.458 -5.738 -3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.135 -4.811 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.829 -4.736 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.997 -6.013 -5.846 1.00 0.00 H new ATOM 1171 N GLN A 79 9.320 -3.176 1.113 1.00 0.00 N ATOM 1172 CA GLN A 79 9.183 -2.770 2.507 1.00 0.00 C ATOM 1173 C GLN A 79 7.727 -2.841 2.954 1.00 0.00 C ATOM 1174 O GLN A 79 6.827 -3.052 2.142 1.00 0.00 O ATOM 1175 CB GLN A 79 9.719 -1.350 2.702 1.00 0.00 C ATOM 1176 CG GLN A 79 9.022 -0.313 1.837 1.00 0.00 C ATOM 1177 CD GLN A 79 9.779 1.000 1.776 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.830 1.153 2.399 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.247 1.956 1.024 1.00 0.00 N ATOM 0 H GLN A 79 8.592 -2.817 0.495 1.00 0.00 H new ATOM 0 HA GLN A 79 9.766 -3.459 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.610 -1.070 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.786 -1.339 2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.904 -0.707 0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.021 -0.133 2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.374 1.786 0.525 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.711 2.861 0.945 1.00 0.00 H new ATOM 1188 N ASN A 80 7.502 -2.665 4.252 1.00 0.00 N ATOM 1189 CA ASN A 80 6.154 -2.711 4.808 1.00 0.00 C ATOM 1190 C ASN A 80 5.603 -1.303 5.015 1.00 0.00 C ATOM 1191 O ASN A 80 4.571 -1.117 5.660 1.00 0.00 O ATOM 1192 CB ASN A 80 6.153 -3.471 6.136 1.00 0.00 C ATOM 1193 CG ASN A 80 6.135 -4.975 5.940 1.00 0.00 C ATOM 1194 OD1 ASN A 80 6.843 -5.510 5.087 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.322 -5.664 6.733 1.00 0.00 N ATOM 0 H ASN A 80 8.236 -2.489 4.939 1.00 0.00 H new ATOM 0 HA ASN A 80 5.513 -3.233 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.036 -3.193 6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.283 -3.173 6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.267 -6.679 6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.753 -5.178 7.426 1.00 0.00 H new ATOM 1202 N HIS A 81 6.299 -0.314 4.463 1.00 0.00 N ATOM 1203 CA HIS A 81 5.879 1.078 4.586 1.00 0.00 C ATOM 1204 C HIS A 81 6.646 1.965 3.610 1.00 0.00 C ATOM 1205 O HIS A 81 7.877 1.961 3.588 1.00 0.00 O ATOM 1206 CB HIS A 81 6.092 1.572 6.017 1.00 0.00 C ATOM 1207 CG HIS A 81 7.396 1.140 6.613 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.493 0.182 7.600 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.663 1.541 6.355 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.762 0.013 7.924 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.493 0.825 7.182 1.00 0.00 N ATOM 0 H HIS A 81 7.156 -0.450 3.927 1.00 0.00 H new ATOM 0 HA HIS A 81 4.818 1.134 4.344 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.040 2.661 6.028 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.278 1.208 6.643 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.965 2.285 5.633 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.138 -0.673 8.669 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.509 0.907 7.217 1.00 0.00 H new ATOM 1220 N TYR A 82 5.911 2.723 2.805 1.00 0.00 N ATOM 1221 CA TYR A 82 6.521 3.613 1.824 1.00 0.00 C ATOM 1222 C TYR A 82 6.127 5.063 2.085 1.00 0.00 C ATOM 1223 O TYR A 82 4.956 5.429 1.986 1.00 0.00 O ATOM 1224 CB TYR A 82 6.108 3.207 0.409 1.00 0.00 C ATOM 1225 CG TYR A 82 6.782 4.017 -0.675 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.535 5.377 -0.808 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.666 3.421 -1.567 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.149 6.122 -1.797 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.285 4.158 -2.558 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.023 5.508 -2.669 1.00 0.00 C ATOM 1231 OH TYR A 82 8.637 6.244 -3.656 1.00 0.00 O ATOM 0 H TYR A 82 4.891 2.739 2.812 1.00 0.00 H new ATOM 0 HA TYR A 82 7.604 3.527 1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.340 2.152 0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.028 3.312 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.851 5.861 -0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.872 2.364 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.945 7.179 -1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.970 3.680 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 82 9.222 5.661 -4.183 1.00 0.00 H new ATOM 1241 N THR A 83 7.116 5.887 2.419 1.00 0.00 N ATOM 1242 CA THR A 83 6.875 7.298 2.694 1.00 0.00 C ATOM 1243 C THR A 83 6.791 8.104 1.403 1.00 0.00 C ATOM 1244 O THR A 83 7.778 8.240 0.680 1.00 0.00 O ATOM 1245 CB THR A 83 7.980 7.893 3.587 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.237 7.022 4.695 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.580 9.268 4.099 1.00 0.00 C