USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=7 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 144:sc= 0.0751 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.673 X(o=-0.6,f=-0.31) USER MOD Set 2.1: A 59 ASN : amide:sc= -1.77 K(o=-5.1,f=-19!) USER MOD Set 2.2: A 62 GLN : amide:sc= -3.3 K(o=-5.1,f=-14!) USER MOD Set 3.1: A 32 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 3.2: A 36 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.2!) USER MOD Single : A 13 ASN : amide:sc= -0.969 K(o=-0.97,f=-1.6!) USER MOD Single : A 14 HIS : no HD1:sc= -0.462 K(o=-0.46,f=-1.6) USER MOD Single : A 19 THR OG1 : rot -160:sc= -3.59! USER MOD Single : A 20 ASN : amide:sc= -8.82! C(o=-8.8!,f=-6!) USER MOD Single : A 25 THR OG1 : rot 48:sc= -1.17 USER MOD Single : A 26 ASN : amide:sc= -5.7! C(o=-5.7!,f=-22!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 30:sc= 0.787 USER MOD Single : A 35 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.34) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -6.78! C(o=-6.8!,f=-7.1!) USER MOD Single : A 71 GLN : amide:sc= -0.206 K(o=-0.21,f=-5.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.27) USER MOD Single : A 81 MET CE :methyl 156:sc= -0.917 (180deg=-3.56!) 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 -9.983 -4.483 -2.648 1.00 0.00 N ATOM 173 CA ASN A 13 -9.244 -3.241 -2.371 1.00 0.00 C ATOM 174 C ASN A 13 -8.069 -2.970 -3.322 1.00 0.00 C ATOM 175 O ASN A 13 -7.406 -3.859 -3.818 1.00 0.00 O ATOM 176 CB ASN A 13 -8.652 -3.273 -0.943 1.00 0.00 C ATOM 177 CG ASN A 13 -9.511 -4.149 -0.030 1.00 0.00 C ATOM 178 OD1 ASN A 13 -9.538 -5.361 -0.144 1.00 0.00 O ATOM 179 ND2 ASN A 13 -10.223 -3.577 0.888 1.00 0.00 N ATOM 0 HA ASN A 13 -9.984 -2.452 -2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.633 -3.658 -0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.599 -2.261 -0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.802 -4.141 1.510 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.205 -2.562 0.989 1.00 0.00 H new ATOM 186 N HIS A 14 -7.851 -1.705 -3.530 1.00 0.00 N ATOM 187 CA HIS A 14 -6.771 -1.156 -4.385 1.00 0.00 C ATOM 188 C HIS A 14 -6.060 -0.037 -3.553 1.00 0.00 C ATOM 189 O HIS A 14 -5.392 0.807 -4.087 1.00 0.00 O ATOM 190 CB HIS A 14 -7.425 -0.422 -5.566 1.00 0.00 C ATOM 191 CG HIS A 14 -8.925 -0.544 -5.446 1.00 0.00 C ATOM 192 ND1 HIS A 14 -9.695 -1.552 -5.981 1.00 0.00 N ATOM 193 CD2 HIS A 14 -9.781 0.325 -4.786 1.00 0.00 C ATOM 194 CE1 HIS A 14 -10.961 -1.266 -5.634 1.00 0.00 C ATOM 195 NE2 HIS A 14 -11.083 -0.151 -4.912 1.00 0.00 N ATOM 0 H HIS A 14 -8.427 -0.978 -3.106 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.097 -1.948 -4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.131 0.628 -5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.086 -0.849 -6.510 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.486 1.222 -4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.803 -1.882 -5.914 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.938 0.260 -4.537 1.00 0.00 H new ATOM 204 N ILE A 15 -6.251 -0.092 -2.245 1.00 0.00 N ATOM 205 CA ILE A 15 -5.702 0.864 -1.248 1.00 0.00 C ATOM 206 C ILE A 15 -5.139 -0.034 -0.118 1.00 0.00 C ATOM 207 O ILE A 15 -5.858 -0.711 0.565 1.00 0.00 O ATOM 208 CB ILE A 15 -6.694 1.882 -0.673 1.00 0.00 C ATOM 209 CG1 ILE A 15 -6.485 3.204 -1.445 1.00 0.00 C ATOM 210 CG2 ILE A 15 -6.314 2.083 0.784 1.00 0.00 C ATOM 211 CD1 ILE A 15 -7.007 4.408 -0.694 1.00 0.00 C ATOM 0 H ILE A 15 -6.812 -0.826 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.963 1.497 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.731 1.557 -0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.422 3.339 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.985 3.139 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.993 2.802 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.383 1.132 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.293 2.459 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.833 5.308 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.076 4.291 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.488 4.494 0.261 1.00 0.00 H new ATOM 223 N LEU A 16 -3.834 -0.009 0.021 1.00 0.00 N ATOM 224 CA LEU A 16 -3.140 -0.844 1.041 1.00 0.00 C ATOM 225 C LEU A 16 -2.255 0.066 1.939 1.00 0.00 C ATOM 226 O LEU A 16 -1.285 0.671 1.541 1.00 0.00 O ATOM 227 CB LEU A 16 -2.312 -1.882 0.326 1.00 0.00 C ATOM 228 CG LEU A 16 -3.035 -2.304 -0.973 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.613 -1.419 -2.125 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.590 -3.746 -1.269 1.00 0.00 C ATOM 0 H LEU A 16 -3.212 0.569 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.861 -1.350 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.326 -1.480 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.159 -2.749 0.969 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.115 -2.221 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.132 -1.730 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.866 -0.383 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.537 -1.505 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.073 -4.096 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.508 -3.774 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.873 -4.392 -0.438 1.00 0.00 H new ATOM 242 N PHE A 17 -2.725 0.121 3.192 1.00 0.00 N ATOM 243 CA PHE A 17 -2.217 0.948 4.270 1.00 0.00 C ATOM 244 C PHE A 17 -1.770 -0.030 5.379 1.00 0.00 C ATOM 245 O PHE A 17 -2.481 -0.953 5.615 1.00 0.00 O ATOM 246 CB PHE A 17 -3.175 1.972 4.840 1.00 0.00 C ATOM 247 CG PHE A 17 -2.624 2.479 6.158 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.285 2.887 6.267 1.00 0.00 C ATOM 249 CD2 PHE A 17 -3.454 2.542 7.283 1.00 0.00 C ATOM 250 CE1 PHE A 17 -0.813 3.344 7.501 1.00 0.00 C ATOM 251 CE2 PHE A 17 -2.957 3.008 8.514 1.00 0.00 C ATOM 252 CZ PHE A 17 -1.633 3.407 8.618 1.00 0.00 C ATOM 0 H PHE A 17 -3.518 -0.449 3.488 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.412 1.559 3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.302 2.799 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.158 1.526 4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.629 2.848 5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.485 2.230 7.206 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.217 3.656 7.587 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.605 3.055 9.376 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.244 3.764 9.560 1.00 0.00 H new ATOM 262 N LEU A 18 -0.603 0.211 5.826 1.00 0.00 N ATOM 263 CA LEU A 18 -0.021 -0.612 6.852 1.00 0.00 C ATOM 264 C LEU A 18 1.405 -0.130 6.974 1.00 0.00 C ATOM 265 O LEU A 18 1.786 0.821 6.344 1.00 0.00 O ATOM 266 CB LEU A 18 -0.258 -2.095 6.886 1.00 0.00 C ATOM 267 CG LEU A 18 -0.263 -2.553 8.370 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.718 -2.672 8.872 1.00 0.00 C ATOM 269 CD2 LEU A 18 0.347 -3.933 8.539 1.00 0.00 C ATOM 0 H LEU A 18 -0.011 0.977 5.505 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.594 -0.468 7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.208 -2.339 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.521 -2.617 6.330 1.00 0.00 H new ATOM 0 HG LEU A 18 0.313 -1.813 8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.718 -2.994 9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.211 -1.703 8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.253 -3.403 8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.324 -4.215 9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.223 -4.657 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.379 -3.920 8.190 1.00 0.00 H new ATOM 281 N THR A 19 2.037 -0.753 7.815 1.00 0.00 N ATOM 282 CA THR A 19 3.434 -0.455 8.263 1.00 0.00 C ATOM 283 C THR A 19 4.480 -1.311 7.602 1.00 0.00 C ATOM 284 O THR A 19 4.637 -2.503 7.722 1.00 0.00 O ATOM 285 CB THR A 19 3.462 -0.513 9.803 1.00 0.00 C ATOM 286 OG1 THR A 19 4.004 -1.703 10.301 1.00 0.00 O ATOM 287 CG2 THR A 19 2.020 -0.378 10.346 1.00 0.00 C ATOM 0 H THR A 19 1.639 -1.560 8.296 1.00 0.00 H new ATOM 0 HA THR A 19 3.708 0.549 7.938 1.00 0.00 H new ATOM 0 HB THR A 19 4.099 0.308 10.133 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.717 -1.830 11.229 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.036 -0.419 11.435 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.598 0.574 10.025 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.409 -1.194 9.961 1.00 0.00 H new ATOM 295 N ASN A 20 5.215 -0.647 6.798 1.00 0.00 N ATOM 296 CA ASN A 20 6.380 -1.321 6.120 1.00 0.00 C ATOM 297 C ASN A 20 7.470 -1.299 7.219 1.00 0.00 C ATOM 298 O ASN A 20 8.148 -2.277 7.336 1.00 0.00 O ATOM 299 CB ASN A 20 6.876 -0.572 4.900 1.00 0.00 C ATOM 300 CG ASN A 20 8.094 -1.272 4.253 