USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 582 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 148:sc= 0.542 USER MOD Set 1.2: A 79 ASN : amide:sc= -1.62! X(o=-1.1!,f=-0.83) USER MOD Set 2.1: A 59 ASN : amide:sc= -0.838 K(o=-4.6,f=-12!) USER MOD Set 2.2: A 62 GLN : amide:sc= -3.78! C(o=-4.6!,f=-9.5!) USER MOD Single : A 13 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 14 HIS : no HD1:sc= -0.492 K(o=-0.49,f=-1.9) USER MOD Single : A 19 THR OG1 : rot 86:sc= 0.391! USER MOD Single : A 20 ASN : amide:sc= -0.679 K(o=-0.68,f=-1.2!) USER MOD Single : A 25 THR OG1 : rot 170:sc= 0.121 USER MOD Single : A 26 ASN : amide:sc= -3.14! C(o=-3.1!,f=-16!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 100:sc= 0.2 USER MOD Single : A 32 MET CE :methyl -142:sc= -0.828 (180deg=-3.78!) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.0674 F(o=-0.78,f=-0.067) USER MOD Single : A 36 GLN : amide:sc= -0.0172 K(o=-0.017,f=-1.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -3.37 K(o=-3.4,f=-7!) USER MOD Single : A 71 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0937 K(o=-0.094,f=-0.72) USER MOD Single : A 78 ASN : amide:sc= -0.732 X(o=-0.73,f=-0.27) USER MOD Single : A 81 MET CE :methyl -131:sc= -2.38! (180deg=-4.94!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 172 N ASN A 13 -9.980 -0.784 -3.273 1.00 0.00 N ATOM 173 CA ASN A 13 -9.056 0.231 -2.727 1.00 0.00 C ATOM 174 C ASN A 13 -7.734 0.349 -3.520 1.00 0.00 C ATOM 175 O ASN A 13 -6.843 -0.466 -3.474 1.00 0.00 O ATOM 176 CB ASN A 13 -8.752 0.015 -1.227 1.00 0.00 C ATOM 177 CG ASN A 13 -9.446 -1.269 -0.765 1.00 0.00 C ATOM 178 OD1 ASN A 13 -9.055 -2.349 -1.139 1.00 0.00 O ATOM 179 ND2 ASN A 13 -10.465 -1.206 0.038 1.00 0.00 N ATOM 0 HA ASN A 13 -9.591 1.174 -2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.676 -0.058 -1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.104 0.866 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.926 -2.063 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.805 -0.300 0.361 1.00 0.00 H new ATOM 186 N HIS A 14 -7.622 1.424 -4.270 1.00 0.00 N ATOM 187 CA HIS A 14 -6.384 1.685 -5.091 1.00 0.00 C ATOM 188 C HIS A 14 -5.466 2.589 -4.206 1.00 0.00 C ATOM 189 O HIS A 14 -4.672 3.388 -4.681 1.00 0.00 O ATOM 190 CB HIS A 14 -6.733 2.417 -6.375 1.00 0.00 C ATOM 191 CG HIS A 14 -8.207 2.783 -6.458 1.00 0.00 C ATOM 192 ND1 HIS A 14 -9.220 1.865 -6.708 1.00 0.00 N ATOM 193 CD2 HIS A 14 -8.906 3.967 -6.327 1.00 0.00 C ATOM 194 CE1 HIS A 14 -10.413 2.488 -6.716 1.00 0.00 C ATOM 195 NE2 HIS A 14 -10.278 3.786 -6.483 1.00 0.00 N ATOM 0 H HIS A 14 -8.342 2.142 -4.351 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.896 0.751 -5.370 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.133 3.324 -6.446 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.469 1.792 -7.228 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.443 4.922 -6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.358 1.994 -6.890 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.012 4.492 -6.430 1.00 0.00 H new ATOM 204 N ILE A 15 -5.553 2.483 -2.889 1.00 0.00 N ATOM 205 CA ILE A 15 -4.769 3.305 -1.929 1.00 0.00 C ATOM 206 C ILE A 15 -4.399 2.332 -0.782 1.00 0.00 C ATOM 207 O ILE A 15 -5.218 1.875 -0.034 1.00 0.00 O ATOM 208 CB ILE A 15 -5.478 4.540 -1.370 1.00 0.00 C ATOM 209 CG1 ILE A 15 -5.274 5.693 -2.364 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.745 4.923 -0.085 1.00 0.00 C ATOM 211 CD1 ILE A 15 -5.779 7.021 -1.826 1.00 0.00 C ATOM 0 H ILE A 15 -6.176 1.817 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.913 3.730 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.538 4.349 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.214 5.780 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.791 5.462 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.215 5.803 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.794 4.095 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.702 5.145 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.611 7.802 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.846 6.946 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.244 7.270 -0.910 1.00 0.00 H new ATOM 223 N LEU A 16 -3.126 2.055 -0.673 1.00 0.00 N ATOM 224 CA LEU A 16 -2.605 1.165 0.413 1.00 0.00 C ATOM 225 C LEU A 16 -1.573 1.957 1.266 1.00 0.00 C ATOM 226 O LEU A 16 -0.503 2.347 0.853 1.00 0.00 O ATOM 227 CB LEU A 16 -1.939 -0.003 -0.287 1.00 0.00 C ATOM 228 CG LEU A 16 -3.004 -0.821 -1.051 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.021 -0.463 -2.521 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.624 -2.290 -0.859 1.00 0.00 C ATOM 0 H LEU A 16 -2.409 2.415 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.394 0.817 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.178 0.359 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.432 -0.636 0.441 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.004 -0.611 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.781 -1.055 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.250 0.597 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.044 -0.672 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.343 -2.923 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.628 -2.464 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.630 -2.531 0.204 1.00 0.00 H new ATOM 242 N PHE A 17 -2.038 2.194 2.500 1.00 0.00 N ATOM 243 CA PHE A 17 -1.394 2.991 3.528 1.00 0.00 C ATOM 244 C PHE A 17 -1.211 2.053 4.741 1.00 0.00 C ATOM 245 O PHE A 17 -2.129 1.373 5.058 1.00 0.00 O ATOM 246 CB PHE A 17 -2.142 4.222 3.999 1.00 0.00 C ATOM 247 CG PHE A 17 -1.698 4.506 5.428 1.00 0.00 C ATOM 248 CD1 PHE A 17 -0.369 4.920 5.685 1.00 0.00 C ATOM 249 CD2 PHE A 17 -2.595 4.362 6.490 1.00 0.00 C ATOM 250 CE1 PHE A 17 0.043 5.185 6.996 1.00 0.00 C ATOM 251 CE2 PHE A 17 -2.182 4.623 7.789 1.00 0.00 C ATOM 252 CZ PHE A 17 -0.882 5.029 8.040 1.00 0.00 C ATOM 0 H PHE A 17 -2.927 1.807 2.816 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.473 3.378 3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.925 5.073 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.219 4.056 3.957 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.328 5.032 4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.610 4.047 6.300 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.054 5.504 7.201 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.877 4.509 8.608 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.575 5.229 9.056 1.00 0.00 H new ATOM 262 N LEU A 18 -0.026 2.065 5.217 1.00 0.00 N ATOM 263 CA LEU A 18 0.283 1.278 6.381 1.00 0.00 C ATOM 264 C LEU A 18 1.767 1.437 6.573 1.00 0.00 C ATOM 265 O LEU A 18 2.414 2.218 5.895 1.00 0.00 O ATOM 266 CB LEU A 18 -0.337 -0.067 6.603 1.00 0.00 C ATOM 267 CG LEU A 18 -0.450 -0.280 8.134 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.913 -0.121 8.599 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.016 -1.657 8.567 1.00 0.00 C ATOM 0 H LEU A 18 0.752 2.602 4.834 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.284 1.667 7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.320 -0.118 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.272 -0.850 6.151 1.00 0.00 H new ATOM 0 HG LEU A 18 0.204 0.470 8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.971 -0.274 9.677 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.265 0.881 8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.538 -0.858 8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.117 -1.747 9.649 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.641 -2.405 8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.025 -1.816 8.286 1.00 0.00 H new ATOM 281 N THR A 19 2.225 0.813 7.536 1.00 0.00 N ATOM 282 CA THR A 19 3.593 0.950 7.928 1.00 0.00 C ATOM 283 C THR A 19 4.084 -0.416 8.344 1.00 0.00 C ATOM 284 O THR A 19 3.442 -1.455 8.253 1.00 0.00 O ATOM 285 CB THR A 19 3.596 1.830 9.210 1.00 0.00 C ATOM 286 OG1 THR A 19 4.604 1.459 10.111 1.00 0.00 O ATOM 287 CG2 THR A 19 2.246 1.567 9.917 1.00 0.00 C ATOM 0 H THR A 19 1.682 0.170 8.111 1.00 0.00 H new ATOM 0 HA THR A 19 4.203 1.371 7.128 1.00 0.00 H new ATOM 0 HB THR A 19 3.758 2.869 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.438 1.916 9.875 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.191 2.161 10.829 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.427 1.845 9.253 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.167 0.509 10.168 1.00 0.00 H new ATOM 295 N ASN A 20 5.251 -0.399 8.701 1.00 0.00 N ATOM 296 CA ASN A 20 6.050 -1.580 9.194 1.00 0.00 C ATOM 297 C ASN A 20 7.312 -1.650 8.311 1.00 0.00 C ATOM 298 O ASN A 20 7.736 -2.656 7.809 1.00 0.00 O ATOM 299 CB ASN A 20 5.294 -2.869 9.293 1.00 0.00 C ATOM 300 CG ASN A 20 6.090 -3.846 