ATOM 0 H THR A 83 8.091 5.601 2.505 1.00 0.00 H new ATOM 0 HA THR A 83 5.922 7.359 3.219 1.00 0.00 H new ATOM 0 HB THR A 83 8.885 7.995 2.988 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.942 7.407 5.257 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.376 9.668 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.414 9.937 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.663 9.186 4.683 1.00 0.00 H new ATOM 1255 N VAL A 84 5.608 8.638 1.120 1.00 0.00 N ATOM 1256 CA VAL A 84 5.396 9.433 -0.084 1.00 0.00 C ATOM 1257 C VAL A 84 5.694 10.906 0.171 1.00 0.00 C ATOM 1258 O VAL A 84 5.031 11.553 0.983 1.00 0.00 O ATOM 1259 CB VAL A 84 3.952 9.294 -0.602 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.760 10.109 -1.872 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.610 7.831 -0.840 1.00 0.00 C ATOM 0 H VAL A 84 4.781 8.535 1.708 1.00 0.00 H new ATOM 0 HA VAL A 84 6.083 9.052 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 84 3.273 9.683 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.734 9.999 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.961 11.160 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.447 9.753 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.586 7.751 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.293 7.413 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.705 7.278 0.095 1.00 0.00 H new ATOM 1271 N HIS A 85 6.694 11.432 -0.529 1.00 0.00 N ATOM 1272 CA HIS A 85 7.079 12.831 -0.379 1.00 0.00 C ATOM 1273 C HIS A 85 6.583 13.661 -1.559 1.00 0.00 C ATOM 1274 O HIS A 85 6.701 13.250 -2.713 1.00 0.00 O ATOM 1275 CB HIS A 85 8.598 12.954 -0.258 1.00 0.00 C ATOM 1276 CG HIS A 85 9.124 12.574 1.093 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.039 13.338 1.786 1.00 0.00 N ATOM 1278 CD2 HIS A 85 8.856 11.505 1.878 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.312 12.754 2.939 1.00 0.00 C ATOM 1280 NE2 HIS A 85 9.607 11.640 3.020 1.00 0.00 N ATOM 0 H HIS A 85 7.252 10.911 -1.205 1.00 0.00 H new ATOM 0 HA HIS A 85 6.617 13.213 0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.067 12.322 -1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.890 13.981 -0.477 1.00 0.00 H new ATOM 0 HD1 HIS A 85 10.442 14.216 1.460 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.178 10.696 1.649 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.996 13.125 3.688 1.00 0.00 H new ATOM 1289 N GLY A 86 6.026 14.831 -1.262 1.00 0.00 N ATOM 1290 CA GLY A 86 5.519 15.699 -2.309 1.00 0.00 C ATOM 1291 C GLY A 86 4.010 15.837 -2.267 1.00 0.00 C ATOM 1292 O GLY A 86 3.359 15.937 -3.309 1.00 0.00 O ATOM 0 H GLY A 86 5.917 15.193 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.974 16.685 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.818 15.305 -3.280 1.00 0.00 H new ATOM 1296 N LEU A 87 3.451 15.842 -1.062 1.00 0.00 N ATOM 1297 CA LEU A 87 2.008 15.968 -0.889 1.00 0.00 C ATOM 1298 C LEU A 87 1.624 17.403 -0.546 1.00 0.00 C ATOM 1299 O LEU A 87 2.476 18.290 -0.503 1.00 0.00 O ATOM 1300 CB LEU A 87 1.522 15.021 0.210 1.00 0.00 C ATOM 1301 CG LEU A 87 1.804 13.535 -0.012 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.539 12.745 1.261 1.00 0.00 C ATOM 1303 CD2 LEU A 87 0.963 12.997 -1.160 1.00 0.00 C ATOM 0 H LEU A 87 3.975 15.760 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 87 1.529 15.699 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.983 15.321 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.446 15.153 0.326 1.00 0.00 H new ATOM 0 HG LEU A 87 2.856 13.421 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.745 11.689 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.185 13.112 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.496 12.867 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.177 11.938 -1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.094 13.125 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.202 13.542 -2.073 1.00 0.00 H new ATOM 1315 N GLN A 88 0.336 17.623 -0.299 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.160 18.951 0.042 1.00 0.00 C ATOM 1317 C GLN A 88 -0.656 18.993 1.484 1.00 0.00 C ATOM 1318 O GLN A 88 -1.169 18.002 2.003 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.287 19.358 -0.909 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.851 19.455 -2.362 1.00 0.00 C ATOM 1321 CD GLN A 88 -2.024 19.506 -3.321 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -2.926 20.332 -3.174 1.00 0.00 O ATOM 1323 NE2 GLN A 88 -2.018 18.622 -4.312 1.00 0.00 N ATOM 0 H GLN A 88 -0.382 16.899 -0.329 1.00 0.00 H new ATOM 0 HA GLN A 88 0.665 19.656 -0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.098 18.634 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.688 20.321 -0.593 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.239 