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 180:sc= -1.07 USER MOD Set 1.2: A 78 ASN : amide:sc= -0.252 X(o=-2.1,f=-2.1) USER MOD Set 1.3: A 79 ASN : amide:sc= -0.736 K(o=-2.1,f=-3.8) USER MOD Set 2.1: A 59 ASN : amide:sc= -2.93 K(o=-7,f=-14!) USER MOD Set 2.2: A 62 GLN : amide:sc= -4.11! C(o=-7!,f=-17!) USER MOD Single : A 13 ASN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -2.97! C(o=-3!,f=-5!) USER MOD Single : A 19 THR OG1 : rot 101:sc= -0.185 USER MOD Single : A 20 ASN : amide:sc= -2.06 K(o=-2.1,f=-4.3!) USER MOD Single : A 25 THR OG1 : rot -112:sc= 0.711 USER MOD Single : A 26 ASN : amide:sc= -4.87! C(o=-4.9!,f=-20!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 79:sc= -0.385! USER MOD Single : A 32 MET CE :methyl -143:sc= -1.66 (180deg=-3.22!) USER MOD Single : A 35 ASN : amide:sc= -0.729 K(o=-0.73,f=-1.8!) USER MOD Single : A 36 GLN : amide:sc= -0.0978 K(o=-0.098,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -2.56! C(o=-3.6!,f=-2.6!) USER MOD Single : A 71 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.062) USER MOD Single : A 81 MET CE :methyl -143:sc= -5.22! (180deg=-11.5!) 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 -10.706 -0.388 -4.965 1.00 0.00 N ATOM 173 CA ASN A 13 -9.483 0.192 -4.368 1.00 0.00 C ATOM 174 C ASN A 13 -8.563 0.882 -5.406 1.00 0.00 C ATOM 175 O ASN A 13 -9.034 1.141 -6.482 1.00 0.00 O ATOM 176 CB ASN A 13 -8.711 -0.809 -3.490 1.00 0.00 C ATOM 177 CG ASN A 13 -9.637 -1.843 -2.811 1.00 0.00 C ATOM 178 OD1 ASN A 13 -9.895 -2.908 -3.319 1.00 0.00 O ATOM 179 ND2 ASN A 13 -10.169 -1.569 -1.641 1.00 0.00 N ATOM 0 HA ASN A 13 -9.838 0.980 -3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.976 -1.332 -4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.158 -0.264 -2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.781 -2.248 -1.187 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.970 -0.678 -1.186 1.00 0.00 H new ATOM 186 N HIS A 14 -7.353 1.124 -5.009 1.00 0.00 N ATOM 187 CA HIS A 14 -6.306 1.809 -5.795 1.00 0.00 C ATOM 188 C HIS A 14 -5.314 2.638 -4.912 1.00 0.00 C ATOM 189 O HIS A 14 -4.373 3.212 -5.387 1.00 0.00 O ATOM 190 CB HIS A 14 -6.887 2.863 -6.774 1.00 0.00 C ATOM 191 CG HIS A 14 -8.050 3.602 -6.183 1.00 0.00 C ATOM 192 ND1 HIS A 14 -8.238 3.852 -4.837 1.00 0.00 N ATOM 193 CD2 HIS A 14 -9.162 4.184 -6.730 1.00 0.00 C ATOM 194 CE1 HIS A 14 -9.377 4.531 -4.610 1.00 0.00 C ATOM 195 NE2 HIS A 14 -9.998 4.765 -5.777 1.00 0.00 N ATOM 0 H HIS A 14 -7.025 0.845 -4.084 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.810 0.986 -6.309 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.107 3.574 -7.045 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.202 2.369 -7.693 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.370 4.192 -7.790 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.736 4.840 -3.639 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.879 5.255 -5.931 1.00 0.00 H new ATOM 204 N ILE A 15 -5.515 2.727 -3.608 1.00 0.00 N ATOM 205 CA ILE A 15 -4.680 3.513 -2.658 1.00 0.00 C ATOM 206 C ILE A 15 -4.472 2.541 -1.470 1.00 0.00 C ATOM 207 O ILE A 15 -5.438 2.185 -0.865 1.00 0.00 O ATOM 208 CB ILE A 15 -5.322 4.822 -2.154 1.00 0.00 C ATOM 209 CG1 ILE A 15 -4.959 5.932 -3.149 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.657 5.169 -0.838 1.00 0.00 C ATOM 211 CD1 ILE A 15 -5.820 7.169 -2.878 1.00 0.00 C ATOM 0 H ILE A 15 -6.286 2.245 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.767 3.845 -3.152 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.402 4.719 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.903 6.185 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.116 5.584 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.084 6.092 -0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.821 4.362 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.587 5.303 -0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.560 7.956 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.873 6.912 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.641 7.522 -1.862 1.00 0.00 H new ATOM 223 N LEU A 16 -3.240 2.194 -1.242 1.00 0.00 N ATOM 224 CA LEU A 16 -2.877 1.244 -0.131 1.00 0.00 C ATOM 225 C LEU A 16 -2.052 2.010 0.941 1.00 0.00 C ATOM 226 O LEU A 16 -0.939 2.458 0.759 1.00 0.00 O ATOM 227 CB LEU A 16 -1.957 0.162 -0.661 1.00 0.00 C ATOM 228 CG LEU A 16 -2.421 -0.433 -2.007 1.00 0.00 C ATOM 229 CD1 LEU A 16 -1.290 -0.359 -3.018 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.762 -1.892 -1.738 1.00 0.00 C ATOM 0 H LEU A 16 -2.445 2.530 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.796 0.824 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.955 0.574 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.887 -0.638 0.076 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.276 0.113 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.622 -0.780 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.000 0.682 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.435 -0.925 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.098 -2.363 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.878 -2.410 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.555 -1.949 -0.993 1.00 0.00 H new ATOM 242 N PHE A 17 -2.741 2.148 2.080 1.00 0.00 N ATOM 243 CA PHE A 17 -2.327 2.898 3.259 1.00 0.00 C ATOM 244 C PHE A 17 -2.122 1.853 4.379 1.00 0.00 C ATOM 245 O PHE A 17 -2.967 1.037 4.532 1.00 0.00 O ATOM 246 CB PHE A 17 -3.261 3.995 3.713 1.00 0.00 C ATOM 247 CG PHE A 17 -2.835 4.340 5.130 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.523 4.689 5.431 1.00 0.00 C ATOM 249 CD2 PHE A 17 -3.792 4.303 6.144 1.00 0.00 C ATOM 250 CE1 PHE A 17 -1.145 5.005 6.741 1.00 0.00 C ATOM 251 CE2 PHE A 17 -3.421 4.618 7.464 1.00 0.00 C ATOM 252 CZ PHE A 17 -2.106 4.961 7.740 1.00 0.00 C ATOM 0 H PHE A 17 -3.655 1.712 2.205 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.420 3.446 3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.189 