10.196 1.00 0.00 C ATOM 301 OD1 ASN A 20 7.293 -3.991 10.089 1.00 0.00 O ATOM 302 ND2 ASN A 20 5.465 -4.555 11.104 1.00 0.00 N ATOM 0 H ASN A 20 5.800 0.461 8.691 1.00 0.00 H new ATOM 0 HA ASN A 20 6.321 -1.425 10.239 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.302 -2.694 9.709 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.153 -3.301 8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.987 -5.203 11.694 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.456 -4.459 11.221 1.00 0.00 H new ATOM 309 N LEU A 21 7.963 -0.527 8.097 1.00 0.00 N ATOM 310 CA LEU A 21 9.193 -0.490 7.245 1.00 0.00 C ATOM 311 C LEU A 21 10.407 -0.207 8.121 1.00 0.00 C ATOM 312 O LEU A 21 10.257 0.445 9.136 1.00 0.00 O ATOM 313 CB LEU A 21 9.048 0.622 6.186 1.00 0.00 C ATOM 314 CG LEU A 21 7.680 1.268 6.230 1.00 0.00 C ATOM 315 CD1 LEU A 21 7.523 2.393 5.186 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.643 0.213 5.842 1.00 0.00 C ATOM 0 H LEU A 21 7.688 0.376 8.483 1.00 0.00 H new ATOM 0 HA LEU A 21 9.323 -1.451 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.813 1.381 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.220 0.204 5.194 1.00 0.00 H new ATOM 0 HG LEU A 21 7.550 1.673 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.524 2.822 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.266 3.169 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.668 1.984 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.647 0.655 5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.854 -0.152 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.688 -0.618 6.546 1.00 0.00 H new ATOM 328 N PRO A 22 11.566 -0.684 7.733 1.00 0.00 N ATOM 329 CA PRO A 22 12.843 -0.518 8.428 1.00 0.00 C ATOM 330 C PRO A 22 13.235 0.957 8.500 1.00 0.00 C ATOM 331 O PRO A 22 12.421 1.827 8.341 1.00 0.00 O ATOM 332 CB PRO A 22 13.811 -1.340 7.548 1.00 0.00 C ATOM 333 CG PRO A 22 13.170 -1.714 6.179 1.00 0.00 C ATOM 334 CD PRO A 22 11.680 -1.474 6.488 1.00 0.00 C ATOM 0 HA PRO A 22 12.832 -0.851 9.466 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.723 -0.768 7.378 1.00 0.00 H new ATOM 0 HB3 PRO A 22 14.099 -2.249 8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.531 -1.083 5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.373 -2.747 5.895 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.205 -0.945 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.160 -2.426 6.598 1.00 0.00 H new ATOM 342 N GLU A 23 14.477 1.238 8.739 1.00 0.00 N ATOM 343 CA GLU A 23 15.033 2.606 8.843 1.00 0.00 C ATOM 344 C GLU A 23 15.836 2.996 7.584 1.00 0.00 C ATOM 345 O GLU A 23 16.303 4.104 7.526 1.00 0.00 O ATOM 346 CB GLU A 23 15.960 2.659 10.059 1.00 0.00 C ATOM 347 CG GLU A 23 16.369 4.112 10.340 1.00 0.00 C ATOM 348 CD GLU A 23 17.865 4.331 10.028 1.00 0.00 C ATOM 349 OE1 GLU A 23 18.701 3.640 10.610 1.00 0.00 O ATOM 350 OE2 GLU A 23 18.182 5.189 9.207 1.00 0.00 O ATOM 0 H GLU A 23 15.182 0.513 8.877 1.00 0.00 H new ATOM 0 HA GLU A 23 14.205 3.308 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.457 2.239 10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.846 2.051 9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.764 4.788 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.171 4.355 11.384 1.00 0.00 H new ATOM 357 N GLU A 24 15.981 2.119 6.628 1.00 0.00 N ATOM 358 CA GLU A 24 16.751 2.454 5.381 1.00 0.00 C ATOM 359 C GLU A 24 15.773 2.723 4.221 1.00 0.00 C ATOM 360 O GLU A 24 16.180 3.227 3.184 1.00 0.00 O ATOM 361 CB GLU A 24 17.671 1.288 5.046 1.00 0.00 C ATOM 362 CG GLU A 24 18.489 0.974 6.302 1.00 0.00 C ATOM 363 CD GLU A 24 19.926 0.639 5.890 1.00 0.00 C ATOM 364 OE1 GLU A 24 20.471 1.489 5.194 1.00 0.00 O ATOM 365 OE2 GLU A 24 20.450 -0.400 6.238 1.00 0.00 O ATOM 0 H GLU A 24 15.598 1.174 6.652 1.00 0.00 H new ATOM 0 HA GLU A 24 17.349 3.351 5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.091 0.418 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.328 1.544 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.481 1.828 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.046 0.136 6.840 1.00 0.00 H new ATOM 372 N THR A 25 14.534 2.396 4.399 1.00 0.00 N ATOM 373 CA THR A 25 13.539 2.624 3.318 1.00 0.00 C ATOM 374 C THR A 25 13.535 4.109 2.955 1.00 0.00 C ATOM 375 O THR A 25 13.899 4.981 3.702 1.00 0.00 O ATOM 376 CB THR A 25 12.120 2.307 3.832 1.00 0.00 C ATOM 377 OG1 THR A 25 12.028 2.918 5.124 1.00 0.00 O ATOM 378 CG2 THR A 25 11.899 0.811 3.994 1.00 0.00 C ATOM 0 H THR A 25 14.160 1.977 5.251 1.00 0.00 H new ATOM 0 HA THR A 25 13.801 1.992 2.469 1.00 0.00 H new ATOM 0 HB THR A 25 11.376 2.675 3.125 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.099 2.888 5.434 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.888 0.630 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.032 0.317 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.619 0.412 4.709 1.00 0.00 H new ATOM 386 N ASN A 26 13.094 4.375 1.744 1.00 0.00 N ATOM 387 CA ASN A 26 13.078 5.824 1.379 1.00 0.00 C ATOM 388 C ASN A 26 12.018 6.127 0.284 1.00 0.00 C ATOM 389 O ASN A 26 11.312 5.295 -0.221 1.00 0.00 O ATOM 390 CB ASN A 26 14.464 6.336 1.015 1.00 0.00 C ATOM 391 CG ASN A 26 14.916 5.828 -0.363 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.354 6.253 -1.353 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.885 4.961 -0.426 1.00 0.00 N ATOM 0 H ASN A 26 12.769 3.709 1.044 1.00 0.00 H new ATOM 0 HA ASN A 26 12.774 6.380 2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.461 7.426 1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.180 6.017 1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.199 4.613 -1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.330 4.630 0.430 1.00 0.00 H new ATOM 400 N GLU A 27 11.927 7.394 -0.076 1.00 0.00 N ATOM 401 CA GLU A 27 10.934 7.785 -1.107 1.00 0.00 C ATOM 402 C GLU A 27 11.290 7.379 -2.554 1.00 0.00 C ATOM 403 O GLU A 27 10.405 7.002 -3.286 1.00 0.00 O ATOM 404 CB GLU A 27 10.607 9.285 -1.061 1.00 0.00 C ATOM 405 CG GLU A 27 11.654 10.091 -0.323 1.00 0.00 C ATOM 406 CD GLU A 27 11.340 11.572 -0.434 1.00 0.00 C ATOM 407 OE1 GLU A 27 10.170 11.868 -0.598 1.00 0.00 O ATOM 408 OE2 GLU A 27 12.214 12.405 -0.361 1.00 0.00 O ATOM 0 H GLU A 27 12.494 8.154 0.300 1.00 0.00 H new ATOM 0 HA GLU A 27 10.051 7.206 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.515 9.663 -2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.640 9.427 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.682 9.794 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.641 9.888 -0.738 1.00 0.00 H new ATOM 415 N LEU A 28 12.500 7.420 -3.020 1.00 0.00 N ATOM 416 CA LEU A 28 12.809 7.011 -4.446 1.00 0.00 C ATOM 417 C LEU A 28 12.768 5.458 -4.489 1.00 0.00 C ATOM 418 O LEU A 28 12.567 4.830 -5.504 1.00 0.00 O ATOM 419 CB LEU A 28 14.150 7.557 -4.911 1.00 0.00 C ATOM 420 CG LEU A 28 15.323 6.687 -4.426 1.00 0.00 C ATOM 421 CD1 LEU A 28 15.881 5.868 -5.606 1.00 0.00 C ATOM 422 CD2 LEU A 28 16.398 7.560 -3.816 1.00 0.00 C ATOM 0 H LEU A 28 13.311 7.721 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 28 12.073 7.429 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.163 7.610 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.276 8.575 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 28 14.972 5.996 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.712 5.252 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.096 5.227 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.230 6.545 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 17.224 6.936 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.761 8.266 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.985 8.108 -2.969 1.00 0.00 H new ATOM 434 N MET A 29 12.960 4.888 -3.320 1.00 0.00 N ATOM 435 CA MET A 29 12.943 3.401 -3.145 1.00 0.00 C ATOM 436 C MET A 29 11.500 2.940 -3.324 1.00 0.00 C ATOM 437 O MET A 29 11.107 2.153 -4.187 1.00 0.00 O ATOM 438 CB MET A 29 13.418 3.091 -1.711 1.00 0.00 C ATOM 439 CG MET A 29 13.986 1.690 -1.602 1.00 0.00 C ATOM 440 SD MET A 29 15.528 1.804 -0.641 1.00 0.00 S ATOM 441 CE MET A 29 16.079 0.121 -0.975 1.00 0.00 C ATOM 0 H MET A 29 13.132 5.407 -2.459 1.00 0.00 H new ATOM 0 HA MET A 29 13.589 2.896 -3.863 1.00 0.00 H new ATOM 0 HB2 MET A 29 14.176 3.816 -1.414 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.583 3.201 -1.019 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.276 1.025 -1.111 1.00 0.00 H new ATOM 0 HG3 MET A 29 14.180 1.276 -2.591 1.00 0.00 H new ATOM 0 HE1 MET A 29 17.033 -0.055 -0.478 1.00 0.00 H new ATOM 0 HE2 MET A 29 15.338 -0.585 -0.600 1.00 0.00 H new ATOM 0 HE3 MET A 29 16.200 -0.016 -2.050 1.00 0.00 H new ATOM 451 N LEU A 30 10.669 3.479 -2.462 1.00 0.00 N ATOM 452 CA LEU A 30 9.215 3.180 -2.469 1.00 0.00 C ATOM 453 C LEU A 30 