USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=25 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 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 39 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= -0.828 USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -45:sc= -0.594 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= -2.03! C(o=-2!,f=-3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 36 HIS : no HE2:sc= -2.6 K(o=-2.6,f=-1.5) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0349 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 51 GLN : amide:sc= 0 X(o=0,f=-0.37) 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 166:sc=-0.000949 (180deg=-0.188) USER MOD Single : A 76 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= -0.0934 (180deg=-0.477) USER MOD Single : A 79 GLN : amide:sc= -0.846 K(o=-0.85,f=-1.9!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.015) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0701 USER MOD Single : A 85 HIS : no HD1:sc= -0.433 X(o=-0.43,f=0.03) USER MOD Single : A 88 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.3) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc=-1.37e-06 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.237 USER MOD Single : A 101 ASN : amide:sc= -1.93! C(o=-1.9!,f=-11!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.2) USER MOD Single : A 108 SER OG : rot 160:sc= 1.13 USER MOD Single : A 111 THR OG1 : rot -130:sc= -0.505 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -129:sc= 0.205 USER MOD Single : A 116 ASN : amide:sc=-0.000234 K(o=-0.00023,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -3.997 -16.402 -6.079 1.00 0.00 N ATOM 174 CA ALA A 15 -4.153 -14.984 -5.783 1.00 0.00 C ATOM 175 C ALA A 15 -3.588 -14.645 -4.407 1.00 0.00 C ATOM 176 O ALA A 15 -3.878 -15.307 -3.411 1.00 0.00 O ATOM 177 CB ALA A 15 -5.619 -14.585 -5.867 1.00 0.00 C ATOM 0 HA ALA A 15 -3.591 -14.419 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.720 -13.523 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.993 -14.782 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.196 -15.164 -5.146 1.00 0.00 H new ATOM 183 N PRO A 16 -2.763 -13.590 -4.349 1.00 0.00 N ATOM 184 CA PRO A 16 -2.140 -13.139 -3.101 1.00 0.00 C ATOM 185 C PRO A 16 -3.151 -12.526 -2.137 1.00 0.00 C ATOM 186 O PRO A 16 -4.017 -11.751 -2.542 1.00 0.00 O ATOM 187 CB PRO A 16 -1.136 -12.082 -3.566 1.00 0.00 C ATOM 188 CG PRO A 16 -1.684 -11.581 -4.857 1.00 0.00 C ATOM 189 CD PRO A 16 -2.373 -12.754 -5.498 1.00 0.00 C ATOM 0 HA PRO A 16 -1.687 -13.964 -2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.042 -11.277 -2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.142 -12.510 -3.697 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.382 -10.761 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.888 -11.199 -5.496 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.240 -12.442 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.709 -13.289 -6.177 1.00 0.00 H new ATOM 197 N ASN A 17 -3.033 -12.877 -0.861 1.00 0.00 N ATOM 198 CA ASN A 17 -3.937 -12.361 0.160 1.00 0.00 C ATOM 199 C ASN A 17 -3.902 -10.836 0.197 1.00 0.00 C ATOM 200 O ASN A 17 -2.852 -10.211 0.043 1.00 0.00 O ATOM 201 CB ASN A 17 -3.565 -12.924 1.533 1.00 0.00 C ATOM 202 CG ASN A 17 -4.110 -14.323 1.751 1.00 0.00 C ATOM 203 OD1 ASN A 17 -4.479 -15.012 0.800 1.00 0.00 O ATOM 204 ND2 ASN A 17 -4.163 -14.748 3.007 1.00 0.00 N ATOM 0 H ASN A 17 -2.320 -13.517 -0.509 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.949 -12.678 -0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.480 -12.940 1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.948 -12.262 2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.521 -15.680 3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.846 -14.142 3.764 1.00 0.00 H new ATOM 211 N PRO A 18 -5.075 -10.221 0.408 1.00 0.00 N ATOM 212 CA PRO A 18 -5.205 -8.762 0.472 1.00 0.00 C ATOM 213 C PRO A 18 -4.562 -8.178 1.725 1.00 0.00 C ATOM 214 O PRO A 18 -4.887 -8.553 2.852 1.00 0.00 O ATOM 215 CB PRO A 18 -6.719 -8.541 0.495 1.00 0.00 C ATOM 216 CG PRO A 18 -7.277 -9.800 1.064 1.00 0.00 C ATOM 217 CD PRO A 18 -6.366 -10.903 0.601 1.00 0.00 C ATOM 0 HA PRO A 18 -4.702 -8.271 -0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.984 -7.679 1.107 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.107 -8.353 -0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.312 -9.754 2.152 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.297 -9.966 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.293 -11.700 1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.723 -11.357 -0.323 1.00 0.00 H new ATOM 225 N PRO A 19 -3.627 -7.236 1.528 1.00 0.00 N ATOM 226 CA PRO A 19 -2.920 -6.579 2.631 1.00 0.00 C ATOM 227 C PRO A 19 -3.828 -5.650 3.429 1.00 0.00 C ATOM 228 O PRO A 19 -4.734 -5.026 2.877 1.00 0.00 O ATOM 229 CB PRO A 19 -1.825 -5.778 1.923 1.00 0.00 C ATOM 230 CG PRO A 19 -2.359 -5.534 0.554 1.00 0.00 C ATOM 231 CD PRO A 19 -3.190 -6.740 0.212 1.00 0.00 C ATOM 0 HA PRO A 19 -2.540 -7.297 3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.622 -4.841 2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.888 -6.333 1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.960 -4.625 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.549 -5.402 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.038 -6.478 -0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.609 -7.489 -0.327 1.00 0.00 H new ATOM 239 N SER A 20 -3.579 -5.562 4.732 1.00 0.00 N ATOM 240 CA SER A 20 -4.376 -4.711 5.608 1.00 0.00 C ATOM 241 C SER A 20 -3.619 -3.435 5.962 1.00 0.00 C ATOM 242 O SER A 20 -2.529 -3.485 6.533 1.00 0.00 O ATOM 243 CB SER A 20 -4.752 -5.466 6.884 1.00 0.00 C ATOM 244 OG SER A 20 -5.990 -6.138 6.734 1.00 0.00 O ATOM 0 H SER A 20 -2.831 -6.070 5.204 1.00 0.00 H new ATOM 0 HA SER A 20 -5.287 -4.436 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.971 -6.186 7.127 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.813 -4.768 7.719 1.00 0.00 H new ATOM 0 HG SER A 20 -6.206 -6.614 7.563 1.00 0.00 H new ATOM 250 N ILE A 21 -4.204 -2.292 5.618 1.00 0.00 N ATOM 251 CA ILE A 21 -3.586 -1.003 5.901 1.00 0.00 C ATOM 252 C ILE A 21 -3.885 -0.550 7.326 1.00 0.00 C ATOM 253 O ILE A 21 -5.044 -0.379 7.703 1.00 0.00 O ATOM 254 CB ILE A 21 -4.070 0.080 4.918 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.749 -0.327 3.478 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.431 1.420 5.251 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.444 0.526 2.440 1.00 0.00 C ATOM 0 H ILE A 21 -5.105 -2.233 5.143 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.511 -1.136 5.783 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.151 0.181 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.672 -0.267 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.035 -1.369 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.782 2.175 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.705 1.712 6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.347 1.334 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.170 0.181 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.524 0.447 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.139 1.566 2.560 1.00 0.00 H new ATOM 269 N ARG A 22 -2.831 -0.357 8.112 1.00 0.00 N ATOM 270 CA ARG A 22 -2.981 0.077 9.496 1.00 0.00 C ATOM 271 C ARG A 22 -3.014 1.600 9.588 1.00 0.00 C ATOM 272 O ARG A 22 -2.094 2.278 9.135 1.00 0.00 O ATOM 273 CB ARG A 22 -1.836 -0.471 10.351 1.00 0.00 C ATOM 274 CG ARG A 22 -1.716 -1.986 10.309 1.00 0.00 C ATOM 275 CD ARG A 22 -2.841 -2.656 11.083 1.00 0.00 C ATOM 276 NE ARG A 22 -2.550 -2.735 12.512 1.00 0.00 N ATOM 277 CZ ARG A 22 -3.204 -3.529 13.352 1.00 0.00 C ATOM 278 NH1 ARG A 22 -4.180 -4.309 12.908 1.00 0.00 N ATOM 279 NH2 ARG A 22 -2.882 -3.545 14.639 1.00 0.00 N ATOM 0 H ARG A 22 -1.865 -0.494 7.815 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.927 -0.313 9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.898 -0.031 10.012 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.982 -0.155 11.384 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.734 -2.325 9.273 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.756 -2.288 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.766 -2.100 10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.004 -3.660 10.690 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.804 -2.148 12.885 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.430 -4.300 11.919 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.681 -4.918 13.555 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.131 -2.947 14.984 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.385 -4.155 15.283 1.00 0.00 H new ATOM 293 N GLU A 23 -4.082 2.128 10.178 1.00 0.00 N ATOM 294 CA GLU A 23 -4.235 3.571 10.328 1.00 0.00 C ATOM 295 C GLU A 23 -3.574 4.058 11.614 1.00 0.00 C ATOM 296 O GLU A 23 -3.156 5.211 11.710 1.00 0.00 O ATOM 297 CB GLU A 23 -5.717 3.951 10.327 1.00 0.00 C ATOM 298 CG GLU A 23 -6.454 3.530 9.067 1.00 0.00 C ATOM 299 CD GLU A 23 -6.814 2.057 9.066 1.00 0.00 C ATOM 300 OE1 GLU A 23 -7.025 1.498 10.163 1.00 0.00 O ATOM 301 OE2 GLU A 23 -6.885 1.464 7.970 1.00 0.00 O ATOM 0 H GLU A 23 -4.853 1.579 10.559 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.743 4.053 9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.201 3.494 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.806 5.031 10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.364 4.122 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.834 3.749 8.198 1.00 0.00 H new ATOM 308 N GLU A 24 -3.484 3.170 12.599 1.00 0.00 N ATOM 309 CA GLU A 24 -2.875 3.510 13.880 1.00 0.00 C ATOM 310 C GLU A 24 -1.354 3.555 13.764 1.00 0.00 C ATOM 311 O GLU A 24 -0.677 4.190 14.574 1.00 0.00 O ATOM 312 CB GLU A 24 -3.286 2.496 14.950 1.00 0.00 C ATOM 313 CG GLU A 24 -2.596 1.150 14.811 1.00 0.00 C ATOM 314 CD GLU A 24 -2.733 0.293 16.054 1.00 0.00 C ATOM 315 OE1 GLU A 24 -2.704 0.855 17.168 1.00 0.00 O ATOM 316 OE2 GLU A 24 -2.870 -0.941 15.912 1.00 0.00 O ATOM 0 H GLU A 24 -3.825 2.211 12.535 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.230 4.499 14.171 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.064 2.909 15.934 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.365 2.348 14.903 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.017 0.617 13.958 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.539 1.308 14.598 1.00 0.00 H new ATOM 323 N LEU A 25 -0.824 2.877 12.752 1.00 0.00 N ATOM 324 CA LEU A 25 0.617 2.839 12.530 1.00 0.00 C ATOM 325 C LEU A 25 1.035 3.871 11.488 1.00 0.00 C ATOM 326 O LEU A 25 2.153 4.387 11.524 1.00 0.00 O ATOM 327 CB LEU A 25 1.047 1.441 12.079 1.00 0.00 C ATOM 328 CG LEU A 25 0.584 0.280 12.961 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.025 -1.049 12.368 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.119 0.439 14.376 1.00 0.00 C ATOM 0 H LEU A 25 -1.370 2.347 12.073 1.00 0.00 H new ATOM 0 HA LEU A 25 1.111 3.079 13.472 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.673 1.276 11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.135 1.417 12.023 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.505 0.292 13.003 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.687 -1.863 13.009 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.592 -1.165 11.374 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.112 -1.072 12.295 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.780 -0.396 14.989 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.209 0.453 14.