4.865 3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.298 3.661 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.785 4.717 4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.813 4.034 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.125 5.278 6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.155 4.593 8.256 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.824 5.199 8.755 1.00 0.00 H new ATOM 262 N LEU A 18 -0.980 1.936 4.947 1.00 0.00 N ATOM 263 CA LEU A 18 -0.634 1.040 6.020 1.00 0.00 C ATOM 264 C LEU A 18 0.809 1.322 6.305 1.00 0.00 C ATOM 265 O LEU A 18 1.382 2.250 5.761 1.00 0.00 O ATOM 266 CB LEU A 18 -1.110 -0.387 5.996 1.00 0.00 C ATOM 267 CG LEU A 18 -2.455 -0.510 6.763 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.753 -1.994 6.845 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.288 -0.036 8.225 1.00 0.00 C ATOM 0 H LEU A 18 -0.257 2.611 4.698 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.255 1.251 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.237 -0.719 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.362 -1.037 6.450 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.225 0.077 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.692 -2.148 7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.834 -2.405 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.947 -2.498 7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.240 -0.129 8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.538 -0.651 8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.968 1.006 8.235 1.00 0.00 H new ATOM 281 N THR A 19 1.319 0.647 7.201 1.00 0.00 N ATOM 282 CA THR A 19 2.655 0.885 7.661 1.00 0.00 C ATOM 283 C THR A 19 3.190 -0.488 8.058 1.00 0.00 C ATOM 284 O THR A 19 2.522 -1.492 7.899 1.00 0.00 O ATOM 285 CB THR A 19 2.550 1.701 8.976 1.00 0.00 C ATOM 286 OG1 THR A 19 2.717 0.846 10.079 1.00 0.00 O ATOM 287 CG2 THR A 19 1.119 2.284 9.038 1.00 0.00 C ATOM 0 H THR A 19 0.842 -0.119 7.677 1.00 0.00 H new ATOM 0 HA THR A 19 3.268 1.395 6.918 1.00 0.00 H new ATOM 0 HB THR A 19 3.311 2.481 9.000 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.631 0.931 10.423 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.003 2.867 9.951 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.950 2.926 8.174 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.394 1.470 9.033 1.00 0.00 H new ATOM 295 N ASN A 20 4.329 -0.436 8.476 1.00 0.00 N ATOM 296 CA ASN A 20 5.136 -1.599 9.001 1.00 0.00 C ATOM 297 C ASN A 20 6.513 -1.637 8.316 1.00 0.00 C ATOM 298 O ASN A 20 7.012 -2.624 7.847 1.00 0.00 O ATOM 299 CB ASN A 20 4.403 -2.917 8.966 1.00 0.00 C ATOM 300 CG ASN A 20 5.172 -3.978 9.793 1.00 0.00 C ATOM 301 OD1 ASN A 20 6.289 -3.779 10.188 1.00 0.00 O ATOM 302 ND2 ASN A 20 4.596 -5.108 10.073 1.00 0.00 N ATOM 0 H ASN A 20 4.850 0.441 8.504 1.00 0.00 H new ATOM 0 HA ASN A 20 5.300 -1.432 10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.397 -2.793 9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.297 -3.255 7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.092 -5.811 10.621 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.648 -5.292 9.745 1.00 0.00 H new ATOM 309 N LEU A 21 7.126 -0.499 8.277 1.00 0.00 N ATOM 310 CA LEU A 21 8.473 -0.362 7.634 1.00 0.00 C ATOM 311 C LEU A 21 9.399 0.289 8.645 1.00 0.00 C ATOM 312 O LEU A 21 9.176 1.402 9.076 1.00 0.00 O ATOM 313 CB LEU A 21 8.258 0.533 6.400 1.00 0.00 C ATOM 314 CG LEU A 21 6.799 0.702 6.036 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.589 1.871 5.048 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.256 -0.560 5.332 1.00 0.00 C ATOM 0 H LEU A 21 6.753 0.366 8.668 1.00 0.00 H new ATOM 0 HA LEU A 21 8.915 -1.311 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.695 1.513 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.791 0.105 5.551 1.00 0.00 H new ATOM 0 HG LEU A 21 6.276 0.891 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.529 1.961 4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.939 2.798 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.151 1.680 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.206 -0.413 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.825 -0.741 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.353 -1.418 5.997 1.00 0.00 H new ATOM 328 N PRO A 22 10.455 -0.373 9.063 1.00 0.00 N ATOM 329 CA PRO A 22 11.415 0.182 10.046 1.00 0.00 C ATOM 330 C PRO A 22 12.124 1.433 9.537 1.00 0.00 C ATOM 331 O PRO A 22 11.691 2.148 8.641 1.00 0.00 O ATOM 332 CB PRO A 22 12.438 -0.930 10.295 1.00 0.00 C ATOM 333 CG PRO A 22 11.944 -2.185 9.550 1.00 0.00 C ATOM 334 CD PRO A 22 10.801 -1.727 8.613 1.00 0.00 C ATOM 0 HA PRO A 22 10.889 0.486 10.951 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.423 -0.633 9.935 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.535 -1.130 11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.754 -2.639 8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.589 -2.938 10.254 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.122 -1.726 7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.943 -2.396 8.682 1.00 0.00 H new ATOM 342 N GLU A 23 13.269 1.800 10.072 1.00 0.00 N ATOM 343 CA GLU A 23 13.994 3.026 9.604 1.00 0.00 C ATOM 344 C GLU A 23 14.996 2.590 8.548 1.00 0.00 C ATOM 345 O GLU A 23 15.665 3.424 7.978 1.00 0.00 O ATOM 346 CB GLU A 23 14.762 3.700 10.734 1.00 0.00 C ATOM 347 CG GLU A 23 14.334 5.171 10.842 1.00 0.00 C ATOM 348 CD GLU A 23 15.102 5.863 11.969 1.00 0.00 C ATOM 349 OE1 GLU A 23 14.965 5.479 13.133 1.00 0.00 O ATOM 350 OE2 GLU A 23 15.828 6.785 11.638 1.00 0.00 O ATOM 0 H GLU A 23 13.737 1.293 10.824 1.00 0.00 H new ATOM 0 HA GLU A 23 13.264 3.737 9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.570 3.185 11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.834 3.635 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.521 5.682 9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.262 5.233 11.031 1.00 