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 Single : A 17 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 20 GLN : amide:sc=-0.00941 X(o=-0.0094,f=-0.0043) USER MOD Single : A 26 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.74! C(o=-1.7!,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 133:sc= 0.0416 USER MOD Single : A 41 MET CE :methyl 157:sc= -2.27 (180deg=-3.36!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0726 USER MOD Single : A 48 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -138:sc= 1.34 USER MOD Single : A 56 MET CE :methyl -127:sc= -1.95 (180deg=-3.81!) 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= -3.19! C(o=-3.2!,f=-6.7!) USER MOD Single : A 68 GLN : amide:sc= -5.99! C(o=-6!,f=-3.1!) USER MOD Single : A 70 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.48) USER MOD Single : A 74 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.00095) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.2!) USER MOD Single : A 82 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 85 ASN : amide:sc=-0.00822 X(o=-0.0082,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -38:sc= -2.65 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 51:sc= 1.03 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N PRO A 15 -2.158 16.070 -7.626 1.00 0.00 N ATOM 191 CA PRO A 15 -3.393 15.388 -7.280 1.00 0.00 C ATOM 192 C PRO A 15 -3.655 14.215 -8.227 1.00 0.00 C ATOM 193 O PRO A 15 -3.395 14.310 -9.425 1.00 0.00 O ATOM 194 CB PRO A 15 -4.468 16.460 -7.352 1.00 0.00 C ATOM 195 CG PRO A 15 -3.877 17.589 -8.182 1.00 0.00 C ATOM 196 CD PRO A 15 -2.380 17.349 -8.294 1.00 0.00 C ATOM 0 HA PRO A 15 -3.362 14.940 -6.287 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.377 16.072 -7.812 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.739 16.809 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.335 17.616 -9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.075 18.553 -7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.062 17.312 -9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.814 18.149 -7.816 1.00 0.00 H new ATOM 204 N VAL A 16 -4.166 13.136 -7.653 1.00 0.00 N ATOM 205 CA VAL A 16 -4.466 11.945 -8.430 1.00 0.00 C ATOM 206 C VAL A 16 -5.436 12.308 -9.556 1.00 0.00 C ATOM 207 O VAL A 16 -6.191 13.272 -9.443 1.00 0.00 O ATOM 208 CB VAL A 16 -4.999 10.842 -7.514 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.854 10.126 -6.794 1.00 0.00 C ATOM 210 CG2 VAL A 16 -6.011 11.403 -6.512 1.00 0.00 C ATOM 0 H VAL A 16 -4.380 13.061 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.561 11.553 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.514 10.110 -8.136 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.260 9.347 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.186 9.677 -7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.299 10.844 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.374 10.598 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.531 12.165 -5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.849 11.845 -7.050 1.00 0.00 H new ATOM 220 N THR A 17 -5.384 11.516 -10.617 1.00 0.00 N ATOM 221 CA THR A 17 -6.248 11.741 -11.763 1.00 0.00 C ATOM 222 C THR A 17 -7.023 10.467 -12.105 1.00 0.00 C ATOM 223 O THR A 17 -6.669 9.380 -11.651 1.00 0.00 O ATOM 224 CB THR A 17 -5.382 12.254 -12.915 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.287 12.354 -14.012 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.350 11.224 -13.376 1.00 0.00 C ATOM 0 H THR A 17 -4.756 10.717 -10.707 1.00 0.00 H new ATOM 0 HA THR A 17 -7.004 12.495 -11.546 1.00 0.00 H new ATOM 0 HB THR A 17 -4.871 13.166 -12.606 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.809 12.682 -14.802 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.762 11.639 -14.195 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.689 10.974 -12.546 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.862 10.324 -13.716 1.00 0.00 H new ATOM 234 N GLY A 18 -8.065 10.644 -12.904 1.00 0.00 N ATOM 235 CA GLY A 18 -8.893 9.521 -13.312 1.00 0.00 C ATOM 236 C GLY A 18 -8.034 8.301 -13.650 1.00 0.00 C ATOM 237 O GLY A 18 -8.477 7.164 -13.495 1.00 0.00 O ATOM 0 H GLY A 18 -8.355 11.547 -13.280 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.590 9.269 -12.513 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.490 9.801 -14.180 1.00 0.00 H new ATOM 241 N GLU A 19 -6.821 8.578 -14.104 1.00 0.00 N ATOM 242 CA GLU A 19 -5.896 7.517 -14.464 1.00 0.00 C ATOM 243 C GLU A 19 -5.423 6.777 -13.211 1.00 0.00 C ATOM 244 O GLU A 19 -5.399 5.548 -13.184 1.00 0.00 O ATOM 245 CB GLU A 19 -4.709 8.070 -15.255 1.00 0.00 C ATOM 246 CG GLU A 19 -3.885 6.936 -15.870 1.00 0.00 C ATOM 247 CD GLU A 19 -3.161 7.408 -17.133 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.871 7.861 -18.058 1.00 0.00 O ATOM 249 OE2 GLU A 19 -1.916 7.305 -17.146 1.00 0.00 O ATOM 0 H GLU A 19 -6.457 9.522 -14.231 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.419 6.808 -15.105 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.069 8.732 -16.043 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.077 8.669 -14.599 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.158 6.574 -15.143 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.538 6.097 -16.112 1.00 0.00 H new ATOM 256 N GLN A 20 -5.058 7.557 -12.204 1.00 0.00 N ATOM 257 CA GLN A 20 -4.588 6.991 -10.951 1.00 0.00 C ATOM 258 C GLN A 20 -5.765 6.453 -10.136 1.00 0.00 C ATOM 259 O GLN A 20 -5.680 5.372 -9.554 1.00 0.00 O ATOM 260 CB GLN A 20 -3.791 8.022 -10.149 1.00 0.00 C ATOM 261 CG GLN A 20 -2.436 8.297 -10.802 1.00 0.00 C ATOM 262 CD GLN A 20 -1.402 8.729 -9.760 1.00 0.00 C ATOM 263 OE1 GLN A 20 -0.999 7.969 -8.895 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.997 9.989 -9.890 1.00 0.00 N ATOM 0 H GLN A 20 -5.078 8.576 -12.230 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.920 6.160 -11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.359 8.950 -10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.642 7.660 -9.132 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.087 7.401 -11.316 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.544 9.076 -11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.375 10.572 -10.637 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.308 10.373 -9.243 1.00 0.00 H new ATOM 273 N ILE A 21 -6.838 7.231 -10.120 1.00 0.00 N ATOM 274 CA ILE A 21 -8.031 6.845 -9.386 1.00 0.00 C ATOM 275 C ILE A 21 -8.354 5.379 -9.680 1.00 0.00 C ATOM 276 O ILE A 21 -8.202 4.520 -8.813 1.00 0.00 O ATOM 277 CB ILE A 21 -9.183 7.803 -9.696 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.990 9.143 -8.983 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.532 7.165 -9.361 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.324 9.871 -8.813 1.00 0.00 C ATOM 0 H ILE A 21 -6.906 8.127 -10.604 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.860 6.924 -8.312 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.179 8.005 -10.767 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.535 8.977 -8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.302 9.767 -9.553 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.334 7.867 -9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.663 6.259 -9.952 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.562 6.914 -8.301 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.158 10.820 -8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.764 10.057 -9.793 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.002 9.255 -8.222 1.00 0.00 H new ATOM 292 N GLU A 22 -8.794 5.137 -10.906 1.00 0.00 N ATOM 293 CA GLU A 22 -9.139 3.790 -11.326 1.00 0.00 C ATOM 294 C GLU A 22 -8.095 2.792 -10.819 1.00 0.00 C ATOM 295 O GLU A 22 -8.440 1.691 -10.392 1.00 0.00 O ATOM 296 CB GLU A 22 -9.283 3.708 -12.847 1.00 0.00 C ATOM 297 CG GLU A 22 -8.071 4.327 -13.546 1.00 0.00 C ATOM 298 CD GLU A 22 -7.281 3.266 -14.314 1.00 0.00 C ATOM 299 OE1 GLU A 22 -7.610 3.063 -15.503 1.00 0.00 O ATOM 300 OE2 GLU A 22 -6.366 2.680 -13.696 1.00 0.00 O ATOM 0 H GLU A 22 -8.920 5.852 -11.622 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.103 3.531 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.390 2.666 -13.150 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.191 4.225 -13.158 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.401 5.107 -14.232 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.425 4.804 -12.808 1.00 0.00 H new ATOM 307 N VAL A 23 -6.841 3.214 -10.884 1.00 0.00 N ATOM 308 CA VAL A 23 -5.745 2.371 -10.437 1.00 0.00 C ATOM 309 C VAL A 23 -5.847 2.168 -8.924 1.00 0.00 C ATOM 310 O VAL A 23 -5.889 1.034 -8.448 1.00 0.00 O ATOM 311 CB VAL A 23 -4.408 2.978 -10.870 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.283 2.558 -9.921 1.00 0.00 C ATOM 313 CG2 VAL A 23 -4.077 2.600 -12.315 1.00 0.00 C ATOM 0 H VAL A 23 -6.559 4.128 -11.239 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.806 1.387 -10.902 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.500 4.063 -10.821 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.344 3.002 -10.251 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.512 2.900 -8.912 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.191 1.472 -9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.122 3.044 -12.598 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.013 1.515 -12.402 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.860 2.971 -12.977 1.00 0.00 H new ATOM 323 N PHE A 24 -5.885 3.283 -8.210 1.00 0.00 N ATOM 324 CA PHE A 24 -5.981 3.242 -6.761 1.00 0.00 C ATOM 325 C PHE A 24 -7.105 2.304 -6.313 1.00 0.00 C ATOM 326 O PHE A 24 -6.880 1.398 -5.512 1.00 0.00 O ATOM 327 CB PHE A 24 -6.302 4.662 -6.293 1.00 0.00 C ATOM 328 CG PHE A 24 -5.469 5.127 -5.097 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.814 4.744 -3.838 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.383 5.921 -5.293 1.00 0.00 C ATOM 331 CE1 PHE A 24 -5.041 5.175 -2.728 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.609 6.352 -4.182 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.955 5.970 -2.924 1.00 