1.00 0.00 C ATOM 301 OD1 ASN A 20 8.553 -0.809 3.230 1.00 0.00 O ATOM 302 ND2 ASN A 20 8.638 -2.328 4.752 1.00 0.00 N ATOM 0 H ASN A 20 5.082 0.336 6.562 1.00 0.00 H new ATOM 0 HA ASN A 20 6.112 -2.312 5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.071 -0.494 4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.149 0.444 5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.438 -2.758 4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.269 -2.734 5.611 1.00 0.00 H new ATOM 309 N LEU A 21 7.513 -0.211 7.907 1.00 0.00 N ATOM 310 CA LEU A 21 8.381 0.023 9.073 1.00 0.00 C ATOM 311 C LEU A 21 9.696 0.746 8.763 1.00 0.00 C ATOM 312 O LEU A 21 9.729 1.969 8.860 1.00 0.00 O ATOM 313 CB LEU A 21 8.591 -1.229 9.926 1.00 0.00 C ATOM 314 CG LEU A 21 7.371 -1.558 10.805 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.426 -0.397 10.990 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.587 -2.631 10.017 1.00 0.00 C ATOM 0 H LEU A 21 6.928 0.594 7.684 1.00 0.00 H new ATOM 0 HA LEU A 21 7.815 0.728 9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.804 -2.077 9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.465 -1.088 10.562 1.00 0.00 H new ATOM 0 HG LEU A 21 7.723 -1.856 11.793 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.591 -0.704 11.620 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.954 0.430 11.465 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.049 -0.077 10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.699 -2.919 10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.288 -2.226 9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.220 -3.505 9.865 1.00 0.00 H new ATOM 328 N PRO A 22 10.751 0.088 8.473 1.00 0.00 N ATOM 329 CA PRO A 22 12.047 0.773 8.253 1.00 0.00 C ATOM 330 C PRO A 22 12.616 0.578 6.865 1.00 0.00 C ATOM 331 O PRO A 22 11.851 0.349 5.946 1.00 0.00 O ATOM 332 CB PRO A 22 12.844 0.047 9.360 1.00 0.00 C ATOM 333 CG PRO A 22 12.465 -1.414 9.091 1.00 0.00 C ATOM 334 CD PRO A 22 11.134 -1.271 8.289 1.00 0.00 C ATOM 0 HA PRO A 22 12.029 1.862 8.307 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.917 0.216 9.273 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.550 0.371 10.358 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.232 -1.934 8.517 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.324 -1.974 10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.279 -1.503 7.234 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.370 -1.953 8.663 1.00 0.00 H new ATOM 342 N GLU A 23 13.903 0.685 6.764 1.00 0.00 N ATOM 343 CA GLU A 23 14.676 0.539 5.508 1.00 0.00 C ATOM 344 C GLU A 23 14.889 1.938 4.884 1.00 0.00 C ATOM 345 O GLU A 23 15.297 2.072 3.742 1.00 0.00 O ATOM 346 CB GLU A 23 14.016 -0.378 4.495 1.00 0.00 C ATOM 347 CG GLU A 23 15.028 -1.092 3.595 1.00 0.00 C ATOM 348 CD GLU A 23 14.403 -2.404 3.094 1.00 0.00 C ATOM 349 OE1 GLU A 23 13.306 -2.298 2.596 1.00 0.00 O ATOM 350 OE2 GLU A 23 15.072 -3.405 3.251 1.00 0.00 O ATOM 0 H GLU A 23 14.495 0.884 7.570 1.00 0.00 H new ATOM 0 HA GLU A 23 15.628 0.075 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.416 -1.121 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.333 0.203 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.298 -0.456 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.945 -1.297 4.147 1.00 0.00 H new ATOM 357 N GLU A 24 14.591 2.913 5.682 1.00 0.00 N ATOM 358 CA GLU A 24 14.747 4.316 5.165 1.00 0.00 C ATOM 359 C GLU A 24 13.807 4.401 3.940 1.00 0.00 C ATOM 360 O GLU A 24 14.066 5.213 3.097 1.00 0.00 O ATOM 361 CB GLU A 24 16.154 4.599 4.683 1.00 0.00 C ATOM 362 CG GLU A 24 16.495 6.062 4.981 1.00 0.00 C ATOM 363 CD GLU A 24 16.417 6.929 3.713 1.00 0.00 C ATOM 364 OE1 GLU A 24 17.245 6.780 2.834 1.00 0.00 O ATOM 365 OE2 GLU A 24 15.501 7.726 3.698 1.00 0.00 O ATOM 0 H GLU A 24 14.256 2.820 6.641 1.00 0.00 H new ATOM 0 HA GLU A 24 14.522 5.030 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.863 3.938 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.233 4.404 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.807 6.451 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.498 6.124 5.404 1.00 0.00 H new ATOM 372 N THR A 25 12.829 3.565 3.950 1.00 0.00 N ATOM 373 CA THR A 25 11.805 3.455 2.867 1.00 0.00 C ATOM 374 C THR A 25 11.439 4.885 2.454 1.00 0.00 C ATOM 375 O THR A 25 10.595 5.566 2.975 1.00 0.00 O ATOM 376 CB THR A 25 10.593 2.639 3.286 1.00 0.00 C ATOM 377 OG1 THR A 25 9.510 2.876 2.372 1.00 0.00 O ATOM 378 CG2 THR A 25 10.105 2.962 4.696 1.00 0.00 C ATOM 0 H THR A 25 12.679 2.904 4.712 1.00 0.00 H new ATOM 0 HA THR A 25 12.213 2.909 2.017 1.00 0.00 H new ATOM 0 HB THR A 25 10.908 1.596 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.836 2.799 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.238 2.345 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.901 2.758 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.827 4.014 4.753 1.00 0.00 H new ATOM 386 N ASN A 26 12.161 5.331 1.447 1.00 0.00 N ATOM 387 CA ASN A 26 11.948 6.729 0.932 1.00 0.00 C ATOM 388 C ASN A 26 10.612 6.788 0.209 1.00 0.00 C ATOM 389 O ASN A 26 10.190 5.860 -0.472 1.00 0.00 O ATOM 390 CB ASN A 26 13.162 7.050 0.075 1.00 0.00 C ATOM 391 CG ASN A 26 12.860 7.865 -1.161 1.00 0.00 C ATOM 392 OD1 ASN A 26 11.862 8.488 -1.393 1.00 0.00 O ATOM 393 ND2 ASN A 26 13.797 7.893 -2.091 1.00 0.00 N ATOM 0 H ASN A 26 12.881 4.794 0.964 1.00 0.00 H new ATOM 0 HA ASN A 26 11.880 7.488 1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.887 7.591 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.634 6.115 -0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.649 8.425 -2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.669 7.383 -1.952 1.00 0.00 H new ATOM 400 N GLU A 27 9.893 7.891 0.325 1.00 0.00 N ATOM 401 CA GLU A 27 8.584 8.054 -0.341 1.00 0.00 C ATOM 402 C GLU A 27 8.632 7.976 -1.890 1.00 0.00 C ATOM 403 O GLU A 27 7.784 7.354 -2.459 1.00 0.00 O ATOM 404 CB GLU A 27 7.911 9.392 -0.035 1.00 0.00 C ATOM 405 CG GLU A 27 8.779 10.335 0.765 1.00 0.00 C ATOM 406 CD GLU A 27 8.179 11.750 0.620 1.00 0.00 C ATOM 407 OE1 GLU A 27 7.263 12.063 1.372 1.00 0.00 O ATOM 408 OE2 GLU A 27 8.640 12.484 -0.226 1.00 0.00 O ATOM 0 H GLU A 27 10.184 8.699 0.875 1.00 0.00 H new ATOM 0 HA GLU A 27 8.023 7.213 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.634 9.873 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.987 9.208 0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.807 10.035 1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.806 10.314 0.400 1.00 0.00 H new ATOM 415 N LEU A 28 9.615 8.606 -2.451 1.00 0.00 N ATOM 416 CA LEU A 28 9.840 8.653 -3.945 1.00 0.00 C ATOM 417 C LEU A 28 10.409 7.283 -4.358 1.00 0.00 C ATOM 418 O LEU A 28 10.315 6.819 -5.462 1.00 0.00 O ATOM 419 CB LEU A 28 10.834 9.763 -4.263 1.00 0.00 C ATOM 420 CG LEU A 28 11.788 9.395 -5.401 1.00 0.00 C ATOM 421 CD1 LEU A 28 10.969 9.238 -6.665 1.00 0.00 C ATOM 422 CD2 LEU A 28 12.795 10.547 -5.539 1.00 0.00 C ATOM 0 H LEU A 28 10.316 9.122 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 28 8.916 8.856 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.288 10.668 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.414 9.993 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 28 12.322 8.464 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.626 8.975 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.230 8.450 -6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.461 10.176 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.496 10.323 -6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.263 11.470 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.342 10.666 -4.604 1.00 0.00 H new ATOM 434 N MET A 29 11.014 6.618 -3.391 1.00 0.00 N ATOM 435 CA MET A 29 11.599 5.247 -3.651 1.00 0.00 C ATOM 436 C MET A 29 10.453 4.284 -3.875 1.00 0.00 C ATOM 437 O MET A 29 10.247 3.619 -4.895 1.00 0.00 O ATOM 438 CB MET A 29 12.409 4.866 -2.403 1.00 0.00 C ATOM 439 CG MET A 29 13.346 3.699 -2.669 1.00 0.00 C ATOM 440 SD MET A 29 12.607 2.155 -2.037 1.00 0.00 S ATOM 441 CE MET A 29 13.728 1.070 -2.946 1.00 0.00 C ATOM 0 H MET A 29 11.129 6.961 -2.437 1.00 0.00 H new ATOM 0 HA MET A 29 12.245 5.224 -4.528 1.00 0.00 H new ATOM 0 HB2 MET A 29 12.988 5.727 -2.069 1.00 0.00 H new ATOM 0 HB3 MET A 29 11.727 4.607 -1.593 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.536 3.610 -3.739 1.00 0.00 H new ATOM 0 HG3 MET A 29 14.308 3.876 -2.188 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.483 0.030 -2.729 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.623 1.252 -4.016 1.00 0.00 H new ATOM 0 HE3 MET A 29 14.755 1.272 -2.643 1.00 0.00 H new ATOM 451 N LEU A 30 9.616 4.214 -2.862 1.00 0.00 N ATOM 452 CA LEU A 30 8.414 3.326 -2.941 1.00 0.00 C ATOM 