0.00 H new ATOM 357 N GLU A 24 15.092 1.325 8.297 1.00 0.00 N ATOM 358 CA GLU A 24 16.077 0.878 7.259 1.00 0.00 C ATOM 359 C GLU A 24 15.385 1.038 5.887 1.00 0.00 C ATOM 360 O GLU A 24 16.039 1.002 4.877 1.00 0.00 O ATOM 361 CB GLU A 24 16.418 -0.567 7.558 1.00 0.00 C ATOM 362 CG GLU A 24 15.615 -1.522 6.656 1.00 0.00 C ATOM 363 CD GLU A 24 15.678 -2.957 7.206 1.00 0.00 C ATOM 364 OE1 GLU A 24 16.655 -3.598 6.901 1.00 0.00 O ATOM 365 OE2 GLU A 24 14.752 -3.350 7.901 1.00 0.00 O ATOM 0 H GLU A 24 14.551 0.587 8.747 1.00 0.00 H new ATOM 0 HA GLU A 24 17.000 1.458 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.485 -0.731 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.206 -0.785 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.578 -1.193 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.014 -1.496 5.642 1.00 0.00 H new ATOM 372 N THR A 25 14.094 1.206 5.907 1.00 0.00 N ATOM 373 CA THR A 25 13.276 1.380 4.681 1.00 0.00 C ATOM 374 C THR A 25 13.514 2.797 4.168 1.00 0.00 C ATOM 375 O THR A 25 14.165 3.608 4.798 1.00 0.00 O ATOM 376 CB THR A 25 11.799 1.349 5.140 1.00 0.00 C ATOM 377 OG1 THR A 25 11.709 2.379 6.139 1.00 0.00 O ATOM 378 CG2 THR A 25 11.447 -0.011 5.720 1.00 0.00 C ATOM 0 H THR A 25 13.549 1.230 6.769 1.00 0.00 H new ATOM 0 HA THR A 25 13.512 0.625 3.931 1.00 0.00 H new ATOM 0 HB THR A 25 11.103 1.516 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.549 1.971 7.016 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.404 -0.012 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.597 -0.780 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.087 -0.218 6.578 1.00 0.00 H new ATOM 386 N ASN A 26 12.961 3.069 3.018 1.00 0.00 N ATOM 387 CA ASN A 26 13.171 4.471 2.512 1.00 0.00 C ATOM 388 C ASN A 26 12.089 4.870 1.492 1.00 0.00 C ATOM 389 O ASN A 26 11.429 4.106 0.839 1.00 0.00 O ATOM 390 CB ASN A 26 14.595 4.689 2.038 1.00 0.00 C ATOM 391 CG ASN A 26 14.777 4.618 0.537 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.179 5.261 -0.286 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.692 3.787 0.077 1.00 0.00 N ATOM 0 H ASN A 26 12.410 2.439 2.436 1.00 0.00 H new ATOM 0 HA ASN A 26 13.045 5.161 3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.935 5.664 2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.238 3.942 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.859 3.717 -0.927 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.233 3.214 0.725 1.00 0.00 H new ATOM 400 N GLU A 27 11.858 6.162 1.337 1.00 0.00 N ATOM 401 CA GLU A 27 10.836 6.717 0.424 1.00 0.00 C ATOM 402 C GLU A 27 11.090 6.413 -1.061 1.00 0.00 C ATOM 403 O GLU A 27 10.175 6.154 -1.791 1.00 0.00 O ATOM 404 CB GLU A 27 10.753 8.253 0.521 1.00 0.00 C ATOM 405 CG GLU A 27 11.044 8.752 1.924 1.00 0.00 C ATOM 406 CD GLU A 27 12.498 9.215 1.965 1.00 0.00 C ATOM 407 OE1 GLU A 27 13.319 8.420 1.533 1.00 0.00 O ATOM 408 OE2 GLU A 27 12.772 10.313 2.409 1.00 0.00 O ATOM 0 H GLU A 27 12.377 6.879 1.844 1.00 0.00 H new ATOM 0 HA GLU A 27 9.916 6.232 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.462 8.699 -0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.759 8.582 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.375 9.572 2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.875 7.960 2.653 1.00 0.00 H new ATOM 415 N LEU A 28 12.329 6.459 -1.455 1.00 0.00 N ATOM 416 CA LEU A 28 12.776 6.193 -2.860 1.00 0.00 C ATOM 417 C LEU A 28 12.699 4.658 -3.085 1.00 0.00 C ATOM 418 O LEU A 28 12.623 4.144 -4.168 1.00 0.00 O ATOM 419 CB LEU A 28 14.217 6.657 -3.097 1.00 0.00 C ATOM 420 CG LEU A 28 14.890 5.888 -4.235 1.00 0.00 C ATOM 421 CD1 LEU A 28 14.227 6.213 -5.573 1.00 0.00 C ATOM 422 CD2 LEU A 28 16.351 6.335 -4.358 1.00 0.00 C ATOM 0 H LEU A 28 13.099 6.683 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 28 12.135 6.742 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.221 7.722 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.794 6.527 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 28 14.806 4.824 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.721 5.656 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.174 5.934 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.313 7.281 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.832 5.788 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.388 7.404 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.874 6.132 -3.423 1.00 0.00 H new ATOM 434 N MET A 29 12.720 3.955 -1.969 1.00 0.00 N ATOM 435 CA MET A 29 12.653 2.445 -2.010 1.00 0.00 C ATOM 436 C MET A 29 11.211 2.093 -2.330 1.00 0.00 C ATOM 437 O MET A 29 10.812 1.428 -3.271 1.00 0.00 O ATOM 438 CB MET A 29 13.012 1.946 -0.609 1.00 0.00 C ATOM 439 CG MET A 29 13.370 0.480 -0.722 1.00 0.00 C ATOM 440 SD MET A 29 12.396 -0.572 0.378 1.00 0.00 S ATOM 441 CE MET A 29 13.411 -2.052 0.131 1.00 0.00 C ATOM 0 H MET A 29 12.780 4.357 -1.034 1.00 0.00 H new ATOM 0 HA MET A 29 13.326 2.003 -2.745 1.00 0.00 H new ATOM 0 HB2 MET A 29 13.849 2.514 -0.203 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.173 2.084 0.073 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.223 0.154 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 29 14.428 0.352 -0.495 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.006 -2.874 0.722 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.404 -2.326 -0.924 1.00 0.00 H new ATOM 0 HE3 MET A 29 14.434 -1.848 0.446 1.00 0.00 H new ATOM 451 N LEU A 30 10.345 2.592 -1.475 1.00 0.00 N ATOM 452 CA LEU A 30 8.883 2.338 -1.664 1.00 0.00 C ATOM 453 C LEU A 30 8.417 3.031 -2.941 1.00 0.00 C ATOM 454 O LEU A 30 7.585 2.620 -3.696 1.00 0.00 O ATOM 455 CB LEU A 30 8.110 2.773 -0.428 1.00 0.00 C ATOM 456 CG LEU A 30 7.976 1.554 0.513 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.079 1.644 1.574 1.00 0.00 C ATOM 458 CD2 LEU A 30 6.640 1.650 1.226 1.00 0.00 C ATOM 0 H LEU A 30 10.587 3.159 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 30 8.691 1.272 