USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 648 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 76 THR OG1 : rot 180:sc= 0.0126 USER MOD Set 1.2: A 79 ASN : amide:sc=-0.00862 K(o=0.004,f=-1.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0437 K(o=-0.044,f=-0.56) USER MOD Single : A 26 ASN : amide:sc= -2.76! K(o=-2.8!,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 141:sc=-0.000252 (180deg=-2.35) USER MOD Single : A 38 TYR OH : rot 135:sc= 0.628 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.41) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -160:sc= 0 USER MOD Single : A 56 MET CE :methyl 158:sc= -0.177 (180deg=-1.15) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.66) USER MOD Single : A 68 GLN : amide:sc= -5.61! C(o=-5.6!,f=-2.6!) USER MOD Single : A 70 GLN : amide:sc= 0.0768 X(o=0.077,f=-0.24) USER MOD Single : A 74 HIS : no HD1:sc= -0.669 K(o=-0.67,f=-0.086) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -36:sc= -3.28 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -150:sc= -5.79! USER MOD Single : A 97 THR OG1 : rot -96:sc= -0.398 USER MOD ----------------------------------------------------------------- ATOM 190 N PRO A 15 -2.276 16.255 -7.766 1.00 0.00 N ATOM 191 CA PRO A 15 -3.495 15.574 -7.364 1.00 0.00 C ATOM 192 C PRO A 15 -3.802 14.402 -8.299 1.00 0.00 C ATOM 193 O PRO A 15 -3.769 14.552 -9.519 1.00 0.00 O ATOM 194 CB PRO A 15 -4.570 16.647 -7.383 1.00 0.00 C ATOM 195 CG PRO A 15 -4.017 17.776 -8.238 1.00 0.00 C ATOM 196 CD PRO A 15 -2.528 17.535 -8.421 1.00 0.00 C ATOM 0 HA PRO A 15 -3.419 15.124 -6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.500 16.261 -7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.793 16.994 -6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.521 17.805 -9.204 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.192 18.739 -7.758 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.260 17.499 -9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.939 18.333 -7.969 1.00 0.00 H new ATOM 204 N VAL A 16 -4.095 13.262 -7.691 1.00 0.00 N ATOM 205 CA VAL A 16 -4.408 12.066 -8.454 1.00 0.00 C ATOM 206 C VAL A 16 -5.382 12.424 -9.578 1.00 0.00 C ATOM 207 O VAL A 16 -6.061 13.448 -9.513 1.00 0.00 O ATOM 208 CB VAL A 16 -4.943 10.976 -7.522 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.809 10.333 -6.722 1.00 0.00 C ATOM 210 CG2 VAL A 16 -6.024 11.532 -6.593 1.00 0.00 C ATOM 0 H VAL A 16 -4.122 13.141 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.509 11.663 -8.920 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.398 10.201 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.217 9.562 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.089 9.884 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.312 11.094 -6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.387 10.738 -5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.605 12.335 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.851 11.920 -7.188 1.00 0.00 H new ATOM 220 N THR A 17 -5.421 11.560 -10.581 1.00 0.00 N ATOM 221 CA THR A 17 -6.301 11.772 -11.718 1.00 0.00 C ATOM 222 C THR A 17 -7.033 10.477 -12.074 1.00 0.00 C ATOM 223 O THR A 17 -6.706 9.411 -11.554 1.00 0.00 O ATOM 224 CB THR A 17 -5.462 12.331 -12.868 1.00 0.00 C ATOM 225 OG1 THR A 17 -4.450 11.348 -13.070 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.685 13.588 -12.469 1.00 0.00 C ATOM 0 H THR A 17 -4.857 10.711 -10.630 1.00 0.00 H new ATOM 0 HA THR A 17 -7.081 12.496 -11.484 1.00 0.00 H new ATOM 0 HB THR A 17 -6.111 12.558 -13.713 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.861 11.630 -13.801 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.106 13.944 -13.321 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.384 14.364 -12.156 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.011 13.353 -11.645 1.00 0.00 H new ATOM 234 N GLY A 18 -8.011 10.611 -12.958 1.00 0.00 N ATOM 235 CA GLY A 18 -8.792 9.465 -13.390 1.00 0.00 C ATOM 236 C GLY A 18 -7.888 8.271 -13.703 1.00 0.00 C ATOM 237 O GLY A 18 -8.316 7.122 -13.608 1.00 0.00 O ATOM 0 H GLY A 18 -8.280 11.496 -13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.504 9.192 -12.612 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.372 9.728 -14.275 1.00 0.00 H new ATOM 241 N GLU A 19 -6.654 8.584 -14.069 1.00 0.00 N ATOM 242 CA GLU A 19 -5.685 7.551 -14.396 1.00 0.00 C ATOM 243 C GLU A 19 -5.209 6.848 -13.123 1.00 0.00 C ATOM 244 O GLU A 19 -5.123 5.622 -13.083 1.00 0.00 O ATOM 245 CB GLU A 19 -4.505 8.134 -15.175 1.00 0.00 C ATOM 246 CG GLU A 19 -3.594 7.023 -15.702 1.00 0.00 C ATOM 247 CD GLU A 19 -2.329 7.606 -16.336 1.00 0.00 C ATOM 248 OE1 GLU A 19 -1.499 8.135 -15.565 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.220 7.509 -17.577 1.00 0.00 O ATOM 0 H GLU A 19 -6.302 9.538 -14.146 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.170 6.813 -15.035 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.874 8.732 -16.008 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.934 8.803 -14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.321 6.354 -14.886 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.132 6.425 -16.438 1.00 0.00 H new ATOM 256 N GLN A 20 -4.912 7.655 -12.115 1.00 0.00 N ATOM 257 CA GLN A 20 -4.447 7.126 -10.845 1.00 0.00 C ATOM 258 C GLN A 20 -5.621 6.557 -10.045 1.00 0.00 C ATOM 259 O GLN A 20 -5.521 5.470 -9.478 1.00 0.00 O ATOM 260 CB GLN A 20 -3.705 8.197 -10.043 1.00 0.00 C ATOM 261 CG GLN A 20 -2.477 8.700 -10.805 1.00 0.00 C ATOM 262 CD GLN A 20 -1.444 9.296 -9.847 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.136 8.745 -8.803 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.927 10.451 -10.258 1.00 0.00 N ATOM 0 H GLN A 20 -4.985 8.672 -12.153 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.744 6.318 -11.046 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.376 9.031 -9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.398 7.788 -9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.029 7.878 -11.363 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.779 9.452 -11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.229 10.859 -11.143 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.229 10.929 -9.688 1.00 0.00 H new ATOM 273 N ILE A 21 -6.706 7.317 -10.025 1.00 0.00 N ATOM 274 CA ILE A 21 -7.897 6.902 -9.305 1.00 0.00 C ATOM 275 C ILE A 21 -8.192 5.434 -9.618 1.00 0.00 C ATOM 276 O ILE A 21 -8.030 4.568 -8.759 1.00 0.00 O ATOM 277 CB ILE A 21 -9.064 7.843 -9.612 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.860 9.205 -8.946 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.399 7.207 -9.219 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.188 9.954 -8.812 1.00 0.00 C ATOM 0 H ILE A 21 -6.785 8.218 -10.496 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.735 6.972 -8.229 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.092 8.012 -10.688 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.414 9.069 -7.961 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.160 9.800 -9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.212 7.896 -9.448 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.540 6.282 -9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.398 6.989 -8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.015 10.919 -8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.619 10.110 -9.801 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.877 9.367 -8.204 1.00 0.00 H new ATOM 292 N GLU A 22 -8.620 5.199 -10.849 1.00 0.00 N ATOM 293 CA GLU A 22 -8.939 3.850 -11.286 1.00 0.00 C ATOM 294 C GLU A 22 -7.949 2.850 -10.685 1.00 0.00 C ATOM 295 O GLU A 22 -8.351 1.810 -10.165 1.00 0.00 O ATOM 296 CB GLU A 22 -8.953 3.758 -12.813 1.00 0.00 C ATOM 297 CG GLU A 22 -7.672 4.344 -13.410 1.00 0.00 C ATOM 298 CD GLU A 22 -6.702 3.235 -13.822 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.904 2.098 -13.344 1.00 0.00 O ATOM 300 OE2 GLU A 22 -5.780 3.549 -14.605 1.00 0.00 O ATOM 0 H GLU A 22 -8.754 5.920 -11.558 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.939 3.600 -10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.057 2.716 -13.117 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.819 4.292 -13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.918 4.957 -14.277 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.193 4.999 -12.682 1.00 0.00 H new ATOM 307 N VAL A 23 -6.675 3.199 -10.777 1.00 0.00 N ATOM 308 CA VAL A 23 -5.625 2.345 -10.249 1.00 0.00 C ATOM 309 C VAL A 23 -5.792 2.215 -8.734 1.00 0.00 C ATOM 310 O VAL A 23 -5.914 1.108 -8.212 1.00 0.00 O ATOM 311 CB VAL A 23 -4.253 2.889 -10.655 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.179 2.474 -9.648 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.882 2.441 -12.070 1.00 0.00 C ATOM 0 H VAL A 23 -6.346 4.062 -11.210 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.700 1.343 -10.671 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.310 3.977 -10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.214 2.873 -9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.433 2.866 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.124 1.386 -9.602 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.903 2.841 -12.333 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.852 1.352 -12.111 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.627 2.810 -12.775 1.00 0.00 H new ATOM 323 N PHE A 24 -5.793 3.362 -8.071 1.00 0.00 N ATOM 324 CA PHE A 24 -5.943 3.390 -6.626 1.00 0.00 C ATOM 325 C PHE A 24 -7.146 2.555 -6.183 1.00 0.00 C ATOM 326 O PHE A 24 -7.025 1.702 -5.304 1.00 0.00 O ATOM 327 CB PHE A 24 -6.178 4.849 -6.229 1.00 0.00 C ATOM 328 CG PHE A 24 -5.315 5.322 -5.057 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.621 4.937 -3.789 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.242 6.127 -5.284 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.821 5.375 -2.701 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.442 6.565 -4.196 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.748 6.180 -2.928 1.00 0.00 C ATOM 0 H PHE A 24 -5.692 4.278 -8.508 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.053 