8.610 3.621 -3.818 1.00 0.00 C ATOM 454 O LEU A 30 7.732 3.026 -4.370 1.00 0.00 O ATOM 455 CB LEU A 30 8.540 4.009 -1.383 1.00 0.00 C ATOM 456 CG LEU A 30 8.457 3.185 -0.079 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.346 2.145 -0.208 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.777 2.452 0.226 1.00 0.00 C ATOM 0 H LEU A 30 10.956 4.133 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 30 9.066 2.113 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.102 4.927 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.541 4.303 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 30 8.253 3.880 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.285 1.562 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.395 2.648 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.564 1.482 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.673 1.885 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.012 1.771 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.581 3.180 0.335 1.00 0.00 H new ATOM 470 N SER A 31 9.155 4.707 -4.308 1.00 0.00 N ATOM 471 CA SER A 31 8.745 5.307 -5.608 1.00 0.00 C ATOM 472 C SER A 31 9.127 4.333 -6.741 1.00 0.00 C ATOM 473 O SER A 31 8.376 4.141 -7.660 1.00 0.00 O ATOM 474 CB SER A 31 9.498 6.602 -5.890 1.00 0.00 C ATOM 475 OG SER A 31 8.919 7.720 -5.222 1.00 0.00 O ATOM 0 H SER A 31 9.899 5.220 -3.836 1.00 0.00 H new ATOM 0 HA SER A 31 7.674 5.502 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.536 6.492 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.507 6.788 -6.964 1.00 0.00 H new ATOM 0 HG SER A 31 9.428 7.914 -4.408 1.00 0.00 H new ATOM 481 N MET A 32 10.258 3.714 -6.703 1.00 0.00 N ATOM 482 CA MET A 32 10.625 2.755 -7.800 1.00 0.00 C ATOM 483 C MET A 32 9.858 1.442 -7.704 1.00 0.00 C ATOM 484 O MET A 32 9.414 0.819 -8.666 1.00 0.00 O ATOM 485 CB MET A 32 12.109 2.414 -7.528 1.00 0.00 C ATOM 486 CG MET A 32 13.054 3.259 -8.353 1.00 0.00 C ATOM 487 SD MET A 32 14.731 2.545 -8.364 1.00 0.00 S ATOM 488 CE MET A 32 14.996 2.517 -6.581 1.00 0.00 C ATOM 0 H MET A 32 10.956 3.820 -5.966 1.00 0.00 H new ATOM 0 HA MET A 32 10.413 3.200 -8.772 1.00 0.00 H new ATOM 0 HB2 MET A 32 12.325 2.560 -6.470 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.283 1.360 -7.746 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.681 3.336 -9.374 1.00 0.00 H new ATOM 0 HG3 MET A 32 13.089 4.271 -7.950 1.00 0.00 H new ATOM 0 HE1 MET A 32 16.032 2.775 -6.363 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.334 3.240 -6.103 1.00 0.00 H new ATOM 0 HE3 MET A 32 14.782 1.520 -6.197 1.00 0.00 H new ATOM 498 N LEU A 33 9.682 1.009 -6.468 1.00 0.00 N ATOM 499 CA LEU A 33 8.995 -0.294 -6.161 1.00 0.00 C ATOM 500 C LEU A 33 7.523 -0.085 -6.510 1.00 0.00 C ATOM 501 O LEU A 33 6.850 -0.939 -7.012 1.00 0.00 O ATOM 502 CB LEU A 33 9.057 -0.553 -4.636 1.00 0.00 C ATOM 503 CG LEU A 33 10.132 -1.543 -4.237 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.078 -1.711 -2.703 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.861 -2.895 -4.886 1.00 0.00 C ATOM 0 H LEU A 33 9.995 1.519 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 33 9.456 -1.118 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.234 0.391 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.089 -0.923 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 33 11.108 -1.181 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.843 -2.420 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.257 -0.748 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.096 -2.084 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.638 -3.601 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.891 -3.268 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.860 -2.784 -5.970 1.00 0.00 H new ATOM 517 N PHE A 34 7.111 1.121 -6.200 1.00 0.00 N ATOM 518 CA PHE A 34 5.678 1.452 -6.560 1.00 0.00 C ATOM 519 C PHE A 34 5.594 1.805 -8.036 1.00 0.00 C ATOM 520 O PHE A 34 4.563 1.651 -8.640 1.00 0.00 O ATOM 521 CB PHE A 34 5.080 2.478 -5.628 1.00 0.00 C ATOM 522 CG PHE A 34 4.748 1.754 -4.328 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.010 0.565 -4.385 1.00 0.00 C ATOM 524 CD2 PHE A 34 5.148 2.213 -3.082 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.664 -0.175 -3.239 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.808 1.483 -1.946 1.00 0.00 C ATOM 527 CZ PHE A 34 4.071 0.291 -2.001 1.00 0.00 C ATOM 0 H PHE A 34 7.655 1.853 -5.744 1.00 0.00 H new ATOM 0 HA PHE A 34 5.050 0.573 -6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.782 3.292 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.184 2.920 -6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.693 0.200 -5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.717 3.127 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.093 -1.088 -3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.125 1.850 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.827 -0.250 -1.099 1.00 0.00 H new ATOM 537 N ASN A 35 6.701 2.246 -8.560 1.00 0.00 N ATOM 538 CA ASN A 35 6.838 2.611 -9.998 1.00 0.00 C ATOM 539 C ASN A 35 6.618 1.316 -10.814 1.00 0.00 C ATOM 540 O ASN A 35 5.988 1.405 -11.833 1.00 0.00 O ATOM 541 CB ASN A 35 8.227 3.127 -10.339 1.00 0.00 C ATOM 542 CG ASN A 35 8.710 2.470 -11.643 1.00 0.00 C ATOM 543 OD1 ASN A 35 8.130 2.738 -12.791 1.00 0.00 O flip ATOM 544 ND2 ASN A 35 9.647 1.699 -11.620 1.00 0.00 N flip ATOM 0 H ASN A 35 7.558 2.374 -8.023 1.00 0.00 H new ATOM 0 HA ASN A 35 6.118 3.398 -10.224 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.207 4.211 -10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.920 2.903 -9.528 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.107 1.482 -10.736 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.975 1.268 -12.485 1.00 0.00 H new ATOM 551 N GLN A 36 7.120 0.246 -10.289 1.00 0.00 N ATOM 552 CA GLN A 36 6.896 -1.072 -10.939 1.00 0.00 C ATOM 553 C GLN A 36 5.484 -1.175 -11.576 1.00 0.00 C ATOM 554 O GLN A 36 5.310 -1.824 -12.582 1.00 0.00 O ATOM 555 CB GLN A 36 6.905 -2.131 -9.822 1.00 0.00 C ATOM 556 CG GLN A 36 8.312 -2.440 -9.348 1.00 0.00 C ATOM 557 CD GLN A 36 8.974 -3.492 -10.256 1.00 0.00 C ATOM 558 OE1 GLN A 36 8.451 -3.767 -11.318 1.00 0.00 O ATOM 559 NE2 GLN A 36 10.083 -4.074 -9.879 1.00 0.00 N ATOM 0 H GLN A 36 7.678 0.221 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 36 7.661 -1.206 -11.704 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.308 -1.777 -8.981 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.435 -3.045 -10.184 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.909 -1.528 -9.345 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.283 -2.805 -8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.508 -3.831 -8.984 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.523 -4.771 -10.480 1.00 0.00 H new ATOM 568 N PHE A 37 4.577 -0.514 -10.926 1.00 0.00 N ATOM 569 CA PHE A 37 3.102 -0.401 -11.281 1.00 0.00 C ATOM 570 C PHE A 37 2.784 0.810 -12.165 1.00 0.00 C ATOM 571 O PHE A 37 3.050 1.955 -11.844 1.00 0.00 O ATOM 572 CB PHE A 37 2.353 -0.362 -9.911 1.00 0.00 C ATOM 573 CG PHE A 37 3.128 -1.336 -9.035 1.00 0.00 C ATOM 574 CD1 PHE A 37 3.389 -2.614 -9.591 1.00 0.00 C ATOM 575 CD2 PHE A 37 3.588 -1.036 -7.761 1.00 0.00 C ATOM 576 CE1 PHE A 37 4.103 -3.600 -8.909 1.00 0.00 C ATOM 577 CE2 PHE A 37 4.306 -2.034 -7.077 1.00 0.00 C ATOM 578 CZ PHE A 37 4.569 -3.292 -7.629 1.00 0.00 C ATOM 0 H PHE A 37 4.806 0.007 -10.080 1.00 0.00 H new ATOM 0 HA PHE A 37 2.780 -1.246 -11.890 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.352 0.642 -9.486 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.311 -0.664 -10.018 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.020 -2.833 -10.582 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.402 -0.072 -7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.288 -4.566 -9.355 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.670 -1.820 -6.083 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.131 -4.023 -7.067 1.00 0.00 H new ATOM 588 N PRO A 38 2.187 0.570 -13.331 1.00 0.00 N ATOM 589 CA PRO A 38 1.802 1.615 -14.317 1.00 0.00 C ATOM 590 C PRO A 38 0.809 2.631 -13.747 1.00 0.00 C ATOM 591 O PRO A 38 0.695 3.723 -14.250 1.00 0.00 O ATOM 592 CB PRO A 38 1.159 0.855 -15.496 1.00 0.00 C ATOM 593 CG PRO A 38 0.795 -0.553 -14.959 1.00 0.00 C ATOM 594 CD PRO A 38 1.806 -0.780 -13.841 1.00 0.00 C ATOM 0 HA PRO A 38 2.678 2.192 -14.612 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.271 1.375 -15.856 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.850 0.784 -16.336 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.229 -0.588 -14.587 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.879 -1.313 -15.736 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.374 -1.387 -13.045 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.680 -1.315 -14.212 1.00 0.00 H new ATOM 602 N GLY A 39 0.124 2.222 -12.711 1.00 0.00 N ATOM 603 CA GLY A 39 -0.873 3.138 -12.088 1.00 0.00 C ATOM 604 C GLY A 39 -0.209 3.861 -10.906 1.00 0.00 C ATOM 605 O GLY A 39 -0.919 4.482 -10.160 1.00 0.00 O ATOM 0 H GLY A 39 0.211 1.304 -12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.230 3.862 -12.821 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.741 2.575 -11.746 1.00 0.00 H new ATOM 609 N PHE A 40 1.071 3.734 -10.818 1.00 0.00 N ATOM 610 CA PHE A 40 1.820 4.396 -9.712 1.00 0.00 C ATOM 611 C PHE A 40 1.386 5.859 -9.688 1.00 0.00 C ATOM 612 O PHE A 40 1.640 6.571 -10.632 1.00 0.00 O ATOM 613 CB PHE A 40 3.304 4.371 -10.086 1.00 0.00 C ATOM 614 CG PHE A 40 4.103 5.425 -9.363 1.00 0.00 C ATOM 615 CD1 PHE A 40 3.749 5.820 -8.052 1.00 0.00 C ATOM 616 CD2 PHE A 40 5.200 6.029 -9.975 1.00 0.00 C ATOM 617 CE1 PHE A 40 4.462 6.788 -7.361 1.00 0.00 C ATOM 618 CE2 PHE A 40 5.917 7.016 -9.262 1.00 0.00 C ATOM 619 CZ PHE A 40 5.553 7.395 -7.966 1.00 0.00 C ATOM 0 H PHE A 40 1.646 3.196 -11.467 1.00 0.00 H new ATOM 0 HA PHE A 40 1.640 3.905 -8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.716 3.388 -9.857 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.406 4.517 -11.161 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.899 5.354 -7.575 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.496 5.748 -10.975 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.170 7.067 -6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.768 7.490 -9.730 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.116 8.153 -7.441 1.00 0.00 H new ATOM 629 N LYS A 41 0.743 6.277 -8.616 1.00 0.00 N ATOM 630 CA LYS A 41 0.307 7.693 -8.559 1.00 0.00 C ATOM 631 C LYS A 41 0.905 8.502 -7.418 1.00 0.00 C ATOM 632 O LYS A 41 1.394 9.608 -7.616 1.00 0.00 O ATOM 633 CB LYS A 41 -1.236 7.708 -8.479 1.00 0.00 C ATOM 634 CG LYS A 41 -1.748 8.658 -7.414 1.00 0.00 C ATOM 635 CD LYS A 41 -1.442 10.120 -7.737 1.00 0.00 C ATOM 636 CE LYS A 41 -2.738 10.876 -7.945 1.00 0.00 C ATOM 637 NZ LYS A 41 -2.630 11.830 -9.096 1.00 0.00 N ATOM 0 H LYS A 41 0.511 5.706 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 41 0.675 8.182 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.645 7.997 -9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.596 6.701 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.825 8.531 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.299 8.400 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.872 10.571 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.824 10.184 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.548 10.170 -8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.992 11.424 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.532 12.334 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.872 12.517 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.411 11.302 -9.965 1.00 0.00 H new ATOM 651 N GLU A 42 0.873 7.984 -6.230 1.00 0.00 N ATOM 652 CA GLU A 42 1.423 8.721 -5.086 1.00 0.00 C ATOM 653 C GLU A 42 2.142 7.712 -4.173 1.00 0.00 C ATOM 654 O GLU A 42 1.722 6.592 -4.019 1.00 0.00 O ATOM 655 CB GLU A 42 0.372 9.547 -4.330 1.00 0.00 C ATOM 656 CG GLU A 42 0.613 11.043 -4.638 1.00 0.00 C ATOM 657 CD GLU A 42 1.278 11.723 -3.450 1.00 0.00 C ATOM 658 OE1 GLU A 42 0.612 11.906 -2.432 1.00 0.00 O ATOM 659 OE2 GLU A 42 2.437 12.035 -3.594 1.00 0.00 O ATOM 0 H GLU A 42 0.482 7.069 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 42 2.132 9.463 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.632 9.254 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.445 9.364 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.242 11.143 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.334 11.533 -4.863 1.00 0.00 H new ATOM 666 N VAL A 43 3.218 8.191 -3.608 1.00 0.00 N ATOM 667 CA VAL A 43 4.103 7.447 -2.713 1.00 0.00 C ATOM 668 C VAL A 43 4.565 8.422 -1.614 1.00 0.00 C ATOM 669 O VAL A 43 5.145 9.436 -1.893 1.00 0.00 O ATOM 670 CB VAL A 43 5.292 6.812 -3.422 1.00 0.00 C ATOM 671 CG1 VAL A 43 4.793 5.571 -4.171 1.00 0.00 C ATOM 672 CG2 VAL A 43 5.890 7.847 -4.364 1.00 0.00 C ATOM 0 H VAL A 43 3.527 9.152 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 43 3.552 6.607 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 43 6.068 6.499 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.628 5.098 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.360 4.867 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.036 5.865 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.745 7.415 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.139 8.153 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.215 8.715 -3.791 1.00 0.00 H new ATOM 682 N ARG A 44 4.207 8.024 -0.446 1.00 0.00 N ATOM 683 CA ARG A 44 4.418 8.806 0.812 1.00 0.00 C ATOM 684 C ARG A 44 5.321 7.967 1.736 1.00 0.00 C ATOM 685 O ARG A 44 4.839 7.186 2.511 1.00 0.00 O ATOM 686 CB ARG A 44 3.114 9.057 1.550 1.00 0.00 C ATOM 687 CG ARG A 44 3.085 10.477 2.157 1.00 0.00 C ATOM 688 CD ARG A 44 2.283 11.349 1.198 1.00 0.00 C ATOM 689 NE ARG A 44 2.753 11.056 -0.180 1.00 0.00 N ATOM 690 CZ ARG A 44 3.226 12.009 -0.912 1.00 0.00 C ATOM 691 NH1 ARG A 44 2.508 13.085 -1.155 1.00 0.00 N ATOM 692 NH2 ARG A 44 4.417 11.895 -1.402 1.00 0.00 N ATOM 0 H ARG A 44 3.744 7.129 -0.289 1.00 0.00 H new ATOM 0 HA ARG A 44 4.859 9.768 0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.275 8.933 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.992 8.317 2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.626 10.466 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.096 10.866 2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.217 11.140 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.422 12.404 1.433 1.00 0.00 H new ATOM 0 HE ARG A 44 2.702 10.106 -0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.570 13.171 -0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.890 13.833 -1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.970 11.060 -1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.803 12.640 -1.982 1.00 0.00 H new ATOM 706 N LEU A 45 6.577 8.210 1.559 1.00 0.00 N ATOM 707 CA LEU A 45 7.663 7.577 2.357 1.00 0.00 C ATOM 708 C LEU A 45 8.762 8.640 2.523 1.00 0.00 C ATOM 709 O LEU A 45 9.628 8.692 1.657 1.00 0.00 O ATOM 710 CB LEU A 45 8.257 6.432 1.536 1.00 0.00 C ATOM 711 CG LEU A 45 9.110 5.505 2.433 1.00 0.00 C ATOM 712 CD1 LEU A 45 10.262 6.247 3.089 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.226 4.897 3.541 1.00 0.00 C ATOM 0 H LEU A 45 6.920 8.860 0.852 1.00 0.00 H new ATOM 0 HA LEU A 45 7.292 7.212 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.456 5.859 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.872 6.835 0.731 1.00 0.00 H new ATOM 0 HG LEU A 45 9.522 4.725 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.833 5.556 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.911 6.665 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.870 7.052 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.830 4.244 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.802 5.697 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.420 4.320 3.088 1.00 0.00 H new ATOM 725 N VAL A 46 8.747 9.450 3.534 1.00 0.00 N ATOM 726 CA VAL A 46 9.830 10.486 3.609 1.00 0.00 C ATOM 727 C VAL A 46 10.784 10.044 4.728 1.00 0.00 C ATOM 728 O VAL A 46 10.316 10.026 5.836 1.00 0.00 O ATOM 729 CB VAL A 46 9.160 11.814 4.050 1.00 0.00 C ATOM 730 CG1 VAL A 46 10.228 12.922 4.248 1.00 0.00 C ATOM 731 CG2 VAL A 46 8.093 12.252 3.062 1.00 0.00 C ATOM 0 H VAL A 46 8.064 9.452 4.292 1.00 0.00 H new ATOM 0 HA VAL A 46 10.354 10.606 2.661 1.00 0.00 H new ATOM 0 HB VAL A 46 8.666 11.641 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.740 13.846 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.937 12.611 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.758 13.088 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.644 13.185 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.545 12.402 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.323 11.483 2.993 1.00 0.00 H new ATOM 741 N PRO A 47 12.004 9.716 4.457 1.00 0.00 N ATOM 742 CA PRO A 47 13.054 9.280 5.387 1.00 0.00 C ATOM 743 C PRO A 47 12.729 9.498 6.851 1.00 0.00 C ATOM 744 O PRO A 47 12.945 8.571 7.625 1.00 0.00 O ATOM 745 CB PRO A 47 14.147 10.228 4.839 1.00 0.00 C ATOM 746 CG PRO A 47 14.048 9.893 3.317 1.00 0.00 C ATOM 747 CD PRO A 47 12.517 9.744 3.076 1.00 0.00 C ATOM 0 HA PRO A 47 13.280 8.214 5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.936 11.276 5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.133 10.012 5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.476 10.686 