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.629 3.588 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.125 3.147 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 30 8.052 0.625 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.004 0.792 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.054 1.635 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.965 2.568 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.523 0.799 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.601 2.574 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.835 1.646 0.492 1.00 0.00 H new ATOM 470 N SER A 31 9.006 4.172 -3.221 1.00 0.00 N ATOM 471 CA SER A 31 8.666 4.975 -4.440 1.00 0.00 C ATOM 472 C SER A 31 9.099 4.175 -5.678 1.00 0.00 C ATOM 473 O SER A 31 8.323 4.027 -6.582 1.00 0.00 O ATOM 474 CB SER A 31 9.402 6.309 -4.450 1.00 0.00 C ATOM 475 OG SER A 31 8.755 7.277 -3.612 1.00 0.00 O ATOM 0 H SER A 31 9.730 4.591 -2.637 1.00 0.00 H new ATOM 0 HA SER A 31 7.594 5.171 -4.441 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.428 6.162 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.455 6.688 -5.471 1.00 0.00 H new ATOM 0 HG SER A 31 8.993 7.110 -2.676 1.00 0.00 H new ATOM 481 N MET A 32 10.286 3.665 -5.725 1.00 0.00 N ATOM 482 CA MET A 32 10.674 2.875 -6.937 1.00 0.00 C ATOM 483 C MET A 32 9.955 1.514 -6.946 1.00 0.00 C ATOM 484 O MET A 32 9.694 0.899 -7.976 1.00 0.00 O ATOM 485 CB MET A 32 12.181 2.640 -6.908 1.00 0.00 C ATOM 486 CG MET A 32 12.566 1.419 -6.066 1.00 0.00 C ATOM 487 SD MET A 32 14.334 1.036 -6.253 1.00 0.00 S ATOM 488 CE MET A 32 14.989 1.945 -4.850 1.00 0.00 C ATOM 0 H MET A 32 10.999 3.751 -5.001 1.00 0.00 H new ATOM 0 HA MET A 32 10.390 3.430 -7.831 1.00 0.00 H new ATOM 0 HB2 MET A 32 12.544 2.505 -7.927 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.676 3.525 -6.508 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.340 1.609 -5.017 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.969 0.559 -6.370 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.951 2.383 -5.117 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.293 2.737 -4.573 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.121 1.267 -4.007 1.00 0.00 H new ATOM 498 N LEU A 33 9.584 0.982 -5.796 1.00 0.00 N ATOM 499 CA LEU A 33 8.882 -0.362 -5.742 1.00 0.00 C ATOM 500 C LEU A 33 7.457 -0.105 -6.264 1.00 0.00 C ATOM 501 O LEU A 33 6.820 -0.875 -6.928 1.00 0.00 O ATOM 502 CB LEU A 33 8.809 -0.862 -4.308 1.00 0.00 C ATOM 503 CG LEU A 33 9.765 -2.055 -4.067 1.00 0.00 C ATOM 504 CD1 LEU A 33 9.598 -2.547 -2.633 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.454 -3.183 -5.045 1.00 0.00 C ATOM 0 H LEU A 33 9.736 1.419 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 33 9.411 -1.111 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.062 -0.050 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.787 -1.163 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 33 10.794 -1.733 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.269 -3.388 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.838 -1.740 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.568 -2.866 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.133 -4.017 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.426 -3.515 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.581 -2.824 -6.066 1.00 0.00 H new ATOM 517 N PHE A 34 7.006 1.074 -5.906 1.00 0.00 N ATOM 518 CA PHE A 34 5.636 1.445 -6.407 1.00 0.00 C ATOM 519 C PHE A 34 5.746 1.927 -7.861 1.00 0.00 C ATOM 520 O PHE A 34 4.796 1.861 -8.595 1.00 0.00 O ATOM 521 CB PHE A 34 4.944 2.437 -5.498 1.00 0.00 C ATOM 522 CG PHE A 34 4.657 1.717 -4.185 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.043 0.466 -4.220 1.00 0.00 C ATOM 524 CD2 PHE A 34 4.994 2.276 -2.962 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.761 -0.247 -3.044 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.720 1.577 -1.797 1.00 0.00 C ATOM 527 CZ PHE A 34 4.113 0.331 -1.834 1.00 0.00 C ATOM 0 H PHE A 34 7.488 1.761 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 34 4.996 0.563 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.575 3.310 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.020 2.795 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.778 0.035 -5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.465 3.247 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.285 -1.216 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.984 2.010 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.913 -0.194 -0.912 1.00 0.00 H new ATOM 537 N ASN A 35 6.906 2.384 -8.195 1.00 0.00 N ATOM 538 CA ASN A 35 7.242 2.899 -9.546 1.00 0.00 C ATOM 539 C ASN A 35 7.200 1.705 -10.526 1.00 0.00 C ATOM 540 O ASN A 35 6.657 1.892 -11.591 1.00 0.00 O ATOM 541 CB ASN A 35 8.639 3.518 -9.606 1.00 0.00 C ATOM 542 CG ASN A 35 8.954 4.136 -10.964 1.00 0.00 C ATOM 543 OD1 ASN A 35 8.651 3.629 -12.013 1.00 0.00 O ATOM 544 ND2 ASN A 35 9.596 5.282 -11.010 1.00 0.00 N ATOM 0 H ASN A 35 7.689 2.425 -7.543 1.00 0.00 H new ATOM 0 HA ASN A 35 6.524 3.677 -9.804 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.726 4.283 -8.835 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.381 2.752 -9.380 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.818 5.706 -11.911 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.872 5.747 -10.145 1.00 0.00 H new ATOM 551 N GLN A 36 7.752 0.604 -10.127 1.00 0.00 N ATOM 552 CA GLN A 36 7.805 -0.657 -10.898 1.00 0.00 C ATOM 553 C GLN A 36 6.651 -0.781 -11.923 1.00 0.00 C ATOM 554 O GLN A 36 6.857 -1.245 -13.024 1.00 0.00 O ATOM 555 CB GLN A 36 7.572 -1.795 -9.881 1.00 0.00 C ATOM 556 CG GLN A 36 8.889 -2.296 -9.332 1.00 0.00 C ATOM 557 CD GLN A 36 9.494 -3.321 -10.297 1.00 0.00 C ATOM 558 OE1 GLN A 36 8.917 -3.549 -11.348 1.00 0.00 O ATOM 559 NE2 GLN A 36 10.596 -3.897 -9.943 1.00 0.00 N ATOM 0 H GLN A 36 8.207 0.526 -9.217 1.00 0.00 H new ATOM 0 HA GLN A 36 8.757 -0.693 -11.427 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.944 -1.438 -9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.036 -2.614 -10.360 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.577 -1.462 -9.194 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.737 -2.750 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.030 -3.663 -9.050 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.032 -4.586 -10.557 1.00 0.00 H new ATOM 568 N PHE A 37 5.511 -0.350 -11.471 1.00 0.00 N ATOM 569 CA PHE A 37 4.190 -0.338 -12.214 1.00 0.00 C ATOM 570 C PHE A 37 3.843 0.986 -12.898 1.00 0.00 C ATOM 571 O PHE A 37 4.106 2.083 -12.444 1.00 0.00 O ATOM 572 CB PHE A 37 3.094 -0.623 -11.139 1.00 0.00 C ATOM 573 CG PHE A 37 3.401 -1.990 -10.587 1.00 0.00 C ATOM 574 CD1 PHE A 37 3.043 -3.169 -11.268 1.00 0.00 C ATOM 575 CD2 PHE A 37 4.074 -2.075 -9.356 1.00 0.00 C ATOM 576 CE1 PHE A 37 3.353 -4.434 -10.734 1.00 0.00 C ATOM 577 CE2 PHE A 37 4.379 -3.341 -8.825 1.00 0.00 C ATOM 578 CZ PHE A 37 4.019 -4.519 -9.513 1.00 0.00 C ATOM 0 H PHE A 37 5.424 0.032 -10.529 1.00 0.00 H new ATOM 0 HA PHE A 37 4.252 -1.076 -13.014 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.115 0.130 -10.351 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.098 -0.595 -11.580 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.524 -3.102 -12.213 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.354 -1.178 -8.824 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.077 -5.332 -11.267 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.895 -3.412 -7.879 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.259 -5.485 -9.094 1.00 0.00 H new ATOM 588 N PRO A 38 3.212 0.864 -14.064 1.00 0.00 N ATOM 589 CA PRO A 38 2.774 2.016 -14.910 1.00 0.00 C ATOM 590 C PRO A 38 1.667 2.784 -14.135 1.00 0.00 C ATOM 591 O PRO A 38 1.363 3.926 -14.410 1.00 0.00 O ATOM 592 CB PRO A 38 2.205 1.402 -16.171 1.00 0.00 C ATOM 593 CG PRO A 38 1.829 -0.065 -15.798 1.00 0.00 C ATOM 594 CD PRO A 38 2.838 -0.425 -14.717 1.00 0.00 C ATOM 0 HA PRO A 38 3.582 2.709 -15.145 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.330 1.954 -16.514 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.935 1.425 -16.981 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.805 -0.136 -15.431 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.907 -0.731 -16.658 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.407 -1.118 -13.995 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.713 -0.914 -15.146 1.00 0.00 H new ATOM 602 N GLY A 39 1.105 2.093 -13.174 1.00 0.00 N ATOM 603 CA GLY A 39 0.016 2.589 -12.274 1.00 0.00 C ATOM 604 C GLY A 39 0.648 3.498 -11.214 1.00 0.00 C ATOM 605 O GLY A 39 -0.079 4.172 -10.517 1.00 0.00 O ATOM 0 H GLY A 39 1.381 1.134 -12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.731 3.137 -12.848 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.497 1.752 -11.800 1.00 0.00 H new ATOM 609 N PHE A 40 1.940 3.487 -11.136 1.00 0.00 N ATOM 610 CA PHE A 40 2.730 4.298 -10.178 1.00 0.00 C ATOM 611 C PHE A 40 2.206 5.737 -10.138 1.00 0.00 C ATOM 612 O PHE A 40 2.536 6.492 -11.005 1.00 0.00 O ATOM 613 CB PHE A 40 4.198 4.388 -10.582 1.00 0.00 C ATOM 614 CG PHE A 40 4.882 5.434 -9.726 1.00 0.00 C ATOM 615 CD1 PHE A 40 4.987 5.244 -8.336 1.00 0.00 C ATOM 616 CD2 PHE A 40 5.410 6.584 -10.295 1.00 0.00 C ATOM 617 CE1 PHE A 40 5.615 6.206 -7.537 1.00 0.00 C ATOM 618 CE2 PHE A 40 6.045 7.554 -9.489 1.00 0.00 C ATOM 619 CZ PHE A 40 6.149 7.373 -8.112 1.00 0.00 C ATOM 0 H PHE A 40 2.520 2.907 -11.742 1.00 0.00 H new ATOM 0 HA PHE A 40 2.634 3.804 -9.211 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.684 3.421 -10.454 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.283 4.650 -11.637 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.581 4.351 -7.883 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.335 6.738 -11.361 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.690 6.051 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.454 8.444 -9.944 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.632 8.117 -7.496 1.00 0.00 H new ATOM 629 N LYS A 41 1.417 6.063 -9.143 1.00 0.00 N ATOM 630 CA LYS A 41 0.865 7.438 -9.031 1.00 0.00 C ATOM 631 C LYS A 41 1.409 8.242 -7.855 1.00 0.00 C ATOM 632 O LYS A 41 2.042 9.265 -8.087 1.00 0.00 O ATOM 633 CB LYS A 41 -0.650 7.343 -8.832 1.00 0.00 C ATOM 634 CG LYS A 41 -1.437 8.163 -9.830 1.00 0.00 C ATOM 635 CD LYS A 41 -2.805 8.444 -9.171 1.00 0.00 C ATOM 636 CE LYS A 41 -3.758 8.882 -10.268 1.00 0.00 C ATOM 637 NZ LYS A 41 -5.159 8.708 -9.748 1.00 0.00 N ATOM 0 H LYS A 41 1.133 5.425 -8.400 1.00 0.00 H new ATOM 0 HA LYS A 41 1.155 7.949 -9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.955 6.299 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.899 7.674 -7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.919 9.093 -10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.560 7.622 -10.768 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.180 7.551 -8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.712 9.220 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.577 9.922 -10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.606 8.286 -11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.839 9.000 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.318 7.709 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.289 9.294 -8.899 1.00 0.00 H new ATOM 651 N GLU A 42 1.188 7.824 -6.649 1.00 0.00 N ATOM 652 CA GLU A 42 1.683 8.583 -5.496 1.00 0.00 C ATOM 653 C GLU A 42 2.277 7.585 -4.485 1.00 0.00 C ATOM 654 O GLU A 42 1.863 6.442 -4.390 1.00 0.00 O ATOM 655 CB GLU A 42 0.595 9.456 -4.866 1.00 0.00 C ATOM 656 CG GLU A 42 0.894 10.943 -5.085 1.00 0.00 C ATOM 657 CD GLU A 42 1.817 11.381 -3.937 1.00 0.00 C ATOM 658 OE1 GLU A 42 3.023 11.245 -4.028 1.00 0.00 O ATOM 659 OE2 GLU A 42 1.282 11.876 -2.946 1.00 0.00 O ATOM 0 H GLU A 42 0.676 6.973 -6.416 1.00 0.00 H new ATOM 0 HA GLU A 42 2.456 9.278 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.373 9.208 