20.347 -2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.223 18.598 -2.607 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.251 17.955 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.781 18.610 -4.989 1.00 0.00 H new ATOM 1332 N SER A 89 -0.497 20.146 2.125 1.00 0.00 N ATOM 1333 CA SER A 89 -0.925 20.316 3.509 1.00 0.00 C ATOM 1334 C SER A 89 -2.446 20.270 3.617 1.00 0.00 C ATOM 1335 O SER A 89 -3.157 20.643 2.685 1.00 0.00 O ATOM 1336 CB SER A 89 -0.402 21.641 4.068 1.00 0.00 C ATOM 1337 OG SER A 89 -0.622 22.702 3.154 1.00 0.00 O ATOM 0 H SER A 89 -0.075 20.976 1.709 1.00 0.00 H new ATOM 0 HA SER A 89 -0.512 19.495 4.095 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.898 21.862 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.664 21.555 4.280 1.00 0.00 H new ATOM 0 HG SER A 89 -0.281 23.538 3.535 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.938 19.810 4.763 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.372 19.723 4.974 1.00 0.00 C ATOM 1345 C GLY A 90 -5.116 19.294 3.725 1.00 0.00 C ATOM 1346 O GLY A 90 -5.924 20.050 3.183 1.00 0.00 O ATOM 0 H GLY A 90 -2.369 19.496 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.576 19.014 5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.747 20.692 5.302 1.00 0.00 H new ATOM 1350 N THR A 91 -4.843 18.078 3.263 1.00 0.00 N ATOM 1351 CA THR A 91 -5.490 17.550 2.069 1.00 0.00 C ATOM 1352 C THR A 91 -5.710 16.046 2.182 1.00 0.00 C ATOM 1353 O THR A 91 -4.878 15.327 2.734 1.00 0.00 O ATOM 1354 CB THR A 91 -4.660 17.843 0.805 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.591 19.255 0.580 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.268 17.160 -0.412 1.00 0.00 C ATOM 0 H THR A 91 -4.177 17.440 3.699 1.00 0.00 H new ATOM 0 HA THR A 91 -6.455 18.050 1.985 1.00 0.00 H new ATOM 0 HB THR A 91 -3.655 17.451 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.060 19.674 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.665 17.381 -1.293 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.292 16.082 -0.250 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.283 17.527 -0.566 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.836 15.576 1.654 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.165 14.157 1.696 1.00 0.00 C ATOM 1366 C ARG A 92 -6.275 13.363 0.744 1.00 0.00 C ATOM 1367 O ARG A 92 -5.965 13.819 -0.357 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.636 13.942 1.334 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.588 14.157 2.499 1.00 0.00 C ATOM 1370 CD ARG A 92 -11.018 13.799 2.124 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.738 14.940 1.564 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.297 15.891 2.304 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -12.218 15.840 3.626 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -12.936 16.897 1.720 1.00 0.00 N ATOM 0 H ARG A 92 -7.535 16.158 1.192 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.991 13.800 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.905 14.622 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.763 12.928 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.270 13.550 3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.544 15.198 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.010 12.984 1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.544 13.436 3.007 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.816 15.010 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.727 15.069 4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.648 16.572 4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.998 16.940 0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.365 17.627 2.288 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.867 12.176 1.176 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.010 11.320 0.364 1.00 0.00 C ATOM 1390 C TYR A 93 -5.347 9.848 0.580 1.00 0.00 C ATOM 1391 O TYR A 93 -5.153 9.310 1.671 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.539 11.573 0.698 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.919 12.695 -0.105 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.380 12.460 -1.363 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.875 13.990 0.396 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -1.812 13.482 -2.099 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.311 15.019 -0.334 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.781 14.760 -1.581 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.218 15.781 -2.311 1.00 0.00 O ATOM 0 H TYR A 93 -6.116 11.784 2.084 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.185 11.563 -0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.451 11.806 1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.973 10.658 