2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.584 8.976 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.109 10.577 2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.274 8.833 2.530 1.00 0.00 H new ATOM 755 N GLY A 48 12.219 10.611 7.299 1.00 0.00 N ATOM 756 CA GLY A 48 11.879 10.654 8.767 1.00 0.00 C ATOM 757 C GLY A 48 10.755 9.594 8.891 1.00 0.00 C ATOM 758 O GLY A 48 10.827 8.701 9.701 1.00 0.00 O ATOM 0 H GLY A 48 12.027 11.454 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.739 10.406 9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.538 11.643 9.074 1.00 0.00 H new ATOM 762 N ARG A 49 9.804 9.760 8.026 1.00 0.00 N ATOM 763 CA ARG A 49 8.654 8.839 7.840 1.00 0.00 C ATOM 764 C ARG A 49 9.178 7.722 6.892 1.00 0.00 C ATOM 765 O ARG A 49 8.647 7.505 5.825 1.00 0.00 O ATOM 766 CB ARG A 49 7.501 9.512 7.084 1.00 0.00 C ATOM 767 CG ARG A 49 6.742 10.467 7.981 1.00 0.00 C ATOM 768 CD ARG A 49 6.384 9.674 9.259 1.00 0.00 C ATOM 769 NE ARG A 49 7.274 10.177 10.329 1.00 0.00 N ATOM 770 CZ ARG A 49 6.911 10.107 11.582 1.00 0.00 C ATOM 771 NH1 ARG A 49 6.545 8.969 12.092 1.00 0.00 N ATOM 772 NH2 ARG A 49 6.904 11.161 12.352 1.00 0.00 N ATOM 0 H ARG A 49 9.778 10.559 7.393 1.00 0.00 H new ATOM 0 HA ARG A 49 8.296 8.500 8.812 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.894 10.052 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.821 8.751 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.350 11.339 8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.842 10.833 7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.337 9.819 9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.528 8.605 9.105 1.00 0.00 H new ATOM 0 HE ARG A 49 8.178 10.582 10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.541 8.129 11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.262 8.916 13.070 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.187 12.067 11.979 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.616 11.078 13.327 1.00 0.00 H new ATOM 786 N HIS A 50 10.201 7.031 7.330 1.00 0.00 N ATOM 787 CA HIS A 50 10.850 5.853 6.598 1.00 0.00 C ATOM 788 C HIS A 50 10.193 4.591 7.233 1.00 0.00 C ATOM 789 O HIS A 50 10.691 3.499 7.211 1.00 0.00 O ATOM 790 CB HIS A 50 12.339 5.680 6.862 1.00 0.00 C ATOM 791 CG HIS A 50 12.666 5.917 8.330 1.00 0.00 C ATOM 792 ND1 HIS A 50 11.758 5.909 9.361 1.00 0.00 N ATOM 793 CD2 HIS A 50 13.876 6.184 8.934 1.00 0.00 C ATOM 794 CE1 HIS A 50 12.419 6.159 10.498 1.00 0.00 C ATOM 795 NE2 HIS A 50 13.737 6.343 10.321 1.00 0.00 N ATOM 0 H HIS A 50 10.652 7.237 8.221 1.00 0.00 H new ATOM 0 HA HIS A 50 10.716 6.009 5.528 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.648 4.675 6.575 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.905 6.376 6.243 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.814 6.261 8.405 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.939 6.208 11.464 1.00 0.00 H new ATOM 0 HE2 HIS A 50 14.454 6.546 11.017 1.00 0.00 H new ATOM 804 N ASP A 51 9.037 4.831 7.818 1.00 0.00 N ATOM 805 CA ASP A 51 8.245 3.791 8.535 1.00 0.00 C ATOM 806 C ASP A 51 6.755 3.800 8.263 1.00 0.00 C ATOM 807 O ASP A 51 6.076 2.875 8.624 1.00 0.00 O ATOM 808 CB ASP A 51 8.435 4.073 10.042 1.00 0.00 C ATOM 809 CG ASP A 51 8.205 5.541 10.371 1.00 0.00 C ATOM 810 OD1 ASP A 51 7.429 6.137 9.644 1.00 0.00 O ATOM 811 OD2 ASP A 51 8.803 6.030 11.330 1.00 0.00 O ATOM 0 H ASP A 51 8.598 5.752 7.822 1.00 0.00 H new ATOM 0 HA ASP A 51 8.605 2.822 8.190 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.743 3.458 10.618 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.443 3.786 10.342 1.00 0.00 H new ATOM 816 N ILE A 52 6.184 4.803 7.618 1.00 0.00 N ATOM 817 CA ILE A 52 4.740 4.885 7.316 1.00 0.00 C ATOM 818 C ILE A 52 4.692 5.145 5.791 1.00 0.00 C ATOM 819 O ILE A 52 5.163 6.145 5.301 1.00 0.00 O ATOM 820 CB ILE A 52 3.986 5.924 8.114 1.00 0.00 C ATOM 821 CG1 ILE A 52 4.504 7.349 7.875 1.00 0.00 C ATOM 822 CG2 ILE A 52 4.056 5.548 9.606 1.00 0.00 C ATOM 823 CD1 ILE A 52 3.450 8.126 7.080 1.00 0.00 C ATOM 0 H ILE A 52 6.711 5.607 7.277 1.00 0.00 H new ATOM 0 HA ILE A 52 4.227 3.968 7.606 1.00 0.00 H new ATOM 0 HB ILE A 52 2.949 5.928 7.779 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.701 7.844 8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.446 7.322 7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.516 6.290 10.194 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.604 4.567 9.756 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.098 5.520 9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.804 9.141 6.902 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.276 7.630 6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.519 8.160 7.646 1.00 0.00 H new ATOM 835 N ALA A 53 4.137 4.185 5.082 1.00 0.00 N ATOM 836 CA ALA A 53 4.097 4.218 3.612 1.00 0.00 C ATOM 837 C ALA A 53 2.637 4.355 3.119 1.00 0.00 C ATOM 838 O ALA A 53 1.813 3.502 3.412 1.00 0.00 O ATOM 839 CB ALA A 53 4.625 2.911 2.992 1.00 0.00 C ATOM 0 H ALA A 53 3.700 3.360 5.492 1.00 0.00 H new ATOM 0 HA ALA A 53 4.716 5.063 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.578 2.979 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.658 2.753 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.013 2.075 3.330 1.00 0.00 H new ATOM 845 N PHE A 54 2.456 5.441 2.439 1.00 0.00 N ATOM 846 CA PHE A 54 1.155 5.846 1.789 1.00 0.00 C ATOM 847 C PHE A 54 1.281 5.842 0.244 1.00 0.00 C ATOM 848 O PHE A 54 1.857 6.685 -0.395 1.00 0.00 O ATOM 849 CB PHE A 54 0.718 7.241 2.200 1.00 0.00 C ATOM 850 CG PHE A 54 -0.726 7.250 2.695 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.754 7.272 1.760 1.00 0.00 C ATOM 852 CD2 PHE A 54 -1.003 7.236 4.060 1.00 0.00 C ATOM 853 CE1 PHE A 54 -3.074 7.281 2.256 1.00 0.00 C ATOM 854 CE2 PHE A 54 -2.319 7.242 4.553 1.00 0.00 C ATOM 855 CZ PHE A 54 -3.353 7.265 3.617 1.00 0.00 C ATOM 0 H PHE A 54 3.202 6.121 2.290 1.00 0.00 H new ATOM 0 HA PHE A 54 0.417 5.116 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.376 7.613 2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.818 7.919 1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.551 7.282 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.181 7.220 4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.895 7.301 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.522 7.229 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.379 7.270 3.953 1.00 0.00 H new ATOM 865 N VAL A 55 0.712 4.768 -0.310 1.00 0.00 N ATOM 866 CA VAL A 55 0.770 4.446 -1.740 1.00 0.00 C ATOM 867 C VAL A 55 -0.598 4.406 -2.416 1.00 0.00 C ATOM 868 O VAL A 55 -1.472 3.578 -2.286 1.00 0.00 O ATOM 869 CB VAL A 55 1.389 3.024 -1.857 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.899 2.873 -3.269 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.581 2.934 -0.903 1.00 0.00 C ATOM 0 H VAL A 55 0.187 4.083 0.234 1.00 0.00 H new ATOM 0 HA VAL A 55 1.351 5.225 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 55 0.656 2.254 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.342 1.885 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.072 2.989 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.652 3.636 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.028 1.942 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.322 3.686 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.244 3.110 0.118 1.00 0.00 H new ATOM 881 N GLU A 56 -0.744 5.413 -3.221 1.00 0.00 N ATOM 882 CA GLU A 56 -1.935 5.728 -4.057 1.00 0.00 C ATOM 883 C GLU A 56 -1.654 5.345 -5.530 1.00 0.00 C ATOM 884 O GLU A 56 -0.961 5.988 -6.264 1.00 0.00 O ATOM 885 CB GLU A 56 -2.309 7.205 -4.046 1.00 0.00 C ATOM 886 CG GLU A 56 -3.685 7.489 -4.684 1.00 0.00 C ATOM 887 CD GLU A 56 -3.811 8.976 -5.036 1.00 0.00 C ATOM 888 OE1 GLU A 56 -2.893 9.705 -4.690 1.00 0.00 O ATOM 889 OE2 GLU A 56 -4.822 9.294 -5.636 1.00 0.00 O ATOM 0 H GLU A 56 -0.002 6.103 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.759 5.157 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.312 7.565 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.545 7.771 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.809 6.884 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.479 7.203 -3.995 1.00 0.00 H new ATOM 896 N PHE A 57 -2.219 4.217 -5.893 1.00 0.00 N ATOM 897 CA PHE A 57 -2.059 3.564 -7.205 1.00 0.00 C ATOM 898 C PHE A 57 -3.325 3.722 -8.084 1.00 0.00 C ATOM 899 O PHE A 57 -4.295 3.093 -7.778 1.00 0.00 O ATOM 900 CB PHE A 57 -1.857 2.041 -7.139 1.00 0.00 C ATOM 901 CG PHE A 57 -1.103 1.532 -5.950 1.00 0.00 C ATOM 902 CD1 PHE A 57 -1.513 1.618 -4.626 1.00 0.00 C ATOM 903 CD2 PHE A 57 0.127 0.898 -6.228 1.00 0.00 C ATOM 904 CE1 PHE A 57 -0.728 1.094 -3.589 1.00 0.00 C ATOM 905 CE2 PHE A 57 0.891 0.383 -5.189 1.00 0.00 C ATOM 906 CZ PHE A 57 0.502 0.460 -3.852 1.00 0.00 C ATOM 0 H PHE A 57 -2.832 3.694 -5.267 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.177 4.059 -7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.836 1.563 -7.156 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.332 1.724 -8.040 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.452 2.097 -4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.474 0.814 -7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.073 1.178 -2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.828 -0.099 -5.427 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.113 0.054 -3.059 1.00 0.00 H new ATOM 916 N ASP A 58 -3.168 4.561 -9.034 1.00 0.00 N ATOM 917 CA ASP A 58 -4.230 4.912 -10.042 1.00 0.00 C ATOM 918 C ASP A 58 -5.384 3.930 -10.008 1.00 0.00 C ATOM 919 O ASP A 58 -6.515 4.346 -9.912 1.00 0.00 O ATOM 920 CB ASP A 58 -3.583 5.009 -11.438 1.00 0.00 C ATOM 921 CG ASP A 58 -4.529 5.722 -12.413 1.00 0.00 C ATOM 922 OD1 ASP A 58 -5.721 5.507 -12.359 1.00 0.00 O ATOM 923 OD2 ASP A 58 -3.998 6.483 -13.191 1.00 0.00 O ATOM 0 H ASP A 58 -2.294 5.065 -9.182 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.661 5.881 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.640 5.552 -11.373 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.351 4.011 -11.809 1.00 0.00 H new ATOM 928 N ASN A 59 -5.104 2.665 -10.065 1.00 0.00 N ATOM 929 CA ASN A 59 -6.216 1.657 -9.994 1.00 0.00 C ATOM 930 C ASN A 59 -5.789 0.436 -9.146 1.00 0.00 C ATOM 931 O ASN A 59 -4.671 0.032 -9.122 1.00 0.00 O ATOM 932 CB ASN A 59 -6.732 1.260 -11.364 1.00 0.00 C ATOM 933 CG ASN A 59 -6.393 -0.159 -11.775 1.00 0.00 C ATOM 934 OD1 ASN A 59 -5.360 -0.735 -11.574 1.00 0.00 O ATOM 935 ND2 ASN A 59 -7.321 -0.825 -12.433 1.00 0.00 N ATOM 0 H ASN A 59 -4.165 2.276 -10.157 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.059 2.131 -9.492 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.815 1.381 -11.380 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.324 1.947 -12.105 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.141 -1.780 -12.743 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.219 -0.385 -12.633 1.00 0.00 H new ATOM 942 N GLU A 60 -6.745 -0.094 -8.467 1.00 0.00 N ATOM 943 CA GLU A 60 -6.598 -1.289 -7.553 1.00 0.00 C ATOM 944 C GLU A 60 -6.095 -2.550 -8.253 1.00 0.00 C ATOM 945 O GLU A 60 -5.618 -3.451 -7.624 1.00 0.00 O ATOM 946 CB GLU A 60 -7.867 -1.519 -6.737 1.00 0.00 C ATOM 947 CG GLU A 60 -7.634 -2.633 -5.689 1.00 0.00 C ATOM 948 CD GLU A 60 -7.971 -4.009 -6.227 1.00 0.00 C ATOM 949 OE1 GLU A 60 -8.954 -4.163 -6.949 1.00 0.00 O ATOM 950 OE2 GLU A 60 -7.237 -4.919 -5.922 1.00 0.00 O ATOM 0 H GLU A 60 -7.699 0.266 -8.498 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.801 -1.042 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.159 -0.595 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.688 -1.797 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.592 -2.616 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.242 -2.432 -4.807 1.00 0.00 H new ATOM 957 N VAL A 61 -6.163 -2.744 -9.557 1.00 0.00 N ATOM 958 CA VAL A 61 -5.589 -4.021 -10.140 1.00 0.00 C ATOM 959 C VAL A 61 -4.044 -3.871 -9.994 1.00 0.00 C ATOM 960 O VAL A 61 -3.284 -4.751 -9.668 1.00 0.00 O ATOM 961 CB VAL A 61 -6.004 -4.243 -11.581 1.00 0.00 C ATOM 962 CG1 VAL A 61 -5.466 -5.623 -12.029 1.00 0.00 C ATOM 963 CG2 VAL A 61 -7.533 -4.275 -11.638 1.00 0.00 C ATOM 0 H VAL A 61 -6.577 -2.098 -10.229 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.965 -4.900 -9.616 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.615 -3.453 -12.224 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.752 -5.806 -13.065 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.379 -5.634 -11.945 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.887 -6.402 -11.393 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.855 -4.434 -12.667 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.904 -5.087 -11.012 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.931 -3.327 -11.276 1.00 0.00 H new ATOM 973 N GLN A 62 -3.646 -2.640 -10.250 1.00 0.00 N ATOM 974 CA GLN A 62 -2.211 -2.289 -10.112 1.00 0.00 C ATOM 975 C GLN A 62 -1.933 -2.059 -8.625 1.00 0.00 C ATOM 976 O GLN A 62 -0.808 -2.323 -8.211 1.00 0.00 O ATOM 977 CB GLN A 62 -1.753 -1.030 -10.868 1.00 0.00 C ATOM 978 CG GLN A 62 -2.383 -0.853 -12.255 1.00 0.00 C ATOM 979 CD GLN A 62 -2.850 0.600 -12.474 1.00 0.00 C ATOM 980 OE1 GLN A 62 -3.465 1.151 -11.599 1.00 0.00 O ATOM 981 NE2 GLN A 62 -2.602 1.262 -13.571 1.00 0.00 N ATOM 0 H GLN A 62 -4.256 -1.878 -10.545 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.658 -3.119 -10.551 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.987 -0.154 -10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.669 -1.062 -10.977 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.659 -1.125 -13.023 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.231 -1.530 -12.361 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.082 0.818 -14.328 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.928 2.223 -13.671 1.00 0.00 H new ATOM 990 N ALA A 63 -2.847 -1.608 -7.852 1.00 0.00 N ATOM 991 CA ALA A 63 -2.487 -1.388 -6.414 1.00 0.00 C ATOM 992 C ALA A 63 -2.404 -2.791 -5.780 1.00 0.00 C ATOM 993 O ALA A 63 -1.580 -3.060 -4.949 1.00 0.00 O ATOM 994 CB ALA A 63 -3.601 -0.589 -5.764 1.00 0.00 C ATOM 0 H ALA A 63 -3.805 -1.382 -8.120 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.548 -0.848 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.361 -0.416 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.708 0.368 -6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.536 -1.144 -5.835 1.00 0.00 H new ATOM 1000 N GLY A 64 -3.307 -3.598 -6.253 1.00 0.00 N ATOM 1001 CA GLY A 64 -3.465 -5.028 -5.829 1.00 0.00 C ATOM 1002 C GLY A 64 -2.279 -5.772 -6.386 1.00 0.00 C ATOM 1003 O GLY A 64 -1.777 -6.717 -5.771 1.00 0.00 O ATOM 0 H GLY A 64 -3.985 -3.311 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.499 -5.109 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.398 -5.445 -6.209 1.00 0.00 H new ATOM 1007 N ALA A 65 -1.774 -5.416 -7.519 1.00 0.00 N ATOM 1008 CA ALA A 65 -0.592 -6.083 -8.140 1.00 0.00 C ATOM 1009 C ALA A 65 0.583 -5.769 -7.189 1.00 0.00 C ATOM 1010 O ALA A 65 1.240 -6.646 -6.673 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.287 -5.429 -9.472 1.00 0.00 C ATOM 0 H ALA A 65 -2.148 -4.648 -8.077 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.760 -7.149 -8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.576 -5.915 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.149 -5.528 -10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.068 -4.372 -9.317 1.00 0.00 H new ATOM 1017 N ALA A 66 0.799 -4.493 -6.971 1.00 0.00 N ATOM 1018 CA ALA A 66 1.845 -3.939 -6.082 1.00 0.00 C ATOM 1019 C ALA A 66 1.729 -4.557 -4.691 1.00 0.00 C ATOM 1020 O ALA A 66 2.683 -5.014 -4.070 1.00 0.00 O ATOM 1021 CB ALA A 66 1.604 -2.419 -5.943 1.00 0.00 C ATOM 0 H ALA A 66 0.239 -3.767 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 66 2.828 -4.153 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.364 -1.988 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.661 -1.950 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.617 -2.245 -5.514 1.00 0.00 H new ATOM 1027 N ARG A 67 0.532 -4.590 -4.189 1.00 0.00 N ATOM 1028 CA ARG A 67 0.232 -5.169 -2.853 1.00 0.00 C ATOM 1029 C ARG A 67 0.624 -6.647 -2.873 1.00 0.00 C ATOM 1030 O ARG A 67 1.391 -7.046 -2.050 1.00 0.00 O ATOM 1031 CB ARG A 67 -1.264 -5.012 -2.592 1.00 0.00 C ATOM 1032 CG ARG A 67 -1.493 -5.240 -1.074 1.00 0.00 C ATOM 1033 CD ARG A 67 -1.363 -6.723 -0.697 1.00 0.00 C ATOM 1034 NE ARG A 67 -2.577 -7.150 0.044 1.00 0.00 N ATOM 1035 CZ ARG A 67 -2.501 -7.491 1.303 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -2.245 -8.725 1.590 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -2.680 -6.582 2.222 1.00 0.00 N ATOM 0 H ARG A 67 -0.288 -4.223 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 67 0.788 -4.664 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.604 -4.019 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.834 -5.732 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.770 -4.655 -0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.484 -4.879 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.239 -7.329 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.475 -6.878 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.478 -7.177 -0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.108 -9.405 0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.180 -9.019 2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.877 -5.618 1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.623 -6.836 3.208 