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.528 9.247 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.374 11.103 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.026 11.527 -5.086 1.00 0.00 H new ATOM 666 N VAL A 43 3.235 8.084 -3.766 1.00 0.00 N ATOM 667 CA VAL A 43 3.994 7.356 -2.742 1.00 0.00 C ATOM 668 C VAL A 43 4.320 8.356 -1.617 1.00 0.00 C ATOM 669 O VAL A 43 5.003 9.337 -1.799 1.00 0.00 O ATOM 670 CB VAL A 43 5.254 6.770 -3.348 1.00 0.00 C ATOM 671 CG1 VAL A 43 4.821 5.572 -4.215 1.00 0.00 C ATOM 672 CG2 VAL A 43 5.957 7.838 -4.189 1.00 0.00 C ATOM 0 H VAL A 43 3.539 9.053 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 43 3.417 6.523 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 43 5.956 6.440 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.700 5.118 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.315 4.835 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.141 5.914 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.863 7.419 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.291 8.171 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.218 8.686 -3.556 1.00 0.00 H new ATOM 682 N ARG A 44 3.740 8.030 -0.504 1.00 0.00 N ATOM 683 CA ARG A 44 3.777 8.837 0.733 1.00 0.00 C ATOM 684 C ARG A 44 4.420 8.037 1.850 1.00 0.00 C ATOM 685 O ARG A 44 3.826 7.240 2.532 1.00 0.00 O ATOM 686 CB ARG A 44 2.342 9.225 1.155 1.00 0.00 C ATOM 687 CG ARG A 44 2.350 10.553 1.923 1.00 0.00 C ATOM 688 CD ARG A 44 3.140 10.406 3.220 1.00 0.00 C ATOM 689 NE ARG A 44 4.576 10.658 2.897 1.00 0.00 N ATOM 690 CZ ARG A 44 4.970 11.799 2.436 1.00 0.00 C ATOM 691 NH1 ARG A 44 4.778 12.896 3.110 1.00 0.00 N ATOM 692 NH2 ARG A 44 5.567 11.887 1.293 1.00 0.00 N ATOM 0 H ARG A 44 3.202 7.169 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 44 4.358 9.739 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.708 9.312 0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.915 8.440 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.792 11.336 1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.328 10.860 2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.785 11.114 3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.010 9.408 3.638 1.00 0.00 H new ATOM 0 HE ARG A 44 5.259 9.915 3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.311 12.863 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.095 13.789 2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.734 11.047 0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.871 12.796 0.945 1.00 0.00 H new ATOM 706 N LEU A 45 5.697 8.322 2.008 1.00 0.00 N ATOM 707 CA LEU A 45 6.533 7.707 3.056 1.00 0.00 C ATOM 708 C LEU A 45 7.268 8.840 3.811 1.00 0.00 C ATOM 709 O LEU A 45 8.343 9.205 3.414 1.00 0.00 O ATOM 710 CB LEU A 45 7.574 6.788 2.379 1.00 0.00 C ATOM 711 CG LEU A 45 7.910 5.553 3.231 1.00 0.00 C ATOM 712 CD1 LEU A 45 6.918 4.437 2.864 1.00 0.00 C ATOM 713 CD2 LEU A 45 9.325 5.106 2.884 1.00 0.00 C ATOM 0 H LEU A 45 6.199 8.987 1.419 1.00 0.00 H new ATOM 0 HA LEU A 45 5.923 7.126 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.193 6.465 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.486 7.354 2.190 1.00 0.00 H new ATOM 0 HG LEU A 45 7.842 5.778 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.135 3.548 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.901 4.771 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.013 4.200 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.586 4.230 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.378 4.856 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.025 5.913 3.102 1.00 0.00 H new ATOM 725 N VAL A 46 6.608 9.295 4.831 1.00 0.00 N ATOM 726 CA VAL A 46 7.052 10.406 5.725 1.00 0.00 C ATOM 727 C VAL A 46 8.457 10.171 6.265 1.00 0.00 C ATOM 728 O VAL A 46 8.611 9.395 7.170 1.00 0.00 O ATOM 729 CB VAL A 46 5.982 10.611 6.845 1.00 0.00 C ATOM 730 CG1 VAL A 46 6.625 11.404 7.980 1.00 0.00 C ATOM 731 CG2 VAL A 46 4.844 11.440 6.257 1.00 0.00 C ATOM 0 H VAL A 46 5.704 8.910 5.104 1.00 0.00 H new ATOM 0 HA VAL A 46 7.124 11.332 5.154 1.00 0.00 H new ATOM 0 HB VAL A 46 5.612 9.654 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.895 11.559 8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.477 10.850 8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.962 12.370 7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.080 11.600 7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.230 12.403 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.408 10.910 5.410 1.00 0.00 H new ATOM 741 N PRO A 47 9.433 10.823 5.717 1.00 0.00 N ATOM 742 CA PRO A 47 10.839 10.665 6.166 1.00 0.00 C ATOM 743 C PRO A 47 11.004 10.708 7.670 1.00 0.00 C ATOM 744 O PRO A 47 11.921 10.058 8.163 1.00 0.00 O ATOM 745 CB PRO A 47 11.479 11.852 5.422 1.00 0.00 C ATOM 746 CG PRO A 47 10.672 11.800 4.084 1.00 0.00 C ATOM 747 CD PRO A 47 9.236 11.784 4.595 1.00 0.00 C ATOM 0 HA PRO A 47 11.290 9.698 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.348 12.796 5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.550 11.719 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.872 12.664 3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.908 10.913 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.891 12.763 4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.522 11.430 3.851 1.00 0.00 H new ATOM 755 N GLY A 48 10.179 11.414 8.419 1.00 0.00 N ATOM 756 CA GLY A 48 10.444 11.343 9.897 1.00 0.00 C ATOM 757 C GLY A 48 10.202 9.860 10.269 1.00 0.00 C ATOM 758 O GLY A 48 10.860 9.271 11.084 1.00 0.00 O ATOM 0 H GLY A 48 9.398 11.990 8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.464 11.649 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.778 12.004 10.451 1.00 0.00 H new ATOM 762 N ARG A 49 9.214 9.318 9.594 1.00 0.00 N ATOM 763 CA ARG A 49 8.808 7.914 9.758 1.00 0.00 C ATOM 764 C ARG A 49 9.577 6.941 8.841 1.00 0.00 C ATOM 765 O ARG A 49 10.388 6.233 9.367 1.00 0.00 O ATOM 766 CB ARG A 49 7.314 7.794 