0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.405 11.461 -1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.288 14.196 1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.395 13.281 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.285 16.020 0.070 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.662 16.626 -2.088 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.852 9.203 -0.466 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.214 7.793 -0.392 1.00 0.00 C ATOM 1411 C ILE A 94 -5.037 6.902 -0.772 1.00 0.00 C ATOM 1412 O ILE A 94 -4.273 7.220 -1.684 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.407 7.470 -1.311 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.582 8.401 -1.006 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.820 6.015 -1.149 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.811 8.116 -1.841 1.00 0.00 C ATOM 0 H ILE A 94 -6.020 9.634 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.497 7.594 0.641 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.103 7.628 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.841 8.312 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.271 9.432 -1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.664 5.801 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.983 5.368 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.109 5.832 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.604 8.814 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.568 8.233 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.147 7.096 -1.657 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.897 5.784 -0.068 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.813 4.845 -0.332 1.00 0.00 C ATOM 1430 C PHE A 95 -4.345 3.420 -0.456 1.00 0.00 C ATOM 1431 O PHE A 95 -5.269 3.028 0.258 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.766 4.916 0.782 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.079 6.248 0.875 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.658 7.294 1.575 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.853 6.454 0.262 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -2.029 8.521 1.663 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.218 7.679 0.347 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.807 8.714 1.047 1.00 0.00 C ATOM 0 H PHE A 95 -5.521 5.506 0.690 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.347 5.123 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.246 4.697 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.018 4.141 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.613 7.148 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.389 5.649 -0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.491 9.328 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.738 7.827 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.313 9.672 1.113 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.756 2.652 -1.366 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.170 1.271 -1.583 1.00 0.00 C ATOM 1450 C ILE A 96 -2.995 0.410 -2.033 1.00 0.00 C ATOM 1451 O ILE A 96 -2.491 0.561 -3.146 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.292 1.179 -2.633 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.568 1.840 -2.107 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.555 -0.274 -3.001 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.605 2.091 -3.180 1.00 0.00 C ATOM 0 H ILE A 96 -2.991 2.962 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.545 0.899 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.974 1.709 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.003 1.207 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.309 2.788 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.351 -0.323 -3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.647 -0.715 -3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.856 -0.826 -2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.482 2.561 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.188 2.749 -3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.893 1.144 -3.636 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.564 -0.496 -1.161 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.450 -1.385 -1.470 1.00 0.00 C ATOM 1469 C VAL A 97 -1.913 -2.579 -2.298 1.00 0.00 C ATOM 1470 O VAL A 97 -2.960 -3.169 -2.026 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.769 -1.897 -0.187 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.315 -2.910 -0.526 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.195 -0.736 0.610 1.00 0.00 C ATOM 0 H VAL A 97 -2.969 -0.634 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.731 -0.803 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.518 -2.395 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.785 -3.261 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.129 -3.755 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.066 -2.440 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.282 -1.116 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.542 -0.208 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.997 -0.051 0.884 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.127 -2.932 -3.309 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.453 -4.057 -4.177 1.00 0.00 C ATOM 1485 C LYS A 98 -0.358 -5.117 -4.129 1.00 0.00 C ATOM 1486 O LYS A 98 0.737 -4.915 -4.653 1.00 0.00 O ATOM 1487 CB LYS A 98 -1.651 -3.576 -5.616 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.143 -4.662 -6.558 1.00 0.00 C ATOM 1489 CD LYS A 98 -2.979 -4.084 -7.687 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.105 -3.552 -8.812 1.00 0.00 C ATOM 1491 NZ LYS A 98 -2.914 -2.940 -9.902 1.00 0.00 N ATOM 0 H LYS A 98 -0.258 -2.454 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.381 -4.503 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.365 -2.752 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.707 -3.181 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.290 -5.198 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.735 -5.388 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.647 -4.852 -8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.607 -3.281 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.412 -2.810 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.503 -4.364 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.313 -2.305 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.295 -3.689 -10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.699 -2.398 -9.489 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.661 -6.247 -3.498 1.00 0.00 N ATOM 1506 CA ALA A 99 0.297 -7.339 -3.386 1.00 0.00 C ATOM 1507 C ALA A 99 0.402 -8.115 -4.695 1.00 0.00 C ATOM 1508 O ALA A 99 -0.587 -8.662 -5.183 1.00 0.00 O ATOM 1509 CB ALA A 99 -0.096 -8.271 -2.248 1.00 0.00 C ATOM 0 H ALA A 99 -1.562 -6.430 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 99 1.275 -6.910 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.628 -9.082 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.112 -7.714 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.086 -8.684 -2.442 1.00 0.00 H new ATOM 1515 N ILE A 100 1.605 -8.157 -5.257 1.00 0.00 N ATOM 1516 CA ILE A 100 1.838 -8.866 -6.509 1.00 0.00 C ATOM 1517 C ILE A 100 2.691 -10.110 -6.287 1.00 0.00 C ATOM 1518 O ILE A 100 3.626 -10.098 -5.488 1.00 0.00 O ATOM 1519 CB ILE A 100 2.529 -7.962 -7.548 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.732 -6.670 -7.742 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.684 -8.698 -8.870 1.00 0.00 C ATOM 1522 CD1 ILE A 100 2.562 -5.524 -8.278 1.00 0.00 C ATOM 0 H ILE A 100 2.433 -7.709 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 100 0.861 -9.162 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 100 3.522 -7.703 -7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.906 -6.861 -8.427 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.294 -6.376 -6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.174 -8.047 -9.594 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.288 -9.593 -8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.701 -8.983 -9.245 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.933 -4.641 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.373 -5.306 -7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.979 -5.799 -9.247 1.00 0.00 H new ATOM 1534 N ASN A 101 2.362 -11.182 -7.000 1.00 0.00 N ATOM 1535 CA ASN A 101 3.100 -12.434 -6.881 1.00 0.00 C ATOM 1536 C ASN A 101 3.053 -13.219 -8.189 1.00 0.00 C ATOM 1537 O ASN A 101 2.479 -12.763 -9.177 1.00 0.00 O ATOM 1538 CB ASN A 101 2.527 -13.282 -5.744 1.00 0.00 C ATOM 1539 CG ASN A 101 1.101 -13.723 -6.013 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.438 -13.205 -6.912 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.622 -14.686 -5.233 1.00 0.00 N ATOM 0 H ASN A 101 1.590 -11.209 -7.666 1.00 0.00 H new ATOM 0 HA ASN A 101 4.140 -12.194 -6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.155 -14.161 -5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.559 -12.710 -4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.331 -15.025 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.207 -15.087 -4.500 1.00 0.00 H new ATOM 1548 N GLN A 102 3.659 -14.402 -8.185 1.00 0.00 N ATOM 1549 CA GLN A 102 3.686 -15.250 -9.370 1.00 0.00 C ATOM 1550 C GLN A 102 2.273 -15.538 -9.866 1.00 0.00 C ATOM 1551 O GLN A 102 2.048 -15.711 -11.063 1.00 0.00 O ATOM 1552 CB GLN A 102 4.411 -16.563 -9.068 1.00 0.00 C ATOM 1553 CG GLN A 102 4.205 -17.630 -10.131 