0.00 C ATOM 0 H PHE A 24 -5.851 4.221 -8.608 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.046 2.876 -6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.144 5.351 -7.123 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.358 4.717 -6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.676 4.112 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.109 6.224 -6.293 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.315 4.872 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.746 6.983 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.367 6.298 -2.080 1.00 0.00 H new ATOM 343 N ALA A 25 -8.290 2.554 -6.850 1.00 0.00 N ATOM 344 CA ALA A 25 -9.449 1.744 -6.515 1.00 0.00 C ATOM 345 C ALA A 25 -9.024 0.279 -6.396 1.00 0.00 C ATOM 346 O ALA A 25 -9.078 -0.300 -5.313 1.00 0.00 O ATOM 347 CB ALA A 25 -10.538 1.952 -7.569 1.00 0.00 C ATOM 0 H ALA A 25 -8.473 3.306 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.864 2.046 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.408 1.345 -7.318 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.825 3.003 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.159 1.656 -8.547 1.00 0.00 H new ATOM 353 N ASN A 26 -8.612 -0.278 -7.526 1.00 0.00 N ATOM 354 CA ASN A 26 -8.179 -1.664 -7.561 1.00 0.00 C ATOM 355 C ASN A 26 -7.368 -1.974 -6.301 1.00 0.00 C ATOM 356 O ASN A 26 -7.590 -2.995 -5.651 1.00 0.00 O ATOM 357 CB ASN A 26 -7.285 -1.931 -8.775 1.00 0.00 C ATOM 358 CG ASN A 26 -8.034 -1.650 -10.079 1.00 0.00 C ATOM 359 OD1 ASN A 26 -9.092 -2.194 -10.347 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.427 -0.772 -10.873 1.00 0.00 N ATOM 0 H ASN A 26 -8.569 0.205 -8.423 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.067 -2.293 -7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.395 -1.305 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.947 -2.967 -8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.847 -0.518 -11.767 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.542 -0.353 -10.588 1.00 0.00 H new ATOM 367 N LYS A 27 -6.447 -1.073 -5.993 1.00 0.00 N ATOM 368 CA LYS A 27 -5.602 -1.237 -4.822 1.00 0.00 C ATOM 369 C LYS A 27 -6.467 -1.170 -3.561 1.00 0.00 C ATOM 370 O LYS A 27 -6.367 -2.031 -2.688 1.00 0.00 O ATOM 371 CB LYS A 27 -4.460 -0.220 -4.838 1.00 0.00 C ATOM 372 CG LYS A 27 -3.648 -0.328 -6.131 1.00 0.00 C ATOM 373 CD LYS A 27 -2.939 0.991 -6.445 1.00 0.00 C ATOM 374 CE LYS A 27 -1.420 0.825 -6.382 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.916 0.188 -7.620 1.00 0.00 N ATOM 0 H LYS A 27 -6.267 -0.227 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.125 -2.217 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.864 0.788 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.808 -0.386 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.913 -1.127 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.307 -0.597 -6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.230 1.337 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.255 1.756 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.947 1.798 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.150 0.218 -5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.117 0.083 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.354 -0.749 -7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.157 0.782 -8.439 1.00 0.00 H new ATOM 389 N LEU A 28 -7.298 -0.139 -3.506 1.00 0.00 N ATOM 390 CA LEU A 28 -8.180 0.052 -2.368 1.00 0.00 C ATOM 391 C LEU A 28 -9.011 -1.214 -2.154 1.00 0.00 C ATOM 392 O LEU A 28 -8.879 -1.883 -1.131 1.00 0.00 O ATOM 393 CB LEU A 28 -9.021 1.317 -2.547 1.00 0.00 C ATOM 394 CG LEU A 28 -9.611 1.917 -1.270 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.546 2.037 -0.177 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.290 3.258 -1.557 1.00 0.00 C ATOM 0 H LEU A 28 -7.379 0.573 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.599 0.210 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.403 2.075 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.840 1.091 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.380 1.239 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.992 2.466 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.148 1.049 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.739 2.681 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.701 3.663 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.559 3.956 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.094 3.112 -2.278 1.00 0.00 H new ATOM 408 N GLY A 29 -9.851 -1.505 -3.138 1.00 0.00 N ATOM 409 CA GLY A 29 -10.704 -2.680 -3.070 1.00 0.00 C ATOM 410 C GLY A 29 -11.870 -2.456 -2.105 1.00 0.00 C ATOM 411 O GLY A 29 -12.808 -1.724 -2.418 1.00 0.00 O ATOM 0 H GLY A 29 -9.959 -0.948 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.089 -2.912 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.119 -3.540 -2.745 1.00 0.00 H new ATOM 415 N GLU A 30 -11.772 -3.099 -0.951 1.00 0.00 N ATOM 416 CA GLU A 30 -12.807 -2.979 0.062 1.00 0.00 C ATOM 417 C GLU A 30 -12.337 -2.065 1.195 1.00 0.00 C ATOM 418 O GLU A 30 -13.080 -1.815 2.144 1.00 0.00 O ATOM 419 CB GLU A 30 -13.212 -4.354 0.598 1.00 0.00 C ATOM 420 CG GLU A 30 -12.078 -4.979 1.414 1.00 0.00 C ATOM 421 CD GLU A 30 -12.001 -6.489 1.178 1.00 0.00 C ATOM 422 OE1 GLU A 30 -12.960 -7.177 1.590 1.00 0.00 O ATOM 423 OE2 GLU A 30 -10.985 -6.920 0.591 1.00 0.00 O ATOM 0 H GLU A 30 -10.992 -3.705 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.688 -2.531 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.102 -4.258 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.472 -5.010 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.130 -4.516 1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.236 -4.780 2.474 1.00 0.00 H new ATOM 430 N GLN A 31 -11.108 -1.591 1.059 1.00 0.00 N ATOM 431 CA GLN A 31 -10.530 -0.711 2.060 1.00 0.00 C ATOM 432 C GLN A 31 -11.058 0.714 1.882 1.00 0.00 C ATOM 433 O GLN A 31 -10.682 1.618 2.627 1.00 0.00 O ATOM 434 CB GLN A 31 -9.002 -0.740 2.000 1.00 0.00 C ATOM 435 CG GLN A 31 -8.442 -1.894 2.835 1.00 0.00 C ATOM 436 CD GLN A 31 -7.838 -2.977 1.938 1.00 0.00 C ATOM 437 OE1 GLN A 31 -8.213 -3.149 0.790 1.00 0.00 O ATOM 438 NE2 GLN A 31 -6.884 -3.695 2.524 1.00 0.00 N ATOM 0 H GLN A 31 -10.496 -1.800 0.270 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.829 -1.069 3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.677 -0.844 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.602 0.206 2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.681 -1.517 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.235 -2.324 3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.618 -3.499 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.419 -4.442 2.008 1.00 0.00 H new ATOM 447 N TRP A 32 -11.922 0.871 0.890 1.00 0.00 N ATOM 448 CA TRP A 32 -12.506 2.170 0.604 1.00 0.00 C ATOM 449 C TRP A 32 -13.314 2.606 1.828 1.00 0.00 C ATOM 450 O TRP A 32 -13.429 3.798 2.109 1.00 0.00 O ATOM 451 CB TRP A 32 -13.340 2.127 -0.678 1.00 0.00 C ATOM 452 CG TRP A 32 -14.670 1.384 -0.530 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.920 0.087 -0.759 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.929 1.949 -0.108 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.243 -0.223 -0.517 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.876 0.946 -0.109 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.256 3.266 0.261 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.212 1.153 0.252 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.596 3.457 0.619 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.562 2.457 0.624 1.00 0.00 C ATOM 0 H TRP A 32 -12.232 0.119 0.274 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.727 2.910 0.420 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.540 3.148 -1.004 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.755 1.650 -1.464 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.179 -0.626 -1.091 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.677 -1.141 -0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.531 4.067 0.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.934 0.350 0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.901 4.451 0.912 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.577 2.685 0.913 1.00 0.00 H new ATOM 471 N LYS A 33 -13.853 1.615 2.524 1.00 0.00 N ATOM 472 CA LYS A 33 -14.646 1.881 3.712 1.00 0.00 C ATOM 473 C LYS A 33 -13.713 2.133 4.898 1.00 0.00 C ATOM 474 O LYS A 33 -14.155 2.575 5.957 1.00 0.00 O ATOM 475 CB LYS A 33 -15.650 0.751 3.949 1.00 0.00 C ATOM 476 CG LYS A 33 -16.634 1.117 5.063 1.00 0.00 C ATOM 477 CD LYS A 33 -17.724 0.052 5.203 1.00 0.00 C ATOM 478 CE LYS A 33 -19.102 0.696 5.366 1.00 0.00 C ATOM 479 NZ LYS A 33 -19.944 -0.107 6.281 1.00 0.00 N ATOM 0 H LYS A 33 -13.756 0.627 2.288 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.242 2.784 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.197 0.546 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.119 -0.163 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.098 1.221 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.090 2.083 4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.722 -0.593 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.510 -0.581 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.993 1.708 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.588 0.780 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.876 0.344 6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.062 -1.065 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.486 -0.165 7.213 1.00 0.00 H new ATOM 493 N ILE A 34 -12.439 1.842 4.680 1.00 0.00 N ATOM 494 CA ILE A 34 -11.439 2.031 5.717 1.00 0.00 C ATOM 495 C ILE A 34 -10.801 3.412 5.557 1.00 0.00 C ATOM 496 O ILE A 34 -10.257 3.963 6.514 1.00 0.00 O ATOM 497 CB ILE A 34 -10.430 0.882 5.705 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.131 -0.465 5.894 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.330 1.107 6.745 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.182 -1.625 5.586 1.00 0.00 C ATOM 