9.364 1.00 0.00 C ATOM 767 CG ARG A 49 6.490 8.597 10.350 1.00 0.00 C ATOM 768 CD ARG A 49 5.512 7.600 11.015 1.00 0.00 C ATOM 769 NE ARG A 49 6.303 6.841 12.028 1.00 0.00 N ATOM 770 CZ ARG A 49 6.177 7.013 13.302 1.00 0.00 C ATOM 771 NH1 ARG A 49 5.034 6.827 13.912 1.00 0.00 N ATOM 772 NH2 ARG A 49 7.185 7.374 14.033 1.00 0.00 N ATOM 0 H ARG A 49 8.658 9.829 8.909 1.00 0.00 H new ATOM 0 HA ARG A 49 9.013 7.648 10.795 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.159 8.164 8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.003 6.749 9.373 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.129 9.070 11.096 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.947 9.395 9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.682 8.127 11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.082 6.926 10.274 1.00 0.00 H new ATOM 0 HE ARG A 49 6.978 6.151 11.697 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.213 6.539 13.380 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.964 6.970 14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.097 7.527 13.604 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.066 7.505 15.038 1.00 0.00 H new ATOM 786 N HIS A 50 9.227 6.970 7.577 1.00 0.00 N ATOM 787 CA HIS A 50 9.775 6.015 6.515 1.00 0.00 C ATOM 788 C HIS A 50 9.074 4.662 6.854 1.00 0.00 C ATOM 789 O HIS A 50 9.416 3.617 6.374 1.00 0.00 O ATOM 790 CB HIS A 50 11.256 5.686 6.639 1.00 0.00 C ATOM 791 CG HIS A 50 12.175 6.783 6.175 1.00 0.00 C ATOM 792 ND1 HIS A 50 12.101 7.651 5.131 1.00 0.00 N flip ATOM 793 CD2 HIS A 50 13.373 7.097 6.823 1.00 0.00 C flip ATOM 794 CE1 HIS A 50 13.221 8.464 5.151 1.00 0.00 C flip ATOM 795 NE2 HIS A 50 13.988 8.121 6.185 1.00 0.00 N flip ATOM 0 H HIS A 50 8.554 7.641 7.207 1.00 0.00 H new ATOM 0 HA HIS A 50 9.612 6.467 5.537 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.479 5.457 7.681 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.465 4.785 6.063 1.00 0.00 H new ATOM 0 HD2 HIS A 50 13.752 6.597 7.702 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.438 9.250 4.443 1.00 0.00 H new ATOM 0 HE2 HIS A 50 14.875 8.551 6.448 1.00 0.00 H new ATOM 804 N ASP A 51 8.097 4.739 7.740 1.00 0.00 N ATOM 805 CA ASP A 51 7.358 3.573 8.276 1.00 0.00 C ATOM 806 C ASP A 51 5.859 3.552 8.022 1.00 0.00 C ATOM 807 O ASP A 51 5.250 2.524 8.190 1.00 0.00 O ATOM 808 CB ASP A 51 7.584 3.569 9.804 1.00 0.00 C ATOM 809 CG ASP A 51 6.677 2.573 10.509 1.00 0.00 C ATOM 810 OD1 ASP A 51 7.013 1.423 10.670 1.00 0.00 O ATOM 811 OD2 ASP A 51 5.601 3.017 10.891 1.00 0.00 O ATOM 0 H ASP A 51 7.776 5.627 8.126 1.00 0.00 H new ATOM 0 HA ASP A 51 7.744 2.698 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.625 3.325 10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.403 4.568 10.200 1.00 0.00 H new ATOM 816 N ILE A 52 5.242 4.635 7.582 1.00 0.00 N ATOM 817 CA ILE A 52 3.816 4.752 7.268 1.00 0.00 C ATOM 818 C ILE A 52 3.760 5.031 5.746 1.00 0.00 C ATOM 819 O ILE A 52 4.206 6.042 5.273 1.00 0.00 O ATOM 820 CB ILE A 52 3.065 5.826 8.021 1.00 0.00 C ATOM 821 CG1 ILE A 52 3.662 7.218 7.828 1.00 0.00 C ATOM 822 CG2 ILE A 52 3.082 5.421 9.513 1.00 0.00 C ATOM 823 CD1 ILE A 52 2.736 8.115 7.004 1.00 0.00 C ATOM 0 H ILE A 52 5.745 5.508 7.423 1.00 0.00 H new ATOM 0 HA ILE A 52 3.317 3.833 7.575 1.00 0.00 H new ATOM 0 HB ILE A 52 2.048 5.895 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.843 7.676 8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.628 7.135 7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.549 6.170 10.099 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.596 4.453 9.633 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.113 5.355 9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.192 9.098 6.886 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.576 7.669 6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.779 8.218 7.516 1.00 0.00 H new ATOM 835 N ALA A 53 3.225 4.062 5.022 1.00 0.00 N ATOM 836 CA ALA A 53 3.189 4.108 3.563 1.00 0.00 C ATOM 837 C ALA A 53 1.755 4.271 3.028 1.00 0.00 C ATOM 838 O ALA A 53 0.881 3.437 3.291 1.00 0.00 O ATOM 839 CB ALA A 53 3.805 2.804 3.015 1.00 0.00 C ATOM 0 H ALA A 53 2.804 3.224 5.423 1.00 0.00 H new ATOM 0 HA ALA A 53 3.760 4.975 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.786 2.822 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.836 2.716 3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.229 1.951 3.374 1.00 0.00 H new ATOM 845 N PHE A 54 1.621 5.346 2.327 1.00 0.00 N ATOM 846 CA PHE A 54 0.372 5.739 1.576 1.00 0.00 C ATOM 847 C PHE A 54 0.712 5.767 0.062 1.00 0.00 C ATOM 848 O PHE A 54 1.346 6.655 -0.460 1.00 0.00 O ATOM 849 CB PHE A 54 -0.028 7.144 1.978 1.00 0.00 C ATOM 850 CG PHE A 54 -1.508 7.289 2.332 1.00 0.00 C ATOM 851 CD1 PHE A 54 -2.514 6.655 1.606 1.00 0.00 C ATOM 852 CD2 PHE A 54 -1.808 8.102 3.438 1.00 0.00 C ATOM 853 CE1 PHE A 54 -3.835 6.849 2.003 1.00 0.00 C ATOM 854 CE2 PHE A 54 -3.142 8.293 3.837 1.00 0.00 C ATOM 855 CZ PHE A 54 -4.142 7.650 3.094 1.00 0.00 C ATOM 0 H PHE A 54 2.373 6.028 2.228 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.432 5.036 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.572 7.451 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.209 7.826 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.276 6.030 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.010 8.582 3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.632 6.369 1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.388 8.913 4.686 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.176 7.781 3.377 1.00 0.00 H new ATOM 865 N VAL A 55 0.268 4.683 -0.583 1.00 0.00 N ATOM 866 CA VAL A 55 0.537 4.388 -1.992 1.00 0.00 C ATOM 867 C VAL A 55 -0.689 4.382 -2.890 1.00 0.00 C ATOM 868 O VAL A 55 -1.574 3.559 -2.956 1.00 0.00 O ATOM 869 CB VAL A 55 1.106 2.939 -2.038 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.388 2.491 -3.447 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.345 2.922 -1.141 