2.977 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -5.982 5.486 -7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.229 4.979 -5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.473 4.298 -3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.999 6.433 -6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.064 5.069 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.590 7.204 -4.375 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.139 6.513 -2.101 1.00 0.00 H new ATOM 343 N ALA A 25 -8.280 2.828 -6.812 1.00 0.00 N ATOM 344 CA ALA A 25 -9.504 2.112 -6.495 1.00 0.00 C ATOM 345 C ALA A 25 -9.187 0.626 -6.311 1.00 0.00 C ATOM 346 O ALA A 25 -9.306 0.094 -5.209 1.00 0.00 O ATOM 347 CB ALA A 25 -10.539 2.356 -7.595 1.00 0.00 C ATOM 0 H ALA A 25 -8.377 3.536 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.931 2.477 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.457 1.819 -7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.751 3.423 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.148 2.001 -8.548 1.00 0.00 H new ATOM 353 N ASN A 26 -8.791 -0.002 -7.409 1.00 0.00 N ATOM 354 CA ASN A 26 -8.456 -1.415 -7.383 1.00 0.00 C ATOM 355 C ASN A 26 -7.618 -1.714 -6.139 1.00 0.00 C ATOM 356 O ASN A 26 -7.917 -2.646 -5.393 1.00 0.00 O ATOM 357 CB ASN A 26 -7.635 -1.810 -8.612 1.00 0.00 C ATOM 358 CG ASN A 26 -8.370 -1.443 -9.903 1.00 0.00 C ATOM 359 OD1 ASN A 26 -9.446 -1.936 -10.197 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.730 -0.552 -10.655 1.00 0.00 N ATOM 0 H ASN A 26 -8.695 0.442 -8.322 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.387 -1.981 -7.374 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.668 -1.308 -8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.438 -2.882 -8.593 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.138 -0.242 -11.537 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.831 -0.179 -10.350 1.00 0.00 H new ATOM 367 N LYS A 27 -6.584 -0.906 -5.953 1.00 0.00 N ATOM 368 CA LYS A 27 -5.700 -1.072 -4.811 1.00 0.00 C ATOM 369 C LYS A 27 -6.516 -0.971 -3.521 1.00 0.00 C ATOM 370 O LYS A 27 -6.383 -1.810 -2.631 1.00 0.00 O ATOM 371 CB LYS A 27 -4.539 -0.078 -4.884 1.00 0.00 C ATOM 372 CG LYS A 27 -3.770 -0.229 -6.198 1.00 0.00 C ATOM 373 CD LYS A 27 -2.753 0.901 -6.371 1.00 0.00 C ATOM 374 CE LYS A 27 -1.326 0.352 -6.419 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.984 -0.083 -7.792 1.00 0.00 N ATOM 0 H LYS A 27 -6.339 -0.135 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.243 -2.062 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.920 0.939 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.864 -0.239 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.257 -1.191 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.469 -0.226 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.966 1.450 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.847 1.609 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.624 1.118 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.230 -0.488 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.012 -0.453 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.643 -0.829 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.056 0.727 -8.441 1.00 0.00 H new ATOM 389 N LEU A 28 -7.343 0.062 -3.461 1.00 0.00 N ATOM 390 CA LEU A 28 -8.181 0.283 -2.294 1.00 0.00 C ATOM 391 C LEU A 28 -8.968 -0.992 -1.988 1.00 0.00 C ATOM 392 O LEU A 28 -8.749 -1.629 -0.959 1.00 0.00 O ATOM 393 CB LEU A 28 -9.062 1.517 -2.494 1.00 0.00 C ATOM 394 CG LEU A 28 -9.795 2.027 -1.250 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.912 1.906 -0.006 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.300 3.456 -1.459 1.00 0.00 C ATOM 0 H LEU A 28 -7.451 0.755 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.567 0.496 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.440 2.324 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.803 1.290 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.670 1.398 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.456 2.275 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.644 0.861 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.006 2.496 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.817 3.794 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.455 4.114 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.988 3.479 -2.304 1.00 0.00 H new ATOM 408 N GLY A 29 -9.869 -1.327 -2.900 1.00 0.00 N ATOM 409 CA GLY A 29 -10.690 -2.515 -2.741 1.00 0.00 C ATOM 410 C GLY A 29 -11.804 -2.278 -1.719 1.00 0.00 C ATOM 411 O GLY A 29 -12.550 -1.305 -1.822 1.00 0.00 O ATOM 0 H GLY A 29 -10.048 -0.796 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.125 -2.792 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.068 -3.351 -2.420 1.00 0.00 H new ATOM 415 N GLU A 30 -11.882 -3.184 -0.755 1.00 0.00 N ATOM 416 CA GLU A 30 -12.892 -3.086 0.285 1.00 0.00 C ATOM 417 C GLU A 30 -12.430 -2.129 1.385 1.00 0.00 C ATOM 418 O GLU A 30 -13.177 -1.845 2.320 1.00 0.00 O ATOM 419 CB GLU A 30 -13.223 -4.465 0.860 1.00 0.00 C ATOM 420 CG GLU A 30 -12.008 -5.070 1.566 1.00 0.00 C ATOM 421 CD GLU A 30 -11.819 -6.536 1.172 1.00 0.00 C ATOM 422 OE1 GLU A 30 -11.220 -6.762 0.099 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.277 -7.397 1.954 1.00 0.00 O ATOM 0 H GLU A 30 -11.262 -3.990 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.804 -2.686 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.052 -4.381 1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.550 -5.128 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.114 -4.502 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.135 -4.993 2.646 1.00 0.00 H new ATOM 430 N GLN A 31 -11.200 -1.658 1.238 1.00 0.00 N ATOM 431 CA GLN A 31 -10.629 -0.739 2.208 1.00 0.00 C ATOM 432 C GLN A 31 -11.176 0.672 1.988 1.00 0.00 C ATOM 433 O GLN A 31 -10.825 1.599 2.717 1.00 0.00 O ATOM 434 CB GLN A 31 -9.101 -0.752 2.142 1.00 0.00 C ATOM 435 CG GLN A 31 -8.522 -1.846 3.040 1.00 0.00 C ATOM 436 CD GLN A 31 -7.720 -2.860 2.222 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.778 -2.899 1.004 1.00 0.00 O ATOM 438 NE2 GLN A 31 -6.969 -3.676 2.957 1.00 0.00 N ATOM 0 H GLN A 31 -10.583 -1.896 0.461 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.919 -1.068 3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.779 -0.913 1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.712 0.219 2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.881 -1.397 3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.330 -2.355 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.966 -3.590 3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.396 -4.388 2.504 1.00 0.00 H new ATOM 447 N TRP A 32 -12.027 0.792 0.979 1.00 0.00 N ATOM 448 CA TRP A 32 -12.627 2.075 0.654 1.00 0.00 C ATOM 449 C TRP A 32 -13.449 2.532 1.860 1.00 0.00 C ATOM 450 O TRP A 32 -13.538 3.727 2.138 1.00 0.00 O ATOM 451 CB TRP A 32 -13.450 1.985 -0.632 1.00 0.00 C ATOM 452 CG TRP A 32 -14.825 1.340 -0.447 1.00 0.00 C ATOM 453 CD1 TRP A 32 -15.173 0.064 -0.664 1.00 0.00 C ATOM 454 CD2 TRP A 32 -16.029 1.995 0.005 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.508 -0.150 -0.386 1.00 0.00 N ATOM 456 CE2 TRP A 32 -17.045 1.062 0.034 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.252 3.332 0.377 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.353 1.365 0.428 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.565 3.619 0.769 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.599 2.691 0.803 1.00 0.00 C ATOM 0 H TRP A 32 -12.315 0.022 0.376 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.858 2.821 0.455 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.582 2.988 -1.038 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.889 1.414 -1.371 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.494 -0.700 -1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -17.009 -1.034 -0.473 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.472 4.079 0.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -19.131 0.616 0.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.790 4.633 1.066 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.588 2.991 1.117 1.00 0.00 H new ATOM 471 N LYS A 33 -14.030 1.557 2.544 1.00 0.00 N ATOM 472 CA LYS A 33 -14.842 1.845 3.714 1.00 0.00 C ATOM 473 C LYS A 33 -13.928 2.116 4.910 1.00 0.00 C ATOM 474 O LYS A 33 -14.376 2.626 5.936 1.00 0.00 O ATOM 475 CB LYS A 33 -15.852 0.721 3.954 1.00 0.00 C ATOM 476 CG LYS A 33 -16.870 1.118 5.026 1.00 0.00 C ATOM 477 CD LYS A 33 -18.283 1.179 4.444 1.00 0.00 C ATOM 478 CE LYS A 33 -19.331 0.871 5.515 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.653 1.402 5.115 1.00 0.00 N ATOM 0 H LYS A 33 -13.954 0.567 2.310 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.434 2.746 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.370 0.488 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.328 -0.184 4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.841 0.399 5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.603 2.088 5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.465 2.169 4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.374 0.465 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.397 -0.206 5.669 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.028 1.311 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.395 0.726 5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.821 2.311 5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.674 1.542 4.085 1.00 0.00 H new ATOM 493 N ILE A 34 -12.662 1.762 4.739 1.00 0.00 N ATOM 494 CA ILE A 34 -11.681 1.961 5.792 1.00 0.00 C ATOM 495 C ILE A 34 -11.052 3.347 5.642 1.00 0.00 C ATOM 496 O ILE A 34 -10.600 3.937 6.622 1.00 0.00 O ATOM 497 CB ILE A 34 -10.662 0.820 5.797 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.352 -0.532 5.989 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.573 1.061 6.844 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.399 -1.685 5.671 1.00 0.00 C ATOM 0 H ILE A 34 -12.294 1.339 3.887 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.161 