453 C LEU A 30 7.472 3.996 -3.946 1.00 0.00 C ATOM 454 O LEU A 30 6.659 3.359 -4.543 1.00 0.00 O ATOM 455 CB LEU A 30 7.798 3.115 -1.571 1.00 0.00 C ATOM 456 CG LEU A 30 8.363 1.805 -0.965 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.681 1.475 0.348 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.147 0.636 -1.934 1.00 0.00 C ATOM 0 H LEU A 30 9.715 4.732 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 30 8.660 2.319 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.025 3.960 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.712 3.057 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 30 9.428 1.955 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.096 0.551 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.845 2.287 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.611 1.349 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.548 -0.278 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.081 0.511 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.659 0.843 -2.874 1.00 0.00 H new ATOM 470 N SER A 31 7.571 5.282 -4.171 1.00 0.00 N ATOM 471 CA SER A 31 6.674 5.932 -5.182 1.00 0.00 C ATOM 472 C SER A 31 7.174 5.502 -6.578 1.00 0.00 C ATOM 473 O SER A 31 6.397 5.365 -7.483 1.00 0.00 O ATOM 474 CB SER A 31 6.741 7.444 -5.143 1.00 0.00 C ATOM 475 OG SER A 31 5.823 7.986 -6.104 1.00 0.00 O ATOM 0 H SER A 31 8.227 5.908 -3.704 1.00 0.00 H new ATOM 0 HA SER A 31 5.650 5.628 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.494 7.804 -4.144 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.755 7.780 -5.362 1.00 0.00 H new ATOM 0 HG SER A 31 5.064 7.375 -6.212 1.00 0.00 H new ATOM 481 N MET A 32 8.430 5.285 -6.761 1.00 0.00 N ATOM 482 CA MET A 32 8.880 4.845 -8.119 1.00 0.00 C ATOM 483 C MET A 32 8.600 3.356 -8.228 1.00 0.00 C ATOM 484 O MET A 32 8.284 2.770 -9.257 1.00 0.00 O ATOM 485 CB MET A 32 10.370 5.192 -8.185 1.00 0.00 C ATOM 486 CG MET A 32 11.097 3.897 -8.597 1.00 0.00 C ATOM 487 SD MET A 32 12.778 4.332 -9.147 1.00 0.00 S ATOM 488 CE MET A 32 13.193 2.732 -9.863 1.00 0.00 C ATOM 0 H MET A 32 9.161 5.386 -6.057 1.00 0.00 H new ATOM 0 HA MET A 32 8.368 5.328 -8.951 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.553 5.987 -8.908 1.00 0.00 H new ATOM 0 HB3 MET A 32 10.729 5.550 -7.220 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.140 3.203 -7.758 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.554 3.395 -9.398 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.210 2.761 -10.255 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.122 1.961 -9.096 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.499 2.504 -10.672 1.00 0.00 H new ATOM 498 N LEU A 33 8.704 2.619 -7.134 1.00 0.00 N ATOM 499 CA LEU A 33 8.471 1.134 -7.152 1.00 0.00 C ATOM 500 C LEU A 33 6.963 0.935 -7.338 1.00 0.00 C ATOM 501 O LEU A 33 6.430 0.031 -7.919 1.00 0.00 O ATOM 502 CB LEU A 33 8.821 0.569 -5.754 1.00 0.00 C ATOM 503 CG LEU A 33 10.234 0.016 -5.686 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.662 -0.341 -4.246 1.00 0.00 C ATOM 505 CD2 LEU A 33 10.345 -1.261 -6.506 1.00 0.00 C ATOM 0 H LEU A 33 8.945 2.995 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 33 9.062 0.651 -7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.706 1.356 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.113 -0.219 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 33 10.880 0.803 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.680 -0.732 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.622 0.552 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.987 -1.096 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.364 -1.644 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.653 -2.007 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.097 -1.048 -7.546 1.00 0.00 H new ATOM 517 N PHE A 34 6.268 1.897 -6.779 1.00 0.00 N ATOM 518 CA PHE A 34 4.760 1.868 -6.892 1.00 0.00 C ATOM 519 C PHE A 34 4.424 2.414 -8.287 1.00 0.00 C ATOM 520 O PHE A 34 3.450 2.098 -8.918 1.00 0.00 O ATOM 521 CB PHE A 34 4.096 2.634 -5.773 1.00 0.00 C ATOM 522 CG PHE A 34 4.174 1.805 -4.498 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.988 0.422 -4.498 1.00 0.00 C ATOM 524 CD2 PHE A 34 4.442 2.412 -3.260 1.00 0.00 C ATOM 525 CE1 PHE A 34 4.076 -0.293 -3.281 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.535 1.726 -2.060 1.00 0.00 C ATOM 527 CZ PHE A 34 4.348 0.343 -2.067 1.00 0.00 C ATOM 0 H PHE A 34 6.659 2.684 -6.261 1.00 0.00 H new ATOM 0 HA PHE A 34 4.371 0.855 -6.785 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.589 3.595 -5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.056 2.844 -6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.778 -0.099 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.585 3.482 -3.242 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.929 -1.363 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.747 2.250 -1.140 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.412 -0.225 -1.151 1.00 0.00 H new ATOM 537 N ASN A 35 5.307 3.266 -8.744 1.00 0.00 N ATOM 538 CA ASN A 35 5.202 3.911 -10.074 1.00 0.00 C ATOM 539 C ASN A 35 5.282 2.809 -11.154 1.00 0.00 C ATOM 540 O ASN A 35 4.549 2.900 -12.101 1.00 0.00 O ATOM 541 CB ASN A 35 6.285 4.949 -10.331 1.00 0.00 C ATOM 542 CG ASN A 35 6.268 5.434 -11.800 1.00 0.00 C ATOM 543 OD1 ASN A 35 6.831 4.842 -12.690 1.00 0.00 O ATOM 544 ND2 ASN A 35 5.622 6.523 -12.070 1.00 0.00 N ATOM 0 H ASN A 35 6.133 3.548 -8.217 1.00 0.00 H new ATOM 0 HA ASN A 35 4.251 4.443 -10.108 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.141 5.799 -9.664 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.261 4.523 -10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.592 6.874 -13.027 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.143 7.030 -11.325 1.00 0.00 H new ATOM 551 N GLN A 36 6.137 1.858 -10.921 1.00 0.00 N ATOM 552 CA GLN A 36 6.257 0.721 -11.864 1.00 0.00 C ATOM 553 C GLN A 36 4.853 0.266 -12.346 1.00 0.00 C ATOM 554 O GLN A 36 4.638 -0.181 -13.439 1.00 0.00 O ATOM 555 CB GLN A 36 6.863 -0.523 -11.179 1.00 0.00 C ATOM 556 CG GLN A 36 8.331 -0.695 -11.500 1.00 0.00 C ATOM 557 CD GLN A 36 9.149 0.579 -11.243 1.00 0.00 C ATOM 558 OE1 GLN A 36 8.868 1.643 -11.736 1.00 0.00 O ATOM 559 NE2 GLN A 36 10.183 0.473 -10.452 1.00 0.00 N ATOM 0 H GLN A 36 6.760 1.820 -10.114 1.00 0.00 H new ATOM 0 HA GLN A 36 6.887 1.073 -12.681 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.736 -0.439 -10.100 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.317 -1.412 -11.496 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.737 -1.509 -10.899 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.438 -0.986 -12.545 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.417 -0.429 -10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.756 1.292 -10.249 1.00 0.00 H new ATOM 568 N PHE A 37 3.933 0.425 -11.419 1.00 0.00 N ATOM 569 CA PHE A 37 2.464 0.077 -11.575 1.00 0.00 C ATOM 570 C PHE A 37 1.593 1.174 -12.175 1.00 0.00 C ATOM 571 O PHE A 37 1.624 2.290 -11.714 1.00 0.00 O ATOM 572 CB PHE A 37 1.981 -0.419 -10.175 1.00 0.00 C ATOM 573 CG PHE A 37 2.936 -1.580 -9.874 1.00 0.00 C ATOM 574 CD1 PHE A 37 2.705 -2.882 -10.295 1.00 0.00 C ATOM 575 CD2 PHE A 37 4.125 -1.328 -9.156 1.00 0.00 C ATOM 576 CE1 PHE A 37 3.623 -3.911 -10.016 1.00 0.00 C ATOM 577 CE2 PHE A 37 5.031 -2.349 -8.881 1.00 0.00 C ATOM 578 CZ PHE A 37 4.813 -3.677 -9.303 1.00 0.00 C ATOM 0 H PHE A 37 4.151 0.807 -10.499 1.00 0.00 H new ATOM 0 HA PHE A 37 2.356 -0.706 -12.326 1.00 0.00 H new ATOM 0 HB2 PHE A 37 2.050 0.366 -9.422 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.942 -0.747 -10.199 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.805 -3.109 -10.847 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.336 -0.326 -8.814 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.407 -4.912 -10.360 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.929 -2.117 -8.327 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.518 -4.467 -9.091 1.00 0.00 H new ATOM 588 N PRO A 38 0.844 0.809 -13.196 1.00 0.00 N ATOM 589 CA PRO A 38 -0.063 1.767 -13.900 1.00 0.00 C ATOM 590 C PRO A 38 -1.106 2.424 -13.006 1.00 0.00 C ATOM 591 O PRO A 38 -1.739 3.389 -13.377 1.00 0.00 O ATOM 592 CB PRO A 38 -0.798 0.853 -14.900 1.00 0.00 C ATOM 593 CG PRO A 38 -0.085 -0.511 -15.043 1.00 0.00 C ATOM 594 CD PRO A 38 0.779 -0.558 -13.794 1.00 0.00 C ATOM 0 HA PRO A 38 0.509 2.594 -14.321 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.824 0.696 -14.567 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.850 1.342 -15.873 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.794 -1.338 -15.078 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.513 -0.564 -15.953 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.363 -1.264 -13.075 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.781 -0.908 -14.042 1.00 0.00 H new ATOM 602 N GLY A 39 -1.278 1.892 -11.828 1.00 0.00 N ATOM 603 CA GLY A 39 -2.283 2.476 -10.896 1.00 0.00 C ATOM 604 C GLY A 39 -1.579 3.330 -9.845 1.00 0.00 C ATOM 605 O GLY A 39 -2.239 3.716 -8.902 1.00 0.00 O ATOM 0 H GLY A 39 -0.770 1.083 -11.472 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.998 3.083 -11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.849 1.680 -10.412 1.00 0.00 H new ATOM 609 N PHE A 40 -0.308 3.595 -10.004 1.00 0.00 N ATOM 610 CA PHE A 40 0.468 4.408 -9.046 1.00 0.00 C ATOM 611 C PHE A 40 -0.292 5.691 -8.685 1.00 0.00 C ATOM 612 O PHE A 40 -0.290 6.611 -9.464 1.00 0.00 O ATOM 613 CB PHE A 40 1.756 4.871 -9.737 1.00 0.00 C ATOM 614 CG PHE A 40 2.348 5.997 -8.917 1.00 0.00 C ATOM 615 CD1 PHE A 40 2.425 5.917 -7.528 1.00 0.00 C ATOM 616 CD2 PHE A 40 2.811 7.117 -9.620 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.977 6.983 -6.819 1.00 0.00 C ATOM 618 CE2 PHE A 40 3.366 8.189 -8.921 1.00 0.00 C ATOM 619 CZ PHE A 40 3.437 8.097 -7.521 1.00 0.00 C ATOM 0 H PHE A 40 0.238 3.261 -10.798 1.00 0.00 H new ATOM 0 HA PHE A 40 0.654 3.804 -8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.463 4.045 -9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.544 5.209 -10.751 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.063 5.042 -7.008 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.739 7.150 -10.697 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.047 6.947 -5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.730 9.063 -9.440 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.864 8.920 -6.967 1.00 0.00 H new ATOM 629 N LYS A 41 -0.914 5.709 -7.526 1.00 0.00 N ATOM 630 CA LYS A 41 -1.659 6.928 -7.153 1.00 0.00 C ATOM 631 C LYS A 41 -1.208 7.613 -5.878 1.00 0.00 C ATOM 632 O LYS A 41 -0.913 8.805 -5.917 1.00 0.00 O ATOM 633 CB LYS A 41 -3.160 6.600 -6.998 1.00 0.00 C ATOM 634 CG LYS A 41 -4.023 7.696 -7.611 1.00 0.00 C ATOM 635 CD LYS A 41 -4.301 8.724 -6.508 1.00 0.00 C ATOM 636 CE LYS A 41 -4.406 10.146 -7.084 1.00 0.00 C ATOM 637 NZ LYS A 41 -5.832 10.510 -7.264 1.00 0.00 N ATOM 0 H LYS A 41 -0.932 4.948 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.458 7.622 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.380 5.647 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.404 6.487 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.511 8.163 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.955 7.282 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.228 8.468 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.504 8.688 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.921 10.856 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.884 10.201 -8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.898 11.472 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.281 9.839 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.318 10.474 -6.345 1.00 0.00 H new ATOM 651 N GLU A 42 -1.151 6.951 -4.767 1.00 0.00 N ATOM 652 CA GLU A 42 -0.749 7.619 -3.524 1.00 0.00 C ATOM 653 C GLU A 42 0.288 6.735 -2.812 1.00 0.00 C ATOM 654 O GLU A 42 0.246 5.535 -2.905 1.00 0.00 O ATOM 655 CB GLU A 42 -1.934 7.973 -2.605 1.00 0.00 C ATOM 656 CG GLU A 42 -1.721 9.325 -1.930 1.00 0.00 C ATOM 657 CD GLU A 42 -2.975 9.642 -1.098 1.00 0.00 C ATOM 658 OE1 GLU A 42 -3.113 8.998 -0.057 1.00 0.00 O ATOM 659 OE2 GLU A 42 -3.750 10.502 -1.510 1.00 0.00 O ATOM 0 H GLU A 42 -1.371 5.959 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.306 8.582 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.856 7.995 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.054 7.199 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.837 9.298 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.552 10.101 -2.676 1.00 0.00 H new ATOM 666 N VAL A 43 1.175 7.406 -2.127 1.00 0.00 N ATOM 667 CA VAL A 43 2.288 6.816 -1.386 1.00 0.00 C ATOM 668 C VAL A 43 2.540 7.704 -0.156 1.00 0.00 C ATOM 669 O VAL A 43 2.813 8.881 -0.252 1.00 0.00 O ATOM 670 CB VAL A 43 3.559 6.670 -2.223 1.00 0.00 C ATOM 671 CG1 VAL A 43 3.313 5.531 -3.217 1.00 0.00 C ATOM 672 CG2 VAL A 43 3.838 7.958 -3.012 1.00 0.00 C ATOM 0 H VAL A 43 1.152 8.423 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 43 2.020 5.801 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 43 4.412 6.470 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.198 5.392 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.104 4.611 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.461 5.779 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.747 7.834 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.000 8.166 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.966 8.789 -2.318 1.00 0.00 H new ATOM 682 N ARG A 44 2.385 7.051 0.942 1.00 0.00 N ATOM 683 CA ARG A 44 2.490 7.662 2.303 1.00 0.00 C ATOM 684 C ARG A 44 3.638 6.976 3.046 1.00 0.00 C ATOM 685 O ARG A 44 3.429 5.943 3.614 1.00 0.00 O ATOM 686 CB ARG A 44 1.226 7.395 3.136 1.00 0.00 C ATOM 687 CG ARG A 44 1.286 8.339 4.356 1.00 0.00 C ATOM 688 CD ARG A 44 0.359 9.534 4.167 1.00 0.00 C ATOM 689 NE ARG A 44 0.307 9.876 2.727 1.00 0.00 N ATOM 690 CZ ARG A 44 -0.508 10.811 2.337 1.00 0.00 C ATOM 691 NH1 ARG A 44 -0.424 11.984 2.896 1.00 0.00 N ATOM 692 NH2 ARG A 44 -1.363 10.528 1.411 1.00 0.00 N ATOM 0 H ARG A 44 2.176 6.053 0.964 1.00 0.00 H new ATOM 0 HA ARG A 44 2.638 8.735 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.328 7.582 2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.187 6.353 3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.004 7.794 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.309 8.687 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.640 9.299 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.719 10.386 4.744 1.00 0.00 H new ATOM 0 HE ARG A 44 0.899 9.388 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.271 12.154 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.053 12.733 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.386 9.592 1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.015 11.241 1.084 1.00 0.00 H new ATOM 706 N LEU A 45 4.759 7.614 2.968 1.00 0.00 N ATOM 707 CA LEU A 45 6.014 7.162 3.624 1.00 0.00 C ATOM 708 C LEU A 45 6.764 8.439 4.070 1.00 0.00 C ATOM 709 O LEU A 45 7.523 8.918 3.237 1.00 0.00 O ATOM 710 CB LEU A 45 6.821 6.388 2.579 1.00 0.00 C ATOM 711 CG LEU A 45 5.917 5.390 1.845 1.00 0.00 C ATOM 712 CD1 LEU A 45 6.690 4.915 0.612 1.00 0.00 C ATOM 713 CD2 LEU A 45 5.657 4.220 2.781 1.00 0.00 C ATOM 0 H LEU A 45 4.866 8.483 2.445 1.00 0.00 H new ATOM 0 HA LEU A 45 5.841 6.518 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.265 7.082 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.642 5.859 3.062 1.00 0.00 H new ATOM 0 HG LEU A 45 4.966 5.832 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.084 4.200 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.919 5.769 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.618 4.437 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.015 3.492 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.603 3.748 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.166 4.580 3.685 1.00 0.00 H new ATOM 725 N VAL A 46 6.529 8.919 5.250 1.00 0.00 N ATOM 726 CA VAL A 46 7.131 10.170 5.810 1.00 0.00 C ATOM 727 C VAL A 46 8.494 9.854 6.435 1.00 0.00 C ATOM 728 O VAL A 46 8.508 9.242 7.475 1.00 0.00 O ATOM 729 CB VAL A 46 6.144 10.794 6.847 1.00 0.00 C ATOM 730 CG1 VAL A 46 6.150 12.339 6.817 1.00 0.00 C ATOM 731 CG2 VAL A 46 4.707 10.363 6.579 1.00 0.00 C ATOM 0 H VAL A 46 5.894 8.461 5.904 1.00 0.00 H new ATOM 0 HA VAL A 46 7.295 10.900 5.017 1.00 0.00 H new ATOM 0 HB VAL A 46 6.490 10.436 7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.446 12.720 7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.151 12.703 7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.857 12.685 5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.047 10.816 7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.410 10.687 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.635 9.277 6.644 1.00 0.00 H new ATOM 741 N PRO A 47 9.502 10.293 5.751 1.00 0.00 N ATOM 742 CA PRO A 47 10.936 10.137 6.095 1.00 0.00 C ATOM 743 C PRO A 47 11.237 10.412 7.557 1.00 0.00 C ATOM 744 O PRO A 47 12.138 9.786 8.093 1.00 0.00 O ATOM 745 CB PRO A 47 11.736 11.043 5.147 1.00 0.00 C ATOM 746 CG PRO A 47 10.861 10.970 3.865 1.00 0.00 C ATOM 747 CD PRO A 47 9.463 11.039 4.489 1.00 0.00 C ATOM 0 HA PRO A 47 11.230 9.096 5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.827 12.060 5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.748 10.674 4.978 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.053 