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.753 1.374 14.801 1.00 0.00 H new ATOM 342 N CYS A 26 0.130 4.171 10.563 1.00 0.00 N ATOM 343 CA CYS A 26 0.404 5.144 9.512 1.00 0.00 C ATOM 344 C CYS A 26 0.438 6.560 10.077 1.00 0.00 C ATOM 345 O CYS A 26 -0.275 6.878 11.029 1.00 0.00 O ATOM 346 CB CYS A 26 -0.652 5.046 8.410 1.00 0.00 C ATOM 347 SG CYS A 26 -2.162 5.981 8.751 1.00 0.00 S ATOM 0 H CYS A 26 -0.800 3.754 10.520 1.00 0.00 H new ATOM 0 HA CYS A 26 1.383 4.919 9.088 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.220 5.402 7.475 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.912 3.998 8.262 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.534 5.772 9.979 1.00 0.00 H new ATOM 353 N THR A 27 1.273 7.408 9.485 1.00 0.00 N ATOM 354 CA THR A 27 1.402 8.790 9.930 1.00 0.00 C ATOM 355 C THR A 27 1.117 9.764 8.793 1.00 0.00 C ATOM 356 O THR A 27 1.137 9.387 7.621 1.00 0.00 O ATOM 357 CB THR A 27 2.810 9.070 10.490 1.00 0.00 C ATOM 358 OG1 THR A 27 3.784 8.951 9.448 1.00 0.00 O ATOM 359 CG2 THR A 27 3.145 8.105 11.618 1.00 0.00 C ATOM 0 H THR A 27 1.870 7.162 8.696 1.00 0.00 H new ATOM 0 HA THR A 27 0.667 8.937 10.722 1.00 0.00 H new ATOM 0 HB THR A 27 2.825 10.086 10.886 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.676 9.132 9.812 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.144 8.322 11.998 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.418 8.219 12.422 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.113 7.082 11.243 1.00 0.00 H new ATOM 367 N ALA A 28 0.854 11.018 9.145 1.00 0.00 N ATOM 368 CA ALA A 28 0.568 12.046 8.153 1.00 0.00 C ATOM 369 C ALA A 28 1.427 13.285 8.383 1.00 0.00 C ATOM 370 O ALA A 28 1.604 13.728 9.518 1.00 0.00 O ATOM 371 CB ALA A 28 -0.909 12.412 8.183 1.00 0.00 C ATOM 0 H ALA A 28 0.833 11.346 10.110 1.00 0.00 H new ATOM 0 HA ALA A 28 0.812 11.645 7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.108 13.181 7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.507 11.528 7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.170 12.789 9.172 1.00 0.00 H new ATOM 377 N SER A 29 1.959 13.840 7.299 1.00 0.00 N ATOM 378 CA SER A 29 2.804 15.025 7.383 1.00 0.00 C ATOM 379 C SER A 29 2.377 16.071 6.358 1.00 0.00 C ATOM 380 O SER A 29 1.616 15.778 5.435 1.00 0.00 O ATOM 381 CB SER A 29 4.271 14.649 7.164 1.00 0.00 C ATOM 382 OG SER A 29 4.863 14.185 8.365 1.00 0.00 O ATOM 0 H SER A 29 1.820 13.488 6.352 1.00 0.00 H new ATOM 0 HA SER A 29 2.691 15.451 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.341 13.877 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.820 15.515 6.795 1.00 0.00 H new ATOM 0 HG SER A 29 5.800 13.950 8.198 1.00 0.00 H new ATOM 388 N HIS A 30 2.873 17.293 6.526 1.00 0.00 N ATOM 389 CA HIS A 30 2.543 18.384 5.615 1.00 0.00 C ATOM 390 C HIS A 30 2.392 17.871 4.186 1.00 0.00 C ATOM 391 O HIS A 30 1.279 17.758 3.672 1.00 0.00 O ATOM 392 CB HIS A 30 3.623 19.465 5.670 1.00 0.00 C ATOM 393 CG HIS A 30 5.004 18.923 5.871 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.453 18.437 7.081 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.038 18.790 5.008 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.703 18.030 6.954 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.082 18.233 5.705 1.00 0.00 N ATOM 0 H HIS A 30 3.504 17.553 7.284 1.00 0.00 H new ATOM 0 HA HIS A 30 1.592 18.814 5.930 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.598 20.039 4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.392 20.157 6.480 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.041 19.070 3.965 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.312 17.604 7.738 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.001 18.012 5.321 1.00 0.00 H new ATOM 406 N ASP A 31 3.517 17.564 3.551 1.00 0.00 N ATOM 407 CA ASP A 31 3.509 17.063 2.181 1.00 0.00 C ATOM 408 C ASP A 31 4.100 15.659 2.112 1.00 0.00 C ATOM 409 O ASP A 31 4.757 15.296 1.136 1.00 0.00 O ATOM 410 CB ASP A 31 4.294 18.005 1.267 1.00 0.00 C ATOM 411 CG ASP A 31 5.757 18.102 1.653 1.00 0.00 C ATOM 412 OD1 ASP A 31 6.317 17.085 2.114 1.00 0.00 O ATOM 413 OD2 ASP A 31 6.342 19.195 1.497 1.00 0.00 O ATOM 0 H ASP A 31 4.446 17.653 3.962 1.00 0.00 H new ATOM 0 HA ASP A 31 2.474 17.019 1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.215 17.656 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.846 18.998 1.302 1.00 0.00 H new ATOM 418 N THR A 32 3.863 14.871 3.157 1.00 0.00 N ATOM 419 CA THR A 32 4.373 13.507 3.216 1.00 0.00 C ATOM 420 C THR A 32 3.481 12.624 4.082 1.00 0.00 C ATOM 421 O THR A 32 2.786 13.112 4.973 1.00 0.00 O ATOM 422 CB THR A 32 5.809 13.468 3.772 1.00 0.00 C ATOM 423 OG1 THR A 32 6.028 14.584 4.642 1.00 0.00 O ATOM 424 CG2 THR A 32 6.827 13.492 2.642 1.00 0.00 C ATOM 0 H THR A 32 3.321 15.155 3.973 1.00 0.00 H new ATOM 0 HA THR A 32 4.376 13.126 2.195 1.00 0.00 H new ATOM 0 HB THR A 32 5.933 12.541 4.332 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.943 14.551 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.834 13.464 3.059 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.676 12.626 1.998 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.701 14.404 2.058 1.00 0.00 H new ATOM 432 N ILE A 33 3.507 11.322 3.815 1.00 0.00 N ATOM 433 CA ILE A 33 2.702 10.372 4.571 1.00 0.00 C ATOM 434 C ILE A 33 3.317 8.977 4.533 1.00 0.00 C ATOM 435 O ILE A 33 3.796 8.526 3.492 1.00 0.00 O ATOM 436 CB ILE A 33 1.261 10.300 4.032 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.576 11.662 4.160 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.470 9.232 4.774 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.836 11.682 3.619 1.00 0.00 C ATOM 0 H ILE A 33 4.077 10.902 3.081 1.00 0.00 H new ATOM 0 HA ILE A 33 2.679 10.728 5.601 1.00 0.00 H new ATOM 0 HB ILE A 33 1.297 10.030 2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.558 11.953 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.169 12.409 3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.546 9.193 4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.949 8.263 4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.440 9.474 5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.259 12.679 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.824 11.422 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.444 10.959 4.163 1.00 0.00 H new ATOM 451 N THR A 34 3.300 8.297 5.675 1.00 0.00 N ATOM 452 CA THR A 34 3.855 6.953 5.773 1.00 0.00 C ATOM 453 C THR A 34 2.764 5.926 6.055 1.00 0.00 C ATOM 454 O THR A 34 2.201 5.888 7.149 1.00 0.00 O ATOM 455 CB THR A 34 4.924 6.866 6.879 1.00 0.00 C ATOM 456 OG1 THR A 34 5.863 7.937 6.737 1.00 0.00 O ATOM 457 CG2 THR A 34 5.655 5.533 6.821 1.00 0.00 C ATOM 0 H THR A 34 2.908 8.655 6.546 1.00 0.00 H new ATOM 0 HA THR A 34 4.318 6.732 4.811 1.00 0.00 H new ATOM 0 HB THR A 34 4.424 6.947 7.844 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.538 7.876 7.445 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.405 5.495 7.611 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.941 4.720 6.958 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.143 5.428 5.852 1.00 0.00 H new ATOM 465 N VAL A 35 2.470 5.094 5.061 1.00 0.00 N ATOM 466 CA VAL A 35 1.447 4.065 5.203 1.00 0.00 C ATOM 467 C VAL A 35 2.063 2.730 5.605 1.00 0.00 C ATOM 468 O VAL A 35 3.088 2.318 5.061 1.00 0.00 O ATOM 469 CB VAL A 35 0.653 3.879 3.896 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.479 2.883 4.096 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.117 5.215 3.404 1.00 0.00 C ATOM 0 H VAL A 35 2.926 5.113 4.149 1.00 0.00 H new ATOM 0 HA VAL A 35 0.768 4.399 5.987 1.00 0.00 H new ATOM 0 HB VAL A 35 1.326 3.481 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.029 2.765 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.067 1.920 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.153 3.249 4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.441 5.065 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.541 5.644 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.949 5.895 3.219 1.00 0.00 H new ATOM 481 N HIS A 36 1.430 2.056 6.560 1.00 0.00 N ATOM 482 CA HIS A 36 1.916 0.765 7.035 1.00 0.00 C ATOM 483 C HIS A 36 0.908 -0.339 6.731 1.00 0.00 C ATOM 484 O HIS A 36 -0.230 -0.300 7.198 1.00 0.00 O ATOM 485 CB HIS A 36 2.190 0.821 8.538 1.00 0.00 C ATOM 486 CG HIS A 36 3.156 1.896 8.931 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.197 1.688 9.811 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.235 3.195 8.557 1.00 0.00 C ATOM 489 CE1 HIS A 36 4.874 2.813 9.962 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.311 3.742 9.212 1.00 0.00 N ATOM 0 H HIS A 36 0.580 2.382 7.020 1.00 0.00 H new ATOM 0 HA HIS A 36 2.845 0.539 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.249 0.979 9.065 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.580 -0.143 8.864 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.411 0.804 10.273 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.575 3.706 7.871 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.741 2.949 10.592 1.00 0.00 H new ATOM 499 N TRP A 37 1.334 -1.322 5.945 1.00 0.00 N ATOM 500 CA TRP A 37 0.468 -2.437 5.578 1.00 0.00 C ATOM 501 C TRP A 37 0.954 -3.735 6.213 1.00 0.00 C ATOM 502 O TRP A 37 2.140 -4.062 6.148 1.00 0.00 O ATOM 503 CB TRP A 37 0.413 -2.587 4.057 1.00 0.00 C ATOM 504 CG TRP A 37 1.766 -2.602 3.412 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.583 -3.683 3.246 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.459 -1.483 2.849 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.743 -3.304 2.614 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.691 -1.959 2.359 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.159 -0.125 2.710 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.619 -1.125 1.742 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.081 0.702 2.097 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.299 0.200 1.619 1.00 0.00 C ATOM 0 H TRP A 37 2.273 -1.369 5.550 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.534 -2.225 5.951 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.110 -3.511 3.809 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.172 -1.767 3.639 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.352 -4.689 3.565 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.517 -3.923 2.374 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.223 0.271 3.