1.933 6.770 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.173 0.796 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.706 -0.621 7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.228 -0.592 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.862 0.235 6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.053 1.992 6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.027 1.128 7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.915 -2.634 5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.066 -1.607 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.535 -1.637 6.334 1.00 0.00 H new ATOM 512 N LEU A 35 -11.042 3.827 4.407 1.00 0.00 N ATOM 513 CA LEU A 35 -10.476 5.133 4.116 1.00 0.00 C ATOM 514 C LEU A 35 -11.594 6.177 4.100 1.00 0.00 C ATOM 515 O LEU A 35 -11.331 7.375 4.190 1.00 0.00 O ATOM 516 CB LEU A 35 -9.659 5.087 2.823 1.00 0.00 C ATOM 517 CG LEU A 35 -8.148 4.912 2.991 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.405 5.316 1.716 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.640 5.675 4.216 1.00 0.00 C ATOM 0 H LEU A 35 -11.417 3.335 3.596 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.776 5.427 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.034 4.268 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.839 6.009 2.270 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.944 3.855 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.333 5.182 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.739 4.692 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.613 6.362 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.563 5.534 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.858 6.737 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.137 5.299 5.111 1.00 0.00 H new ATOM 531 N ALA A 36 -12.819 5.684 3.984 1.00 0.00 N ATOM 532 CA ALA A 36 -13.978 6.560 3.955 1.00 0.00 C ATOM 533 C ALA A 36 -13.933 7.499 5.162 1.00 0.00 C ATOM 534 O ALA A 36 -14.147 8.703 5.024 1.00 0.00 O ATOM 535 CB ALA A 36 -15.254 5.716 3.920 1.00 0.00 C ATOM 0 H ALA A 36 -13.034 4.690 3.909 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.970 7.178 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.124 6.372 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.251 5.088 3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.298 5.085 4.808 1.00 0.00 H new ATOM 541 N PRO A 37 -13.646 6.899 6.347 1.00 0.00 N ATOM 542 CA PRO A 37 -13.570 7.668 7.577 1.00 0.00 C ATOM 543 C PRO A 37 -12.275 8.481 7.636 1.00 0.00 C ATOM 544 O PRO A 37 -12.246 9.568 8.212 1.00 0.00 O ATOM 545 CB PRO A 37 -13.677 6.640 8.692 1.00 0.00 C ATOM 546 CG PRO A 37 -13.342 5.301 8.057 1.00 0.00 C ATOM 547 CD PRO A 37 -13.387 5.476 6.548 1.00 0.00 C ATOM 0 HA PRO A 37 -14.365 8.409 7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.987 6.871 9.504 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.680 6.630 9.119 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.354 4.965 8.373 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.054 4.539 8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.446 5.176 6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.171 4.864 6.102 1.00 0.00 H new ATOM 555 N TYR A 38 -11.236 7.924 7.033 1.00 0.00 N ATOM 556 CA TYR A 38 -9.941 8.583 7.010 1.00 0.00 C ATOM 557 C TYR A 38 -9.855 9.580 5.852 1.00 0.00 C ATOM 558 O TYR A 38 -8.822 10.217 5.653 1.00 0.00 O ATOM 559 CB TYR A 38 -8.908 7.476 6.793 1.00 0.00 C ATOM 560 CG TYR A 38 -8.425 6.814 8.085 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.266 5.972 8.785 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.149 7.058 8.550 1.00 0.00 C ATOM 563 CE1 TYR A 38 -8.811 5.349 10.001 1.00 0.00 C ATOM 564 CE2 TYR A 38 -6.695 6.435 9.766 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.548 5.611 10.431 1.00 0.00 C ATOM 566 OH TYR A 38 -7.119 5.022 11.580 1.00 0.00 O ATOM 0 H TYR A 38 -11.264 7.023 6.556 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.774 9.134 7.935 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.339 6.713 6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.049 7.893 6.267 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.265 5.781 8.421 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.491 7.716 8.002 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.458 4.689 10.559 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.699 6.618 10.142 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.215 4.668 11.448 1.00 0.00 H new ATOM 576 N LEU A 39 -10.953 9.682 5.118 1.00 0.00 N ATOM 577 CA LEU A 39 -11.014 10.590 3.985 1.00 0.00 C ATOM 578 C LEU A 39 -11.972 11.739 4.309 1.00 0.00 C ATOM 579 O LEU A 39 -12.108 12.677 3.526 1.00 0.00 O ATOM 580 CB LEU A 39 -11.375 9.830 2.708 1.00 0.00 C ATOM 581 CG LEU A 39 -10.198 9.300 1.887 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.119 8.706 2.796 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.671 8.301 0.830 1.00 0.00 C ATOM 0 H LEU A 39 -11.808 9.151 5.286 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.036 11.033 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.012 8.988 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.968 10.488 2.073 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.747 10.139 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.294 8.336 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.753 9.475 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.542 7.883 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.814 7.940 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.162 7.460 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.374 8.790 0.156 1.00 0.00 H new ATOM 595 N GLU A 40 -12.611 11.627 5.464 1.00 0.00 N ATOM 596 CA GLU A 40 -13.552 12.644 5.901 1.00 0.00 C ATOM 597 C GLU A 40 -14.806 12.618 5.024 1.00 0.00 C ATOM 598 O GLU A 40 -15.272 13.662 4.570 1.00 0.00 O ATOM 599 CB GLU A 40 -12.905 14.030 5.892 1.00 0.00 C ATOM 600 CG GLU A 40 -11.562 14.013 6.625 1.00 0.00 C ATOM 601 CD GLU A 40 -11.761 14.149 8.136 1.00 0.00 C ATOM 602 OE1 GLU A 40 -12.187 15.247 8.556 1.00 0.00 O ATOM 603 OE2 GLU A 40 -11.484 13.152 8.837 1.00 0.00 O ATOM 0 H GLU A 40 -12.495 10.847 6.111 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.845 12.423 6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.758 14.360 4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.573 14.750 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.036 13.084 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.935 14.828 6.262 1.00 0.00 H new ATOM 610 N MET A 41 -15.316 11.414 4.812 1.00 0.00 N ATOM 611 CA MET A 41 -16.507 11.239 3.997 1.00 0.00 C ATOM 612 C MET A 41 -17.772 11.533 4.806 1.00 0.00 C ATOM 613 O MET A 41 -17.695 11.864 5.988 1.00 0.00 O ATOM 614 CB MET A 41 -16.559 9.803 3.471 1.00 0.00 C ATOM 615 CG MET A 41 -15.587 9.611 2.306 1.00 0.00 C ATOM 616 SD MET A 41 -16.437 9.851 0.755 1.00 0.00 S ATOM 617 CE MET A 41 -15.508 11.227 0.101 1.00 0.00 C ATOM 0 H MET A 41 -14.927 10.550 5.190 1.00 0.00 H new ATOM 0 HA MET A 41 -16.461 11.939 3.163 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.312 9.109 4.274 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.572 9.567 3.146 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.761 10.317 2.391 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.156 8.611 2.343 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.910 11.508 -0.872 1.00 0.00 H new ATOM 0 HE2 MET A 41 -15.584 12.074 0.783 1.00 0.00 H new ATOM 0 HE3 MET A 41 -14.462 10.941 -0.007 1.00 0.00 H new ATOM 627 N LYS A 42 -18.908 11.403 4.136 1.00 0.00 N ATOM 628 CA LYS A 42 -20.188 11.650 4.777 1.00 0.00 C ATOM 629 C LYS A 42 -20.947 10.329 4.917 1.00 0.00 C ATOM 630 O LYS A 42 -21.040 9.558 3.963 1.00 0.00 O ATOM 631 CB LYS A 42 -20.966 12.729 4.021 1.00 0.00 C ATOM 632 CG LYS A 42 -20.278 14.090 4.146 1.00 0.00 C ATOM 633 CD LYS A 42 -20.501 14.692 5.535 1.00 0.00 C ATOM 634 CE LYS A 42 -21.961 15.110 5.723 1.00 0.00 C ATOM 635 NZ LYS A 42 -22.143 15.781 7.029 1.00 0.00 N ATOM 0 H LYS A 42 -18.968 11.130 3.155 1.00 0.00 H new ATOM 0 HA LYS A 42 -20.041 12.042 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.048 12.454 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.981 12.793 4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.210 13.980 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.665 14.768 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.226 13.965 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.851 15.557 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -22.260 15.781 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -22.607 14.234 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -23.139 16.058 7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.877 15.129 7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.541 16.628 7.071 1.00 0.00 H new ATOM 649 N ASP A 43 -21.471 10.109 6.114 1.00 0.00 N ATOM 650 CA ASP A 43 -22.219 8.895 6.391 1.00 0.00 C ATOM 651 C ASP A 43 -23.097 8.555 5.185 1.00 0.00 C ATOM 652 O ASP A 43 -23.089 7.421 4.707 1.00 0.00 O ATOM 653 CB ASP A 43 -23.134 9.076 7.604 1.00 0.00 C ATOM 654 CG ASP A 43 -24.028 10.317 7.560 1.00 0.00 C ATOM 655 OD1 ASP A 43 -23.458 11.423 7.440 1.00 0.00 O ATOM 656 OD2 ASP A 43 -25.261 10.131 7.649 1.00 0.00 O ATOM 0 H ASP A 43 -21.392 10.751 6.903 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.504 8.098 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.767 8.194 7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.517 9.122 8.502 1.00 0.00 H new ATOM 661 N SER A 44 -23.832 9.557 4.727 1.00 0.00 N ATOM 662 CA SER A 44 -24.713 9.378 3.585 1.00 0.00 C ATOM 663 C SER A 44 -23.906 8.928 2.366 1.00 0.00 C ATOM 664 O SER A 44 -24.282 7.976 1.684 1.00 0.00 O ATOM 665 CB SER A 44 -25.475 10.667 3.271 1.00 0.00 C ATOM 666 OG SER A 44 -26.344 11.047 4.335 1.00 0.00 O ATOM 0 H SER A 44 -23.836 10.496 5.126 1.00 0.00 H new ATOM 0 HA SER A 44 -25.443 8.607 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 44 -24.764 11.471 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 44 -26.056 10.531 2.359 1.00 0.00 H new ATOM 0 HG SER A 44 -26.811 