1.00 0.00 C ATOM 1554 CD GLN A 102 4.660 -17.180 -11.505 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.158 -16.067 -11.673 1.00 0.00 O ATOM 1556 NE2 GLN A 102 4.490 -18.046 -12.498 1.00 0.00 N ATOM 0 H GLN A 102 4.138 -14.795 -7.374 1.00 0.00 H new ATOM 0 HA GLN A 102 4.225 -14.718 -10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.478 -16.364 -8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.065 -16.947 -8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.751 -18.530 -9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.149 -17.898 -10.172 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.073 -18.958 -12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.777 -17.799 -13.445 1.00 0.00 H new ATOM 1565 N ALA A 103 1.324 -15.588 -8.937 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.067 -15.854 -9.279 1.00 0.00 C ATOM 1567 C ALA A 103 -0.717 -14.633 -9.922 1.00 0.00 C ATOM 1568 O ALA A 103 -0.972 -14.615 -11.125 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.844 -16.278 -8.042 1.00 0.00 C ATOM 0 H ALA A 103 1.494 -15.448 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.088 -16.668 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.882 -16.473 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.401 -17.183 -7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.807 -15.482 -7.298 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.983 -13.614 -9.110 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.602 -12.404 -9.618 1.00 0.00 C ATOM 1577 C GLY A 104 -1.408 -11.220 -8.690 1.00 0.00 C ATOM 1578 O GLY A 104 -0.347 -11.064 -8.086 1.00 0.00 O ATOM 0 H GLY A 104 -0.781 -13.605 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.182 -12.168 -10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.668 -12.578 -9.762 1.00 0.00 H new ATOM 1582 N SER A 105 -2.435 -10.384 -8.578 1.00 0.00 N ATOM 1583 CA SER A 105 -2.371 -9.205 -7.722 1.00 0.00 C ATOM 1584 C SER A 105 -3.672 -9.027 -6.945 1.00 0.00 C ATOM 1585 O SER A 105 -4.698 -9.613 -7.289 1.00 0.00 O ATOM 1586 CB SER A 105 -2.087 -7.956 -8.558 1.00 0.00 C ATOM 1587 OG SER A 105 -3.128 -7.719 -9.490 1.00 0.00 O ATOM 0 H SER A 105 -3.321 -10.501 -9.069 1.00 0.00 H new ATOM 0 HA SER A 105 -1.559 -9.348 -7.009 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.978 -7.092 -7.902 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.141 -8.076 -9.087 1.00 0.00 H new ATOM 0 HG SER A 105 -2.924 -6.914 -10.011 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.620 -8.212 -5.896 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.793 -7.957 -5.069 1.00 0.00 C ATOM 1595 C ARG A 106 -4.781 -6.527 -4.535 1.00 0.00 C ATOM 1596 O ARG A 106 -3.867 -6.131 -3.813 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.847 -8.946 -3.903 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.089 -8.802 -3.039 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.335 -9.279 -3.770 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.555 -8.979 -3.024 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.725 -9.560 -3.266 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.833 -10.466 -4.228 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.790 -9.234 -2.545 1.00 0.00 N ATOM 0 H ARG A 106 -2.779 -7.718 -5.599 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.679 -8.089 -5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.804 -9.961 -4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.963 -8.809 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.963 -9.375 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.213 -7.759 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.384 -8.805 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.268 -10.354 -3.938 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.506 -8.286 -2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.016 -10.719 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.733 -10.910 -4.411 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.711 -8.537 -1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.688 -9.680 -2.731 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.802 -5.757 -4.897 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.908 -4.371 -4.457 1.00 0.00 C ATOM 1619 C ASN A 107 -6.634 -4.281 -3.117 1.00 0.00 C ATOM 1620 O ASN A 107 -7.762 -4.753 -2.977 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.645 -3.535 -5.506 1.00 0.00 C ATOM 1622 CG ASN A 107 -6.126 -2.112 -5.579 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -6.902 -1.157 -5.605 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -4.807 -1.965 -5.614 1.00 0.00 N ATOM 0 H ASN A 107 -6.568 -6.070 -5.494 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.899 -3.977 -4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.540 -4.008 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.709 -3.519 -5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -4.399 -1.031 -5.665 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.202 -2.786 -5.590 1.00 0.00 H new ATOM 1631 N SER A 108 -5.978 -3.669 -2.136 1.00 0.00 N ATOM 1632 CA SER A 108 -6.559 -3.519 -0.807 1.00 0.00 C ATOM 1633 C SER A 108 -7.607 -2.410 -0.794 1.00 0.00 C ATOM 1634 O SER A 108 -7.763 -1.679 -1.771 1.00 0.00 O ATOM 1635 CB SER A 108 -5.465 -3.215 0.219 1.00 0.00 C ATOM 1636 OG SER A 108 -5.878 -3.575 1.526 1.00 0.00 O ATOM 0 H SER A 108 -5.045 -3.269 -2.236 1.00 0.00 H new ATOM 0 HA SER A 108 -7.046 -4.458 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.557 -3.758 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.220 -2.153 0.191 1.00 0.00 H new ATOM 0 HG SER A 108 -5.295 -4.283 1.870 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.321 -2.293 0.321 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.355 -1.274 0.462 1.00 0.00 C ATOM 1644 C GLU A 109 -8.738 0.121 0.531 1.00 0.00 C ATOM 1645 O GLU A 109 -7.611 0.306 0.991 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.194 -1.535 1.714 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.175 -2.685 1.560 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.407 -2.298 0.764 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -12.340 -2.321 -0.482 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.437 -1.971 1.390 1.00 0.00 O ATOM 0 H GLU A 109 -8.203 -2.890 1.139 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.000 -1.325 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.528 -1.746 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.745 -0.629 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.676 -3.520 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.479 -3.033 2.547 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.494 1.125 0.064 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.044 2.520 0.062 1.00 0.00 C ATOM 1659 C PRO A 110 -8.962 3.105 1.468 1.00 0.00 C ATOM 1660 O PRO A 110 -9.981 3.292 2.135 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.120 3.240 -0.754 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.338 2.395 -0.604 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.847 0.977 -0.497 1.00 0.00 C ATOM 0 HA PRO A 110 -8.039 2.623 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.290 4.250 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.828 3.332 -1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.904 2.680 0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -12.004 2.514 -1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.487 0.378 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.827 0.484 -1.469 1.00 0.00 H new ATOM 1671 N THR A 111 -7.743 3.393 1.915 1.00 0.00 N ATOM 1672 CA THR A 111 -7.529 3.956 3.242 1.00 0.00 C ATOM 1673 C THR A 111 -7.417 5.475 3.183 1.00 0.00 C ATOM 1674 O THR A 111 -6.390 6.016 2.775 1.00 0.00 O ATOM 1675 CB THR A 111 -6.257 3.384 3.896 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.387 1.968 4.064 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.001 4.039 5.245 1.00 0.00 C ATOM 0 H THR A 111 -6.889 3.245 1.377 1.00 0.00 H new ATOM 0 HA THR A 111 -8.394 3.681 3.845 1.00 0.00 H new ATOM 0 HB THR A 111 -5.412 3.595 3.241 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.314 1.743 5.015 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.098 3.619 5.688 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.873 5.113 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.848 3.855 5.906 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.481 6.158 3.594 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.502 7.616 3.587 1.00 0.00 C ATOM 1687 C ARG A 112 -7.621 8.177 4.700 1.00 0.00 C ATOM 1688 O ARG A 112 -7.741 7.782 5.860 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.935 8.127 3.750 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.695 8.236 2.438 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.776 9.303 2.507 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.695 9.079 3.621 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.563 9.987 4.051 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.632 11.174 3.463 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.366 9.709 5.070 1.00 0.00 N ATOM 0 H ARG A 112 -9.339 5.725 3.936 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.109 7.956 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.476 7.458 4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.911 9.106 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.000 8.472 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.147 7.274 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.312 10.284 