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.558 -1.510 1.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.859 1.753 1.984 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.999 0.872 1.144 1.00 0.00 H new ATOM 523 N ILE A 38 0.033 -4.471 6.824 1.00 0.00 N ATOM 524 CA ILE A 38 0.369 -5.735 7.469 1.00 0.00 C ATOM 525 C ILE A 38 0.007 -6.919 6.579 1.00 0.00 C ATOM 526 O ILE A 38 -1.073 -6.958 5.989 1.00 0.00 O ATOM 527 CB ILE A 38 -0.351 -5.885 8.822 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.113 -7.159 9.532 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.859 -5.904 8.621 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.394 -6.980 10.317 1.00 0.00 C ATOM 0 H ILE A 38 -0.952 -4.214 6.886 1.00 0.00 H new ATOM 0 HA ILE A 38 1.446 -5.727 7.639 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.099 -5.029 9.448 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.673 -7.496 10.207 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.257 -7.946 8.792 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.353 -6.011 9.587 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.175 -4.972 8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.130 -6.743 7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.663 -7.923 10.794 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.194 -6.673 9.643 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.249 -6.216 11.080 1.00 0.00 H new ATOM 542 N SER A 39 0.917 -7.884 6.489 1.00 0.00 N ATOM 543 CA SER A 39 0.695 -9.069 5.669 1.00 0.00 C ATOM 544 C SER A 39 1.181 -10.325 6.387 1.00 0.00 C ATOM 545 O SER A 39 2.230 -10.317 7.031 1.00 0.00 O ATOM 546 CB SER A 39 1.410 -8.927 4.324 1.00 0.00 C ATOM 547 OG SER A 39 2.781 -8.617 4.506 1.00 0.00 O ATOM 0 H SER A 39 1.814 -7.868 6.974 1.00 0.00 H new ATOM 0 HA SER A 39 -0.377 -9.163 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.315 -9.854 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.932 -8.144 3.735 1.00 0.00 H new ATOM 0 HG SER A 39 3.099 -8.084 3.748 1.00 0.00 H new ATOM 553 N ASP A 40 0.412 -11.401 6.270 1.00 0.00 N ATOM 554 CA ASP A 40 0.763 -12.665 6.906 1.00 0.00 C ATOM 555 C ASP A 40 1.367 -13.633 5.894 1.00 0.00 C ATOM 556 O ASP A 40 1.476 -14.832 6.154 1.00 0.00 O ATOM 557 CB ASP A 40 -0.470 -13.293 7.558 1.00 0.00 C ATOM 558 CG ASP A 40 -1.753 -12.937 6.833 1.00 0.00 C ATOM 559 OD1 ASP A 40 -2.153 -11.755 6.883 1.00 0.00 O ATOM 560 OD2 ASP A 40 -2.356 -13.839 6.216 1.00 0.00 O ATOM 0 H ASP A 40 -0.459 -11.423 5.740 1.00 0.00 H new ATOM 0 HA ASP A 40 1.507 -12.461 7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.355 -14.377 7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.538 -12.962 8.594 1.00 0.00 H new ATOM 565 N ASP A 41 1.758 -13.106 4.738 1.00 0.00 N ATOM 566 CA ASP A 41 2.351 -13.923 3.686 1.00 0.00 C ATOM 567 C ASP A 41 2.983 -13.047 2.609 1.00 0.00 C ATOM 568 O ASP A 41 2.307 -12.229 1.986 1.00 0.00 O ATOM 569 CB ASP A 41 1.294 -14.836 3.063 1.00 0.00 C ATOM 570 CG ASP A 41 -0.105 -14.260 3.170 1.00 0.00 C ATOM 571 OD1 ASP A 41 -0.315 -13.120 2.705 1.00 0.00 O ATOM 572 OD2 ASP A 41 -0.989 -14.950 3.719 1.00 0.00 O ATOM 0 H ASP A 41 1.675 -12.116 4.506 1.00 0.00 H new ATOM 0 HA ASP A 41 3.132 -14.537 4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.536 -15.003 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.322 -15.808 3.555 1.00 0.00 H new ATOM 577 N GLU A 42 4.283 -13.224 2.397 1.00 0.00 N ATOM 578 CA GLU A 42 5.007 -12.448 1.397 1.00 0.00 C ATOM 579 C GLU A 42 5.879 -13.353 0.533 1.00 0.00 C ATOM 580 O GLU A 42 6.085 -13.089 -0.652 1.00 0.00 O ATOM 581 CB GLU A 42 5.871 -11.382 2.073 1.00 0.00 C ATOM 582 CG GLU A 42 6.896 -11.953 3.039 1.00 0.00 C ATOM 583 CD GLU A 42 8.074 -11.022 3.256 1.00 0.00 C ATOM 584 OE1 GLU A 42 7.846 -9.861 3.654 1.00 0.00 O ATOM 585 OE2 GLU A 42 9.223 -11.455 3.029 1.00 0.00 O ATOM 0 H GLU A 42 4.857 -13.898 2.904 1.00 0.00 H new ATOM 0 HA GLU A 42 4.275 -11.958 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.388 -10.806 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.224 -10.689 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.415 -12.154 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.258 -12.908 2.657 1.00 0.00 H new ATOM 592 N PHE A 43 6.391 -14.422 1.134 1.00 0.00 N ATOM 593 CA PHE A 43 7.243 -15.366 0.421 1.00 0.00 C ATOM 594 C PHE A 43 6.776 -15.539 -1.021 1.00 0.00 C ATOM 595 O PHE A 43 7.589 -15.649 -1.939 1.00 0.00 O ATOM 596 CB PHE A 43 7.248 -16.721 1.133 1.00 0.00 C ATOM 597 CG PHE A 43 7.466 -16.618 2.616 1.00 0.00 C ATOM 598 CD1 PHE A 43 6.391 -16.485 3.480 1.00 0.00 C ATOM 599 CD2 PHE A 43 8.746 -16.654 3.145 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.589 -16.391 4.845 1.00 0.00 C ATOM 601 CE2 PHE A 43 8.949 -16.560 4.509 1.00 0.00 C ATOM 602 CZ PHE A 43 7.870 -16.427 5.360 1.00 0.00 C ATOM 0 H PHE A 43 6.230 -14.656 2.114 1.00 0.00 H new ATOM 0 HA PHE A 43 8.256 -14.965 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.299 -17.224 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.030 -17.346 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.387 -16.454 3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.594 -16.757 2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.743 -16.289 5.508 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.952 -16.591 4.909 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.027 -16.351 6.426 1.00 0.00 H new ATOM 612 N SER A 44 5.461 -15.562 -1.212 1.00 0.00 N ATOM 613 CA SER A 44 4.884 -15.725 -2.541 1.00 0.00 C ATOM 614 C SER A 44 4.938 -14.415 -3.321 1.00 0.00 C ATOM 615 O SER A 44 5.220 -14.404 -4.520 1.00 0.00 O ATOM 616 CB SER A 44 3.437 -16.211 -2.437 1.00 0.00 C ATOM 617 OG SER A 44 2.739 -15.517 -1.417 1.00 0.00 O ATOM 0 H SER A 44 4.775 -15.470 -0.463 1.00 0.00 H new ATOM 0 HA SER A 44 5.472 -16.471 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.932 -16.066 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.423 -17.281 -2.229 1.00 0.00 H new ATOM 0 HG SER A 44 1.816 -15.844 -1.371 1.00 0.00 H new ATOM 623 N ILE A 45 4.663 -13.312 -2.633 1.00 0.00 N ATOM 624 CA ILE A 45 4.681 -11.996 -3.260 1.00 0.00 C ATOM 625 C ILE A 45 6.072 -11.656 -3.784 1.00 0.00 C ATOM 626 O ILE A 45 7.057 -11.725 -3.050 1.00 0.00 O ATOM 627 CB ILE A 45 4.232 -10.899 -2.277 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.863 -11.241 -1.686 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.190 -9.548 -2.975 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.352 -10.208 -0.707 1.00 0.00 C ATOM 0 H ILE A 45 4.425 -13.303 -1.641 1.00 0.00 H new ATOM 0 HA ILE A 45 3.981 -12.034 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 45 4.955 -10.844 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.143 -11.348 -2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.924 -12.207 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.871 -8.783 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.183 -9.302 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.486 -9.590 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.377 -10.516 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.052 -10.117 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.258 -9.245 -1.210 1.00 0.00 H new ATOM 642 N SER A 46 6.143 -11.286 -5.059 1.00 0.00 N ATOM 643 CA SER A 46 7.414 -10.935 -5.683 1.00 0.00 C ATOM 644 C SER A 46 7.798 -9.494 -5.362 1.00 0.00 C ATOM 645 O SER A 46 8.967 -9.190 -5.125 1.00 0.00 O ATOM 646 CB SER A 46 7.331 -11.128 -7.199 1.00 0.00 C ATOM 647 OG SER A 46 7.153 -12.494 -7.530 1.00 0.00 O ATOM 0 H SER A 46 5.336 -11.222 -5.680 1.00 0.00 H new ATOM 0 HA SER A 46 8.183 -11.595 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.503 -10.543 -7.598 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.241 -10.753 -7.667 1.00 0.00 H new ATOM 0 HG SER A 46 7.101 -12.591 -8.504 1.00 0.00 H new ATOM 653 N SER A 47 6.805 -8.611 -5.356 1.00 0.00 N ATOM 654 CA SER A 47 7.038 -7.201 -5.068 1.00 0.00 C ATOM 655 C SER A 47 5.731 -6.495 -4.717 1.00 0.00 C ATOM 656 O SER A 47 4.653 -6.919 -5.132 1.00 0.00 O ATOM 657 CB SER A 47 7.695 -6.515 -6.267 1.00 0.00 C ATOM 658 OG SER A 47 6.908 -6.668 -7.436 1.00 0.00 O ATOM 0 H SER A 47 5.831 -8.847 -5.547 1.00 0.00 H new ATOM 0 HA SER A 47 7.708 -7.137 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.832 -5.455 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.686 -6.938 -6.434 1.00 0.00 H new ATOM 0 HG SER A 47 7.348 -6.219 -8.188 1.00 0.00 H new ATOM 664 N TYR A 48 5.837 -5.416 -3.950 1.00 0.00 N ATOM 665 CA TYR A 48 4.665 -4.651 -3.540 1.00 0.00 C ATOM 666 C TYR A 48 4.542 -3.365 -4.352 1.00 0.00 C ATOM 667 O TYR A 48 5.537 -2.828 -4.837 1.00 0.00 O ATOM 668 CB TYR A 48 4.742 -4.320 -2.049 1.00 0.00 C ATOM 669 CG TYR A 48 4.070 -5.347 -1.165 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.689 -5.501 -1.173 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.815 -6.162 -0.323 1.00 0.00 C ATOM 672 CE1 TYR A 48 2.070 -6.437 -0.367 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.205 -7.102 0.485 1.00 0.00 C ATOM 674 CZ TYR A 48 2.833 -7.235 0.460 1.00 0.00 C ATOM 675 OH TYR A 48 2.221 -8.169 1.264 1.00 0.00 O ATOM 0 H TYR A 48 6.723 -5.051 -3.599 1.00 0.00 H new ATOM 0 HA TYR A 48 3.781 -5.262 -3.725 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.789 -4.232 -1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.281 -3.347 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.089 -4.878 -1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.890 -6.059 -0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.995 -6.543 -0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.800 -7.729 1.133 1.00 0.00 H new ATOM 0 HH TYR A 48 2.900 -8.648 1.784 1.00 0.00 H new ATOM 685 N GLU A 49 3.313 -2.878 -4.495 1.00 0.00 N ATOM 686 CA GLU A 49 3.059 -1.656 -5.248 1.00 0.00 C ATOM 687 C GLU A 49 2.210 -0.683 -4.436 1.00 0.00 C ATOM 688 O GLU A 49 1.310 -1.091 -3.701 1.00 0.00 O ATOM 689 CB GLU A 49 2.359 -1.981 -6.569 1.00 0.00 C ATOM 690 CG GLU A 49 3.316 -2.174 -7.734 1.00 0.00 C ATOM 691 CD GLU A 49 3.756 -3.616 -7.894 1.00 0.00 C ATOM 692 OE1 GLU A 49 4.292 -4.185 -6.921 1.00 0.00 O ATOM 693 OE2 GLU A 49 3.564 -4.175 -8.995 1.00 0.00 O ATOM 0 H GLU A 49 2.479 -3.311 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 49 4.019 -1.184 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.766 -2.887 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.664 -1.176 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.835 -1.841 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.194 -1.544 -7.587 1.00 0.00 H new ATOM 700 N LEU A 50 2.504 0.606 -4.573 1.00 0.00 N ATOM 701 CA LEU A 50 1.768 1.639 -3.851 1.00 0.00 C ATOM 702 C LEU A 50 0.928 2.478 -4.809 1.00 0.00 C ATOM 703 O LEU A 50 1.377 2.827 -5.900 1.00 0.00 O ATOM 704 CB LEU A 50 2.736 2.539 -3.082 1.00 0.00 C ATOM 705 CG LEU A 50 2.122 3.390 -1.970 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.766 2.525 -0.770 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.074 4.504 -1.563 1.00 0.00 C ATOM 0 H LEU A 50 3.246 0.960 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 50 1.099 1.148 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.514 1.913 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.225 3.205 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 50 1.206 3.843 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.330 3.148 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.046 1.764 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.666 2.043 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.620 5.099 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.007 4.071 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.278 5.141 -2.424 1.00 0.00 H new ATOM 719 N GLN A 51 -0.292 2.800 -4.391 1.00 0.00 N ATOM 720 CA GLN A 51 -1.194 3.600 -5.211 1.00 0.00 C ATOM 721 C GLN A 51 -1.877 4.678 -4.377 1.00 0.00 C ATOM 722 O GLN A 51 -2.670 4.377 -3.484 1.00 0.00 O ATOM 723 CB GLN A 51 -2.246 2.706 -5.870 1.00 0.00 C ATOM 724 CG GLN A 51 -1.653 1.610 -6.742 1.00 0.00 C ATOM 725 CD GLN A 51 -2.703 0.880 -7.556 1.00 0.00 C ATOM 726 OE1 GLN A 51 -3.855 0.759 -7.139 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.310 0.389 -8.725 1.00 0.00 N ATOM 0 H GLN A 51 -0.678 2.519 -3.490 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.603 4.087 -5.987 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.860 2.249 -5.094 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.907 3.324 -6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.915 2.046 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.125 0.895 -6.111 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.345 0.513 -9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.973 -0.112 -9.317 1.00 0.00 H new ATOM 736 N TYR A 52 -1.564 5.934 -4.672 1.00 0.00 N ATOM 737 CA TYR A 52 -2.145 7.058 -3.947 1.00 0.00 C ATOM 738 C TYR A 52 -2.721 8.090 -4.912 1.00 0.00 C ATOM 739 O TYR A 52 -2.234 8.251 -6.032 1.00 0.00 O ATOM 740 CB TYR A 52 -1.093 7.713 -3.050 1.00 0.00 C ATOM 741 CG TYR A 52 0.122 8.206 -3.804 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.194 7.361 -4.063 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.197 9.518 -4.257 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.306 7.809 -4.750 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.304 9.973 -4.946 1.00 0.00 C ATOM 746 CZ TYR A 52 2.356 9.115 -5.190 1.00 0.00 C ATOM 747 OH TYR A 52 3.461 9.564 -5.876 1.00 0.00 O ATOM 0 H TYR A 52 -0.911 6.200 -5.409 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.955 6.676 -3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.548 8.551 -2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.775 6.996 -2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.158 6.337 -3.722 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.624 10.193 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.132 7.140 -4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.346 10.995 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 52 3.337 10.506 -6.116 1.00 0.00 H new ATOM 757 N THR A 53 -3.762 8.788 -4.469 1.00 0.00 N ATOM 758 CA THR A 53 -4.406 9.805 -5.291 1.00 0.00 C ATOM 759 C THR A 53 -5.108 10.847 -4.428 1.00 0.00 C ATOM 760 O THR A 53 -5.706 10.517 -3.404 1.00 0.00 O ATOM 761 CB THR A 53 -5.431 9.180 -6.257 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.888 10.164 -7.190 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.616 8.609 -5.492 1.00 0.00 C ATOM 0 H THR A 53 -4.177 8.667 -3.545 1.00 0.00 H new ATOM 0 HA THR A 53 -3.619 10.288 -5.870 1.00 0.00 H new ATOM 0 HB THR A 53 -4.942 8.369 -6.797 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.538 9.758 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.327 8.173 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.268 7.839 -4.803 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.104 9.405 -4.930 1.00 0.00 H new ATOM 771 N ILE A 54 -5.031 12.105 -4.849 1.00 0.00 N ATOM 772 CA ILE A 54 -5.661 13.195 -4.114 1.00 0.00 C ATOM 773 C ILE A 54 -7.172 13.003 -4.034 1.00 0.00 C ATOM 774 O ILE A 54 -7.862 12.996 -5.054 1.00 0.00 O ATOM 775 CB ILE A 54 -5.362 14.559 -4.764 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.882 14.912 -4.601 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.241 15.640 -4.154 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.392 15.937 -5.600 1.00 0.00 C ATOM 0 H ILE A 54 -4.539 12.394 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.241 13.181 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.586 14.495 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.716 15.291 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.287 14.004 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.018 16.598 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.290 15.391 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.046 15.706 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.335 16.139 -5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.526 15.553 -6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.962 16.859 -5.484 1.00 0.00 H new ATOM 790 N PHE A 55 -7.680 12.850 -2.816 1.00 0.00 N ATOM 791 CA PHE A 55 -9.110 12.659 -2.602 1.00 0.00 C ATOM 792 C PHE A 55 -9.788 13.980 -2.252 1.00 0.00 C ATOM 793 O PHE A 55 -9.537 14.560 -1.195 1.00 0.00 O ATOM 794 CB PHE A 55 -9.348 11.639 -1.487 1.00 0.00 C ATOM 795 CG PHE A 55 -10.777 11.575 -1.028 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.235 12.413 -0.024 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.663 10.678 -1.603 1.00 0.00 C ATOM 798 CE1 PHE A 55 -12.549 12.355 0.400 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.979 10.617 -1.183 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.422 11.457 -0.181 1.00 0.00 C ATOM 0 H PHE A 55 -7.123 12.855 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.544 12.282 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.042 10.653 -1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.712 11.887 -0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.557 13.119 0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.322 10.019 -2.388 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -12.893 13.012 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.660 9.913 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.450 11.412 0.148 1.00 0.00 H new ATOM 1050 N MET A 72 -1.282 7.496 -9.142 1.00 0.00 N ATOM 1051 CA MET A 72 0.171 7.373 -9.094 1.00 0.00 C ATOM 1052 C MET A 72 0.583 5.987 -8.606 1.00 0.00 C ATOM 1053 O MET A 72 -0.138 5.350 -7.838 1.00 0.00 O ATOM 1054 CB MET A 72 0.765 8.446 -8.179 1.00 0.00 C ATOM 1055 CG MET A 72 1.059 9.756 -8.891 1.00 0.00 C ATOM 1056 SD MET A 72 -0.436 10.588 -9.462 1.00 0.00 S ATOM 1057 CE MET A 72 -1.102 11.188 -7.911 1.00 0.00 C ATOM 0 HA MET A 72 0.556 7.513 -10.104 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.073 8.635 -7.358 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.687 8.066 -7.738 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.603 10.417 -8.217 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.711 9.563 -9.743 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.880 11.925 -8.110 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.527 10.355 -7.351 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.305 11.649 -7.327 1.00 0.00 H new ATOM 1067 N ILE A 73 1.745 5.528 -9.057 1.00 0.00 N ATOM 1068 CA ILE A 73 2.252 4.219 -8.666 1.00 0.00 C ATOM 1069 C ILE A 73 3.763 4.253 -8.462 1.00 0.00 C ATOM 1070 O ILE A 73 4.483 4.943 -9.184 1.00 0.00 O ATOM 1071 CB ILE A 73 1.912 3.146 -9.717 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.400 3.086 -9.945 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.441 1.788 -9.279 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.087 4.035 -11.017 1.00 0.00 C ATOM 0 H ILE A 73 2.353 6.043 -9.694 1.00 0.00 H new ATOM 0 HA ILE A 73 1.766 3.961 -7.725 1.00 0.00 H new ATOM 0 HB ILE A 73 2.393 3.415 -10.658 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.122 2.068 -10.219 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.110 3.315 -9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.193 1.041 -10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.523 1.840 -9.162 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.986 1.510 -8.328 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.167 3.939 -11.125 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.160 5.059 -10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.395 3.792 -11.964 1.00 0.00 H new ATOM 1086 N VAL A 74 4.239 3.502 -7.474 1.00 0.00 N ATOM 1087 CA VAL A 74 5.665 3.443 -7.176 1.00 0.00 C ATOM 1088 C VAL A 74 6.126 2.004 -6.976 1.00 0.00 C ATOM 1089 O VAL A 74 6.050 1.448 -5.880 1.00 0.00 O ATOM 1090 CB VAL A 74 6.009 4.260 -5.917 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.484 4.117 -5.573 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.639 5.723 -6.113 1.00 0.00 C ATOM 0 H VAL A 74 3.657 2.926 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 74 6.185 3.872 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 74 5.426 3.870 -5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.708 4.701 -4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.714 3.068 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.088 4.479 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.889 