1.00 0.00 H new ATOM 1051 N ASP A 68 0.137 -7.432 -3.784 1.00 0.00 N ATOM 1052 CA ASP A 68 0.488 -8.886 -3.899 1.00 0.00 C ATOM 1053 C ASP A 68 2.007 -9.064 -4.166 1.00 0.00 C ATOM 1054 O ASP A 68 2.602 -10.057 -3.843 1.00 0.00 O ATOM 1055 CB ASP A 68 -0.357 -9.579 -4.995 1.00 0.00 C ATOM 1056 CG ASP A 68 -0.874 -10.926 -4.447 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -1.943 -10.912 -3.851 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -0.168 -11.883 -4.658 1.00 0.00 O ATOM 0 H ASP A 68 -0.524 -7.116 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 68 0.253 -9.367 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.194 -8.943 -5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.245 -9.741 -5.889 1.00 0.00 H new ATOM 1063 N ALA A 69 2.653 -8.081 -4.761 1.00 0.00 N ATOM 1064 CA ALA A 69 4.114 -8.139 -5.054 1.00 0.00 C ATOM 1065 C ALA A 69 4.852 -7.986 -3.703 1.00 0.00 C ATOM 1066 O ALA A 69 5.795 -8.694 -3.472 1.00 0.00 O ATOM 1067 CB ALA A 69 4.559 -7.007 -5.977 1.00 0.00 C ATOM 0 H ALA A 69 2.205 -7.216 -5.062 1.00 0.00 H new ATOM 0 HA ALA A 69 4.340 -9.081 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.630 -7.089 -6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.020 -7.075 -6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.345 -6.048 -5.506 1.00 0.00 H new ATOM 1073 N LEU A 70 4.386 -7.068 -2.875 1.00 0.00 N ATOM 1074 CA LEU A 70 5.070 -6.892 -1.543 1.00 0.00 C ATOM 1075 C LEU A 70 3.963 -6.968 -0.476 1.00 0.00 C ATOM 1076 O LEU A 70 3.810 -6.124 0.398 1.00 0.00 O ATOM 1077 CB LEU A 70 5.819 -5.568 -1.450 1.00 0.00 C ATOM 1078 CG LEU A 70 4.857 -4.375 -1.505 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.225 -3.419 -0.373 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.141 -3.646 -2.816 1.00 0.00 C ATOM 0 H LEU A 70 3.591 -6.454 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 70 5.822 -7.668 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.389 -5.535 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.537 -5.496 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 70 3.818 -4.696 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.554 -2.560 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.131 -3.934 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.253 -3.080 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.479 -2.784 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.178 -3.310 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.969 -4.323 -3.653 1.00 0.00 H new ATOM 1092 N GLN A 71 3.191 -8.021 -0.585 1.00 0.00 N ATOM 1093 CA GLN A 71 2.042 -8.295 0.346 1.00 0.00 C ATOM 1094 C GLN A 71 2.529 -8.939 1.631 1.00 0.00 C ATOM 1095 O GLN A 71 1.818 -9.212 2.563 1.00 0.00 O ATOM 1096 CB GLN A 71 1.073 -9.242 -0.376 1.00 0.00 C ATOM 1097 CG GLN A 71 1.041 -10.621 0.261 1.00 0.00 C ATOM 1098 CD GLN A 71 0.324 -11.627 -0.656 1.00 0.00 C ATOM 1099 OE1 GLN A 71 0.847 -12.698 -0.882 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -0.828 -11.363 -1.196 1.00 0.00 N ATOM 0 H GLN A 71 3.312 -8.731 -1.308 1.00 0.00 H new ATOM 0 HA GLN A 71 1.548 -7.360 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.071 -8.814 -0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.367 -9.333 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.058 -10.960 0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.531 -10.571 1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.282 -10.467 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.278 -12.051 -1.799 1.00 0.00 H new ATOM 1109 N GLY A 72 3.798 -9.194 1.690 1.00 0.00 N ATOM 1110 CA GLY A 72 4.352 -9.821 2.909 1.00 0.00 C ATOM 1111 C GLY A 72 5.875 -9.564 2.884 1.00 0.00 C ATOM 1112 O GLY A 72 6.598 -10.477 3.181 1.00 0.00 O ATOM 0 H GLY A 72 4.473 -8.997 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.901 -9.392 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.140 -10.890 2.926 1.00 0.00 H new ATOM 1116 N PHE A 73 6.242 -8.372 2.536 1.00 0.00 N ATOM 1117 CA PHE A 73 7.658 -7.948 2.455 1.00 0.00 C ATOM 1118 C PHE A 73 8.309 -8.268 3.813 1.00 0.00 C ATOM 1119 O PHE A 73 8.361 -7.390 4.658 1.00 0.00 O ATOM 1120 CB PHE A 73 7.806 -6.465 2.120 1.00 0.00 C ATOM 1121 CG PHE A 73 9.230 -6.186 1.681 1.00 0.00 C ATOM 1122 CD1 PHE A 73 10.240 -7.143 1.703 1.00 0.00 C ATOM 1123 CD2 PHE A 73 9.532 -4.879 1.231 1.00 0.00 C ATOM 1124 CE1 PHE A 73 11.531 -6.808 1.284 1.00 0.00 C ATOM 1125 CE2 PHE A 73 10.825 -4.572 0.816 1.00 0.00 C ATOM 1126 CZ PHE A 73 11.846 -5.523 0.835 1.00 0.00 C ATOM 0 H PHE A 73 5.580 -7.635 2.291 1.00 0.00 H new ATOM 0 HA PHE A 73 8.151 -8.486 1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.109 -6.189 1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.557 -5.858 2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.026 -8.145 2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.762 -4.122 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.304 -7.562 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.043 -3.572 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.846 -5.274 0.513 1.00 0.00 H new ATOM 1136 N LYS A 74 8.763 -9.468 3.958 1.00 0.00 N ATOM 1137 CA LYS A 74 9.421 -9.934 5.217 1.00 0.00 C ATOM 1138 C LYS A 74 10.782 -9.208 5.275 1.00 0.00 C ATOM 1139 O LYS A 74 11.764 -9.740 4.805 1.00 0.00 O ATOM 1140 CB LYS A 74 9.590 -11.450 5.248 1.00 0.00 C ATOM 1141 CG LYS A 74 10.131 -11.921 3.897 1.00 0.00 C ATOM 1142 CD LYS A 74 11.342 -12.814 4.141 1.00 0.00 C ATOM 1143 CE LYS A 74 11.819 -13.472 2.851 1.00 0.00 C ATOM 1144 NZ LYS A 74 12.853 -14.513 3.143 1.00 0.00 N ATOM 0 H LYS A 74 8.707 -10.182 3.231 1.00 0.00 H new ATOM 0 HA LYS A 74 8.808 -9.699 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.274 -11.736 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.635 -11.931 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.362 -12.468 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.410 -11.065 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.151 -12.223 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.088 -13.583 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.974 -13.926 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.233 -12.717 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.166 -14.950 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.667 -14.071 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.446 -15.242 3.763 1.00 0.00 H new ATOM 1158 N ILE A 75 10.752 -8.044 5.843 1.00 0.00 N ATOM 1159 CA ILE A 75 12.025 -7.250 5.948 1.00 0.00 C ATOM 1160 C ILE A 75 13.060 -8.113 6.664 1.00 0.00 C ATOM 1161 O ILE A 75 14.249 -8.011 6.407 1.00 0.00 O ATOM 1162 CB ILE A 75 11.692 -5.966 6.688 1.00 0.00 C ATOM 1163 CG1 ILE A 75 11.208 -4.914 5.664 1.00 0.00 C ATOM 1164 CG2 ILE A 75 12.928 -5.376 7.389 1.00 0.00 C ATOM 1165 CD1 ILE A 75 9.844 -4.356 6.081 1.00 0.00 C ATOM 0 H ILE A 75 9.922 -7.602 6.238 1.00 0.00 H new ATOM 0 HA ILE A 75 12.448 -6.979 4.981 1.00 0.00 H new ATOM 0 HB ILE A 75 10.931 -6.201 7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.934 -4.104 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.137 -5.365 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.649 -4.458 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 75 13.316 -6.096 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 75 13.696 -5.155 6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.515 -3.616 5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.118 -5.168 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.927 -3.887 7.061 1.00 0.00 H new ATOM 1177 N THR A 76 12.607 -8.954 7.555 1.00 0.00 N ATOM 1178 CA THR A 76 13.559 -9.835 8.300 1.00 0.00 C ATOM 1179 C THR A 76 13.101 -11.313 8.278 1.00 0.00 C ATOM 1180 O THR A 76 13.906 -12.180 8.011 1.00 0.00 O ATOM 1181 CB THR A 76 13.645 -9.440 9.781 1.00 0.00 C ATOM 1182 OG1 THR A 76 14.210 -8.156 9.955 1.00 0.00 O ATOM 1183 CG2 THR A 76 14.567 -10.453 10.482 1.00 0.00 C ATOM 0 H THR A 76 11.624 -9.070 7.800 1.00 0.00 H new ATOM 0 HA THR A 76 14.522 -9.715 7.803 1.00 0.00 H new ATOM 0 HB THR A 76 12.636 -9.432 10.194 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.814 -7.728 10.743 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.649 -10.199 11.539 1.00 0.00 H new ATOM 0 HG22 THR A 76 14.150 -11.455 10.381 1.00 0.00 H new ATOM 0 HG23 THR A 76 15.556 -10.423 10.024 1.00 0.00 H new ATOM 1191 N GLN A 77 11.858 -11.505 8.560 1.00 0.00 N ATOM 1192 CA GLN A 77 11.209 -12.860 8.607 1.00 0.00 C ATOM 1193 C GLN A 77 9.963 -12.690 9.512 1.00 0.00 C ATOM 1194 O GLN A 77 8.917 -13.181 9.177 1.00 0.00 O ATOM 1195 CB GLN A 77 12.100 -13.906 9.242 1.00 0.00 C ATOM 1196 CG GLN A 77 12.615 -14.838 8.126 1.00 0.00 C ATOM 1197 CD GLN A 77 12.522 -16.297 8.576 1.00 0.00 C ATOM 1198 OE1 GLN A 77 12.680 -16.560 9.746 1.00 0.00 O ATOM 1199 NE2 GLN A 