0 H ILE A 34 -12.076 1.476 3.800 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.903 2.005 6.703 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.949 0.860 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.494 -0.550 6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.002 -0.520 5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.626 0.275 6.716 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.804 2.036 6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.775 1.170 7.738 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.705 -2.571 5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.840 -1.551 4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.324 -1.581 6.257 1.00 0.00 H new ATOM 512 N LEU A 35 -10.888 3.932 4.342 1.00 0.00 N ATOM 513 CA LEU A 35 -10.325 5.238 4.045 1.00 0.00 C ATOM 514 C LEU A 35 -11.434 6.291 4.095 1.00 0.00 C ATOM 515 O LEU A 35 -11.158 7.488 4.137 1.00 0.00 O ATOM 516 CB LEU A 35 -9.567 5.206 2.716 1.00 0.00 C ATOM 517 CG LEU A 35 -8.044 5.101 2.814 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.378 5.559 1.515 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.519 5.868 4.029 1.00 0.00 C ATOM 0 H LEU A 35 -11.340 3.473 3.551 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.588 5.515 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.933 4.361 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.814 6.109 2.158 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.782 4.053 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.296 5.474 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.719 4.932 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.644 6.597 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.434 5.777 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.792 6.920 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.957 5.454 4.937 1.00 0.00 H new ATOM 531 N ALA A 36 -12.667 5.805 4.088 1.00 0.00 N ATOM 532 CA ALA A 36 -13.820 6.688 4.132 1.00 0.00 C ATOM 533 C ALA A 36 -13.802 7.479 5.442 1.00 0.00 C ATOM 534 O ALA A 36 -13.962 8.698 5.438 1.00 0.00 O ATOM 535 CB ALA A 36 -15.100 5.867 3.965 1.00 0.00 C ATOM 0 H ALA A 36 -12.892 4.811 4.053 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.784 7.406 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.964 6.530 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.077 5.348 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.172 5.137 4.771 1.00 0.00 H new ATOM 541 N PRO A 37 -13.600 6.732 6.561 1.00 0.00 N ATOM 542 CA PRO A 37 -13.559 7.350 7.876 1.00 0.00 C ATOM 543 C PRO A 37 -12.239 8.092 8.092 1.00 0.00 C ATOM 544 O PRO A 37 -12.070 8.787 9.092 1.00 0.00 O ATOM 545 CB PRO A 37 -13.764 6.205 8.855 1.00 0.00 C ATOM 546 CG PRO A 37 -13.448 4.934 8.082 1.00 0.00 C ATOM 547 CD PRO A 37 -13.407 5.285 6.604 1.00 0.00 C ATOM 0 HA PRO A 37 -14.328 8.111 8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.109 6.309 9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.787 6.190 9.230 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.492 4.520 8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.205 4.173 8.273 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.456 4.999 6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.189 4.765 6.052 1.00 0.00 H new ATOM 555 N TYR A 38 -11.337 7.919 7.137 1.00 0.00 N ATOM 556 CA TYR A 38 -10.037 8.564 7.210 1.00 0.00 C ATOM 557 C TYR A 38 -9.900 9.645 6.136 1.00 0.00 C ATOM 558 O TYR A 38 -8.883 10.335 6.071 1.00 0.00 O ATOM 559 CB TYR A 38 -9.005 7.465 6.945 1.00 0.00 C ATOM 560 CG TYR A 38 -8.604 6.675 8.192 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.417 5.662 8.659 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.429 6.975 8.851 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.039 4.918 9.832 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.051 6.231 10.025 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.875 5.240 10.458 1.00 0.00 C ATOM 566 OH TYR A 38 -7.518 4.537 11.566 1.00 0.00 O ATOM 0 H TYR A 38 -11.481 7.341 6.309 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.900 9.041 8.180 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.407 6.774 6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.113 7.916 6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.337 5.427 8.144 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.793 7.768 8.486 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.666 4.122 10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.134 6.455 10.549 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.578 4.270 11.495 1.00 0.00 H new ATOM 576 N LEU A 39 -10.938 9.759 5.320 1.00 0.00 N ATOM 577 CA LEU A 39 -10.946 10.744 4.253 1.00 0.00 C ATOM 578 C LEU A 39 -11.872 11.899 4.638 1.00 0.00 C ATOM 579 O LEU A 39 -12.111 12.802 3.837 1.00 0.00 O ATOM 580 CB LEU A 39 -11.305 10.086 2.919 1.00 0.00 C ATOM 581 CG LEU A 39 -10.127 9.618 2.063 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.076 8.908 2.918 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.606 8.745 0.901 1.00 0.00 C ATOM 0 H LEU A 39 -11.779 9.185 5.377 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.950 11.166 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.945 9.227 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.894 10.793 2.335 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.649 10.497 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.249 8.585 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.704 9.593 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.525 8.039 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.749 8.426 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.123 7.869 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.288 9.318 0.273 1.00 0.00 H new ATOM 595 N GLU A 40 -12.369 11.834 5.864 1.00 0.00 N ATOM 596 CA GLU A 40 -13.264 12.863 6.365 1.00 0.00 C ATOM 597 C GLU A 40 -14.474 13.011 5.440 1.00 0.00 C ATOM 598 O GLU A 40 -14.848 14.124 5.076 1.00 0.00 O ATOM 599 CB GLU A 40 -12.530 14.196 6.526 1.00 0.00 C ATOM 600 CG GLU A 40 -11.216 14.011 7.287 1.00 0.00 C ATOM 601 CD GLU A 40 -10.492 15.347 7.464 1.00 0.00 C ATOM 602 OE1 GLU A 40 -11.200 16.377 7.493 1.00 0.00 O ATOM 603 OE2 GLU A 40 -9.247 15.308 7.567 1.00 0.00 O ATOM 0 H GLU A 40 -12.169 11.084 6.526 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.620 12.560 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.328 14.625 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.166 14.903 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.416 13.570 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.574 13.314 6.748 1.00 0.00 H new ATOM 610 N MET A 41 -15.051 11.872 5.087 1.00 0.00 N ATOM 611 CA MET A 41 -16.211 11.861 4.212 1.00 0.00 C ATOM 612 C MET A 41 -17.507 11.961 5.018 1.00 0.00 C ATOM 613 O MET A 41 -17.474 12.147 6.234 1.00 0.00 O ATOM 614 CB MET A 41 -16.219 10.569 3.392 1.00 0.00 C ATOM 615 CG MET A 41 -14.957 10.457 2.533 1.00 0.00 C ATOM 616 SD MET A 41 -14.856 11.843 1.412 1.00 0.00 S ATOM 617 CE MET A 41 -15.290 11.034 -0.119 1.00 0.00 C ATOM 0 H MET A 41 -14.737 10.950 5.391 1.00 0.00 H new ATOM 0 HA MET A 41 -16.150 12.724 3.548 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.286 9.710 4.060 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.102 10.545 2.753 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.074 10.430 3.171 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.972 9.524 1.970 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.671 11.772 -0.825 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.407 10.552 -0.539 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.057 10.283 0.071 1.00 0.00 H new ATOM 627 N LYS A 42 -18.619 11.834 4.309 1.00 0.00 N ATOM 628 CA LYS A 42 -19.924 11.909 4.943 1.00 0.00 C ATOM 629 C LYS A 42 -20.546 10.511 4.986 1.00 0.00 C ATOM 630 O LYS A 42 -20.518 9.785 3.994 1.00 0.00 O ATOM 631 CB LYS A 42 -20.800 12.951 4.245 1.00 0.00 C ATOM 632 CG LYS A 42 -20.188 14.348 4.359 1.00 0.00 C ATOM 633 CD LYS A 42 -20.763 15.102 5.560 1.00 0.00 C ATOM 634 CE LYS A 42 -20.179 16.514 5.651 1.00 0.00 C ATOM 635 NZ LYS A 42 -21.255 17.506 5.872 1.00 0.00 N ATOM 0 H LYS A 42 -18.643 11.680 3.301 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.828 12.248 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -20.918 12.687 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.796 12.949 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.106 14.268 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.382 14.910 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.848 15.158 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.544 14.554 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.457 16.564 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.640 16.751 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -20.842 18.459 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.929 17.469 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.751 17.288 6.760 1.00 0.00 H new ATOM 649 N ASP A 43 -21.093 10.177 6.146 1.00 0.00 N ATOM 650 CA ASP A 43 -21.720 8.880 6.331 1.00 0.00 C ATOM 651 C ASP A 43 -22.624 8.580 5.133 1.00 0.00 C ATOM 652 O ASP A 43 -22.458 7.559 4.467 1.00 0.00 O ATOM 653 CB ASP A 43 -22.586 8.862 7.592 1.00 0.00 C ATOM 654 CG ASP A 43 -21.816 8.993 8.908 1.00 0.00 C ATOM 655 OD1 ASP A 43 -20.605 8.682 8.890 1.00 0.00 O ATOM 656 OD2 ASP A 43 -22.454 9.402 9.901 1.00 0.00 O ATOM 0 H ASP A 43 -21.115 10.782 6.967 1.00 0.00 H new ATOM 0 HA ASP A 43 -20.931 8.134 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -23.309 9.675 7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.153 7.931 7.612 1.00 0.00 H new ATOM 661 N SER A 44 -23.559 9.487 4.896 1.00 0.00 N ATOM 662 CA SER A 44 -24.489 9.332 3.790 1.00 0.00 C ATOM 663 C SER A 44 -23.741 8.864 2.540 1.00 0.00 C ATOM 664 O SER A 44 -24.171 7.927 1.870 1.00 0.00 O ATOM 665 CB SER A 44 -25.231 10.640 3.507 1.00 0.00 C ATOM 666 OG SER A 44 -24.345 11.680 3.102 1.00 0.00 O ATOM 0 H SER A 44 -23.693 10.332 5.451 1.00 0.00 H new ATOM 0 HA SER A 44 -25.228 8.580 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.975 