6.285 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.193 6.128 -6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.569 5.805 -6.306 1.00 0.00 H new ATOM 1102 N PRO A 75 6.616 1.384 -8.060 1.00 0.00 N ATOM 1103 CA PRO A 75 7.101 0.001 -8.029 1.00 0.00 C ATOM 1104 C PRO A 75 8.397 -0.142 -7.239 1.00 0.00 C ATOM 1105 O PRO A 75 8.918 0.834 -6.701 1.00 0.00 O ATOM 1106 CB PRO A 75 7.335 -0.326 -9.506 1.00 0.00 C ATOM 1107 CG PRO A 75 7.578 0.994 -10.152 1.00 0.00 C ATOM 1108 CD PRO A 75 6.736 1.986 -9.398 1.00 0.00 C ATOM 0 HA PRO A 75 6.394 -0.668 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.188 -0.992 -9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.471 -0.827 -9.942 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.633 1.263 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.302 0.969 -11.206 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.211 2.966 -9.356 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.761 2.123 -9.866 1.00 0.00 H new ATOM 1116 N ASN A 76 8.915 -1.365 -7.175 1.00 0.00 N ATOM 1117 CA ASN A 76 10.151 -1.634 -6.451 1.00 0.00 C ATOM 1118 C ASN A 76 9.980 -1.359 -4.960 1.00 0.00 C ATOM 1119 O ASN A 76 10.797 -0.670 -4.348 1.00 0.00 O ATOM 1120 CB ASN A 76 11.291 -0.781 -7.011 1.00 0.00 C ATOM 1121 CG ASN A 76 11.581 -1.087 -8.468 1.00 0.00 C ATOM 1122 OD1 ASN A 76 12.379 -1.971 -8.781 1.00 0.00 O ATOM 1123 ND2 ASN A 76 10.933 -0.356 -9.367 1.00 0.00 N ATOM 0 H ASN A 76 8.497 -2.185 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 76 10.397 -2.688 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.036 0.274 -6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.192 -0.951 -6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.088 -0.517 -10.362 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.280 0.366 -9.062 1.00 0.00 H new ATOM 1130 N ILE A 77 8.914 -1.902 -4.383 1.00 0.00 N ATOM 1131 CA ILE A 77 8.637 -1.717 -2.964 1.00 0.00 C ATOM 1132 C ILE A 77 8.846 -3.013 -2.189 1.00 0.00 C ATOM 1133 O ILE A 77 8.000 -3.908 -2.213 1.00 0.00 O ATOM 1134 CB ILE A 77 7.198 -1.219 -2.732 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.932 0.043 -3.555 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.962 -0.953 -1.253 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.559 0.634 -3.328 1.00 0.00 C ATOM 0 H ILE A 77 8.228 -2.474 -4.876 1.00 0.00 H new ATOM 0 HA ILE A 77 9.337 -0.964 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 77 6.504 -1.994 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.686 0.792 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.047 -0.192 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.941 -0.602 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.115 -1.873 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.661 -0.193 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.440 1.526 -3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.798 -0.098 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.447 0.901 -2.277 1.00 0.00 H new ATOM 1149 N LYS A 78 9.977 -3.108 -1.499 1.00 0.00 N ATOM 1150 CA LYS A 78 10.298 -4.294 -0.713 1.00 0.00 C ATOM 1151 C LYS A 78 10.296 -3.974 0.778 1.00 0.00 C ATOM 1152 O LYS A 78 11.193 -4.390 1.512 1.00 0.00 O ATOM 1153 CB LYS A 78 11.663 -4.850 -1.125 1.00 0.00 C ATOM 1154 CG LYS A 78 11.803 -5.072 -2.621 1.00 0.00 C ATOM 1155 CD LYS A 78 11.095 -6.341 -3.065 1.00 0.00 C ATOM 1156 CE LYS A 78 11.201 -6.541 -4.569 1.00 0.00 C ATOM 1157 NZ LYS A 78 10.764 -5.333 -5.322 1.00 0.00 N ATOM 0 H LYS A 78 10.688 -2.377 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 78 9.533 -5.046 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.441 -4.162 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.832 -5.795 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.390 -4.217 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.859 -5.133 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.528 -7.199 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.045 -6.293 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.232 -6.779 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.591 -7.394 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.656 -5.571 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.853 -5.000 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.477 -4.583 -5.218 1.00 0.00 H new ATOM 1171 N GLN A 79 9.284 -3.235 1.219 1.00 0.00 N ATOM 1172 CA GLN A 79 9.166 -2.861 2.624 1.00 0.00 C ATOM 1173 C GLN A 79 7.712 -2.912 3.081 1.00 0.00 C ATOM 1174 O GLN A 79 6.802 -3.070 2.269 1.00 0.00 O ATOM 1175 CB GLN A 79 9.736 -1.460 2.850 1.00 0.00 C ATOM 1176 CG GLN A 79 9.130 -0.403 1.941 1.00 0.00 C ATOM 1177 CD GLN A 79 9.968 0.858 1.873 1.00 0.00 C ATOM 1178 OE1 GLN A 79 11.071 0.915 2.418 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.449 1.879 1.200 1.00 0.00 N ATOM 0 H GLN A 79 8.534 -2.883 0.624 1.00 0.00 H new ATOM 0 HA GLN A 79 9.738 -3.577 3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.571 -1.173 3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.815 -1.486 2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 79 9.017 -0.814 0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.131 -0.152 2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.531 1.789 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.968 2.753 1.120 1.00 0.00 H new ATOM 1188 N ASN A 80 7.502 -2.777 4.387 1.00 0.00 N ATOM 1189 CA ASN A 80 6.158 -2.808 4.952 1.00 0.00 C ATOM 1190 C ASN A 80 5.625 -1.395 5.166 1.00 0.00 C ATOM 1191 O ASN A 80 4.590 -1.200 5.804 1.00 0.00 O ATOM 1192 CB ASN A 80 6.158 -3.572 6.278 1.00 0.00 C ATOM 1193 CG ASN A 80 6.350 -5.064 6.085 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.447 -5.589 6.272 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.279 -5.754 5.710 1.00 0.00 N ATOM 0 H ASN A 80 8.245 -2.645 5.073 1.00 0.00 H new ATOM 0 HA ASN A 80 5.505 -3.320 4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.952 -3.186 6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.216 -3.394 6.797 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.346 -6.761 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.389 -5.276 5.567 1.00 0.00 H new ATOM 1202 N HIS A 81 6.340 -0.411 4.629 1.00 0.00 N ATOM 1203 CA HIS A 81 5.939 0.985 4.761 1.00 0.00 C ATOM 1204 C HIS A 81 6.736 1.872 3.809 1.00 0.00 C ATOM 1205 O HIS A 81 7.965 1.807 3.768 1.00 0.00 O ATOM 1206 CB HIS A 81 6.132 1.460 6.201 1.00 0.00 C ATOM 1207 CG HIS A 81 7.429 1.022 6.807 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.511 0.085 7.815 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.702 1.398 6.541 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.778 -0.096 8.144 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.521 0.689 7.385 1.00 0.00 N ATOM 0 H HIS A 81 7.199 -0.555 4.099 1.00 0.00 H new ATOM 0 HA HIS A 81 4.883 1.059 4.501 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.078 2.548 6.226 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.310 1.086 6.812 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.015 2.121 5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.144 -0.771 8.904 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.538 0.758 7.420 1.00 0.00 H new ATOM 1220 N TYR A 82 6.030 2.697 3.045 1.00 0.00 N ATOM 1221 CA TYR A 82 6.672 3.594 2.092 1.00 0.00 C ATOM 1222 C TYR A 82 6.283 5.045 2.361 1.00 0.00 C ATOM 1223 O TYR A 82 5.105 5.366 2.520 1.00 0.00 O ATOM 1224 CB TYR A 82 6.290 3.209 0.661 1.00 0.00 C ATOM 1225 CG TYR A 82 6.965 4.056 -0.394 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.573 5.371 -0.613 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.994 3.541 -1.173 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.187 6.149 -1.576 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.614 4.312 -2.138 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.207 5.615 -2.336 1.00 0.00 C ATOM 1231 OH TYR A 82 8.821 6.385 -3.297 1.00 0.00 O ATOM 0 H TYR A 82 5.012 2.763 3.067 1.00 0.00 H new ATOM 0 HA TYR A 82 7.751 3.498 2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.547 2.163 0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.209 3.294 0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.775 5.792 -0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.315 2.521 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.870 7.169 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.413 3.896 -2.734 1.00 0.00 H new ATOM 0 HH TYR A 82 9.519 5.859 -3.741 1.00 0.00 H new ATOM 1241 N THR A 83 7.283 5.919 2.410 1.00 0.00 N ATOM 1242 CA THR A 83 7.048 7.336 2.660 1.00 0.00 C ATOM 1243 C THR A 83 6.850 8.099 1.356 1.00 0.00 C ATOM 1244 O THR A 83 7.801 8.328 0.608 1.00 0.00 O ATOM 1245 CB THR A 83 8.215 7.969 3.441 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.514 7.182 4.599 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.875 9.391 3.862 1.00 0.00 C ATOM 0 H THR A 83 8.264 5.671 2.280 1.00 0.00 H new ATOM 0 HA THR A 83 6.140 7.405 3.259 1.00 0.00 H new ATOM 0 HB THR A 83 9.087 7.998 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.258 7.590 5.089 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.714 9.818 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.677 9.995 2.977 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.991 9.380 4.499 1.00 0.00 H new ATOM 1255 N VAL A 84 5.609 8.492 1.088 1.00 0.00 N ATOM 1256 CA VAL A 84 5.287 9.232 -0.126 1.00 0.00 C ATOM 1257 C VAL A 84 5.678 10.700 0.005 1.00 0.00 C ATOM 1258 O VAL A 84 5.204 11.403 0.898 1.00 0.00 O ATOM 1259 CB VAL A 84 3.786 9.140 -0.458 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.470 9.917 -1.727 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.359 7.686 -0.594 1.00 0.00 C ATOM 0 H VAL A 84 4.810 8.310 1.695 1.00 0.00 H new ATOM 0 HA VAL A 84 5.859 8.777 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 84 3.223 9.586 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.405 9.840 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.737 10.965 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.041 9.504 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.296 7.640 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.928 7.213 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.547 7.162 0.343 1.00 0.00 H new ATOM 1271 N HIS A 85 6.545 11.158 -0.893 1.00 0.00 N ATOM 1272 CA HIS A 85 6.999 12.544 -0.878 1.00 0.00 C ATOM 1273 C HIS A 85 6.365 13.336 -2.018 1.00 0.00 C ATOM 1274 O HIS A 85 6.122 12.801 -3.098 1.00 0.00 O ATOM 1275 CB HIS A 85 8.523 12.604 -0.987 1.00 0.00 C ATOM 1276 CG HIS A 85 9.226 12.356 0.312 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.080 13.270 0.893 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.197 11.289 1.145 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.547 12.776 2.025 1.00 0.00 C ATOM 1280 NE2 HIS A 85 10.026 11.575 2.202 1.00 0.00 N ATOM 0 H HIS A 85 6.947 10.590 -1.639 1.00 0.00 H new ATOM 0 HA HIS A 85 6.691 12.991 0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.856 11.867 -1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.814 13.583 -1.367 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.628 10.382 1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.237 13.270 2.693 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.210 10.960 2.995 1.00 0.00 H new ATOM 1289 N GLY A 86 6.098 14.614 -1.768 1.00 0.00 N ATOM 1290 CA GLY A 86 5.494 15.458 -2.782 1.00 0.00 C ATOM 1291 C GLY A 86 3.980 15.469 -2.700 1.00 0.00 C ATOM 1292 O GLY A 86 3.295 15.281 -3.706 1.00 0.00 O ATOM 0 H GLY A 86 6.289 15.080 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.868 16.476 -2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.799 15.110 -3.769 1.00 0.00 H new ATOM 1296 N LEU A 87 3.456 15.687 -1.499 1.00 0.00 N ATOM 1297 CA LEU A 87 2.012 15.720 -1.289 1.00 0.00 C ATOM 1298 C LEU A 87 1.544 17.130 -0.947 1.00 0.00 C ATOM 1299 O LEU A 87 2.352 18.050 -0.827 1.00 0.00 O ATOM 1300 CB LEU A 87 1.618 14.753 -0.171 1.00 0.00 C ATOM 1301 CG LEU A 87 2.025 13.293 -0.371 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.876 12.515 0.928 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.195 12.655 -1.475 1.00 0.00 C ATOM 0 H LEU A 87 4.009 15.843 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 87 1.527 15.412 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.059 15.108 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.536 14.794 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 87 3.073 13.265 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.170 11.478 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.514 12.958 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.837 12.551 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.498 11.616 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.140 12.694 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.352 13.197 -2.408 1.00 0.00 H new ATOM 1315 N GLN A 88 0.234 17.291 -0.790 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.342 18.589 -0.460 1.00 0.00 C ATOM 1317 C GLN A 88 -0.759 18.643 1.006 1.00 0.00 C ATOM 1318 O GLN A 88 -1.358 17.702 1.526 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.547 18.879 -1.356 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.234 18.799 -2.842 1.00 0.00 C ATOM 1321 CD GLN A 88 -0.162 19.783 -3.267 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.078 20.785 -2.593 1.00 0.00 O ATOM 1323 NE2 GLN A 88 0.488 19.502 -4.389 1.00 0.00 N ATOM 0 H GLN A 88 -0.448 16.539 -0.886 1.00 0.00 H new ATOM 0 HA GLN A 88 0.420 19.350 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.342 18.171 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.929 19.874 -1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.911 17.787 -3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.143 18.990 -3.412 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.256 18.660 -4.916 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.220 20.128 -4.725 1.00 0.00 H new ATOM 1332 N SER A 89 -0.438 19.751 1.667 1.00 0.00 N ATOM 1333 CA SER A 89 -0.776 19.926 3.075 1.00 0.00 C ATOM 1334 C SER A 89 -2.269 20.185 3.247 1.00 0.00 C ATOM 1335 O SER A 89 -2.889 20.872 2.436 1.00 0.00 O ATOM 1336 CB SER A 89 0.027 21.082 3.674 1.00 0.00 C ATOM 1337 OG SER A 89 1.387 21.016 3.281 1.00 0.00 O ATOM 0 H SER A 89 0.055 20.541 1.250 1.00 0.00 H new ATOM 0 HA SER A 89 -0.522 19.006 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.402 22.031 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.042 21.052 4.761 1.00 0.00 H new ATOM 0 HG SER A 89 1.878 21.767 3.676 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.841 19.629 4.311 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.257 19.811 4.572 1.00 0.00 C ATOM 1345 C GLY A 90 -5.126 19.278 3.450 1.00 0.00 C ATOM 1346 O GLY A 90 -6.034 19.964 2.978 1.00 0.00 O ATOM 0 H GLY A 90 -2.349 19.056 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.520 19.307 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.464 20.872 4.715 1.00 0.00 H new ATOM 1350 N THR A 91 -4.849 18.051 3.020 1.00 0.00 N ATOM 1351 CA THR A 91 -5.610 17.428 1.945 1.00 0.00 C ATOM 1352 C THR A 91 -5.730 15.923 2.157 1.00 0.00 C ATOM 1353 O THR A 91 -4.789 15.274 2.615 1.00 0.00 O ATOM 1354 CB THR A 91 -4.962 17.691 0.572 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.776 19.098 0.380 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.823 17.130 -0.549 1.00 0.00 C ATOM 0 H THR A 91 -4.103 17.469 3.400 1.00 0.00 H new ATOM 0 HA THR A 91 -6.604 17.875 1.961 1.00 0.00 H new ATOM 0 HB THR A 91 -3.994 17.191 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.362 19.257 -0.494 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.345 17.328 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.938 16.054 -0.416 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.804 17.605 -0.527 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.892 15.374 1.821 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.135 13.945 1.975 1.00 0.00 C ATOM 1366 C ARG A 92 -6.382 13.147 0.914 1.00 0.00 C ATOM 1367 O ARG A 92 -6.324 13.544 -0.250 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.633 13.647 1.885 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.388 13.927 3.174 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.587 13.004 3.328 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.510 13.473 4.358 1.00 0.00 N ATOM 1372 CZ ARG A 92 -11.383 13.181 5.647 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -10.377 12.424 6.063 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -12.264 13.646 6.524 1.00 0.00 N ATOM 0 H ARG A 92 -7.680 15.897 1.440 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.770 13.645 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.066 14.245 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.771 12.601 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.718 13.800 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.722 14.964 3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.113 12.931 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.242 12.001 3.580 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.296 14.057 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.698 12.064 5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.282 12.201 7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.040 14.228 6.208 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.166 13.421 7.514 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.807 12.022 1.324 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.055 11.171 0.410 1.00 0.00 C ATOM 1390 C TYR A 93 -5.413 9.702 0.615 1.00 0.00 C ATOM 1391 O TYR A 93 -5.249 9.158 1.707 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.552 11.374 0.610 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.973 12.485 -0.236 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.951 13.796 0.225 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.450 12.225 -1.496 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.424 14.815 -0.544 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -1.919 13.238 -2.272 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.909 14.531 -1.792 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.382 15.542 -2.562 1.00 0.00 O ATOM 0 H TYR A 93 -5.847 11.678 2.283 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.320 11.452 -0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.360 11.591 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.034 10.444 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.353 14.022 1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.458 11.214 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.415 15.828 -0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.514 13.018 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.061 15.173 -3.411 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.903 9.066 -0.444 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.282 7.660 -0.382 1.00 0.00 C ATOM 1411 C ILE A 94 -5.149 6.763 -0.868 1.00 0.00 C ATOM 1412 O ILE A 94 -4.597 6.972 -1.948 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.541 7.380 -1.224 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.721 8.207 -0.709 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.876 5.896 -1.198 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.909 8.214 -1.645 1.00 0.00 C ATOM 0 H ILE A 94 -6.047 9.502 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.496 7.436 0.663 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.342 7.670 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.034 7.815 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.391 9.233 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.768 5.714 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.041 5.327 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.059 5.582 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.707 8.819 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.612 8.634 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.265 7.194 -1.789 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.808 5.762 -0.063 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.741 4.831 -0.411 1.00 0.00 C ATOM 1430 C PHE A 95 -4.287 3.416 -0.580 1.00 0.00 C ATOM 1431 O PHE A 95 -5.161 2.983 0.172 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.653 4.845 0.664 1.00 0.00 C ATOM 1433 CG PHE A 95 -1.899 6.142 0.737 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -0.786 6.357 -0.059 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -2.304 7.146 1.602 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -0.090 7.549 0.006 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -1.612 8.341 1.672 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.504 8.543 0.872 1.00 0.00 C ATOM 0 H PHE A 95 -5.255 5.575 0.835 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.309 5.150 -1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.109 4.644 1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.950 4.036 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.458 5.584 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.170 6.993 2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.777 