77 12.280 -17.268 7.757 1.00 0.00 N ATOM 0 H GLN A 77 11.216 -10.742 8.775 1.00 0.00 H new ATOM 0 HA GLN A 77 10.984 -13.194 7.594 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.935 -13.432 9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.546 -14.476 9.988 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.029 -14.691 7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.648 -14.590 7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.142 -17.076 6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.227 -18.226 8.103 1.00 0.00 H new ATOM 1208 N ASN A 78 10.183 -11.999 10.582 1.00 0.00 N ATOM 1209 CA ASN A 78 9.112 -11.686 11.598 1.00 0.00 C ATOM 1210 C ASN A 78 8.708 -10.222 11.297 1.00 0.00 C ATOM 1211 O ASN A 78 7.564 -9.847 11.277 1.00 0.00 O ATOM 1212 CB ASN A 78 9.601 -11.862 13.021 1.00 0.00 C ATOM 1213 CG ASN A 78 8.703 -12.881 13.734 1.00 0.00 C ATOM 1214 OD1 ASN A 78 8.395 -12.693 14.907 1.00 0.00 O ATOM 1215 ND2 ASN A 78 8.247 -13.945 13.156 1.00 0.00 N ATOM 0 H ASN A 78 11.097 -11.614 10.819 1.00 0.00 H new ATOM 0 HA ASN A 78 8.266 -12.368 11.519 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.636 -12.205 13.024 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.580 -10.908 13.547 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.654 -14.593 13.675 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.481 -14.136 12.182 1.00 0.00 H new ATOM 1222 N ASN A 79 9.747 -9.449 11.057 1.00 0.00 N ATOM 1223 CA ASN A 79 9.581 -7.991 10.704 1.00 0.00 C ATOM 1224 C ASN A 79 9.139 -7.994 9.220 1.00 0.00 C ATOM 1225 O ASN A 79 9.954 -8.137 8.326 1.00 0.00 O ATOM 1226 CB ASN A 79 10.912 -7.295 10.875 1.00 0.00 C ATOM 1227 CG ASN A 79 11.599 -7.670 12.197 1.00 0.00 C ATOM 1228 OD1 ASN A 79 12.756 -7.388 12.396 1.00 0.00 O ATOM 1229 ND2 ASN A 79 10.959 -8.301 13.137 1.00 0.00 N ATOM 0 H ASN A 79 10.715 -9.768 11.091 1.00 0.00 H new ATOM 0 HA ASN A 79 8.858 -7.470 11.331 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.565 -7.555 10.042 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.763 -6.216 10.839 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.436 -8.541 14.006 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.980 -8.556 13.005 1.00 0.00 H new ATOM 1236 N ALA A 80 7.869 -7.848 9.039 1.00 0.00 N ATOM 1237 CA ALA A 80 7.278 -7.846 7.676 1.00 0.00 C ATOM 1238 C ALA A 80 6.419 -6.566 7.568 1.00 0.00 C ATOM 1239 O ALA A 80 5.704 -6.187 8.486 1.00 0.00 O ATOM 1240 CB ALA A 80 6.424 -9.104 7.558 1.00 0.00 C ATOM 0 H ALA A 80 7.194 -7.727 9.794 1.00 0.00 H new ATOM 0 HA ALA A 80 8.021 -7.848 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.969 -9.143 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.050 -9.984 7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.642 -9.085 8.317 1.00 0.00 H new ATOM 1246 N MET A 81 6.530 -5.942 6.434 1.00 0.00 N ATOM 1247 CA MET A 81 5.768 -4.679 6.180 1.00 0.00 C ATOM 1248 C MET A 81 4.280 -4.832 6.416 1.00 0.00 C ATOM 1249 O MET A 81 3.710 -5.879 6.225 1.00 0.00 O ATOM 1250 CB MET A 81 6.040 -4.306 4.706 1.00 0.00 C ATOM 1251 CG MET A 81 4.864 -3.618 4.055 1.00 0.00 C ATOM 1252 SD MET A 81 4.767 -1.877 4.596 1.00 0.00 S ATOM 1253 CE MET A 81 5.182 -1.082 3.028 1.00 0.00 C ATOM 0 H MET A 81 7.120 -6.250 5.661 1.00 0.00 H new ATOM 0 HA MET A 81 6.096 -3.904 6.873 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.912 -3.654 4.655 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.284 -5.209 4.146 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.962 -3.664 2.970 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.941 -4.138 4.313 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.957 -0.334 3.193 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.545 -1.832 2.325 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.294 -0.600 2.618 1.00 0.00 H new ATOM 1263 N LYS A 82 3.557 -3.795 6.806 1.00 0.00 N ATOM 1264 CA LYS A 82 2.095 -3.852 6.989 1.00 0.00 C ATOM 1265 C LYS A 82 1.497 -2.641 6.210 1.00 0.00 C ATOM 1266 O LYS A 82 1.835 -1.539 6.567 1.00 0.00 O ATOM 1267 CB LYS A 82 1.745 -3.898 8.470 1.00 0.00 C ATOM 1268 CG LYS A 82 2.404 -5.156 9.095 1.00 0.00 C ATOM 1269 CD LYS A 82 1.740 -6.432 8.634 1.00 0.00 C ATOM 1270 CE LYS A 82 0.217 -6.346 8.794 1.00 0.00 C ATOM 1271 NZ LYS A 82 -0.237 -7.627 9.397 1.00 0.00 N ATOM 0 H LYS A 82 3.959 -2.880 7.009 1.00 0.00 H new ATOM 0 HA LYS A 82 1.656 -4.764 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.099 -2.997 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.664 -3.932 8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.461 -5.181 8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.350 -5.091 10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.990 -6.620 7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.123 -7.274 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.056 -5.504 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.262 -6.185 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.269 -7.606 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.020 -8.416 8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.220 -7.757 10.322 1.00 0.00 H new ATOM 1285 N ILE A 83 0.746 -3.027 5.211 1.00 0.00 N ATOM 1286 CA ILE A 83 0.099 -2.172 4.188 1.00 0.00 C ATOM 1287 C ILE A 83 -1.414 -2.470 4.310 1.00 0.00 C ATOM 1288 O ILE A 83 -1.877 -3.580 4.239 1.00 0.00 O ATOM 1289 CB ILE A 83 0.583 -2.712 2.810 1.00 0.00 C ATOM 1290 CG1 ILE A 83 2.046 -2.247 2.638 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -0.268 -2.134 1.703 1.00 0.00 C ATOM 1292 CD1 ILE A 83 2.578 -2.566 1.240 1.00 0.00 C ATOM 0 H ILE A 83 0.542 -4.015 5.060 1.00 0.00 H new ATOM 0 HA ILE A 83 0.318 -1.110 4.298 1.00 0.00 H new ATOM 0 HB ILE A 83 0.506 -3.798 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.110 -1.174 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.673 -2.732 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.076 -2.516 0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.308 -2.421 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.187 -1.047 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.610 -2.224 1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.538 -3.642 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.966 -2.059 0.494 1.00 0.00 H new ATOM 1304 N SER A 84 -2.089 -1.408 4.544 1.00 0.00 N ATOM 1305 CA SER A 84 -3.571 -1.363 4.825 1.00 0.00 C ATOM 1306 C SER A 84 -4.267 -0.540 3.739 1.00 0.00 C ATOM 1307 O SER A 84 -4.238 0.670 3.723 1.00 0.00 O ATOM 1308 CB SER A 84 -3.867 -0.771 6.193 1.00 0.00 C ATOM 1309 OG SER A 84 -5.220 -1.092 6.518 1.00 0.00 O ATOM 0 H SER A 84 -1.658 -0.484 4.558 1.00 0.00 H new ATOM 0 HA SER A 84 -3.950 -2.385 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.187 -1.177 6.941 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.721 0.309 6.183 1.00 0.00 H new ATOM 0 HG SER A 84 -5.441 -0.724 7.399 1.00 0.00 H new ATOM 1315 N PHE A 85 -4.883 -1.224 2.842 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.663 -0.569 1.742 1.00 0.00 C ATOM 1317 C PHE A 85 -6.588 0.500 2.351 1.00 0.00 C ATOM 1318 O PHE A 85 -6.872 0.535 3.539 1.00 0.00 O ATOM 1319 CB PHE A 85 -6.625 -1.606 1.151 1.00 0.00 C ATOM 1320 CG PHE A 85 -5.971 -2.598 0.252 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -5.762 -2.327 -1.096 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -5.570 -3.818 0.791 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -5.148 -3.277 -1.899 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -4.954 -4.786 0.000 1.00 0.00 C ATOM 1325 CZ PHE A 85 -4.747 -4.498 -1.352 1.00 0.00 C ATOM 0 H PHE A 85 -4.888 -2.243 2.810 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.967 -0.157 1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.115 -2.138 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.406 -1.087 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.076 -1.382 -1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.739 -4.017 1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.980 -3.073 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.645 -5.732 0.420 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.269 -5.232 -1.984 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.083 1.390 1.550 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.979 2.462 2.045 1.00 0.00 C ATOM 1337 C ALA A 86 -9.382 1.908 2.268 1.00 0.00 C ATOM 1338 O ALA A 86 -9.659 0.757 2.028 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.121 3.540 0.949 1.00 0.00 C ATOM 0 H ALA A 86 -6.900 1.421 0.547 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.560 2.861 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.779 4.334 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.140 3.956 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.545 3.092 0.050 1.00 0.00 H new