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.336 9.313 1.572 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.668 8.176 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.017 11.391 2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.300 11.870 3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.317 8.797 5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.032 10.407 5.399 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.736 9.100 4.338 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.834 9.716 5.305 1.00 0.00 C ATOM 1711 C LEU A 113 -5.748 11.223 5.085 1.00 0.00 C ATOM 1712 O LEU A 113 -5.820 11.702 3.954 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.441 9.093 5.201 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.365 7.580 5.408 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.972 7.066 5.080 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.748 7.217 6.835 1.00 0.00 C ATOM 0 H LEU A 113 -6.624 9.438 3.382 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.232 9.535 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.033 9.326 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.795 9.573 5.936 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.074 7.104 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.937 5.987 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.736 7.293 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.243 7.549 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.688 6.136 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.064 7.704 7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.766 7.550 7.034 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.590 11.966 6.176 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.490 13.419 6.104 1.00 0.00 C ATOM 1730 C LYS A 114 -4.179 13.905 6.714 1.00 0.00 C ATOM 1731 O LYS A 114 -3.773 13.448 7.783 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.672 14.069 6.826 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.908 14.220 5.955 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.973 15.061 6.639 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.589 16.533 6.664 1.00 0.00 C ATOM 1736 NZ LYS A 114 -9.556 17.344 7.454 1.00 0.00 N ATOM 0 H LYS A 114 -5.528 11.585 7.120 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.511 13.708 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.925 13.471 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.370 15.052 7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.632 14.682 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.314 13.235 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.923 14.940 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.120 14.705 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.591 16.641 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.543 16.914 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.260 18.341 7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.504 17.261 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.581 16.997 8.434 1.00 0.00 H new ATOM 1750 N THR A 115 -3.521 14.835 6.029 1.00 0.00 N ATOM 1751 CA THR A 115 -2.256 15.382 6.503 1.00 0.00 C ATOM 1752 C THR A 115 -2.484 16.434 7.583 1.00 0.00 C ATOM 1753 O THR A 115 -3.615 16.847 7.832 1.00 0.00 O ATOM 1754 CB THR A 115 -1.449 16.011 5.352 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.221 17.034 4.714 1.00 0.00 O ATOM 1756 CG2 THR A 115 -1.052 14.956 4.331 1.00 0.00 C ATOM 0 H THR A 115 -3.844 15.225 5.144 1.00 0.00 H new ATOM 0 HA THR A 115 -1.689 14.551 6.922 1.00 0.00 H new ATOM 0 HB THR A 115 -0.542 16.449 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.804 17.274 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.483 15.423 3.527 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.440 14.195 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.949 14.493 3.919 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.400 16.864 8.222 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.482 17.868 9.275 1.00 0.00 C ATOM 1766 C ASN A 116 -1.662 19.263 8.684 1.00 0.00 C ATOM 1767 O ASN A 116 -0.943 19.657 7.766 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.223 17.829 10.145 1.00 0.00 C ATOM 1769 CG ASN A 116 -0.226 16.662 11.113 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -1.078 16.577 11.997 1.00 0.00 O ATOM 1771 ND2 ASN A 116 0.732 15.757 10.951 1.00 0.00 N ATOM 0 H ASN A 116 -0.455 16.532 8.028 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.350 17.640 9.893 1.00 0.00 H new ATOM 0 HB2 ASN A 116 0.656 17.764 9.504 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -0.142 18.761 10.704 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.782 14.951 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.418 15.868 10.204 1.00 0.00 H new