10.474 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 44 -25.771 10.951 4.401 1.00 0.00 H new ATOM 0 HG SER A 44 -24.857 12.497 2.929 1.00 0.00 H new ATOM 672 N GLU A 45 -22.635 9.539 2.263 1.00 0.00 N ATOM 673 CA GLU A 45 -21.824 9.205 1.105 1.00 0.00 C ATOM 674 C GLU A 45 -21.400 7.736 1.161 1.00 0.00 C ATOM 675 O GLU A 45 -21.631 6.983 0.216 1.00 0.00 O ATOM 676 CB GLU A 45 -20.605 10.124 1.005 1.00 0.00 C ATOM 677 CG GLU A 45 -20.777 11.142 -0.123 1.00 0.00 C ATOM 678 CD GLU A 45 -20.841 10.447 -1.484 1.00 0.00 C ATOM 679 OE1 GLU A 45 -19.755 10.087 -1.989 1.00 0.00 O ATOM 680 OE2 GLU A 45 -21.973 10.291 -1.990 1.00 0.00 O ATOM 0 H GLU A 45 -22.282 10.316 2.821 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.426 9.356 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.460 10.645 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.709 9.528 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.688 11.718 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.947 11.848 -0.110 1.00 0.00 H new ATOM 687 N ILE A 46 -20.786 7.372 2.278 1.00 0.00 N ATOM 688 CA ILE A 46 -20.328 6.007 2.469 1.00 0.00 C ATOM 689 C ILE A 46 -21.426 5.038 2.026 1.00 0.00 C ATOM 690 O ILE A 46 -21.188 4.160 1.198 1.00 0.00 O ATOM 691 CB ILE A 46 -19.865 5.794 3.912 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.601 6.604 4.207 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.676 4.306 4.213 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.178 6.447 5.669 1.00 0.00 C ATOM 0 H ILE A 46 -20.595 7.999 3.059 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.456 5.807 1.846 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.645 6.161 4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.793 6.275 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.780 7.657 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.347 4.182 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.621 3.783 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.925 3.891 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.277 7.033 5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -18.979 6.800 6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -17.976 5.397 5.879 1.00 0.00 H new ATOM 706 N ARG A 47 -22.606 5.229 2.599 1.00 0.00 N ATOM 707 CA ARG A 47 -23.741 4.383 2.273 1.00 0.00 C ATOM 708 C ARG A 47 -24.153 4.585 0.814 1.00 0.00 C ATOM 709 O ARG A 47 -24.529 3.632 0.133 1.00 0.00 O ATOM 710 CB ARG A 47 -24.935 4.690 3.180 1.00 0.00 C ATOM 711 CG ARG A 47 -24.664 4.235 4.616 1.00 0.00 C ATOM 712 CD ARG A 47 -25.952 3.765 5.294 1.00 0.00 C ATOM 713 NE ARG A 47 -25.630 3.026 6.535 1.00 0.00 N ATOM 714 CZ ARG A 47 -26.545 2.616 7.425 1.00 0.00 C ATOM 715 NH1 ARG A 47 -27.843 2.871 7.216 1.00 0.00 N ATOM 716 NH2 ARG A 47 -26.161 1.951 8.522 1.00 0.00 N ATOM 0 H ARG A 47 -22.800 5.957 3.287 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.438 3.348 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.141 5.760 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.825 4.190 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -23.934 3.426 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.228 5.056 5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -26.585 4.622 5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.517 3.125 4.616 1.00 0.00 H new ATOM 0 HE ARG A 47 -24.650 2.815 6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.135 3.377 6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -28.539 2.559 7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.172 1.756 8.680 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -26.857 1.639 9.199 1.00 0.00 H new ATOM 730 N GLN A 48 -24.069 5.833 0.376 1.00 0.00 N ATOM 731 CA GLN A 48 -24.429 6.173 -0.990 1.00 0.00 C ATOM 732 C GLN A 48 -23.647 5.303 -1.977 1.00 0.00 C ATOM 733 O GLN A 48 -24.231 4.486 -2.687 1.00 0.00 O ATOM 734 CB GLN A 48 -24.194 7.660 -1.265 1.00 0.00 C ATOM 735 CG GLN A 48 -25.450 8.315 -1.843 1.00 0.00 C ATOM 736 CD GLN A 48 -26.468 8.617 -0.741 1.00 0.00 C ATOM 737 OE1 GLN A 48 -26.361 9.590 -0.012 1.00 0.00 O ATOM 738 NE2 GLN A 48 -27.458 7.732 -0.661 1.00 0.00 N ATOM 0 H GLN A 48 -23.757 6.621 0.943 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.492 5.976 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.909 8.164 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.364 7.778 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.180 9.238 -2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.899 7.656 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -27.487 6.940 -1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -28.188 7.846 0.042 1.00 0.00 H new ATOM 747 N ILE A 49 -22.338 5.508 -1.988 1.00 0.00 N ATOM 748 CA ILE A 49 -21.470 4.752 -2.876 1.00 0.00 C ATOM 749 C ILE A 49 -21.909 3.287 -2.886 1.00 0.00 C ATOM 750 O ILE A 49 -22.218 2.735 -3.941 1.00 0.00 O ATOM 751 CB ILE A 49 -20.003 4.952 -2.489 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.555 6.390 -2.761 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.107 3.930 -3.191 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.510 6.841 -1.739 1.00 0.00 C ATOM 0 H ILE A 49 -21.857 6.186 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.559 5.118 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.906 4.782 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -19.140 6.461 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.417 7.056 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.070 4.094 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.410 2.923 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.202 4.044 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.209 7.866 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.936 6.791 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.640 6.187 -1.796 1.00 0.00 H new ATOM 766 N GLU A 50 -21.924 2.698 -1.699 1.00 0.00 N ATOM 767 CA GLU A 50 -22.320 1.308 -1.558 1.00 0.00 C ATOM 768 C GLU A 50 -23.578 1.028 -2.382 1.00 0.00 C ATOM 769 O GLU A 50 -23.664 0.008 -3.064 1.00 0.00 O ATOM 770 CB GLU A 50 -22.536 0.946 -0.087 1.00 0.00 C ATOM 771 CG GLU A 50 -21.348 0.154 0.463 1.00 0.00 C ATOM 772 CD GLU A 50 -21.821 -1.004 1.344 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.399 -1.953 0.772 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.594 -0.914 2.570 1.00 0.00 O ATOM 0 H GLU A 50 -21.668 3.159 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.514 0.681 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.674 1.855 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.448 0.359 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.751 -0.233 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.702 0.815 1.041 1.00 0.00 H new ATOM 781 N CYS A 51 -24.523 1.953 -2.293 1.00 0.00 N ATOM 782 CA CYS A 51 -25.773 1.819 -3.021 1.00 0.00 C ATOM 783 C CYS A 51 -25.484 2.016 -4.511 1.00 0.00 C ATOM 784 O CYS A 51 -25.879 1.196 -5.338 1.00 0.00 O ATOM 785 CB CYS A 51 -26.833 2.797 -2.511 1.00 0.00 C ATOM 786 SG CYS A 51 -28.470 2.363 -3.205 1.00 0.00 S ATOM 0 H CYS A 51 -24.448 2.798 -1.727 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.186 0.823 -2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.871 2.769 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.567 3.815 -2.795 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.363 3.198 -2.764 1.00 0.00 H new ATOM 792 N ASP A 52 -24.797 3.110 -4.808 1.00 0.00 N ATOM 793 CA ASP A 52 -24.451 3.425 -6.183 1.00 0.00 C ATOM 794 C ASP A 52 -24.020 2.146 -6.903 1.00 0.00 C ATOM 795 O ASP A 52 -24.618 1.762 -7.906 1.00 0.00 O ATOM 796 CB ASP A 52 -23.287 4.417 -6.244 1.00 0.00 C ATOM 797 CG ASP A 52 -23.582 5.714 -7.001 1.00 0.00 C ATOM 798 OD1 ASP A 52 -23.499 5.675 -8.247 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.884 6.715 -6.315 1.00 0.00 O ATOM 0 H ASP A 52 -24.471 3.789 -4.120 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.327 3.866 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -22.989 4.668 -5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.435 3.926 -6.713 1.00 0.00 H new ATOM 804 N SER A 53 -22.985 1.521 -6.361 1.00 0.00 N ATOM 805 CA SER A 53 -22.467 0.292 -6.939 1.00 0.00 C ATOM 806 C SER A 53 -22.269 -0.758 -5.845 1.00 0.00 C ATOM 807 O SER A 53 -21.965 -0.420 -4.702 1.00 0.00 O ATOM 808 CB SER A 53 -21.150 0.543 -7.678 1.00 0.00 C ATOM 809 OG SER A 53 -21.242 1.649 -8.571 1.00 0.00 O ATOM 0 H SER A 53 -22.491 1.842 -5.528 1.00 0.00 H new ATOM 0 HA SER A 53 -23.194 -0.078 -7.662 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.357 0.727 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.871 -0.351 -8.236 1.00 0.00 H new ATOM 0 HG SER A 53 -20.787 1.430 -9.411 1.00 0.00 H new ATOM 815 N GLU A 54 -22.450 -2.012 -6.233 1.00 0.00 N ATOM 816 CA GLU A 54 -22.295 -3.114 -5.299 1.00 0.00 C ATOM 817 C GLU A 54 -20.908 -3.744 -5.445 1.00 0.00 C ATOM 818 O GLU A 54 -20.518 -4.588 -4.640 1.00 0.00 O ATOM 819 CB GLU A 54 -23.395 -4.159 -5.497 1.00 0.00 C ATOM 820 CG GLU A 54 -23.380 -4.707 -6.925 1.00 0.00 C ATOM 821 CD GLU A 54 -23.986 -6.111 -6.981 1.00 0.00 C ATOM 822 OE1 GLU A 54 -23.727 -6.878 -6.029 1.00 0.00 O ATOM 823 OE2 GLU A 54 -24.694 -6.385 -7.974 1.00 0.00 O ATOM 0 H GLU A 54 -22.703 -2.289 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.389 -2.722 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.257 -4.976 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -24.367 -3.714 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.939 -4.039 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -22.356 -4.734 -7.297 1.00 0.00 H new ATOM 830 N ASP A 55 -20.202 -3.308 -6.477 1.00 0.00 N ATOM 831 CA ASP A 55 -18.867 -3.818 -6.739 1.00 0.00 C ATOM 832 C ASP A 55 -17.851 -3.022 -5.918 1.00 0.00 C ATOM 833 O ASP A 55 -17.911 -1.794 -5.869 1.00 0.00 O ATOM 834 CB ASP A 55 -18.500 -3.669 -8.217 1.00 0.00 C ATOM 835 CG ASP A 55 -19.339 -4.511 -9.180 1.00 0.00 C ATOM 836 OD1 ASP A 55 -20.283 -5.165 -8.687 1.00 0.00 O ATOM 837 OD2 ASP A 55 -19.017 -4.482 -10.388 1.00 0.00 O ATOM 0 H ASP A 55 -20.529 -2.607 -7.142 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.851 -4.874 -6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.598 -2.620 -8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.451 -3.936 -8.344 1.00 0.00 H new ATOM 842 N MET A 56 -16.941 -3.753 -5.291 1.00 0.00 N ATOM 843 CA MET A 56 -15.913 -3.131 -4.474 1.00 0.00 C ATOM 844 C MET A 56 -15.121 -2.100 -5.280 1.00 0.00 C ATOM 845 O MET A 56 -15.019 -0.941 -4.882 1.00 0.00 O ATOM 846 CB MET A 56 -14.962 -4.206 -3.944 1.00 0.00 C ATOM 847 CG MET A 56 -15.303 -4.576 -2.499 1.00 0.00 C ATOM 848 SD MET A 56 -16.701 -5.684 -2.467 1.00 0.00 S ATOM 849 CE MET A 56 -17.944 -4.596 -1.789 1.00 0.00 C ATOM 0 H MET A 56 -16.894 -4.771 -5.332 1.00 0.00 H new ATOM 0 HA MET A 56 -16.397 -2.619 -3.642 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.023 -5.093 -4.574 1.00 0.00 H new ATOM 0 HB3 MET A 56 -13.934 -3.846 -3.998 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.443 -5.048 -2.023 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.529 -3.676 -1.928 1.00 0.00 H new ATOM 0 HE1 MET A 56 -18.408 -5.068 -0.923 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.480 -3.658 -1.486 1.00 0.00 H new ATOM 0 HE3 MET A 56 -18.704 -4.397 -2.544 1.00 0.00 H new ATOM 859 N LYS A 57 -14.581 -2.559 -6.399 1.00 0.00 N ATOM 860 CA LYS A 57 -13.801 -1.691 -7.265 1.00 0.00 C ATOM 861 C LYS A 57 -14.541 -0.366 -7.451 1.00 0.00 C ATOM 862 O LYS A 57 -13.983 0.702 -7.202 1.00 0.00 O ATOM 863 CB LYS A 57 -13.471 -2.402 -8.579 1.00 0.00 C ATOM 864 CG LYS A 57 -12.362 -3.437 -8.380 1.00 0.00 C ATOM 865 CD LYS A 57 -11.967 -4.080 -9.711 1.00 0.00 C ATOM 866 CE LYS A 57 -11.902 -5.604 -9.585 1.00 0.00 C ATOM 867 NZ LYS A 57 -11.573 -6.218 -10.891 1.00 0.00 N ATOM 0 H LYS A 57 -14.668 -3.521 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.840 -1.458 -6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.365 -2.892 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.160 -1.670 -9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.491 -2.960 -7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.699 -4.207 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.689 -3.805 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.998 -3.696 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.151 -5.882 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.858 -5.986 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.533 -7.252 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.304 -5.967 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.650 -5.866 -11.217 1.00 0.00 H new ATOM 881 N MET A 58 -15.787 -0.477 -7.888 1.00 0.00 N ATOM 882 CA MET A 58 -16.610 0.700 -8.111 1.00 0.00 C ATOM 883 C MET A 58 -16.714 1.545 -6.840 1.00 0.00 C ATOM 884 O MET A 58 -16.362 2.723 -6.842 1.00 0.00 O ATOM 885 CB MET A 58 -18.009 0.269 -8.554 1.00 0.00 C ATOM 886 CG MET A 58 -18.088 0.145 -10.077 1.00 0.00 C ATOM 887 SD MET A 58 -19.235 1.348 -10.729 1.00 0.00 S ATOM 888 CE MET A 58 -18.193 2.797 -10.736 1.00 0.00 C ATOM 0 H MET A 58 -16.247 -1.364 -8.094 1.00 0.00 H new ATOM 0 HA MET A 58 -16.143 1.304 -8.889 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.262 -0.686 -8.094 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.744 0.995 -8.206 1.00 0.00 H new ATOM 0 HG2 MET A 58 -17.101 0.297 -10.514 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.407 -0.860 -10.352 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.756 3.648 -11.118 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.858 3.009 -9.721 1.00 0.00 H new ATOM 0 HE3 MET A 58 -17.327 2.619 -11.374 1.00 0.00 H new ATOM 898 N ARG A 59 -17.200 0.909 -5.783 1.00 0.00 N ATOM 899 CA ARG A 59 -17.355 1.587 -4.508 1.00 0.00 C ATOM 900 C ARG A 59 -16.098 2.396 -4.180 1.00 0.00 C ATOM 901 O ARG A 59 -16.190 3.549 -3.762 1.00 0.00 O ATOM 902 CB ARG A 59 -17.617 0.586 -3.380 1.00 0.00 C ATOM 903 CG ARG A 59 -18.994 -0.065 -3.534 1.00 0.00 C ATOM 904 CD ARG A 59 -19.206 -1.152 -2.479 1.00 0.00 C ATOM 905 NE ARG A 59 -20.629 -1.559 -2.452 1.00 0.00 N ATOM 906 CZ ARG A 59 -21.123 -2.512 -1.649 1.00 0.00 C ATOM 907 NH1 ARG A 59 -20.312 -3.161 -0.803 1.00 0.00 N ATOM 908 NH2 ARG A 59 -22.427 -2.815 -1.692 1.00 0.00 N ATOM 0 H ARG A 59 -17.491 -0.069 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.211 2.257 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.845 -0.183 -3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.556 1.093 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.771 0.693 -3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.087 -0.497 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.577 -2.014 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.906 -0.782 -1.498 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.274 -1.085 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.319 -2.930 -0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.687 -3.886 -0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.045 -2.321 -2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.802 -3.540 -1.081 1.00 0.00 H new ATOM 922 N ALA A 60 -14.954 1.759 -4.383 1.00 0.00 N ATOM 923 CA ALA A 60 -13.681 2.406 -4.114 1.00 0.00 C ATOM 924 C ALA A 60 -13.501 3.586 -5.071 1.00 0.00 C ATOM 925 O ALA A 60 -13.268 4.713 -4.636 1.00 0.00 O ATOM 926 CB ALA A 60 -12.552 1.380 -4.234 1.00 0.00 C ATOM 0 H ALA A 60 -14.882 0.803 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.657 2.800 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.597 1.865 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.711 0.578 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.543 0.965 -5.242 1.00 0.00 H new ATOM 932 N LYS A 61 -13.615 3.287 -6.357 1.00 0.00 N ATOM 933 CA LYS A 61 -13.467 4.309 -7.379 1.00 0.00 C ATOM 934 C LYS A 61 -14.367 5.498 -7.038 1.00 0.00 C ATOM 935 O LYS A 61 -13.884 6.615 -6.857 1.00 0.00 O ATOM 936 CB LYS A 61 -13.727 3.720 -8.767 1.00 0.00 C ATOM 937 CG LYS A 61 -13.198 4.647 -9.863 1.00 0.00 C ATOM 938 CD LYS A 61 -14.170 4.710 -11.043 1.00 0.00 C ATOM 939 CE LYS A 61 -13.697 5.721 -12.090 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.465 5.564 -13.346 1.00 0.00 N ATOM 0 H LYS A 61 -13.808 2.351 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.442 4.680 -7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.247 2.745 -8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.797 3.562 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.048 5.647 -9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.226 4.293 -10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.259 3.724 -11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.162 4.987 -10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.818 6.734 -11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.634 5.580 -12.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.132 6.257 -14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.328 4.603 -13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.475 5.721 -13.157 1.00 0.00 H new ATOM 954 N GLN A 62 -15.660 5.218 -6.960 1.00 0.00 N ATOM 955 CA GLN A 62 -16.632 6.251 -6.644 1.00 0.00 C ATOM 956 C GLN A 62 -16.099 7.159 -5.534 1.00 0.00 C ATOM 957 O GLN A 62 -16.115 8.382 -5.665 1.00 0.00 O ATOM 958 CB GLN A 62 -17.977 5.637 -6.252 1.00 0.00 C ATOM 959 CG GLN A 62 -18.776 5.231 -7.492 1.00 0.00 C ATOM 960 CD GLN A 62 -19.860 6.263 -7.808 1.00 0.00 C ATOM 961 OE1 GLN A 62 -21.048 6.008 -7.697 1.00 0.00 O ATOM 962 NE2 GLN A 62 -19.387 7.440 -8.207 1.00 0.00 N ATOM 0 H GLN A 62 -16.057 4.291 -7.110 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.793 6.856 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.812 4.765 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.550 6.354 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -18.105 5.131 -8.345 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.234 4.255 -7.330 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -18.380 7.587 -8.278 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -20.031 8.195 -8.442 1.00 0.00 H new ATOM 971 N LEU A 63 -15.640 6.526 -4.464 1.00 0.00 N ATOM 972 CA LEU A 63 -15.104 7.261 -3.332 1.00 0.00 C ATOM 973 C LEU A 63 -13.946 8.143 -3.804 1.00 0.00 C ATOM 974 O LEU A 63 -14.022 9.368 -3.724 1.00 0.00 O ATOM 975 CB LEU A 63 -14.725 6.302 -2.201 1.00 0.00 C ATOM 976 CG LEU A 63 -13.896 6.901 -1.063 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.753 7.807 -0.178 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.200 5.803 -0.256 1.00 0.00 C ATOM 0 H LEU A 63 -15.629 5.512 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.862 7.925 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.641 5.890 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -14.169 5.468 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.115 7.524 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -14.139 8.220 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.162 8.620 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.570 7.228 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.617 6.255 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.948 5.135 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.538 5.235 -0.910 1.00 0.00 H new ATOM 990 N LEU A 64 -12.901 7.485 -4.284 1.00 0.00 N ATOM 991 CA LEU A 64 -11.729 8.194 -4.769 1.00 0.00 C ATOM 992 C LEU A 64 -12.174 9.426 -5.559 1.00 0.00 C ATOM 993 O LEU A 64 -11.612 10.508 -5.398 1.00 0.00 O ATOM 994 CB LEU A 64 -10.822 7.251 -5.561 1.00 0.00 C ATOM 995 CG LEU A 64 -9.927 6.327 -4.732 1.00 0.00 C ATOM 996 CD1 LEU A 64 -10.223 6.473 -3.238 1.00 0.00 C ATOM 997 CD2 LEU A 64 -10.052 4.876 -5.202 1.00 0.00 C ATOM 0 H LEU A 64 -12.841 6.469 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.127 8.551 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.447 6.635 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.187 7.852 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.890 6.627 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.574 5.806 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.042 7.503 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.264 6.215 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.406 4.240 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.086 