11.875 4.096 1.00 0.00 H new ATOM 672 N GLU A 45 -22.810 9.634 2.129 1.00 0.00 N ATOM 673 CA GLU A 45 -21.946 9.319 1.004 1.00 0.00 C ATOM 674 C GLU A 45 -21.582 7.833 1.014 1.00 0.00 C ATOM 675 O GLU A 45 -21.901 7.107 0.073 1.00 0.00 O ATOM 676 CB GLU A 45 -20.688 10.191 1.018 1.00 0.00 C ATOM 677 CG GLU A 45 -20.696 11.182 -0.148 1.00 0.00 C ATOM 678 CD GLU A 45 -20.602 10.453 -1.489 1.00 0.00 C ATOM 679 OE1 GLU A 45 -21.662 9.979 -1.952 1.00 0.00 O ATOM 680 OE2 GLU A 45 -19.473 10.385 -2.021 1.00 0.00 O ATOM 0 H GLU A 45 -22.501 10.423 2.697 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.488 9.534 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.628 10.734 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.802 9.559 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.608 11.778 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.860 11.874 -0.047 1.00 0.00 H new ATOM 687 N ILE A 46 -20.921 7.425 2.087 1.00 0.00 N ATOM 688 CA ILE A 46 -20.511 6.038 2.231 1.00 0.00 C ATOM 689 C ILE A 46 -21.688 5.125 1.883 1.00 0.00 C ATOM 690 O ILE A 46 -21.499 4.055 1.306 1.00 0.00 O ATOM 691 CB ILE A 46 -19.933 5.793 3.626 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.696 6.660 3.867 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.643 4.307 3.845 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.432 6.835 5.364 1.00 0.00 C ATOM 0 H ILE A 46 -20.659 8.030 2.865 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.708 5.803 1.533 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.681 6.088 4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.828 6.202 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.835 7.636 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.233 4.160 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.567 3.737 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.922 3.964 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.547 7.455 5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.292 7.315 5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.269 5.859 5.821 1.00 0.00 H new ATOM 706 N ARG A 47 -22.878 5.579 2.250 1.00 0.00 N ATOM 707 CA ARG A 47 -24.085 4.816 1.984 1.00 0.00 C ATOM 708 C ARG A 47 -24.463 4.919 0.505 1.00 0.00 C ATOM 709 O ARG A 47 -24.985 3.967 -0.073 1.00 0.00 O ATOM 710 CB ARG A 47 -25.252 5.317 2.837 1.00 0.00 C ATOM 711 CG ARG A 47 -26.574 5.213 2.074 1.00 0.00 C ATOM 712 CD ARG A 47 -27.752 5.056 3.037 1.00 0.00 C ATOM 713 NE ARG A 47 -29.014 4.921 2.275 1.00 0.00 N ATOM 714 CZ ARG A 47 -30.234 5.061 2.811 1.00 0.00 C ATOM 715 NH1 ARG A 47 -30.365 5.342 4.115 1.00 0.00 N ATOM 716 NH2 ARG A 47 -31.323 4.921 2.044 1.00 0.00 N ATOM 0 H ARG A 47 -23.031 6.466 2.730 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.883 3.776 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.312 4.734 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.076 6.353 3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -26.716 6.104 1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -26.540 4.362 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -27.603 4.179 3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -27.808 5.920 3.700 1.00 0.00 H new ATOM 0 HE ARG A 47 -28.951 4.708 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -29.536 5.449 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -31.294 5.449 4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -31.224 4.708 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -32.252 5.028 2.452 1.00 0.00 H new ATOM 730 N GLN A 48 -24.185 6.082 -0.065 1.00 0.00 N ATOM 731 CA GLN A 48 -24.489 6.321 -1.465 1.00 0.00 C ATOM 732 C GLN A 48 -23.659 5.393 -2.355 1.00 0.00 C ATOM 733 O GLN A 48 -24.208 4.666 -3.181 1.00 0.00 O ATOM 734 CB GLN A 48 -24.256 7.787 -1.834 1.00 0.00 C ATOM 735 CG GLN A 48 -25.311 8.689 -1.191 1.00 0.00 C ATOM 736 CD GLN A 48 -26.658 8.553 -1.904 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.995 9.309 -2.800 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.408 7.549 -1.456 1.00 0.00 N ATOM 0 H GLN A 48 -23.752 6.869 0.418 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.544 6.102 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.262 8.094 -1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.286 7.902 -2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.425 8.428 -0.139 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.979 9.727 -1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.065 6.953 -0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -28.325 7.375 -1.866 1.00 0.00 H new ATOM 747 N ILE A 49 -22.351 5.449 -2.155 1.00 0.00 N ATOM 748 CA ILE A 49 -21.440 4.623 -2.929 1.00 0.00 C ATOM 749 C ILE A 49 -21.820 3.151 -2.754 1.00 0.00 C ATOM 750 O ILE A 49 -22.022 2.438 -3.736 1.00 0.00 O ATOM 751 CB ILE A 49 -19.989 4.931 -2.556 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.628 6.376 -2.906 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.031 3.928 -3.203 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.581 6.930 -1.937 1.00 0.00 C ATOM 0 H ILE A 49 -21.900 6.053 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.527 4.852 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.884 4.825 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.245 6.422 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.524 6.997 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.006 4.170 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.273 2.921 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.131 3.977 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.342 7.958 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.976 6.905 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.678 6.322 -1.990 1.00 0.00 H new ATOM 766 N GLU A 50 -21.906 2.740 -1.498 1.00 0.00 N ATOM 767 CA GLU A 50 -22.259 1.366 -1.182 1.00 0.00 C ATOM 768 C GLU A 50 -23.407 0.894 -2.076 1.00 0.00 C ATOM 769 O GLU A 50 -23.429 -0.258 -2.508 1.00 0.00 O ATOM 770 CB GLU A 50 -22.619 1.219 0.297 1.00 0.00 C ATOM 771 CG GLU A 50 -21.468 0.587 1.082 1.00 0.00 C ATOM 772 CD GLU A 50 -21.976 -0.078 2.363 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.789 0.573 3.055 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.542 -1.221 2.621 1.00 0.00 O ATOM 0 H GLU A 50 -21.737 3.334 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.392 0.735 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.856 2.197 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.513 0.604 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.962 -0.152 0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.732 1.351 1.332 1.00 0.00 H new ATOM 781 N CYS A 51 -24.333 1.808 -2.328 1.00 0.00 N ATOM 782 CA CYS A 51 -25.482 1.499 -3.162 1.00 0.00 C ATOM 783 C CYS A 51 -25.085 1.715 -4.624 1.00 0.00 C ATOM 784 O CYS A 51 -25.238 0.817 -5.451 1.00 0.00 O ATOM 785 CB CYS A 51 -26.703 2.334 -2.774 1.00 0.00 C ATOM 786 SG CYS A 51 -28.219 1.313 -2.882 1.00 0.00 S ATOM 0 H CYS A 51 -24.311 2.763 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 51 -25.773 0.459 -3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.584 2.718 -1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.788 3.197 -3.434 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.250 2.031 -2.548 1.00 0.00 H new ATOM 792 N ASP A 52 -24.582 2.909 -4.898 1.00 0.00 N ATOM 793 CA ASP A 52 -24.162 3.254 -6.246 1.00 0.00 C ATOM 794 C ASP A 52 -23.484 2.043 -6.889 1.00 0.00 C ATOM 795 O ASP A 52 -23.682 1.772 -8.073 1.00 0.00 O ATOM 796 CB ASP A 52 -23.156 4.407 -6.231 1.00 0.00 C ATOM 797 CG ASP A 52 -23.448 5.532 -7.226 1.00 0.00 C ATOM 798 OD1 ASP A 52 -23.790 5.195 -8.380 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.323 6.704 -6.810 1.00 0.00 O ATOM 0 H ASP A 52 -24.456 3.651 -4.209 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.046 3.554 -6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.125 4.829 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.164 4.007 -6.439 1.00 0.00 H new ATOM 804 N SER A 53 -22.698 1.346 -6.081 1.00 0.00 N ATOM 805 CA SER A 53 -21.990 0.170 -6.557 1.00 0.00 C ATOM 806 C SER A 53 -21.975 -0.907 -5.470 1.00 0.00 C ATOM 807 O SER A 53 -21.874 -0.596 -4.284 1.00 0.00 O ATOM 808 CB SER A 53 -20.561 0.520 -6.977 1.00 0.00 C ATOM 809 OG SER A 53 -19.963 1.469 -6.098 1.00 0.00 O ATOM 0 H SER A 53 -22.536 1.573 -5.100 1.00 0.00 H new ATOM 0 HA SER A 53 -22.514 -0.214 -7.433 1.00 0.00 H new ATOM 0 HB2 SER A 53 -19.957 -0.387 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.569 0.920 -7.991 1.00 0.00 H new ATOM 0 HG SER A 53 -19.208 1.902 -6.549 1.00 0.00 H new ATOM 815 N GLU A 54 -22.077 -2.152 -5.914 1.00 0.00 N ATOM 816 CA GLU A 54 -22.076 -3.276 -4.994 1.00 0.00 C ATOM 817 C GLU A 54 -20.643 -3.734 -4.716 1.00 0.00 C ATOM 818 O GLU A 54 -20.236 -3.846 -3.561 1.00 0.00 O ATOM 819 CB GLU A 54 -22.924 -4.428 -5.536 1.00 0.00 C ATOM 820 CG GLU A 54 -24.238 -4.554 -4.762 1.00 0.00 C ATOM 821 CD GLU A 54 -24.865 -5.934 -4.966 1.00 0.00 C ATOM 822 OE1 GLU A 54 -24.091 -6.915 -4.965 1.00 0.00 O ATOM 823 OE2 GLU A 54 -26.105 -5.977 -5.119 1.00 0.00 O ATOM 0 H GLU A 54 -22.161 -2.406 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.521 -2.951 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.135 -4.263 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.365 -5.361 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.056 -4.387 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.934 -3.782 -5.092 1.00 0.00 H new ATOM 830 N ASP A 55 -19.916 -3.986 -5.795 1.00 0.00 N ATOM 831 CA ASP A 55 -18.537 -4.429 -5.682 1.00 0.00 C ATOM 832 C ASP A 55 -17.713 -3.344 -4.986 1.00 0.00 C ATOM 833 O ASP A 55 -18.081 -2.170 -5.006 1.00 0.00 O ATOM 834 CB ASP A 55 -17.923 -4.675 -7.062 1.00 0.00 C ATOM 835 CG ASP A 55 -18.408 -5.943 -7.768 1.00 0.00 C ATOM 836 OD1 ASP A 55 -19.110 -6.732 -7.099 1.00 0.00 O ATOM 837 OD2 ASP A 55 -18.065 -6.095 -8.960 1.00 0.00 O ATOM 0 H ASP A 55 -20.256 -3.892 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.527 -5.358 -5.111 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.141 -3.817 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.839 -4.727 -6.957 