11.798 3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.021 10.050 3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.173 12.075 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.721 10.611 3.814 1.00 0.00 H new ATOM 755 N GLY A 48 10.545 11.298 8.241 1.00 0.00 N ATOM 756 CA GLY A 48 10.925 11.456 9.682 1.00 0.00 C ATOM 757 C GLY A 48 10.579 10.106 10.354 1.00 0.00 C ATOM 758 O GLY A 48 11.027 9.772 11.430 1.00 0.00 O ATOM 0 H GLY A 48 9.784 11.882 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.986 11.685 9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.376 12.276 10.145 1.00 0.00 H new ATOM 762 N ARG A 49 9.762 9.341 9.681 1.00 0.00 N ATOM 763 CA ARG A 49 9.288 8.020 10.114 1.00 0.00 C ATOM 764 C ARG A 49 9.723 6.873 9.175 1.00 0.00 C ATOM 765 O ARG A 49 10.491 6.038 9.559 1.00 0.00 O ATOM 766 CB ARG A 49 7.738 7.975 10.173 1.00 0.00 C ATOM 767 CG ARG A 49 7.163 9.186 10.896 1.00 0.00 C ATOM 768 CD ARG A 49 5.830 9.557 10.206 1.00 0.00 C ATOM 769 NE ARG A 49 5.747 11.035 10.120 1.00 0.00 N ATOM 770 CZ ARG A 49 4.750 11.643 10.673 1.00 0.00 C ATOM 771 NH1 ARG A 49 3.517 11.312 10.384 1.00 0.00 N ATOM 772 NH2 ARG A 49 4.991 12.588 11.522 1.00 0.00 N ATOM 0 H ARG A 49 9.383 9.618 8.775 1.00 0.00 H new ATOM 0 HA ARG A 49 9.736 7.875 11.097 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.337 7.932 9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.420 7.064 10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.998 8.960 11.949 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.861 10.023 10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.782 9.115 9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.986 9.161 10.772 1.00 0.00 H new ATOM 0 HE ARG A 49 6.468 11.565 9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.333 10.565 9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.740 11.801 10.829 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.954 12.841 11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.218 13.081 11.970 1.00 0.00 H new ATOM 786 N HIS A 50 9.158 6.867 7.994 1.00 0.00 N ATOM 787 CA HIS A 50 9.341 5.778 6.933 1.00 0.00 C ATOM 788 C HIS A 50 8.623 4.559 7.599 1.00 0.00 C ATOM 789 O HIS A 50 8.800 3.485 7.103 1.00 0.00 O ATOM 790 CB HIS A 50 10.763 5.289 6.731 1.00 0.00 C ATOM 791 CG HIS A 50 11.841 6.293 6.953 1.00 0.00 C ATOM 792 ND1 HIS A 50 12.307 7.050 5.871 1.00 0.00 N ATOM 793 CD2 HIS A 50 12.636 6.765 7.948 1.00 0.00 C ATOM 794 CE1 HIS A 50 13.297 7.890 6.242 1.00 0.00 C ATOM 795 NE2 HIS A 50 13.545 7.754 7.536 1.00 0.00 N ATOM 0 H HIS A 50 8.535 7.614 7.688 1.00 0.00 H new ATOM 0 HA HIS A 50 8.992 6.159 5.973 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.935 4.448 7.402 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.853 4.908 5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.575 6.411 8.967 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.811 8.572 5.581 1.00 0.00 H new ATOM 0 HE2 HIS A 50 14.234 8.251 8.101 1.00 0.00 H new ATOM 804 N ASP A 51 7.896 4.814 8.653 1.00 0.00 N ATOM 805 CA ASP A 51 7.217 3.811 9.503 1.00 0.00 C ATOM 806 C ASP A 51 5.763 3.521 9.234 1.00 0.00 C ATOM 807 O ASP A 51 5.218 2.566 9.753 1.00 0.00 O ATOM 808 CB ASP A 51 7.299 4.296 10.971 1.00 0.00 C ATOM 809 CG ASP A 51 8.730 4.632 11.320 1.00 0.00 C ATOM 810 OD1 ASP A 51 9.614 3.844 11.018 1.00 0.00 O ATOM 811 OD2 ASP A 51 8.930 5.686 11.882 1.00 0.00 O ATOM 0 H ASP A 51 7.739 5.768 8.978 1.00 0.00 H new ATOM 0 HA ASP A 51 7.743 2.884 9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.666 5.172 11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.924 3.522 11.641 1.00 0.00 H new ATOM 816 N ILE A 52 5.040 4.266 8.422 1.00 0.00 N ATOM 817 CA ILE A 52 3.640 4.035 8.073 1.00 0.00 C ATOM 818 C ILE A 52 3.623 4.115 6.529 1.00 0.00 C ATOM 819 O ILE A 52 4.049 5.117 6.024 1.00 0.00 O ATOM 820 CB ILE A 52 2.620 4.927 8.744 1.00 0.00 C ATOM 821 CG1 ILE A 52 2.593 6.354 8.243 1.00 0.00 C ATOM 822 CG2 ILE A 52 2.943 4.840 10.255 1.00 0.00 C ATOM 823 CD1 ILE A 52 3.808 7.173 8.675 1.00 0.00 C ATOM 0 H ILE A 52 5.426 5.091 7.962 1.00 0.00 H new ATOM 0 HA ILE A 52 3.311 3.069 8.455 1.00 0.00 H new ATOM 0 HB ILE A 52 1.613 4.581 8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.537 6.348 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.688 6.841 8.606 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.244 5.463 10.813 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.853 3.806 10.587 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.960 5.190 10.430 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.723 8.186 8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.854 7.210 9.763 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.716 6.709 8.289 1.00 0.00 H new ATOM 835 N ALA A 53 3.192 3.064 5.942 1.00 0.00 N ATOM 836 CA ALA A 53 3.206 2.915 4.438 1.00 0.00 C ATOM 837 C ALA A 53 1.789 2.767 3.891 1.00 0.00 C ATOM 838 O ALA A 53 1.070 1.776 4.055 1.00 0.00 O ATOM 839 CB ALA A 53 4.040 1.631 4.275 1.00 0.00 C ATOM 0 H ALA A 53 2.811 2.257 6.437 1.00 0.00 H new ATOM 0 HA ALA A 53 3.612 3.768 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.138 1.392 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.030 1.783 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.544 0.807 4.788 1.00 0.00 H new ATOM 845 N PHE A 54 1.379 3.869 3.259 1.00 0.00 N ATOM 846 CA PHE A 54 0.030 4.020 2.657 1.00 0.00 C ATOM 847 C PHE A 54 0.097 4.168 1.116 1.00 0.00 C ATOM 848 O PHE A 54 0.482 5.158 0.542 1.00 0.00 O ATOM 849 CB PHE A 54 -0.770 5.195 3.253 1.00 0.00 C ATOM 850 CG PHE A 54 -2.239 4.940 3.383 1.00 0.00 C ATOM 851 CD1 PHE A 54 -3.019 4.507 2.321 1.00 0.00 C ATOM 852 CD2 PHE A 54 -2.866 5.148 4.634 1.00 0.00 C ATOM 853 CE1 PHE A 54 -4.382 4.282 2.480 1.00 0.00 C ATOM 854 CE2 PHE A 54 -4.248 4.916 4.786 1.00 0.00 C ATOM 855 CZ PHE A 54 -5.029 4.480 3.705 1.00 0.00 C ATOM 0 H PHE A 54 1.969 4.693 3.144 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.497 3.098 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.366 5.431 4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.620 6.075 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.561 4.342 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.282 5.486 5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.959 3.944 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.712 5.076 5.748 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.089 4.304 3.814 1.00 0.00 H new ATOM 865 N VAL A 55 -0.280 3.057 0.487 1.00 0.00 N ATOM 866 CA VAL A 55 -0.221 2.865 -0.970 1.00 0.00 C ATOM 867 C VAL A 55 -1.597 2.674 -1.627 1.00 0.00 C ATOM 868 O VAL A 55 -2.291 1.681 -1.601 1.00 0.00 O ATOM 869 CB VAL A 55 0.566 1.549 -1.227 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.890 1.343 -2.683 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.828 1.578 -0.349 1.00 0.00 C ATOM 0 H VAL A 55 -0.644 2.243 0.983 1.00 0.00 H new ATOM 0 HA VAL A 55 0.236 3.759 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.055 0.695 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.440 0.410 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.035 1.298 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.500 2.173 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.403 0.665 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.437 2.441 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.540 1.648 0.700 1.00 0.00 H new ATOM 881 N GLU A 56 -1.958 3.758 -2.274 1.00 0.00 N ATOM 882 CA GLU A 56 -3.206 3.966 -3.034 1.00 0.00 C ATOM 883 C GLU A 56 -2.964 3.754 -4.549 1.00 0.00 C ATOM 884 O GLU A 56 -2.424 4.563 -5.250 1.00 0.00 O ATOM 885 CB GLU A 56 -3.826 5.362 -2.816 1.00 0.00 C ATOM 886 CG GLU A 56 -5.206 5.510 -3.473 1.00 0.00 C ATOM 887 CD GLU A 56 -5.664 6.957 -3.377 1.00 0.00 C ATOM 888 OE1 GLU A 56 -5.229 7.614 -2.435 1.00 0.00 O ATOM 889 OE2 GLU A 56 -6.424 7.396 -4.218 1.00 0.00 O ATOM 0 H GLU A 56 -1.359 4.583 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.913 3.228 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.916 5.551 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.154 6.120 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.158 5.202 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.926 4.857 -2.981 1.00 0.00 H new ATOM 896 N PHE A 57 -3.362 2.581 -4.983 1.00 0.00 N ATOM 897 CA PHE A 57 -3.165 2.063 -6.349 1.00 0.00 C ATOM 898 C PHE A 57 -4.479 2.052 -7.165 1.00 0.00 C ATOM 899 O PHE A 57 -5.304 1.224 -6.905 1.00 0.00 O ATOM 900 CB PHE A 57 -2.682 0.594 -6.210 1.00 0.00 C ATOM 901 CG PHE A 57 -1.157 0.636 -6.321 1.00 0.00 C ATOM 902 CD1 PHE A 57 -0.656 1.190 -7.515 1.00 0.00 C ATOM 903 CD2 PHE A 57 -0.327 0.163 -5.321 1.00 0.00 C ATOM 904 CE1 PHE A 57 0.732 1.241 -7.656 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.049 