4.547 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.753 4.805 -6.248 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.181 9.221 -6.396 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.708 10.302 -7.212 1.00 0.00 C ATOM 1011 C VAL A 65 -14.247 11.407 -6.301 1.00 0.00 C ATOM 1012 O VAL A 65 -13.832 12.560 -6.405 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.760 9.761 -8.182 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.250 10.858 -9.128 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.219 8.562 -8.965 1.00 0.00 C ATOM 0 H VAL A 65 -13.646 8.322 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.918 10.740 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.613 9.420 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.997 10.446 -9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.694 11.667 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.409 11.244 -9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.987 8.197 -9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.341 8.866 -9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.943 7.768 -8.271 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.163 11.015 -5.428 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.763 11.957 -4.499 1.00 0.00 C ATOM 1027 C ALA A 66 -14.663 12.612 -3.661 1.00 0.00 C ATOM 1028 O ALA A 66 -14.667 13.826 -3.463 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.800 11.235 -3.637 1.00 0.00 C ATOM 0 H ALA A 66 -15.504 10.057 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.282 12.749 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.250 11.942 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.575 10.813 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.315 10.434 -3.079 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.746 11.778 -3.191 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.642 12.260 -2.379 1.00 0.00 C ATOM 1037 C TRP A 67 -11.802 13.208 -3.237 1.00 0.00 C ATOM 1038 O TRP A 67 -11.251 14.185 -2.733 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.832 11.095 -1.807 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.472 11.503 -1.238 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.205 12.034 -0.038 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.194 11.389 -1.900 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.855 12.271 0.122 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.221 11.866 -1.047 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.872 10.899 -3.178 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.861 11.900 -1.378 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.509 10.940 -3.494 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.516 11.418 -2.646 1.00 0.00 C ATOM 0 H TRP A 67 -13.745 10.772 -3.357 1.00 0.00 H new ATOM 0 HA TRP A 67 -13.012 12.810 -1.513 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.413 10.613 -1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.679 10.353 -2.591 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.953 12.250 0.711 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.405 12.670 0.946 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.617 10.521 -3.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.118 12.278 -0.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.207 10.575 -4.465 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.484 11.417 -2.964 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.731 12.885 -4.521 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.967 13.695 -5.454 1.00 0.00 C ATOM 1061 C GLN A 68 -11.702 15.005 -5.745 1.00 0.00 C ATOM 1062 O GLN A 68 -11.073 16.041 -5.955 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.687 12.926 -6.747 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.925 13.795 -7.749 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.672 13.036 -9.052 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -10.485 13.025 -9.963 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.503 12.402 -9.092 1.00 0.00 N ATOM 0 H GLN A 68 -12.190 12.074 -4.936 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.007 13.933 -4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.108 12.030 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.627 12.596 -7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.494 14.701 -7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.975 14.108 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.868 12.452 -8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.242 11.866 -9.920 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.024 14.917 -5.747 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.852 16.083 -6.008 1.00 0.00 C ATOM 1078 C ASP A 69 -13.955 16.925 -4.735 1.00 0.00 C ATOM 1079 O ASP A 69 -14.214 18.126 -4.800 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.267 15.673 -6.420 1.00 0.00 C ATOM 1081 CG ASP A 69 -15.935 16.592 -7.444 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.525 16.521 -8.623 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -16.840 17.346 -7.025 1.00 0.00 O ATOM 0 H ASP A 69 -13.543 14.056 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.391 16.649 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.232 14.663 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.892 15.634 -5.528 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.747 16.262 -3.607 1.00 0.00 N ATOM 1089 CA GLN A 70 -13.813 16.935 -2.321 1.00 0.00 C ATOM 1090 C GLN A 70 -12.571 17.804 -2.112 1.00 0.00 C ATOM 1091 O GLN A 70 -12.675 19.024 -1.993 1.00 0.00 O ATOM 1092 CB GLN A 70 -13.974 15.926 -1.182 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.433 16.492 0.133 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.266 16.009 1.322 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.486 16.003 1.296 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -13.542 15.606 2.362 1.00 0.00 N ATOM 0 H GLN A 70 -13.533 15.266 -3.557 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.690 17.582 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.027 15.669 -1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.446 15.005 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.395 16.187 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.443 17.581 0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.523 15.637 2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.005 15.265 3.205 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.424 17.142 -2.073 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.164 17.838 -1.880 1.00 0.00 C ATOM 1107 C GLU A 71 -9.809 18.648 -3.128 1.00 0.00 C ATOM 1108 O GLU A 71 -9.220 19.724 -3.028 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.044 16.858 -1.525 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.280 16.230 -0.150 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.369 16.862 0.904 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -7.232 17.222 0.530 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -8.831 16.972 2.061 1.00 0.00 O ATOM 0 H GLU A 71 -11.341 16.130 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.277 18.527 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.988 16.075 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.086 17.377 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.323 16.361 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.095 15.157 -0.200 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.182 18.101 -4.276 1.00 0.00 N ATOM 1121 CA GLY A 72 -9.910 18.760 -5.542 1.00 0.00 C ATOM 1122 C GLY A 72 -8.452 18.561 -5.962 1.00 0.00 C ATOM 1123 O GLY A 72 -7.983 17.429 -6.071 1.00 0.00 O ATOM 0 H GLY A 72 -10.670 17.209 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.571 18.363 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.125 19.825 -5.455 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.776 19.678 -6.185 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.381 19.641 -6.590 1.00 0.00 C ATOM 1129 C VAL A 73 -5.523 19.194 -5.405 1.00 0.00 C ATOM 1130 O VAL A 73 -4.354 18.849 -5.576 1.00 0.00 O ATOM 1131 CB VAL A 73 -5.963 21.002 -7.151 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -6.969 21.498 -8.192 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.784 22.026 -6.029 1.00 0.00 C ATOM 0 H VAL A 73 -8.168 20.615 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.234 18.916 -7.390 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.001 20.879 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.649 22.467 -8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.025 20.784 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.951 21.597 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.487 22.984 -6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.724 22.144 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.013 21.680 -5.341 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.135 19.214 -4.230 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.441 18.814 -3.018 1.00 0.00 C ATOM 1145 C HIS A 74 -5.527 17.296 -2.854 1.00 0.00 C ATOM 1146 O HIS A 74 -4.910 16.729 -1.954 1.00 0.00 O ATOM 1147 CB HIS A 74 -5.985 19.573 -1.806 1.00 0.00 C ATOM 1148 CG HIS A 74 -5.995 21.074 -1.974 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.169 21.915 -1.249 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -6.737 21.874 -2.793 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -5.413 23.163 -1.621 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -6.385 23.136 -2.578 1.00 0.00 N ATOM 0 H HIS A 74 -7.104 19.501 -4.092 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.386 19.076 -3.095 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.001 19.234 -1.604 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.385 19.320 -0.932 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.484 21.538 -3.497 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.927 24.047 -1.234 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.777 23.951 -3.050 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.298 16.680 -3.738 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.473 