1.00 0.00 H new ATOM 842 N MET A 56 -16.613 -3.775 -4.385 1.00 0.00 N ATOM 843 CA MET A 56 -15.734 -2.856 -3.683 1.00 0.00 C ATOM 844 C MET A 56 -14.918 -2.018 -4.669 1.00 0.00 C ATOM 845 O MET A 56 -14.788 -0.806 -4.501 1.00 0.00 O ATOM 846 CB MET A 56 -14.787 -3.645 -2.778 1.00 0.00 C ATOM 847 CG MET A 56 -15.570 -4.515 -1.791 1.00 0.00 C ATOM 848 SD MET A 56 -16.221 -3.505 -0.471 1.00 0.00 S ATOM 849 CE MET A 56 -16.631 -4.774 0.716 1.00 0.00 C ATOM 0 H MET A 56 -16.311 -4.749 -4.370 1.00 0.00 H new ATOM 0 HA MET A 56 -16.347 -2.183 -3.083 1.00 0.00 H new ATOM 0 HB2 MET A 56 -14.137 -4.274 -3.386 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.143 -2.956 -2.230 1.00 0.00 H new ATOM 0 HG2 MET A 56 -16.385 -5.022 -2.308 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.921 -5.289 -1.382 1.00 0.00 H new ATOM 0 HE1 MET A 56 -16.676 -4.338 1.714 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.599 -5.208 0.465 1.00 0.00 H new ATOM 0 HE3 MET A 56 -15.868 -5.552 0.695 1.00 0.00 H new ATOM 859 N LYS A 57 -14.388 -2.696 -5.676 1.00 0.00 N ATOM 860 CA LYS A 57 -13.587 -2.030 -6.689 1.00 0.00 C ATOM 861 C LYS A 57 -14.288 -0.739 -7.118 1.00 0.00 C ATOM 862 O LYS A 57 -13.678 0.330 -7.123 1.00 0.00 O ATOM 863 CB LYS A 57 -13.289 -2.982 -7.849 1.00 0.00 C ATOM 864 CG LYS A 57 -12.218 -4.003 -7.458 1.00 0.00 C ATOM 865 CD LYS A 57 -12.011 -5.033 -8.570 1.00 0.00 C ATOM 866 CE LYS A 57 -11.425 -6.332 -8.013 1.00 0.00 C ATOM 867 NZ LYS A 57 -11.591 -7.435 -8.985 1.00 0.00 N ATOM 0 H LYS A 57 -14.498 -3.701 -5.812 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.616 -1.747 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.202 -3.501 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.954 -2.412 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.278 -3.490 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.511 -4.509 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.962 -5.240 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.343 -4.625 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.367 -6.194 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.919 -6.588 -7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.188 -8.309 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.603 -7.577 -9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.099 -7.195 -9.869 1.00 0.00 H new ATOM 881 N MET A 58 -15.558 -0.880 -7.468 1.00 0.00 N ATOM 882 CA MET A 58 -16.347 0.261 -7.898 1.00 0.00 C ATOM 883 C MET A 58 -16.485 1.288 -6.772 1.00 0.00 C ATOM 884 O MET A 58 -16.161 2.460 -6.953 1.00 0.00 O ATOM 885 CB MET A 58 -17.736 -0.212 -8.330 1.00 0.00 C ATOM 886 CG MET A 58 -17.752 -0.581 -9.815 1.00 0.00 C ATOM 887 SD MET A 58 -18.779 0.566 -10.719 1.00 0.00 S ATOM 888 CE MET A 58 -17.649 1.940 -10.870 1.00 0.00 C ATOM 0 H MET A 58 -16.060 -1.768 -7.462 1.00 0.00 H new ATOM 0 HA MET A 58 -15.838 0.735 -8.737 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.032 -1.075 -7.734 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.467 0.573 -8.139 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.737 -0.565 -10.213 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.128 -1.596 -9.942 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.133 2.751 -11.414 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.364 2.288 -9.877 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.759 1.621 -11.412 1.00 0.00 H new ATOM 898 N ARG A 59 -16.967 0.809 -5.634 1.00 0.00 N ATOM 899 CA ARG A 59 -17.152 1.671 -4.478 1.00 0.00 C ATOM 900 C ARG A 59 -15.879 2.476 -4.208 1.00 0.00 C ATOM 901 O ARG A 59 -15.942 3.679 -3.959 1.00 0.00 O ATOM 902 CB ARG A 59 -17.505 0.854 -3.234 1.00 0.00 C ATOM 903 CG ARG A 59 -18.889 0.216 -3.371 1.00 0.00 C ATOM 904 CD ARG A 59 -19.141 -0.792 -2.249 1.00 0.00 C ATOM 905 NE ARG A 59 -20.542 -1.267 -2.301 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.046 -2.211 -1.493 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.267 -2.786 -0.567 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.329 -2.579 -1.612 1.00 0.00 N ATOM 0 H ARG A 59 -17.235 -0.164 -5.488 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.975 2.350 -4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.756 0.077 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.483 1.497 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.655 0.991 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.970 -0.282 -4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.458 -1.636 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.940 -0.330 -1.282 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.163 -0.850 -2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.290 -2.506 -0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.650 -3.504 0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.922 -2.141 -2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.713 -3.297 -0.998 1.00 0.00 H new ATOM 922 N ALA A 60 -14.753 1.779 -4.265 1.00 0.00 N ATOM 923 CA ALA A 60 -13.468 2.414 -4.028 1.00 0.00 C ATOM 924 C ALA A 60 -13.294 3.581 -5.003 1.00 0.00 C ATOM 925 O ALA A 60 -12.980 4.697 -4.591 1.00 0.00 O ATOM 926 CB ALA A 60 -12.353 1.375 -4.158 1.00 0.00 C ATOM 0 H ALA A 60 -14.704 0.781 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.420 2.818 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.389 1.852 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.507 0.583 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.368 0.949 -5.161 1.00 0.00 H new ATOM 932 N LYS A 61 -13.505 3.283 -6.277 1.00 0.00 N ATOM 933 CA LYS A 61 -13.375 4.293 -7.313 1.00 0.00 C ATOM 934 C LYS A 61 -14.266 5.488 -6.968 1.00 0.00 C ATOM 935 O LYS A 61 -13.771 6.592 -6.746 1.00 0.00 O ATOM 936 CB LYS A 61 -13.662 3.689 -8.689 1.00 0.00 C ATOM 937 CG LYS A 61 -13.222 4.637 -9.806 1.00 0.00 C ATOM 938 CD LYS A 61 -13.995 4.359 -11.097 1.00 0.00 C ATOM 939 CE LYS A 61 -13.393 5.130 -12.274 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.350 5.185 -13.401 1.00 0.00 N ATOM 0 H LYS A 61 -13.765 2.356 -6.615 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.350 4.661 -7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.140 2.737 -8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.728 3.480 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.384 5.670 -9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.153 4.522 -9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.979 3.290 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.039 4.643 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.134 6.141 -11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.469 4.650 -12.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.926 5.712 -14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.577 4.219 -13.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.221 5.664 -13.094 1.00 0.00 H new ATOM 954 N GLN A 62 -15.564 5.228 -6.935 1.00 0.00 N ATOM 955 CA GLN A 62 -16.529 6.268 -6.621 1.00 0.00 C ATOM 956 C GLN A 62 -16.010 7.146 -5.481 1.00 0.00 C ATOM 957 O GLN A 62 -16.146 8.368 -5.522 1.00 0.00 O ATOM 958 CB GLN A 62 -17.892 5.666 -6.274 1.00 0.00 C ATOM 959 CG GLN A 62 -18.596 5.145 -7.528 1.00 0.00 C ATOM 960 CD GLN A 62 -19.612 6.164 -8.049 1.00 0.00 C ATOM 961 OE1 GLN A 62 -19.434 6.782 -9.086 1.00 0.00 O ATOM 962 NE2 GLN A 62 -20.685 6.303 -7.275 1.00 0.00 N ATOM 0 H GLN A 62 -15.971 4.311 -7.121 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.660 6.893 -7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.763 4.852 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.514 6.419 -5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.858 4.933 -8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.101 4.205 -7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.771 5.754 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.422 6.958 -7.537 1.00 0.00 H new ATOM 971 N LEU A 63 -15.427 6.489 -4.489 1.00 0.00 N ATOM 972 CA LEU A 63 -14.887 7.194 -3.339 1.00 0.00 C ATOM 973 C LEU A 63 -13.762 8.124 -3.798 1.00 0.00 C ATOM 974 O LEU A 63 -13.870 9.343 -3.675 1.00 0.00 O ATOM 975 CB LEU A 63 -14.462 6.203 -2.254 1.00 0.00 C ATOM 976 CG LEU A 63 -13.649 6.785 -1.096 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.484 7.776 -0.282 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.067 5.672 -0.221 1.00 0.00 C ATOM 0 H LEU A 63 -15.317 5.475 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.653 7.821 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.358 5.737 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.876 5.412 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.809 7.340 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.882 8.174 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.808 8.593 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.357 7.267 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.494 6.113 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.878 5.070 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.414 5.040 -0.823 1.00 0.00 H new ATOM 990 N LEU A 64 -12.707 7.512 -4.317 1.00 0.00 N ATOM 991 CA LEU A 64 -11.563 8.269 -4.795 1.00 0.00 C ATOM 992 C LEU A 64 -12.055 9.493 -5.570 1.00 0.00 C ATOM 993 O LEU A 64 -11.515 10.588 -5.417 1.00 0.00 O ATOM 994 CB LEU A 64 -10.623 7.369 -5.599 1.00 0.00 C ATOM 995 CG LEU A 64 -9.713 6.450 -4.782 1.00 0.00 C ATOM 996 CD1 LEU A 64 -10.000 6.584 -3.285 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.827 5.001 -5.260 1.00 0.00 C ATOM 0 H LEU A 64 -12.621 6.501 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.973 8.638 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.225 6.752 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.997 8.001 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.681 6.762 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.340 5.920 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.828 7.614 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.037 6.314 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.170 4.368 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.857 4.661 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.535 4.940 -6.308 