0.221 -5.479 1.00 0.00 C ATOM 906 CZ PHE A 57 1.571 0.758 -6.645 1.00 0.00 C ATOM 0 H PHE A 57 -3.854 1.921 -4.381 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.451 2.702 -6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.992 0.171 -5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.112 -0.033 -6.991 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.316 1.559 -8.287 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.750 -0.251 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.163 1.657 -8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.705 -0.147 -4.704 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.642 0.805 -6.776 1.00 0.00 H new ATOM 916 N ASP A 58 -4.536 2.996 -8.030 1.00 0.00 N ATOM 917 CA ASP A 58 -5.706 3.263 -8.925 1.00 0.00 C ATOM 918 C ASP A 58 -6.653 2.087 -9.013 1.00 0.00 C ATOM 919 O ASP A 58 -7.848 2.129 -8.791 1.00 0.00 O ATOM 920 CB ASP A 58 -5.244 3.572 -10.368 1.00 0.00 C ATOM 921 CG ASP A 58 -6.511 3.957 -11.149 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.976 5.077 -10.965 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.029 3.179 -11.925 1.00 0.00 O ATOM 0 H ASP A 58 -3.767 3.651 -8.175 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.219 4.116 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.518 4.385 -10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.759 2.705 -10.816 1.00 0.00 H new ATOM 928 N ASN A 59 -6.105 0.951 -9.355 1.00 0.00 N ATOM 929 CA ASN A 59 -6.898 -0.304 -9.486 1.00 0.00 C ATOM 930 C ASN A 59 -6.132 -1.442 -8.775 1.00 0.00 C ATOM 931 O ASN A 59 -4.944 -1.466 -8.813 1.00 0.00 O ATOM 932 CB ASN A 59 -7.108 -0.581 -10.964 1.00 0.00 C ATOM 933 CG ASN A 59 -6.718 -2.006 -11.344 1.00 0.00 C ATOM 934 OD1 ASN A 59 -5.536 -2.285 -11.383 1.00 0.00 O ATOM 935 ND2 ASN A 59 -7.620 -2.916 -11.621 1.00 0.00 N ATOM 0 H ASN A 59 -5.111 0.840 -9.554 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.878 -0.219 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.154 -0.412 -11.218 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.519 0.124 -11.551 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.330 -3.862 -11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.611 -2.678 -11.587 1.00 0.00 H new ATOM 942 N GLU A 60 -6.886 -2.297 -8.171 1.00 0.00 N ATOM 943 CA GLU A 60 -6.364 -3.492 -7.396 1.00 0.00 C ATOM 944 C GLU A 60 -5.541 -4.467 -8.236 1.00 0.00 C ATOM 945 O GLU A 60 -4.784 -5.242 -7.727 1.00 0.00 O ATOM 946 CB GLU A 60 -7.490 -4.167 -6.619 1.00 0.00 C ATOM 947 CG GLU A 60 -8.526 -4.799 -7.534 1.00 0.00 C ATOM 948 CD GLU A 60 -9.170 -6.034 -6.907 1.00 0.00 C ATOM 949 OE1 GLU A 60 -8.713 -6.461 -5.871 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.121 -6.500 -7.521 1.00 0.00 O ATOM 0 H GLU A 60 -7.904 -2.230 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.648 -3.106 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.070 -4.933 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.976 -3.433 -5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.299 -4.066 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.055 -5.076 -8.477 1.00 0.00 H new ATOM 957 N VAL A 61 -5.615 -4.508 -9.554 1.00 0.00 N ATOM 958 CA VAL A 61 -4.751 -5.464 -10.344 1.00 0.00 C ATOM 959 C VAL A 61 -3.322 -4.851 -10.247 1.00 0.00 C ATOM 960 O VAL A 61 -2.331 -5.518 -10.072 1.00 0.00 O ATOM 961 CB VAL A 61 -5.199 -5.536 -11.791 1.00 0.00 C ATOM 962 CG1 VAL A 61 -4.169 -6.345 -12.594 1.00 0.00 C ATOM 963 CG2 VAL A 61 -6.515 -6.347 -11.835 1.00 0.00 C ATOM 0 H VAL A 61 -6.234 -3.923 -10.116 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.803 -6.483 -9.960 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.314 -4.530 -12.195 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.483 -6.402 -13.636 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.196 -5.857 -12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.095 -7.351 -12.182 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.865 -6.417 -12.865 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.339 -7.348 -11.442 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.271 -5.848 -11.229 1.00 0.00 H new ATOM 973 N GLN A 62 -3.323 -3.539 -10.369 1.00 0.00 N ATOM 974 CA GLN A 62 -2.036 -2.796 -10.254 1.00 0.00 C ATOM 975 C GLN A 62 -1.666 -2.622 -8.768 1.00 0.00 C ATOM 976 O GLN A 62 -0.497 -2.568 -8.431 1.00 0.00 O ATOM 977 CB GLN A 62 -1.987 -1.436 -10.952 1.00 0.00 C ATOM 978 CG GLN A 62 -2.793 -1.384 -12.266 1.00 0.00 C ATOM 979 CD GLN A 62 -3.741 -0.183 -12.187 1.00 0.00 C ATOM 980 OE1 GLN A 62 -4.257 0.070 -11.130 1.00 0.00 O ATOM 981 NE2 GLN A 62 -4.030 0.583 -13.193 1.00 0.00 N ATOM 0 H GLN A 62 -4.149 -2.965 -10.540 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.310 -3.414 -10.783 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.368 -0.674 -10.272 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.948 -1.183 -11.163 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.124 -1.287 -13.121 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.356 -2.307 -12.405 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.614 0.403 -14.107 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.673 1.365 -13.070 1.00 0.00 H new ATOM 990 N ALA A 63 -2.609 -2.529 -7.895 1.00 0.00 N ATOM 991 CA ALA A 63 -2.341 -2.344 -6.434 1.00 0.00 C ATOM 992 C ALA A 63 -1.761 -3.707 -6.005 1.00 0.00 C ATOM 993 O ALA A 63 -0.789 -3.827 -5.298 1.00 0.00 O ATOM 994 CB ALA A 63 -3.613 -2.112 -5.634 1.00 0.00 C ATOM 0 H ALA A 63 -3.600 -2.574 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.696 -1.482 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.362 -1.984 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.114 -1.216 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.276 -2.970 -5.747 1.00 0.00 H new ATOM 1000 N GLY A 64 -2.438 -4.700 -6.503 1.00 0.00 N ATOM 1001 CA GLY A 64 -2.093 -6.140 -6.267 1.00 0.00 C ATOM 1002 C GLY A 64 -0.766 -6.399 -6.968 1.00 0.00 C ATOM 1003 O GLY A 64 0.058 -7.163 -6.511 1.00 0.00 O ATOM 0 H GLY A 64 -3.259 -4.570 -7.095 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.013 -6.348 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.872 -6.793 -6.661 1.00 0.00 H new ATOM 1007 N ALA A 65 -0.526 -5.786 -8.086 1.00 0.00 N ATOM 1008 CA ALA A 65 0.741 -5.974 -8.855 1.00 0.00 C ATOM 1009 C ALA A 65 1.872 -5.446 -7.997 1.00 0.00 C ATOM 1010 O ALA A 65 2.758 -6.199 -7.651 1.00 0.00 O ATOM 1011 CB ALA A 65 0.682 -5.107 -10.130 1.00 0.00 C ATOM 0 H ALA A 65 -1.180 -5.135 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 65 0.882 -7.024 -9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.602 -5.236 -10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.168 -5.413 -10.739 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.571 -4.059 -9.852 1.00 0.00 H new ATOM 1017 N ALA A 66 1.861 -4.184 -7.632 1.00 0.00 N ATOM 1018 CA ALA A 66 2.884 -3.536 -6.778 1.00 0.00 C ATOM 1019 C ALA A 66 2.953 -4.259 -5.431 1.00 0.00 C ATOM 1020 O ALA A 66 4.018 -4.644 -4.963 1.00 0.00 O ATOM 1021 CB ALA A 66 2.400 -2.109 -6.460 1.00 0.00 C ATOM 0 H ALA A 66 1.123 -3.542 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 66 3.846 -3.553 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.135 -1.607 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.276 -1.552 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.446 -2.157 -5.935 1.00 0.00 H new ATOM 1027 N ARG A 67 1.838 -4.459 -4.800 1.00 0.00 N ATOM 1028 CA ARG A 67 1.724 -5.139 -3.504 1.00 0.00 C ATOM 1029 C ARG A 67 2.334 -6.538 -3.608 1.00 0.00 C ATOM 1030 O ARG A 67 3.249 -6.817 -2.895 1.00 0.00 O ATOM 1031 CB ARG A 67 0.264 -5.266 -3.015 1.00 0.00 C ATOM 1032 CG ARG A 67 0.314 -5.622 -1.514 1.00 0.00 C ATOM 1033 CD ARG A 67 0.495 -7.143 -1.330 1.00 0.00 C ATOM 1034 NE ARG A 67 -0.681 -7.742 -0.610 1.00 0.00 N ATOM 1035 CZ ARG A 67 -0.731 -7.714 0.685 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -0.214 -8.685 1.412 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -1.300 -6.717 1.325 1.00 0.00 N ATOM 0 H ARG A 67 0.938 -4.150 -5.168 1.00 0.00 H new ATOM 0 HA ARG A 67 2.260 -4.528 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.276 -4.332 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.264 -6.037 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.136 -5.090 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.604 -5.296 -1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.611 -7.619 -2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.408 -7.339 -0.768 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.440 -8.170 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.237 -9.479 0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.265 -8.642 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.713 -5.945 