7.704 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.937 9.115 2.351 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.038 9.476 0.923 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.766 2.702 -1.572 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.201 1.336 -1.839 1.00 0.00 C ATOM 1450 C ILE A 96 -3.016 0.439 -2.179 1.00 0.00 C ATOM 1451 O ILE A 96 -2.441 0.535 -3.263 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.217 1.285 -2.995 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.511 1.999 -2.598 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.502 -0.158 -3.386 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.298 2.524 -3.778 1.00 0.00 C ATOM 0 H ILE A 96 -3.043 3.046 -2.204 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.679 0.973 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.790 1.798 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.137 1.310 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.269 2.829 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.222 -0.178 -4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.577 -0.638 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.912 -0.693 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.202 3.018 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.689 3.238 -4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.571 1.695 -4.431 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.656 -0.436 -1.245 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.540 -1.354 -1.446 1.00 0.00 C ATOM 1469 C VAL A 97 -1.977 -2.584 -2.233 1.00 0.00 C ATOM 1470 O VAL A 97 -3.022 -3.173 -1.957 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.935 -1.804 -0.103 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.060 -2.934 -0.319 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.276 -0.630 0.604 1.00 0.00 C ATOM 0 H VAL A 97 -3.121 -0.529 -0.342 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.782 -0.814 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.739 -2.176 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.478 -3.239 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.447 -3.782 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.863 -2.592 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.146 -0.966 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.518 -0.226 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.019 0.145 0.793 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.168 -2.970 -3.214 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.468 -4.132 -4.042 1.00 0.00 C ATOM 1485 C LYS A 98 -0.326 -5.142 -3.996 1.00 0.00 C ATOM 1486 O LYS A 98 0.834 -4.790 -4.212 1.00 0.00 O ATOM 1487 CB LYS A 98 -1.726 -3.702 -5.487 1.00 0.00 C ATOM 1488 CG LYS A 98 -1.799 -4.863 -6.464 1.00 0.00 C ATOM 1489 CD LYS A 98 -1.370 -4.445 -7.860 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.513 -3.794 -8.623 1.00 0.00 C ATOM 1491 NZ LYS A 98 -3.344 -4.800 -9.342 1.00 0.00 N ATOM 0 H LYS A 98 -0.299 -2.494 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.366 -4.607 -3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.661 -3.143 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.934 -3.023 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.161 -5.675 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.818 -5.249 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.534 -3.749 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.015 -5.317 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.140 -3.234 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.110 -3.077 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.112 -4.317 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.751 -5.318 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.749 -5.469 -8.657 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.662 -6.397 -3.717 1.00 0.00 N ATOM 1506 CA ALA A 99 0.336 -7.457 -3.647 1.00 0.00 C ATOM 1507 C ALA A 99 0.369 -8.266 -4.940 1.00 0.00 C ATOM 1508 O ALA A 99 -0.567 -9.007 -5.243 1.00 0.00 O ATOM 1509 CB ALA A 99 0.057 -8.367 -2.460 1.00 0.00 C ATOM 0 H ALA A 99 -1.618 -6.704 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 99 1.314 -6.994 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.810 -9.154 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.091 -7.785 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.931 -8.815 -2.569 1.00 0.00 H new ATOM 1515 N ILE A 100 1.450 -8.118 -5.697 1.00 0.00 N ATOM 1516 CA ILE A 100 1.604 -8.835 -6.957 1.00 0.00 C ATOM 1517 C ILE A 100 2.511 -10.049 -6.791 1.00 0.00 C ATOM 1518 O ILE A 100 3.468 -10.021 -6.019 1.00 0.00 O ATOM 1519 CB ILE A 100 2.181 -7.924 -8.057 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.283 -6.702 -8.260 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.335 -8.697 -9.358 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.517 -5.604 -7.246 1.00 0.00 C ATOM 0 H ILE A 100 2.233 -7.508 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 100 0.609 -9.165 -7.255 1.00 0.00 H new ATOM 0 HB ILE A 100 3.166 -7.579 -7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.448 -6.302 -9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.240 -7.015 -8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.744 -8.040 -10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.010 -9.538 -9.204 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.361 -9.067 -9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.846 -4.770 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.324 -5.987 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.550 -5.263 -7.311 1.00 0.00 H new ATOM 1534 N ASN A 101 2.203 -11.115 -7.523 1.00 0.00 N ATOM 1535 CA ASN A 101 2.992 -12.340 -7.458 1.00 0.00 C ATOM 1536 C ASN A 101 2.867 -13.137 -8.753 1.00 0.00 C ATOM 1537 O ASN A 101 2.163 -12.730 -9.678 1.00 0.00 O ATOM 1538 CB ASN A 101 2.542 -13.198 -6.274 1.00 0.00 C ATOM 1539 CG ASN A 101 1.129 -13.721 -6.442 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.287 -13.077 -7.068 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.862 -14.895 -5.882 1.00 0.00 N ATOM 0 H ASN A 101 1.413 -11.155 -8.167 1.00 0.00 H new ATOM 0 HA ASN A 101 4.037 -12.063 -7.322 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.226 -14.039 -6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.602 -12.609 -5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.072 -15.297 -5.962 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.591 -15.394 -5.372 1.00 0.00 H new ATOM 1548 N GLN A 102 3.555 -14.273 -8.812 1.00 0.00 N ATOM 1549 CA GLN A 102 3.521 -15.126 -9.994 1.00 0.00 C ATOM 1550 C GLN A 102 2.085 -15.476 -10.371 1.00 0.00 C ATOM 1551 O GLN A 102 1.758 -15.611 -11.550 1.00 0.00 O ATOM 1552 CB GLN A 102 4.323 -16.405 -9.749 1.00 0.00 C ATOM 1553 CG GLN A 102 4.088 -17.017 -8.377 1.00 0.00 C ATOM 1554 CD GLN A 102 4.490 -18.477 -8.313 1.00 0.00 C ATOM 1555 OE1 GLN A 102 3.762 -19.354 -8.778 1.00 0.00 O ATOM 1556 NE2 GLN A 102 5.655 -18.746 -7.735 1.00 0.00 N ATOM 0 H GLN A 102 4.142 -14.624 -8.055 1.00 0.00 H new ATOM 0 HA GLN A 102 3.971 -14.577 -10.821 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.065 -17.138 -10.514 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.385 -16.186 -9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.652 -16.456 -7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.034 -16.923 -8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.227 -17.988 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.978 -19.711 -7.663 1.00 0.00 H new ATOM 1565 N ALA A 103 1.232 -15.623 -9.363 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.168 -15.956 -9.589 1.00 0.00 C ATOM 1567 C ALA A 103 -0.925 -14.772 -10.182 1.00 0.00 C ATOM 1568 O ALA A 103 -1.509 -14.874 -11.260 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.821 -16.404 -8.290 1.00 0.00 C ATOM 0 H ALA A 103 1.487 -15.517 -8.381 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.209 -16.776 -10.305 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.867 -16.650 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.304 -17.284 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.761 -15.600 -7.556 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.911 -13.650 -9.470 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.601 -12.463 -9.942 1.00 0.00 C ATOM 1577 C GLY A 104 -1.406 -11.275 -9.022 1.00 0.00 C ATOM 1578 O GLY A 104 -0.280 -10.951 -8.644 1.00 0.00 O ATOM 0 H GLY A 104 -0.434 -13.541 -8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.241 -12.209 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.666 -12.677 -10.033 1.00 0.00 H new ATOM 1582 N SER A 105 -2.506 -10.622 -8.660 1.00 0.00 N ATOM 1583 CA SER A 105 -2.451 -9.459 -7.782 1.00 0.00 C ATOM 1584 C SER A 105 -3.772 -9.275 -7.040 1.00 0.00 C ATOM 1585 O SER A 105 -4.833 -9.651 -7.538 1.00 0.00 O ATOM 1586 CB SER A 105 -2.126 -8.200 -8.588 1.00 0.00 C ATOM 1587 OG SER A 105 -3.005 -8.060 -9.691 1.00 0.00 O ATOM 0 H SER A 105 -3.446 -10.879 -8.961 1.00 0.00 H new ATOM 0 HA SER A 105 -1.662 -9.626 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.202 -7.323 -7.945 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.097 -8.247 -8.943 1.00 0.00 H new ATOM 0 HG SER A 105 -2.683 -7.343 -10.277 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.697 -8.693 -5.848 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.886 -8.460 -5.036 1.00 0.00 C ATOM 1595 C ARG A 106 -4.875 -7.052 -4.449 1.00 0.00 C ATOM 1596 O ARG A 106 -4.064 -6.736 -3.580 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.971 -9.492 -3.910 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.259 -9.414 -3.108 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.429 -10.015 -3.872 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.703 -9.776 -3.200 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.875 -9.775 -3.825 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.934 -10.001 -5.130 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.991 -9.549 -3.145 1.00 0.00 N ATOM 0 H ARG A 106 -2.826 -8.374 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.760 -8.561 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.879 -10.491 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.125 -9.353 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.132 -9.940 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.476 -8.373 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.463 -9.590 -4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.275 -11.088 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.692 -9.600 -2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.078 -10.176 -5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.835 -10.000 -5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.950 -9.376 -2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.890 -9.549 -3.626 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.782 -6.209 -4.932 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.877 -4.833 -4.457 1.00 0.00 C ATOM 1619 C ASN A 107 -6.669 -4.761 -3.155 1.00 0.00 C ATOM 1620 O ASN A 107 -7.733 -5.367 -3.029 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.537 -3.949 -5.518 1.00 0.00 C ATOM 1622 CG ASN A 107 -8.044 -4.108 -5.547 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.560 -5.194 -5.813 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.759 -3.023 -5.272 1.00 0.00 N ATOM 0 H ASN A 107 -6.462 -6.454 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.867 -4.470 -4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.288 -2.906 -5.324 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.129 -4.197 -6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.778 -3.069 -5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.289 -2.144 -5.057 1.00 0.00 H new ATOM 1631 N SER A 108 -6.143 -4.014 -2.189 1.00 0.00 N ATOM 1632 CA SER A 108 -6.799 -3.865 -0.895 1.00 0.00 C ATOM 1633 C SER A 108 -7.789 -2.704 -0.919 1.00 0.00 C ATOM 1634 O SER A 108 -7.938 -2.023 -1.933 1.00 0.00 O ATOM 1635 CB SER A 108 -5.759 -3.641 0.204 1.00 0.00 C ATOM 1636 OG SER A 108 -6.334 -3.798 1.490 1.00 0.00 O ATOM 0 H SER A 108 -5.265 -3.503 -2.278 1.00 0.00 H new ATOM 0 HA SER A 108 -7.347 -4.783 -0.685 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.937 -4.347 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.336 -2.641 0.111 1.00 0.00 H new ATOM 0 HG SER A 108 -5.627 -3.974 2.145 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.462 -2.486 0.206 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.439 -1.409 0.315 1.00 0.00 C ATOM 1644 C GLU A 109 -8.746 -0.051 0.386 1.00 0.00 C ATOM 1645 O GLU A 109 -7.626 0.077 0.882 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.318 -1.610 1.551 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.422 -2.635 1.352 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.601 -2.409 2.278 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -12.998 -1.240 2.461 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.127 -3.404 2.821 1.00 0.00 O ATOM 0 H GLU A 109 -8.349 -3.041 1.055 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.067 -1.432 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.691 -1.922 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.766 -0.655 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.765 -2.598 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.020 -3.634 1.519 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.425 0.987 -0.123 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.895 2.354 -0.130 1.00 0.00 C ATOM 1659 C PRO A 110 -8.828 2.956 1.270 1.00 0.00 C ATOM 1660 O PRO A 110 -9.787 2.875 2.039 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.899 3.120 -0.994 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.168 2.348 -0.875 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.765 0.907 -0.730 1.00 0.00 C ATOM 0 HA PRO A 110 -7.873 2.393 -0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.024 4.144 -0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.566 3.178 -2.030 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.747 2.680 -0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.796 2.491 -1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.461 0.357 -0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.740 0.398 -1.693 1.00 0.00 H new ATOM 1671 N THR A 111 -7.691 3.562 1.594 1.00 0.00 N ATOM 1672 CA THR A 111 -7.499 4.178 2.901 1.00 0.00 C ATOM 1673 C THR A 111 -7.205 5.668 2.769 1.00 0.00 C ATOM 1674 O THR A 111 -6.133 6.061 2.307 1.00 0.00 O ATOM 1675 CB THR A 111 -6.349 3.507 3.676 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.608 2.106 3.819 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.179 4.139 5.049 1.00 0.00 C ATOM 0 H THR A 111 -6.889 3.640 0.969 1.00 0.00 H new ATOM 0 HA THR A 111 -8.428 4.041 3.454 1.00 0.00 H new ATOM 0 HB THR A 111 -5.428 3.651 3.112 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.493 1.846 4.757 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.361 3.648 5.577 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.953 5.199 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.100 4.023 5.620 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.162 6.494 3.178 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.006 7.942 3.105 1.00 0.00 C ATOM 1687 C ARG A 112 -7.340 8.481 4.367 1.00 0.00 C ATOM 1688 O ARG A 112 -7.657 8.056 5.479 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.365 8.614 2.905 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.533 7.795 3.430 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.858 8.505 3.205 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.803 8.258 4.290 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.819 9.064 4.578 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -14.020 10.163 3.864 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.636 8.771 5.582 1.00 0.00 N ATOM 0 H ARG A 112 -9.054 6.185 3.564 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.367 8.171 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.358 9.583 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.514 8.804 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.550 6.825 2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -10.397 7.606 4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.684 9.577 3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.293 8.171 2.263 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.676 7.420 4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.394 10.391 3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.801 10.780 4.087 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.484 7.926 6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.416 9.390 5.802 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.417 9.419 4.189 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.706 10.017 5.313 1.00 0.00 C ATOM 1711 C LEU A 113 -5.648 11.535 5.176 1.00 0.00 C ATOM 1712 O LEU A 113 -5.723 12.073 4.071 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.289 9.448 5.407 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.183 7.926 5.505 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.746 7.476 5.294 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.703 7.440 6.851 1.00 0.00 C ATOM 0 H LEU A 113 -6.143 9.782 3.276 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.250 9.774 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.728 9.776 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.801 9.883 6.279 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.799 7.487 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.690 6.390 5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.407 7.791 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.109 7.924 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.620 6.354 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.114 7.888 7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.748 7.730 6.963 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.511 12.222 6.305 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.439 13.678 6.312 1.00 0.00 C ATOM 1730 C LYS A 114 -4.066 14.153 6.776 1.00 0.00 C ATOM 1731 O LYS A 114 -3.602 13.786 7.856 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.525 14.259 7.221 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.892 14.335 6.563 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.801 15.319 7.280 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.415 16.758 6.977 1.00 0.00 C ATOM 1736 NZ LYS A 114 -9.438 17.722 7.467 1.00 0.00 N ATOM 0 H LYS A 114 -5.448 11.793 7.228 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.600 14.029 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.598 13.649 8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.227 15.259 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.779 14.635 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.352 13.347 6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.834 15.147 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.750 15.146 8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.454 16.981 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.286 16.881 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.138 18.692 7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.349 17.525 7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.543 17.623 8.497 1.00 0.00 H new ATOM 1750 N THR A 115 -3.418 14.972 5.952 1.00 0.00 N ATOM 1751 CA THR A 115 -2.098 15.497 6.278 1.00 0.00 C ATOM 1752 C THR A 115 -2.197 16.672 7.245 1.00 0.00 C ATOM 1753 O THR A 115 -3.258 17.275 7.396 1.00 0.00 O ATOM 1754 CB THR A 115 -1.346 15.949 5.013 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.222 16.697 4.162 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.793 14.752 4.254 1.00 0.00 C ATOM 0 H THR A 115 -3.787 15.286 5.054 1.00 0.00 H new ATOM 0 HA THR A 115 -1.543 14.687 6.751 1.00 0.00 H new ATOM 0 HB THR A 115 -0.512 16.581 5.320 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.184 16.334 3.253 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.266 15.097 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.103 14.202 4.894 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.613 14.098 3.959 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.083 16.991 7.896 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.045 18.095 8.848 1.00 0.00 C ATOM 1766 C ASN A 116 -1.241 19.432 8.140 1.00 0.00 C ATOM 1767 O ASN A 116 -0.530 19.751 7.187 1.00 0.00 O ATOM 1768 CB ASN A 116 0.284 18.097 9.606 1.00 0.00 C ATOM 1769 CG ASN A 116 0.416 16.913 10.544 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.569 16.450 11.120 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.638 16.417 10.703 1.00 0.00 N ATOM 0 H ASN A 116 -0.196 16.501 7.782 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.861 17.957 9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.107 18.084 8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.372 19.021 10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 116 1.789 15.621 11.322 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.426 16.832 10.206 1.00 0.00 H new