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.074 9.267 -6.386 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.645 10.338 -7.185 1.00 0.00 C ATOM 1011 C VAL A 65 -14.173 11.435 -6.258 1.00 0.00 C ATOM 1012 O VAL A 65 -13.719 12.576 -6.319 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.718 9.778 -8.121 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.243 10.862 -9.064 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.188 8.577 -8.907 1.00 0.00 C ATOM 0 H VAL A 65 -13.519 8.358 -6.511 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.882 10.789 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.551 9.435 -7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -16.004 10.437 -9.718 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.678 11.673 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.421 11.249 -9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.971 8.198 -9.564 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.329 8.883 -9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.886 7.793 -8.213 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.126 11.050 -5.421 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.721 11.986 -4.483 1.00 0.00 C ATOM 1027 C ALA A 66 -14.618 12.621 -3.634 1.00 0.00 C ATOM 1028 O ALA A 66 -14.634 13.826 -3.389 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.767 11.262 -3.633 1.00 0.00 C ATOM 0 H ALA A 66 -15.500 10.102 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.232 12.789 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.213 11.964 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.543 10.854 -4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.291 10.451 -3.083 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.685 11.781 -3.209 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.577 12.245 -2.392 1.00 0.00 C ATOM 1037 C TRP A 67 -11.727 13.193 -3.243 1.00 0.00 C ATOM 1038 O TRP A 67 -11.090 14.103 -2.715 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.778 11.067 -1.831 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.424 11.460 -1.237 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.173 11.980 -0.028 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.136 11.342 -1.878 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.824 12.205 0.157 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.174 11.805 -1.005 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.797 10.860 -3.155 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.808 11.831 -1.312 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.428 10.894 -3.447 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.446 11.357 -2.579 1.00 0.00 C ATOM 0 H TRP A 67 -13.674 10.782 -3.415 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.942 12.790 -1.521 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.371 10.573 -1.062 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.617 10.339 -2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.932 12.196 0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.385 12.593 0.992 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.534 10.493 -3.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.074 12.197 -0.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.113 10.535 -4.416 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.409 11.351 -2.880 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.746 12.945 -4.544 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.985 13.765 -5.472 1.00 0.00 C ATOM 1061 C GLN A 68 -11.732 15.068 -5.764 1.00 0.00 C ATOM 1062 O GLN A 68 -11.117 16.075 -6.110 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.691 13.000 -6.765 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.952 13.886 -7.769 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.701 13.137 -9.080 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -10.530 13.102 -9.974 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.513 12.541 -9.143 1.00 0.00 N ATOM 0 H GLN A 68 -12.276 12.189 -4.978 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.030 14.012 -5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.091 12.118 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.624 12.647 -7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.536 14.785 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.002 14.210 -7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.865 12.610 -8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.250 12.015 -9.976 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.047 15.006 -5.613 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.883 16.169 -5.856 1.00 0.00 C ATOM 1078 C ASP A 69 -13.962 17.011 -4.581 1.00 0.00 C ATOM 1079 O ASP A 69 -14.058 18.235 -4.646 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.305 15.754 -6.238 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.049 16.745 -7.136 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.441 17.164 -8.144 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -17.210 17.060 -6.794 1.00 0.00 O ATOM 0 H ASP A 69 -13.554 14.169 -5.326 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.441 16.737 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.262 14.790 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.883 15.610 -5.325 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.918 16.320 -3.451 1.00 0.00 N ATOM 1089 CA GLN A 70 -13.984 16.989 -2.163 1.00 0.00 C ATOM 1090 C GLN A 70 -12.712 17.805 -1.923 1.00 0.00 C ATOM 1091 O GLN A 70 -12.756 19.034 -1.890 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.209 15.982 -1.033 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.674 16.519 0.296 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.546 16.058 1.465 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.763 16.145 1.438 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -13.859 15.564 2.491 1.00 0.00 N ATOM 0 H GLN A 70 -13.838 15.304 -3.401 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.834 17.671 -2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.273 15.767 -0.940 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.713 15.042 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.650 16.177 0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.645 17.608 0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.841 15.520 2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.350 15.229 3.320 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.609 17.089 -1.763 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.327 17.732 -1.528 1.00 0.00 C ATOM 1107 C GLU A 71 -9.950 18.616 -2.718 1.00 0.00 C ATOM 1108 O GLU A 71 -9.283 19.636 -2.552 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.237 16.696 -1.248 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.466 16.009 0.100 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.477 16.519 1.150 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -7.350 15.980 1.176 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -8.871 17.435 1.903 1.00 0.00 O ATOM 0 H GLU A 71 -11.576 16.070 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.417 18.364 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.226 15.950 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.260 17.180 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.486 16.192 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.357 14.931 -0.014 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.393 18.193 -3.893 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.111 18.933 -5.111 1.00 0.00 C ATOM 1122 C GLY A 72 -8.694 18.646 -5.611 1.00 0.00 C ATOM 1123 O GLY A 72 -8.317 17.489 -5.790 1.00 0.00 O ATOM 0 H GLY A 72 -10.946 17.346 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.834 18.663 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.226 20.001 -4.927 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.947 19.720 -5.823 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.579 19.598 -6.298 1.00 0.00 C ATOM 1129 C VAL A 73 -5.681 19.143 -5.146 1.00 0.00 C ATOM 1130 O VAL A 73 -4.489 18.908 -5.339 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.124 20.917 -6.926 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.106 21.379 -8.004 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.934 21.996 -5.858 1.00 0.00 C ATOM 0 H VAL A 73 -8.263 20.678 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.512 18.841 -7.079 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.159 20.745 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.759 22.319 -8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.169 20.623 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.091 21.525 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.610 22.923 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.877 22.164 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.179 21.671 -5.143 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.288 19.032 -3.974 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.558 18.610 -2.790 1.00 0.00 C ATOM 1145 C HIS A 74 -5.517 17.081 -2.731 1.00 0.00 C ATOM 1146 O HIS A 74 -4.751 16.507 -1.959 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.158 19.236 -1.530 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.217 20.744 -1.561 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.703 21.535 -0.548 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -6.732 21.597 -2.492 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -5.906 22.806 -0.866 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.544 22.842 -2.071 1.00 0.00 N ATOM 0 H HIS A 74 -7.277 19.227 -3.818 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.529 18.965 -2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.166 18.846 -1.388 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.571 18.923 -0.667 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.212 21.309 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.617 23.662 -0.275 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.830 23.686 -2.567 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.351 16.467 -3.558 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.419 