15.238 -3.703 1.00 0.00 C ATOM 1162 C ALA A 75 -5.275 14.567 -4.379 1.00 0.00 C ATOM 1163 O ALA A 75 -5.278 14.358 -5.591 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.800 14.868 -4.368 1.00 0.00 C ATOM 0 H ALA A 75 -6.809 17.153 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.514 14.881 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.931 13.786 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.621 15.346 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.795 15.208 -5.404 1.00 0.00 H new ATOM 1170 N THR A 76 -4.280 14.248 -3.565 1.00 0.00 N ATOM 1171 CA THR A 76 -3.078 13.605 -4.068 1.00 0.00 C ATOM 1172 C THR A 76 -2.841 12.277 -3.346 1.00 0.00 C ATOM 1173 O THR A 76 -3.461 12.006 -2.319 1.00 0.00 O ATOM 1174 CB THR A 76 -1.917 14.591 -3.923 1.00 0.00 C ATOM 1175 OG1 THR A 76 -1.562 14.508 -2.545 1.00 0.00 O ATOM 1176 CG2 THR A 76 -2.358 16.045 -4.107 1.00 0.00 C ATOM 0 H THR A 76 -4.281 14.423 -2.560 1.00 0.00 H new ATOM 0 HA THR A 76 -3.178 13.352 -5.123 1.00 0.00 H new ATOM 0 HB THR A 76 -1.143 14.351 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.814 15.115 -2.363 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.497 16.703 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.785 16.173 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.107 16.296 -3.356 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.919 11.463 -3.927 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.593 10.170 -3.350 1.00 0.00 C ATOM 1186 C PRO A 77 -0.718 10.331 -2.105 1.00 0.00 C ATOM 1187 O PRO A 77 -0.778 9.511 -1.189 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.902 9.404 -4.466 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.452 10.450 -5.473 1.00 0.00 C ATOM 1190 CD PRO A 77 -1.165 11.752 -5.143 1.00 0.00 C ATOM 0 HA PRO A 77 -2.474 9.631 -3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.052 8.839 -4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.581 8.686 -4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.629 10.584 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.690 10.131 -6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.455 12.564 -4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.825 12.059 -5.955 1.00 0.00 H new ATOM 1198 N GLU A 78 0.075 11.392 -2.110 1.00 0.00 N ATOM 1199 CA GLU A 78 0.961 11.670 -0.993 1.00 0.00 C ATOM 1200 C GLU A 78 0.151 11.868 0.290 1.00 0.00 C ATOM 1201 O GLU A 78 0.612 11.526 1.378 1.00 0.00 O ATOM 1202 CB GLU A 78 1.840 12.890 -1.280 1.00 0.00 C ATOM 1203 CG GLU A 78 2.743 13.208 -0.087 1.00 0.00 C ATOM 1204 CD GLU A 78 3.346 14.608 -0.214 1.00 0.00 C ATOM 1205 OE1 GLU A 78 3.545 15.037 -1.371 1.00 0.00 O ATOM 1206 OE2 GLU A 78 3.595 15.218 0.849 1.00 0.00 O ATOM 0 H GLU A 78 0.122 12.070 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 78 1.620 10.813 -0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.451 12.703 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.211 13.751 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.169 13.138 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.541 12.469 -0.023 1.00 0.00 H new ATOM 1213 N ASN A 79 -1.041 12.420 0.120 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.919 12.668 1.251 1.00 0.00 C ATOM 1215 C ASN A 79 -2.677 11.383 1.593 1.00 0.00 C ATOM 1216 O ASN A 79 -2.718 10.973 2.752 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.949 13.750 0.922 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.414 15.140 1.272 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.490 15.299 2.053 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -3.044 16.134 0.653 1.00 0.00 N ATOM 0 H ASN A 79 -1.420 12.703 -0.784 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.305 12.998 2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.199 13.709 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.870 13.561 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.761 17.100 0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.810 15.931 0.011 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.258 10.785 0.564 1.00 0.00 N ATOM 1228 CA LEU A 80 -4.012 9.555 0.741 1.00 0.00 C ATOM 1229 C LEU A 80 -3.132 8.518 1.441 1.00 0.00 C ATOM 1230 O LEU A 80 -3.562 7.878 2.399 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.581 9.078 -0.596 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.715 8.053 -0.516 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.825 8.537 0.418 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.246 7.713 -1.910 1.00 0.00 C ATOM 0 H LEU A 80 -3.222 11.129 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.875 9.727 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.942 9.947 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.769 8.646 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.315 7.132 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.619 7.791 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.419 8.688 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.230 9.478 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.051 6.983 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.626 8.617 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.440 7.296 -2.515 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.914 8.385 0.935 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.969 7.436 1.499 1.00 0.00 C ATOM 1248 C ILE A 81 -0.872 7.657 3.010 1.00 0.00 C ATOM 1249 O ILE A 81 -0.937 6.705 3.785 1.00 0.00 O ATOM 1250 CB ILE A 81 0.377 7.527 0.777 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.297 6.890 -0.613 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.496 6.917 1.623 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.595 7.110 -1.392 1.00 0.00 C ATOM 0 H ILE A 81 -1.560 8.919 0.141 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.318 6.415 1.347 1.00 0.00 H new ATOM 0 HB ILE A 81 0.618 8.581 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.103 5.822 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.540 7.318 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.442 6.995 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.570 7.453 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.274 5.868 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.512 6.648 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.773 8.179 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.426 6.660 -0.849 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.718 8.919 3.383 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.611 9.277 4.787 1.00 0.00 C ATOM 1267 C ASN A 82 -1.756 8.624 5.564 1.00 0.00 C ATOM 1268 O ASN A 82 -1.528 7.976 6.584 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.713 10.791 4.979 1.00 0.00 C ATOM 1270 CG ASN A 82 0.362 11.296 5.943 1.00 0.00 C ATOM 1271 OD1 ASN A 82 0.084 11.749 7.042 1.00 0.00 O ATOM 1272 ND2 ASN A 82 1.602 11.192 5.474 1.00 0.00 N ATOM 0 H ASN A 82 -0.665 9.706 2.737 1.00 0.00 H new ATOM 0 HA ASN A 82 0.357 8.932 5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.607 11.291 4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.700 11.046 5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.390 11.501 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.765 10.803 4.545 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.962 8.817 5.051 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.143 8.255 5.684 1.00 0.00 C ATOM 1281 C ALA A 83 -4.037 6.729 5.687 1.00 0.00 C ATOM 1282 O ALA A 83 -4.225 6.092 6.723 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.396 8.750 4.958 1.00 0.00 C ATOM 0 H ALA A 83 -3.147 9.355 4.204 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.215 8.583 6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.282 8.328 5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.440 9.838 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.360 8.437 3.915 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.736 6.185 4.517 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.603 4.746 4.372 1.00 0.00 C ATOM 1291 C LEU A 84 -2.758 4.198 5.525 1.00 0.00 C ATOM 1292 O LEU A 84 -3.066 3.143 6.078 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.055 4.395 2.987 1.00 0.00 C ATOM 1294 CG LEU A 84 -3.997 4.650 1.809 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.221 4.720 0.492 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.112 3.603 1.763 1.00 0.00 C ATOM 0 H LEU A 84 -3.580 6.716 3.660 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.579 4.265 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.140 4.965 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.779 3.341 2.984 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.472 5.620 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.914 4.902 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.495 5.531 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.701 3.777 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.768 3.807 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.675 2.611 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.689 3.645 2.687 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.710 4.939 5.852 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.819 4.541 6.929 1.00 0.00 C ATOM 1310 C ASN A 85 -1.622 4.398 8.223 1.00 0.00 C ATOM 1311 O ASN A 85 -1.819 3.288 8.716 1.00 0.00 O ATOM 1312 CB ASN A 85 0.268 5.592 7.161 1.00 0.00 C ATOM 1313 CG ASN A 85 1.658 5.012 6.888 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.177 4.199 7.634 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.229 5.476 5.780 1.00 0.00 N ATOM 0 H ASN A 85 -1.458 5.813 5.390 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.353 3.596 6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.094 6.450 6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.216 5.954 8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.158 5.151 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.738 6.156 5.200 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.064 5.536 8.737 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.841 5.551 9.964 1.00 0.00 C ATOM 1324 C LYS A 86 -4.025 4.592 9.826 1.00 