0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.328 -6.715 2.345 1.00 0.00 H new ATOM 1051 N ASP A 68 1.843 -7.371 -4.481 1.00 0.00 N ATOM 1052 CA ASP A 68 2.353 -8.749 -4.682 1.00 0.00 C ATOM 1053 C ASP A 68 3.825 -8.746 -5.174 1.00 0.00 C ATOM 1054 O ASP A 68 4.539 -9.662 -4.811 1.00 0.00 O ATOM 1055 CB ASP A 68 1.522 -9.514 -5.752 1.00 0.00 C ATOM 1056 CG ASP A 68 2.154 -10.882 -5.984 1.00 0.00 C ATOM 1057 OD1 ASP A 68 1.809 -11.771 -5.228 1.00 0.00 O ATOM 1058 OD2 ASP A 68 2.954 -10.967 -6.897 1.00 0.00 O ATOM 0 H ASP A 68 1.064 -7.133 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 68 2.274 -9.239 -3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.491 -9.627 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.495 -8.948 -6.683 1.00 0.00 H new ATOM 1063 N ALA A 69 4.247 -7.792 -5.944 1.00 0.00 N ATOM 1064 CA ALA A 69 5.668 -7.788 -6.432 1.00 0.00 C ATOM 1065 C ALA A 69 6.615 -7.437 -5.274 1.00 0.00 C ATOM 1066 O ALA A 69 7.692 -7.971 -5.213 1.00 0.00 O ATOM 1067 CB ALA A 69 5.838 -6.823 -7.595 1.00 0.00 C ATOM 0 H ALA A 69 3.677 -7.008 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 69 5.920 -8.784 -6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.875 -6.837 -7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.186 -7.124 -8.415 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.575 -5.815 -7.273 1.00 0.00 H new ATOM 1073 N LEU A 70 6.158 -6.559 -4.432 1.00 0.00 N ATOM 1074 CA LEU A 70 7.007 -6.134 -3.253 1.00 0.00 C ATOM 1075 C LEU A 70 6.451 -6.762 -1.987 1.00 0.00 C ATOM 1076 O LEU A 70 6.880 -6.544 -0.858 1.00 0.00 O ATOM 1077 CB LEU A 70 7.036 -4.611 -3.240 1.00 0.00 C ATOM 1078 CG LEU A 70 6.600 -3.993 -1.922 1.00 0.00 C ATOM 1079 CD1 LEU A 70 7.837 -3.743 -1.059 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.989 -2.601 -2.188 1.00 0.00 C ATOM 0 H LEU A 70 5.243 -6.112 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 70 8.038 -6.481 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.048 -4.276 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.389 -4.239 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 70 5.888 -4.663 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.535 -3.299 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.347 -4.688 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.512 -3.063 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.675 -2.155 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.734 -1.961 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.126 -2.702 -2.846 1.00 0.00 H new ATOM 1092 N GLN A 71 5.455 -7.586 -2.148 1.00 0.00 N ATOM 1093 CA GLN A 71 4.751 -8.308 -1.062 1.00 0.00 C ATOM 1094 C GLN A 71 5.756 -9.225 -0.343 1.00 0.00 C ATOM 1095 O GLN A 71 6.098 -10.277 -0.847 1.00 0.00 O ATOM 1096 CB GLN A 71 3.645 -9.236 -1.581 1.00 0.00 C ATOM 1097 CG GLN A 71 3.289 -10.285 -0.510 1.00 0.00 C ATOM 1098 CD GLN A 71 1.858 -10.780 -0.722 1.00 0.00 C ATOM 1099 OE1 GLN A 71 0.994 -10.103 -1.260 1.00 0.00 O ATOM 1100 NE2 GLN A 71 1.518 -11.969 -0.324 1.00 0.00 N ATOM 0 H GLN A 71 5.075 -7.800 -3.070 1.00 0.00 H new ATOM 0 HA GLN A 71 4.316 -7.545 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.761 -8.653 -1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.975 -9.733 -2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.984 -11.123 -0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.389 -9.850 0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.205 -12.571 0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.564 -12.301 -0.466 1.00 0.00 H new ATOM 1109 N GLY A 72 6.183 -8.780 0.791 1.00 0.00 N ATOM 1110 CA GLY A 72 7.158 -9.622 1.527 1.00 0.00 C ATOM 1111 C GLY A 72 8.505 -8.870 1.477 1.00 0.00 C ATOM 1112 O GLY A 72 9.508 -9.537 1.430 1.00 0.00 O ATOM 0 H GLY A 72 5.915 -7.901 1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.838 -9.777 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.245 -10.607 1.068 1.00 0.00 H new ATOM 1116 N PHE A 73 8.447 -7.576 1.493 1.00 0.00 N ATOM 1117 CA PHE A 73 9.670 -6.699 1.469 1.00 0.00 C ATOM 1118 C PHE A 73 10.328 -6.883 2.846 1.00 0.00 C ATOM 1119 O PHE A 73 10.425 -5.957 3.611 1.00 0.00 O ATOM 1120 CB PHE A 73 9.241 -5.249 1.363 1.00 0.00 C ATOM 1121 CG PHE A 73 10.344 -4.350 0.852 1.00 0.00 C ATOM 1122 CD1 PHE A 73 11.629 -4.881 0.723 1.00 0.00 C ATOM 1123 CD2 PHE A 73 10.139 -3.010 0.504 1.00 0.00 C ATOM 1124 CE1 PHE A 73 12.675 -4.066 0.249 1.00 0.00 C ATOM 1125 CE2 PHE A 73 11.174 -2.187 0.029 1.00 0.00 C ATOM 1126 CZ PHE A 73 12.451 -2.740 -0.093 1.00 0.00 C ATOM 0 H PHE A 73 7.570 -7.056 1.523 1.00 0.00 H new ATOM 0 HA PHE A 73 10.329 -6.950 0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.381 -5.177 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.916 -4.898 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.820 -5.911 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.148 -2.593 0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.668 -4.480 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.988 -1.156 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.267 -2.133 -0.455 1.00 0.00 H new ATOM 1136 N LYS A 74 10.754 -8.093 3.106 1.00 0.00 N ATOM 1137 CA LYS A 74 11.387 -8.473 4.381 1.00 0.00 C ATOM 1138 C LYS A 74 12.681 -7.697 4.665 1.00 0.00 C ATOM 1139 O LYS A 74 13.728 -8.269 4.498 1.00 0.00 O ATOM 1140 CB LYS A 74 11.725 -9.975 4.451 1.00 0.00 C ATOM 1141 CG LYS A 74 12.155 -10.498 3.090 1.00 0.00 C ATOM 1142 CD LYS A 74 13.422 -11.364 3.169 1.00 0.00 C ATOM 1143 CE LYS A 74 13.313 -12.606 2.285 1.00 0.00 C ATOM 1144 NZ LYS A 74 14.290 -12.509 1.179 1.00 0.00 N ATOM 0 H LYS A 74 10.678 -8.864 2.442 1.00 0.00 H new ATOM 0 HA LYS A 74 10.638 -8.223 5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.522 -10.139 5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.856 -10.532 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.344 -11.084 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.334 -9.657 2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.286 -10.774 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.592 -11.666 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.502 -13.503 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.303 -12.694 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.217 -13.353 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.089 -11.661 0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.252 -12.445 1.570 1.00 0.00 H new ATOM 1158 N ILE A 75 12.522 -6.484 5.081 1.00 0.00 N ATOM 1159 CA ILE A 75 13.644 -5.571 5.453 1.00 0.00 C ATOM 1160 C ILE A 75 14.626 -6.419 6.289 1.00 0.00 C ATOM 1161 O ILE A 75 15.829 -6.257 6.272 1.00 0.00 O ATOM 1162 CB ILE A 75 13.045 -4.423 6.268 1.00 0.00 C ATOM 1163 CG1 ILE A 75 11.935 -3.699 5.521 1.00 0.00 C ATOM 1164 CG2 ILE A 75 14.156 -3.409 6.595 1.00 0.00 C ATOM 1165 CD1 ILE A 75 10.592 -3.768 6.275 1.00 0.00 C ATOM 0 H ILE A 75 11.603 -6.055 5.187 1.00 0.00 H new ATOM 0 HA ILE A 75 14.169 -5.146 4.598 1.00 0.00 H new ATOM 0 HB ILE A 75 12.617 -4.852 7.174 1.00 0.00 H new ATOM 0 HG12 ILE A 75 12.216 -2.656 5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.818 -4.139 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 75 13.739 -2.587 7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 75 14.939 -3.901 7.173 1.00 0.00 H new ATOM 0 HG23 ILE A 75 14.578 -3.021 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.828 -3.238 5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.296 -4.810 6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.701 -3.304 7.255 1.00 0.00 H new ATOM 1177 N THR A 76 14.056 -7.353 7.026 1.00 0.00 N ATOM 1178 CA THR A 76 14.939 -8.224 7.843 1.00 0.00 C ATOM 1179 C THR A 76 14.417 -9.681 7.906 1.00 0.00 C ATOM 1180 O THR A 76 15.144 -10.601 7.586 1.00 0.00 O ATOM 1181 CB THR A 76 15.045 -7.633 9.270 1.00 0.00 C ATOM 1182 OG1 THR A 76 15.589 -6.323 9.178 1.00 0.00 O ATOM 1183 CG2 THR A 76 15.963 -8.506 10.102 1.00 0.00 C ATOM 0 H THR A 76 13.055 -7.538 7.090 1.00 0.00 H new ATOM 0 HA THR A 76 15.922 -8.255 7.373 1.00 0.00 H new ATOM 0 HB THR A 76 14.061 -7.594 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.166 -5.745 9.847 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.042 -8.095 11.109 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.557 -9.516 10.153 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.951 -8.535 9.643 1.00 0.00 H new ATOM 1191 N GLN A 77 13.199 -9.807 8.309 1.00 0.00 N ATOM 1192 CA GLN A 77 12.499 -11.133 8.453 1.00 0.00 C ATOM 1193 C GLN A 77 11.287 -10.852 9.376 1.00 0.00 C ATOM 1194 O GLN A 77 10.191 -11.321 9.212 1.00 0.00 O ATOM 1195 CB GLN A 77 13.370 -12.174 9.117 1.00 0.00 C ATOM 1196 CG GLN A 77 13.425 -13.426 8.220 1.00 0.00 C ATOM 1197 CD GLN A 77 13.834 -14.655 9.034 1.00 0.00 C ATOM 1198 OE1 GLN A 77 14.843 -15.241 