15.016 -3.609 1.00 0.00 C ATOM 1162 C ALA A 75 -5.150 14.473 -4.269 1.00 0.00 C ATOM 1163 O ALA A 75 -5.153 14.149 -5.456 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.689 14.591 -4.349 1.00 0.00 C ATOM 0 H ALA A 75 -6.984 16.947 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.472 14.598 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.741 13.503 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.563 14.977 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.670 14.990 -5.363 1.00 0.00 H new ATOM 1170 N THR A 76 -4.095 14.391 -3.472 1.00 0.00 N ATOM 1171 CA THR A 76 -2.822 13.893 -3.963 1.00 0.00 C ATOM 1172 C THR A 76 -2.588 12.460 -3.483 1.00 0.00 C ATOM 1173 O THR A 76 -3.216 12.012 -2.524 1.00 0.00 O ATOM 1174 CB THR A 76 -1.729 14.868 -3.520 1.00 0.00 C ATOM 1175 OG1 THR A 76 -1.812 14.859 -2.097 1.00 0.00 O ATOM 1176 CG2 THR A 76 -2.046 16.316 -3.902 1.00 0.00 C ATOM 0 H THR A 76 -4.096 14.661 -2.489 1.00 0.00 H new ATOM 0 HA THR A 76 -2.811 13.843 -5.052 1.00 0.00 H new ATOM 0 HB THR A 76 -0.779 14.575 -3.966 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.136 15.464 -1.726 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.239 16.966 -3.565 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.146 16.393 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.979 16.621 -3.429 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.659 11.761 -4.188 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.335 10.387 -3.844 1.00 0.00 C ATOM 1186 C PRO A 77 -0.471 10.328 -2.582 1.00 0.00 C ATOM 1187 O PRO A 77 -0.392 9.289 -1.928 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.633 9.829 -5.071 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.177 11.035 -5.875 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.896 12.258 -5.329 1.00 0.00 C ATOM 0 HA PRO A 77 -2.217 9.794 -3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.215 9.206 -4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.307 9.202 -5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.903 11.160 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.406 10.898 -6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.189 13.031 -5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.550 12.701 -6.080 1.00 0.00 H new ATOM 1198 N GLU A 78 0.155 11.455 -2.279 1.00 0.00 N ATOM 1199 CA GLU A 78 1.010 11.545 -1.107 1.00 0.00 C ATOM 1200 C GLU A 78 0.162 11.687 0.159 1.00 0.00 C ATOM 1201 O GLU A 78 0.539 11.194 1.221 1.00 0.00 O ATOM 1202 CB GLU A 78 2.000 12.704 -1.238 1.00 0.00 C ATOM 1203 CG GLU A 78 2.927 12.773 -0.023 1.00 0.00 C ATOM 1204 CD GLU A 78 4.365 13.077 -0.447 1.00 0.00 C ATOM 1205 OE1 GLU A 78 4.962 12.195 -1.101 1.00 0.00 O ATOM 1206 OE2 GLU A 78 4.835 14.185 -0.107 1.00 0.00 O ATOM 0 H GLU A 78 0.088 12.314 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 78 1.588 10.624 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.592 12.581 -2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.455 13.643 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.576 13.543 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.896 11.827 0.517 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.966 12.364 0.004 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.870 12.577 1.121 1.00 0.00 C ATOM 1215 C ASN A 79 -2.653 11.291 1.392 1.00 0.00 C ATOM 1216 O ASN A 79 -2.763 10.856 2.537 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.877 13.687 0.811 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.254 15.068 1.026 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.223 15.221 1.661 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -2.935 16.062 0.463 1.00 0.00 N ATOM 0 H ASN A 79 -1.275 12.772 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.273 12.863 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.219 13.595 -0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.754 13.576 1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.601 17.022 0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.791 15.864 -0.055 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.177 10.718 0.318 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.946 9.490 0.424 1.00 0.00 C ATOM 1229 C LEU A 80 -3.109 8.430 1.143 1.00 0.00 C ATOM 1230 O LEU A 80 -3.611 7.726 2.018 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.446 9.050 -0.953 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.680 8.145 -0.961 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.784 8.716 -0.068 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.169 7.897 -2.389 1.00 0.00 C ATOM 0 H LEU A 80 -3.084 11.082 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.841 9.651 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.670 9.942 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.635 8.530 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.397 7.178 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.650 8.054 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.418 8.799 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.072 9.703 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.047 7.251 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.430 8.847 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.379 7.416 -2.966 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.848 8.349 0.746 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.936 7.386 1.341 1.00 0.00 C ATOM 1248 C ILE A 81 -0.853 7.633 2.849 1.00 0.00 C ATOM 1249 O ILE A 81 -0.975 6.701 3.642 1.00 0.00 O ATOM 1250 CB ILE A 81 0.421 7.426 0.636 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.341 6.770 -0.745 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.510 6.797 1.507 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.579 7.099 -1.581 1.00 0.00 C ATOM 0 H ILE A 81 -1.436 8.934 0.019 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.311 6.372 1.204 1.00 0.00 H new ATOM 0 HB ILE A 81 0.695 8.470 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.250 5.690 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.554 7.114 -1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.465 6.838 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.588 7.346 2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.255 5.758 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.497 6.621 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.654 8.179 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.470 6.732 -1.071 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.647 8.895 3.198 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.546 9.276 4.597 1.00 0.00 C ATOM 1267 C ASN A 82 -1.700 8.645 5.378 1.00 0.00 C ATOM 1268 O ASN A 82 -1.488 8.052 6.434 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.638 10.795 4.761 1.00 0.00 C ATOM 1270 CG ASN A 82 0.452 11.312 5.702 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.600 11.486 5.328 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.030 11.546 6.942 1.00 0.00 N ATOM 0 H ASN A 82 -0.547 9.666 2.537 1.00 0.00 H new ATOM 0 HA ASN A 82 0.417 8.930 4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.541 11.276 3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.619 11.063 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.682 11.892 7.646 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.946 11.379 7.189 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.896 8.794 4.828 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.084 8.246 5.460 1.00 0.00 C ATOM 1281 C ALA A 83 -3.995 6.718 5.464 1.00 0.00 C ATOM 1282 O ALA A 83 -4.272 6.080 6.478 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.330 8.756 4.734 1.00 0.00 C ATOM 0 H ALA A 83 -3.068 9.286 3.951 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.154 8.575 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.221 8.345 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.361 9.844 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.297 8.443 3.691 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.609 6.177 4.318 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.480 4.737 4.177 1.00 0.00 C ATOM 1291 C LEU A 84 -2.606 4.193 5.309 1.00 0.00 C ATOM 1292 O LEU A 84 -2.769 3.049 5.730 1.00 0.00 O ATOM 1293 CB LEU A 84 -2.970 4.379 2.780 1.00 0.00 C ATOM 1294 CG LEU A 84 -3.926 4.670 1.621 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.166 4.789 0.299 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.038 3.620 1.551 1.00 0.00 C ATOM 0 H LEU A 84 -3.381 6.710 3.479 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.454 4.257 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.041 4.922 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.726 3.317 2.765 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.403 5.633 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.869 4.996 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.443 5.602 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.644 3.854 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.704 3.850 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.598 2.634 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.605 3.628 2.482 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.696 5.040 5.769 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.796 4.659 6.844 1.00 0.00 C ATOM 1310 C ASN A 85 -1.584 4.552 8.150 1.00 0.00 C ATOM 1311 O ASN A 85 -1.697 3.470 8.725 1.00 0.00 O ATOM 1312 CB ASN A 85 0.303 5.705 7.039 1.00 0.00 C ATOM 1313 CG ASN A 85 1.683 5.115 6.741 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.179 4.248 7.442 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.271 5.630 5.666 1.00 0.00 N ATOM 0 H ASN A 85 -1.563 5.988 5.417 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.342 3.704 6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.119 6.557 6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.277 6.078 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.194 5.301 5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.799 6.354 5.124 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.110 5.689 8.582 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.884 