0.00 C ATOM 1325 O LYS A 86 -4.422 3.946 10.794 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.248 6.982 10.323 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.030 7.633 9.180 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.249 9.124 9.444 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.193 9.338 10.629 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.090 10.727 11.129 1.00 0.00 N ATOM 0 H LYS A 86 -1.899 6.455 8.326 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.238 5.196 10.800 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.857 6.975 11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.359 7.573 10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.488 7.502 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.993 7.135 9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.292 9.606 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.664 9.598 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.219 9.129 10.326 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.948 8.638 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.737 10.855 11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.114 10.914 11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.346 11.389 10.369 1.00 0.00 H new ATOM 1344 N SER A 87 -4.555 4.528 8.613 1.00 0.00 N ATOM 1345 CA SER A 87 -5.685 3.658 8.335 1.00 0.00 C ATOM 1346 C SER A 87 -5.258 2.193 8.449 1.00 0.00 C ATOM 1347 O SER A 87 -6.096 1.294 8.407 1.00 0.00 O ATOM 1348 CB SER A 87 -6.265 3.935 6.946 1.00 0.00 C ATOM 1349 OG SER A 87 -5.688 3.096 5.950 1.00 0.00 O ATOM 0 H SER A 87 -4.223 5.065 7.812 1.00 0.00 H new ATOM 0 HA SER A 87 -6.463 3.862 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.344 3.783 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.095 4.979 6.684 1.00 0.00 H new ATOM 0 HG SER A 87 -4.733 2.979 6.134 1.00 0.00 H new ATOM 1355 N GLY A 88 -3.956 1.999 8.592 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.408 0.659 8.713 1.00 0.00 C ATOM 1357 C GLY A 88 -3.457 -0.077 7.373 1.00 0.00 C ATOM 1358 O GLY A 88 -3.562 -1.302 7.336 1.00 0.00 O ATOM 0 H GLY A 88 -3.264 2.748 8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.378 0.714 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.970 0.099 9.460 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.379 0.702 6.303 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.414 0.140 4.964 1.00 0.00 C ATOM 1364 C LEU A 89 -2.020 0.232 4.341 1.00 0.00 C ATOM 1365 O LEU A 89 -1.886 0.491 3.146 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.506 0.811 4.129 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.880 0.138 4.156 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.108 -0.589 5.483 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -6.991 1.147 3.858 1.00 0.00 C ATOM 0 H LEU A 89 -3.292 1.718 6.337 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.678 -0.917 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.620 1.839 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.167 0.858 3.094 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.907 -0.614 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.092 -1.059 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.342 -1.353 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.053 0.126 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.957 0.643 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.975 1.938 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.834 1.580 2.870 1.00 0.00 H new ATOM 1381 N SER A 90 -1.016 0.015 5.178 1.00 0.00 N ATOM 1382 CA SER A 90 0.363 0.070 4.724 1.00 0.00 C ATOM 1383 C SER A 90 0.477 -0.530 3.322 1.00 0.00 C ATOM 1384 O SER A 90 1.193 -0.002 2.473 1.00 0.00 O ATOM 1385 CB SER A 90 1.292 -0.665 5.693 1.00 0.00 C ATOM 1386 OG SER A 90 0.859 -2.000 5.938 1.00 0.00 O ATOM 0 H SER A 90 -1.130 -0.199 6.169 1.00 0.00 H new ATOM 0 HA SER A 90 0.670 1.115 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.303 -0.681 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.337 -0.120 6.636 1.00 0.00 H new ATOM 0 HG SER A 90 1.479 -2.436 6.560 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.241 -1.626 3.122 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.229 -2.304 1.837 1.00 0.00 C ATOM 1394 C ASP A 91 -0.415 -1.275 0.720 1.00 0.00 C ATOM 1395 O ASP A 91 0.404 -1.189 -0.193 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.370 -3.319 1.739 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.193 -4.576 2.592 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -1.484 -4.486 3.804 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -0.768 -5.599 2.013 1.00 0.00 O ATOM 0 H ASP A 91 -0.835 -2.061 3.828 1.00 0.00 H new ATOM 0 HA ASP A 91 0.725 -2.822 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.299 -2.828 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.481 -3.618 0.697 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.498 -0.518 0.830 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.802 0.502 -0.159 1.00 0.00 C ATOM 1406 C LEU A 92 -0.647 1.504 -0.223 1.00 0.00 C ATOM 1407 O LEU A 92 0.028 1.614 -1.245 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.158 1.145 0.135 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.365 0.515 -0.563 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.746 1.303 -1.818 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.111 -0.963 -0.869 1.00 0.00 C ATOM 0 H LEU A 92 -2.175 -0.591 1.589 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.894 0.057 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.328 1.112 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.108 2.197 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.216 0.562 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.607 0.834 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.997 2.327 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.906 1.310 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.984 -1.387 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.243 -1.056 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.925 -1.500 0.061 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.455 2.209 0.882 1.00 0.00 N ATOM 1424 CA ALA A 93 0.606 3.198 0.964 1.00 0.00 C ATOM 1425 C ALA A 93 1.843 2.674 0.231 1.00 0.00 C ATOM 1426 O ALA A 93 2.314 3.295 -0.721 1.00 0.00 O ATOM 1427 CB ALA A 93 0.891 3.520 2.433 1.00 0.00 C ATOM 0 H ALA A 93 -1.017 2.115 1.728 1.00 0.00 H new ATOM 0 HA ALA A 93 0.304 4.126 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.687 4.262 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.011 3.915 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.200 2.612 2.951 1.00 0.00 H new ATOM 1433 N GLU A 94 2.334 1.537 0.703 1.00 0.00 N ATOM 1434 CA GLU A 94 3.507 0.923 0.104 1.00 0.00 C ATOM 1435 C GLU A 94 3.269 0.666 -1.385 1.00 0.00 C ATOM 1436 O GLU A 94 4.163 0.871 -2.205 1.00 0.00 O ATOM 1437 CB GLU A 94 3.881 -0.369 0.832 1.00 0.00 C ATOM 1438 CG GLU A 94 4.631 -0.070 2.131 1.00 0.00 C ATOM 1439 CD GLU A 94 5.464 -1.275 2.573 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.275 -1.740 1.742 1.00 0.00 O ATOM 1441 OE2 GLU A 94 5.271 -1.704 3.731 1.00 0.00 O ATOM 0 H GLU A 94 1.941 1.025 1.493 1.00 0.00 H new ATOM 0 HA GLU A 94 4.346 1.612 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.979 -0.940 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.501 -0.989 0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.281 0.794 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.919 0.192 2.914 1.00 0.00 H new ATOM 1448 N SER A 95 2.059 0.220 -1.690 1.00 0.00 N ATOM 1449 CA SER A 95 1.693 -0.069 -3.066 1.00 0.00 C ATOM 1450 C SER A 95 1.801 1.201 -3.913 1.00 0.00 C ATOM 1451 O SER A 95 2.411 1.189 -4.981 1.00 0.00 O ATOM 1452 CB SER A 95 0.277 -0.644 -3.151 1.00 0.00 C ATOM 1453 OG SER A 95 0.175 -1.907 -2.499 1.00 0.00 O ATOM 0 H SER A 95 1.320 0.052 -1.008 1.00 0.00 H new ATOM 0 HA SER A 95 2.384 -0.818 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.426 0.055 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.009 -0.752 -4.197 1.00 0.00 H new ATOM 0 HG SER A 95 0.545 -1.839 -1.594 1.00 0.00 H new ATOM 1459 N LEU A 96 1.198 2.266 -3.405 1.00 0.00 N ATOM 1460 CA LEU A 96 1.219 3.541 -4.102 1.00 0.00 C ATOM 1461 C LEU A 96 2.668 4.005 -4.264 1.00 0.00 C ATOM 1462 O LEU A 96 3.092 4.354 -5.365 1.00 0.00 O ATOM 1463 CB LEU A 96 0.324 4.556 -3.388 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.183 4.369 -3.573 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.572 4.477 -5.049 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.652 3.051 -2.952 1.00 0.00 C ATOM 0 H LEU A 96 0.692 2.272 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 96 0.804 3.435 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.546 4.519 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.591 5.554 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.694 5.174 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.648 4.340 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.293 5.460 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.052 3.707 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.727 2.942 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.135 2.219 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.428 3.052 -1.885 1.00 0.00 H new ATOM 1478 N THR A 97 3.387 3.994 -3.151 1.00 0.00 N ATOM 1479 CA THR A 97 4.779 4.410 -3.156 1.00 0.00 C ATOM 1480 C THR A 97 5.685 3.237 -3.539 1.00 0.00 C ATOM 1481 O THR A 97 6.851 3.196 -3.150 1.00 0.00 O ATOM 1482 CB THR A 97 5.101 5.003 -1.783 1.00 0.00 C ATOM 1483 OG1 THR A 97 6.005 6.067 -2.067 1.00 0.00 O ATOM 1484 CG2 THR A 97 5.914 4.046 -0.908 1.00 0.00 C ATOM 0 H THR A 97 3.032 3.704 -2.240 1.00 0.00 H new ATOM 0 HA THR A 97 4.959 5.178 -3.908 1.00 0.00 H new ATOM 0 HB THR A 97 4.173 5.262 -1.273 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.264 6.508 -1.231 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.115 4.516 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.349 3.127 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.857 3.813 -1.402 1.00 0.00 H new