8.733 1.00 0.00 O ATOM 1199 NE2 GLN A 77 13.087 -15.051 10.040 1.00 0.00 N ATOM 0 H GLN A 77 12.614 -9.010 8.562 1.00 0.00 H new ATOM 0 HA GLN A 77 12.229 -11.522 7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.374 -11.780 9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.969 -12.430 10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.450 -13.595 7.762 1.00 0.00 H new ATOM 0 HG3 GLN A 77 14.136 -13.268 7.409 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.237 -14.539 10.276 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.357 -15.870 10.584 1.00 0.00 H new ATOM 1208 N ASN A 78 11.569 -10.031 10.347 1.00 0.00 N ATOM 1209 CA ASN A 78 10.534 -9.562 11.341 1.00 0.00 C ATOM 1210 C ASN A 78 10.093 -8.194 10.762 1.00 0.00 C ATOM 1211 O ASN A 78 8.937 -7.879 10.620 1.00 0.00 O ATOM 1212 CB ASN A 78 11.099 -9.436 12.740 1.00 0.00 C ATOM 1213 CG ASN A 78 12.624 -9.524 12.793 1.00 0.00 C ATOM 1214 OD1 ASN A 78 13.147 -10.609 12.788 1.00 0.00 O ATOM 1215 ND2 ASN A 78 13.300 -8.412 12.831 1.00 0.00 N ATOM 0 H ASN A 78 12.501 -9.648 10.507 1.00 0.00 H new ATOM 0 HA ASN A 78 9.707 -10.262 11.456 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.783 -8.484 13.166 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.676 -10.222 13.366 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.319 -8.436 12.858 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.810 -7.517 12.834 1.00 0.00 H new ATOM 1222 N ASN A 79 11.116 -7.442 10.407 1.00 0.00 N ATOM 1223 CA ASN A 79 10.909 -6.106 9.729 1.00 0.00 C ATOM 1224 C ASN A 79 10.486 -6.534 8.301 1.00 0.00 C ATOM 1225 O ASN A 79 11.225 -7.347 7.752 1.00 0.00 O ATOM 1226 CB ASN A 79 12.196 -5.315 9.739 1.00 0.00 C ATOM 1227 CG ASN A 79 12.617 -5.165 11.217 1.00 0.00 C ATOM 1228 OD1 ASN A 79 13.785 -5.251 11.517 1.00 0.00 O ATOM 1229 ND2 ASN A 79 11.697 -4.944 12.128 1.00 0.00 N ATOM 0 H ASN A 79 12.093 -7.695 10.557 1.00 0.00 H new ATOM 0 HA ASN A 79 10.176 -5.455 10.206 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.969 -5.828 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.053 -4.338 9.277 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.963 -4.842 13.107 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.716 -4.874 11.856 1.00 0.00 H new ATOM 1236 N ALA A 80 9.415 -6.079 7.755 1.00 0.00 N ATOM 1237 CA ALA A 80 9.067 -6.661 6.415 1.00 0.00 C ATOM 1238 C ALA A 80 7.772 -5.959 5.983 1.00 0.00 C ATOM 1239 O ALA A 80 6.829 -6.040 6.723 1.00 0.00 O ATOM 1240 CB ALA A 80 8.715 -8.149 6.531 1.00 0.00 C ATOM 0 H ALA A 80 8.785 -5.372 8.134 1.00 0.00 H new ATOM 0 HA ALA A 80 9.906 -6.536 5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.468 -8.542 5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.568 -8.694 6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.859 -8.270 7.195 1.00 0.00 H new ATOM 1246 N MET A 81 7.841 -5.329 4.860 1.00 0.00 N ATOM 1247 CA MET A 81 6.646 -4.621 4.374 1.00 0.00 C ATOM 1248 C MET A 81 5.331 -5.223 4.856 1.00 0.00 C ATOM 1249 O MET A 81 4.872 -6.253 4.404 1.00 0.00 O ATOM 1250 CB MET A 81 6.565 -4.569 2.831 1.00 0.00 C ATOM 1251 CG MET A 81 5.225 -3.983 2.368 1.00 0.00 C ATOM 1252 SD MET A 81 4.680 -4.903 0.923 1.00 0.00 S ATOM 1253 CE MET A 81 3.642 -6.139 1.699 1.00 0.00 C ATOM 0 H MET A 81 8.665 -5.273 4.262 1.00 0.00 H new ATOM 0 HA MET A 81 6.768 -3.621 4.791 1.00 0.00 H new ATOM 0 HB2 MET A 81 7.384 -3.965 2.441 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.687 -5.572 2.423 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.484 -4.052 3.165 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.335 -2.926 2.126 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.912 -6.506 0.978 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.260 -6.968 2.044 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.122 -5.696 2.548 1.00 0.00 H new ATOM 1263 N LYS A 82 4.628 -4.587 5.762 1.00 0.00 N ATOM 1264 CA LYS A 82 3.273 -5.052 6.210 1.00 0.00 C ATOM 1265 C LYS A 82 2.256 -3.927 5.823 1.00 0.00 C ATOM 1266 O LYS A 82 2.286 -2.932 6.496 1.00 0.00 O ATOM 1267 CB LYS A 82 3.246 -5.265 7.719 1.00 0.00 C ATOM 1268 CG LYS A 82 4.457 -6.051 8.274 1.00 0.00 C ATOM 1269 CD LYS A 82 4.080 -6.503 9.679 1.00 0.00 C ATOM 1270 CE LYS A 82 3.570 -5.279 10.446 1.00 0.00 C ATOM 1271 NZ LYS A 82 3.307 -5.604 11.879 1.00 0.00 N ATOM 0 H LYS A 82 4.947 -3.736 6.225 1.00 0.00 H new ATOM 0 HA LYS A 82 3.022 -6.001 5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.203 -4.293 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.331 -5.796 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.685 -6.908 7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.348 -5.424 8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.312 -7.275 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.942 -6.938 10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.304 -4.476 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.655 -4.912 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.963 -4.754 12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.588 -6.353 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.186 -5.931 12.328 1.00 0.00 H new ATOM 1285 N ILE A 83 1.516 -4.229 4.762 1.00 0.00 N ATOM 1286 CA ILE A 83 0.550 -3.368 4.077 1.00 0.00 C ATOM 1287 C ILE A 83 -0.767 -4.180 4.053 1.00 0.00 C ATOM 1288 O ILE A 83 -0.770 -5.316 3.653 1.00 0.00 O ATOM 1289 CB ILE A 83 1.079 -3.154 2.626 1.00 0.00 C ATOM 1290 CG1 ILE A 83 2.254 -2.175 2.641 1.00 0.00 C ATOM 1291 CG2 ILE A 83 0.010 -2.585 1.721 1.00 0.00 C ATOM 1292 CD1 ILE A 83 2.852 -2.060 1.222 1.00 0.00 C ATOM 0 H ILE A 83 1.578 -5.148 4.324 1.00 0.00 H new ATOM 0 HA ILE A 83 0.403 -2.398 4.552 1.00 0.00 H new ATOM 0 HB ILE A 83 1.387 -4.128 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.920 -1.196 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.016 -2.517 3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.416 -2.450 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.836 -3.272 1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.322 -1.623 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.689 -1.362 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.201 -3.039 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.088 -1.698 0.534 1.00 0.00 H new ATOM 1304 N SER A 84 -1.741 -3.512 4.534 1.00 0.00 N ATOM 1305 CA SER A 84 -3.148 -3.999 4.774 1.00 0.00 C ATOM 1306 C SER A 84 -4.086 -3.286 3.774 1.00 0.00 C ATOM 1307 O SER A 84 -4.354 -2.151 3.975 1.00 0.00 O ATOM 1308 CB SER A 84 -3.613 -3.757 6.195 1.00 0.00 C ATOM 1309 OG SER A 84 -5.033 -3.571 6.205 1.00 0.00 O ATOM 0 H SER A 84 -1.626 -2.536 4.808 1.00 0.00 H new ATOM 0 HA SER A 84 -3.170 -5.078 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.341 -4.602 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.117 -2.878 6.607 1.00 0.00 H new ATOM 0 HG SER A 84 -5.336 -3.416 7.124 1.00 0.00 H new ATOM 1315 N PHE A 85 -4.486 -4.000 2.791 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.401 -3.498 1.732 1.00 0.00 C ATOM 1317 C PHE A 85 -6.625 -2.769 2.233 1.00 0.00 C ATOM 1318 O PHE A 85 -7.565 -2.574 1.473 1.00 0.00 O ATOM 1319 CB PHE A 85 -5.889 -4.634 0.810 1.00 0.00 C ATOM 1320 CG PHE A 85 -5.534 -5.997 1.280 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -6.146 -6.517 2.423 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -4.573 -6.716 0.534 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -5.788 -7.793 2.833 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -4.244 -7.990 0.977 1.00 0.00 C ATOM 1325 CZ PHE A 85 -4.832 -8.549 2.113 1.00 0.00 C ATOM 0 H PHE A 85 -4.206 -4.972 2.660 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.782 -2.782 1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.973 -4.567 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.469 -4.485 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.877 -5.942 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.113 -6.291 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.246 -8.216 3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.513 -8.564 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.562 -9.543 2.438 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.720 -2.318 3.435 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.953 -1.569 3.848 1.00 0.00 C ATOM 1337 C ALA A 86 -9.195 -2.425 3.821 1.00 0.00 C ATOM 1338 O ALA A 86 -10.203 -2.025 3.299 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.069 -0.330 2.944 1.00 0.00 C ATOM 0 H ALA A 86 -6.010 -2.426 4.159 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.862 -1.260 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.958 0.239 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.185 0.295 3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.147 -0.645 1.903 1.00 0.00 H new