5.737 9.810 1.00 0.00 C ATOM 1324 C LYS A 86 -4.068 4.774 9.699 1.00 0.00 C ATOM 1325 O LYS A 86 -4.473 4.166 10.689 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.291 7.177 10.131 1.00 0.00 C ATOM 1327 CG LYS A 86 -3.964 7.838 8.926 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.756 9.076 9.352 1.00 0.00 C ATOM 1329 CE LYS A 86 -3.818 10.232 9.705 1.00 0.00 C ATOM 1330 NZ LYS A 86 -4.521 11.235 10.536 1.00 0.00 N ATOM 0 H LYS A 86 -2.015 6.584 8.103 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.280 5.405 10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.972 7.185 10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.411 7.751 10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.209 8.120 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.630 7.125 8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.425 9.379 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.381 8.834 10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.949 9.852 10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.450 10.701 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.870 12.013 10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.337 11.610 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.851 10.788 11.415 1.00 0.00 H new ATOM 1344 N SER A 87 -4.590 4.665 8.486 1.00 0.00 N ATOM 1345 CA SER A 87 -5.719 3.786 8.233 1.00 0.00 C ATOM 1346 C SER A 87 -5.291 2.326 8.393 1.00 0.00 C ATOM 1347 O SER A 87 -6.128 1.424 8.371 1.00 0.00 O ATOM 1348 CB SER A 87 -6.296 4.020 6.836 1.00 0.00 C ATOM 1349 OG SER A 87 -5.640 3.231 5.848 1.00 0.00 O ATOM 0 H SER A 87 -4.252 5.171 7.667 1.00 0.00 H new ATOM 0 HA SER A 87 -6.498 4.011 8.961 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.360 3.785 6.839 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.203 5.075 6.578 1.00 0.00 H new ATOM 0 HG SER A 87 -4.686 3.166 6.062 1.00 0.00 H new ATOM 1355 N GLY A 88 -3.989 2.138 8.551 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.440 0.802 8.714 1.00 0.00 C ATOM 1357 C GLY A 88 -3.495 0.022 7.399 1.00 0.00 C ATOM 1358 O GLY A 88 -3.546 -1.207 7.404 1.00 0.00 O ATOM 0 H GLY A 88 -3.298 2.888 8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.408 0.869 9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.998 0.267 9.482 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.481 0.768 6.305 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.529 0.162 4.985 1.00 0.00 C ATOM 1364 C LEU A 89 -2.144 0.247 4.339 1.00 0.00 C ATOM 1365 O LEU A 89 -2.029 0.475 3.136 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.639 0.795 4.144 1.00 0.00 C ATOM 1367 CG LEU A 89 -6.013 0.128 4.236 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.186 -0.589 5.576 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.132 1.139 3.978 1.00 0.00 C ATOM 0 H LEU A 89 -3.437 1.787 6.305 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.782 -0.895 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.743 1.838 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.324 0.791 3.100 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.078 -0.630 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.171 -1.054 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.418 -1.356 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.092 0.131 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.098 0.639 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.080 1.936 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.016 1.563 2.981 1.00 0.00 H new ATOM 1381 N SER A 90 -1.127 0.060 5.168 1.00 0.00 N ATOM 1382 CA SER A 90 0.245 0.112 4.693 1.00 0.00 C ATOM 1383 C SER A 90 0.345 -0.535 3.311 1.00 0.00 C ATOM 1384 O SER A 90 1.027 -0.018 2.427 1.00 0.00 O ATOM 1385 CB SER A 90 1.194 -0.580 5.673 1.00 0.00 C ATOM 1386 OG SER A 90 0.804 -1.925 5.935 1.00 0.00 O ATOM 0 H SER A 90 -1.226 -0.128 6.166 1.00 0.00 H new ATOM 0 HA SER A 90 0.542 1.158 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.206 -0.569 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.219 -0.021 6.609 1.00 0.00 H new ATOM 0 HG SER A 90 1.436 -2.332 6.564 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.344 -1.658 3.167 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.341 -2.382 1.907 1.00 0.00 C ATOM 1394 C ASP A 91 -0.576 -1.398 0.758 1.00 0.00 C ATOM 1395 O ASP A 91 0.148 -1.416 -0.237 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.457 -3.427 1.869 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.026 -4.817 1.399 1.00 0.00 C ATOM 1398 OD1 ASP A 91 0.017 -4.886 0.713 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -1.748 -5.780 1.736 1.00 0.00 O ATOM 0 H ASP A 91 -0.908 -2.084 3.902 1.00 0.00 H new ATOM 0 HA ASP A 91 0.623 -2.880 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.886 -3.514 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.249 -3.067 1.212 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.589 -0.563 0.934 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.928 0.425 -0.075 1.00 0.00 C ATOM 1406 C LEU A 92 -0.761 1.401 -0.240 1.00 0.00 C ATOM 1407 O LEU A 92 -0.193 1.518 -1.325 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.255 1.106 0.266 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.492 0.565 -0.455 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.883 1.468 -1.626 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.279 -0.885 -0.895 1.00 0.00 C ATOM 0 H LEU A 92 -2.186 -0.550 1.761 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.082 -0.055 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.419 1.021 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.164 2.169 0.041 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.326 0.570 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.765 1.061 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.105 2.469 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.059 1.519 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.172 -1.246 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.428 -0.938 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.085 -1.506 -0.020 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.437 2.076 0.853 1.00 0.00 N ATOM 1424 CA ALA A 93 0.652 3.037 0.844 1.00 0.00 C ATOM 1425 C ALA A 93 1.831 2.458 0.060 1.00 0.00 C ATOM 1426 O ALA A 93 2.318 3.077 -0.886 1.00 0.00 O ATOM 1427 CB ALA A 93 1.029 3.396 2.282 1.00 0.00 C ATOM 0 H ALA A 93 -0.910 1.976 1.751 1.00 0.00 H new ATOM 0 HA ALA A 93 0.346 3.958 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.846 4.117 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.166 3.831 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.344 2.496 2.811 1.00 0.00 H new ATOM 1433 N GLU A 94 2.257 1.276 0.481 1.00 0.00 N ATOM 1434 CA GLU A 94 3.370 0.606 -0.170 1.00 0.00 C ATOM 1435 C GLU A 94 3.030 0.311 -1.632 1.00 0.00 C ATOM 1436 O GLU A 94 3.914 0.291 -2.487 1.00 0.00 O ATOM 1437 CB GLU A 94 3.750 -0.676 0.574 1.00 0.00 C ATOM 1438 CG GLU A 94 2.671 -1.748 0.405 1.00 0.00 C ATOM 1439 CD GLU A 94 3.236 -3.142 0.686 1.00 0.00 C ATOM 1440 OE1 GLU A 94 3.187 -3.546 1.868 1.00 0.00 O ATOM 1441 OE2 GLU A 94 3.702 -3.772 -0.287 1.00 0.00 O ATOM 0 H GLU A 94 1.851 0.765 1.265 1.00 0.00 H new ATOM 0 HA GLU A 94 4.233 1.271 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.702 -1.051 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.889 -0.459 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.841 -1.544 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.272 -1.711 -0.609 1.00 0.00 H new ATOM 1448 N SER A 95 1.747 0.088 -1.875 1.00 0.00 N ATOM 1449 CA SER A 95 1.279 -0.206 -3.219 1.00 0.00 C ATOM 1450 C SER A 95 1.530 0.994 -4.134 1.00 0.00 C ATOM 1451 O SER A 95 2.111 0.850 -5.208 1.00 0.00 O ATOM 1452 CB SER A 95 -0.207 -0.571 -3.217 1.00 0.00 C ATOM 1453 OG SER A 95 -1.012 0.468 -3.766 1.00 0.00 O ATOM 0 H SER A 95 1.016 0.105 -1.163 1.00 0.00 H new ATOM 0 HA SER A 95 1.835 -1.064 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.356 -1.486 -3.790 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.528 -0.778 -2.196 1.00 0.00 H new ATOM 0 HG SER A 95 -1.898 0.451 -3.348 1.00 0.00 H new ATOM 1459 N LEU A 96 1.079 2.153 -3.674 1.00 0.00 N ATOM 1460 CA LEU A 96 1.247 3.377 -4.438 1.00 0.00 C ATOM 1461 C LEU A 96 2.740 3.670 -4.602 1.00 0.00 C ATOM 1462 O LEU A 96 3.257 3.673 -5.719 1.00 0.00 O ATOM 1463 CB LEU A 96 0.464 4.522 -3.794 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.043 4.535 -4.057 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.338 4.719 -5.548 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.710 3.279 -3.492 1.00 0.00 C ATOM 0 H LEU A 96 0.598 2.269 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 96 0.832 3.261 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.624 4.485 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.882 5.465 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.473 5.390 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.416 4.725 -5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.916 5.664 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.892 3.899 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.781 3.314 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.281 2.395 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.544 3.232 -2.416 1.00 0.00 H new ATOM 1478 N THR A 97 3.392 3.908 -3.474 1.00 0.00 N ATOM 1479 CA THR A 97 4.815 4.201 -3.479 1.00 0.00 C ATOM 1480 C THR A 97 5.532 3.343 -4.522 1.00 0.00 C ATOM 1481 O THR A 97 5.947 3.845 -5.566 1.00 0.00 O ATOM 1482 CB THR A 97 5.344 3.998 -2.057 1.00 0.00 C ATOM 1483 OG1 THR A 97 4.747 2.775 -1.636 1.00 0.00 O ATOM 1484 CG2 THR A 97 4.798 5.037 -1.075 1.00 0.00 C ATOM 0 H THR A 97 2.961 3.904 -2.550 1.00 0.00 H new ATOM 0 HA THR A 97 5.005 5.235 -3.768 1.00 0.00 H new ATOM 0 HB THR A 97 6.433 4.044 -2.065 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.940 2.967 -1.114 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.204 4.847 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.089 6.035 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.711 4.969 -1.041 1.00 0.00 H new