1.00 0.00 C ATOM 0 H VAL A 55 -0.302 3.970 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 55 1.204 5.170 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 55 0.375 2.220 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.783 1.475 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.466 2.514 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.119 3.159 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.781 1.923 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.077 3.637 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.062 3.194 -0.124 1.00 0.00 H new ATOM 881 N GLU A 56 -0.684 5.416 -3.687 1.00 0.00 N ATOM 882 CA GLU A 56 -1.700 5.765 -4.707 1.00 0.00 C ATOM 883 C GLU A 56 -1.301 5.192 -6.089 1.00 0.00 C ATOM 884 O GLU A 56 -0.424 5.631 -6.771 1.00 0.00 O ATOM 885 CB GLU A 56 -1.739 7.295 -4.902 1.00 0.00 C ATOM 886 CG GLU A 56 -3.126 7.891 -4.590 1.00 0.00 C ATOM 887 CD GLU A 56 -3.231 9.331 -5.120 1.00 0.00 C ATOM 888 OE1 GLU A 56 -3.615 9.526 -6.249 1.00 0.00 O ATOM 889 OE2 GLU A 56 -2.910 10.246 -4.360 1.00 0.00 O ATOM 0 H GLU A 56 0.073 6.099 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.654 5.364 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.993 7.760 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.466 7.535 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.902 7.274 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.298 7.881 -3.514 1.00 0.00 H new ATOM 896 N PHE A 57 -1.970 4.133 -6.421 1.00 0.00 N ATOM 897 CA PHE A 57 -1.735 3.321 -7.646 1.00 0.00 C ATOM 898 C PHE A 57 -2.886 3.485 -8.667 1.00 0.00 C ATOM 899 O PHE A 57 -3.907 2.902 -8.452 1.00 0.00 O ATOM 900 CB PHE A 57 -1.786 1.838 -7.232 1.00 0.00 C ATOM 901 CG PHE A 57 -0.367 1.312 -7.074 1.00 0.00 C ATOM 902 CD1 PHE A 57 0.437 1.426 -8.227 1.00 0.00 C ATOM 903 CD2 PHE A 57 0.108 0.764 -5.888 1.00 0.00 C ATOM 904 CE1 PHE A 57 1.746 0.956 -8.130 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.436 0.299 -5.825 1.00 0.00 C ATOM 906 CZ PHE A 57 2.247 0.401 -6.963 1.00 0.00 C ATOM 0 H PHE A 57 -2.730 3.769 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.788 3.636 -8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.333 1.728 -6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.320 1.257 -7.984 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.057 1.857 -9.141 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.535 0.695 -5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.391 1.027 -8.993 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.824 -0.130 -4.913 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.266 0.046 -6.931 1.00 0.00 H new ATOM 916 N ASP A 58 -2.595 4.277 -9.634 1.00 0.00 N ATOM 917 CA ASP A 58 -3.525 4.643 -10.748 1.00 0.00 C ATOM 918 C ASP A 58 -4.792 3.818 -10.743 1.00 0.00 C ATOM 919 O ASP A 58 -5.870 4.345 -10.669 1.00 0.00 O ATOM 920 CB ASP A 58 -2.769 4.526 -12.091 1.00 0.00 C ATOM 921 CG ASP A 58 -3.634 5.064 -13.243 1.00 0.00 C ATOM 922 OD1 ASP A 58 -4.111 6.172 -13.157 1.00 0.00 O ATOM 923 OD2 ASP A 58 -3.769 4.295 -14.184 1.00 0.00 O ATOM 0 H ASP A 58 -1.683 4.727 -9.715 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.849 5.674 -10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.834 5.084 -12.039 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.509 3.484 -12.279 1.00 0.00 H new ATOM 928 N ASN A 59 -4.626 2.522 -10.810 1.00 0.00 N ATOM 929 CA ASN A 59 -5.851 1.677 -10.785 1.00 0.00 C ATOM 930 C ASN A 59 -5.477 0.404 -9.990 1.00 0.00 C ATOM 931 O ASN A 59 -4.338 0.051 -9.860 1.00 0.00 O ATOM 932 CB ASN A 59 -6.355 1.357 -12.179 1.00 0.00 C ATOM 933 CG ASN A 59 -5.884 -0.010 -12.681 1.00 0.00 C ATOM 934 OD1 ASN A 59 -4.769 -0.446 -12.536 1.00 0.00 O ATOM 935 ND2 ASN A 59 -6.775 -0.744 -13.310 1.00 0.00 N ATOM 0 H ASN A 59 -3.735 2.031 -10.878 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.678 2.203 -10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.445 1.384 -12.181 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.015 2.129 -12.869 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.518 -1.665 -13.665 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.723 -0.393 -13.443 1.00 0.00 H new ATOM 942 N GLU A 60 -6.495 -0.225 -9.497 1.00 0.00 N ATOM 943 CA GLU A 60 -6.389 -1.503 -8.688 1.00 0.00 C ATOM 944 C GLU A 60 -5.693 -2.656 -9.431 1.00 0.00 C ATOM 945 O GLU A 60 -5.207 -3.590 -8.853 1.00 0.00 O ATOM 946 CB GLU A 60 -7.727 -1.894 -8.090 1.00 0.00 C ATOM 947 CG GLU A 60 -8.828 -2.044 -9.138 1.00 0.00 C ATOM 948 CD GLU A 60 -8.486 -3.089 -10.186 1.00 0.00 C ATOM 949 OE1 GLU A 60 -8.443 -4.255 -9.801 1.00 0.00 O ATOM 950 OE2 GLU A 60 -8.276 -2.712 -11.340 1.00 0.00 O ATOM 0 H GLU A 60 -7.455 0.098 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.721 -1.283 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.617 -2.834 -7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.027 -1.141 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.761 -2.318 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.995 -1.084 -9.626 1.00 0.00 H new ATOM 957 N VAL A 61 -5.590 -2.667 -10.743 1.00 0.00 N ATOM 958 CA VAL A 61 -4.872 -3.775 -11.467 1.00 0.00 C ATOM 959 C VAL A 61 -3.371 -3.586 -11.098 1.00 0.00 C ATOM 960 O VAL A 61 -2.638 -4.475 -10.735 1.00 0.00 O ATOM 961 CB VAL A 61 -4.981 -3.649 -12.982 1.00 0.00 C ATOM 962 CG1 VAL A 61 -3.856 -4.443 -13.669 1.00 0.00 C ATOM 963 CG2 VAL A 61 -6.309 -4.180 -13.526 1.00 0.00 C ATOM 0 H VAL A 61 -5.978 -1.946 -11.352 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.298 -4.738 -11.184 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.907 -2.583 -13.198 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.948 -4.343 -14.750 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.889 -4.054 -13.350 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.933 -5.495 -13.394 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.330 -4.065 -14.610 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.411 -5.235 -13.271 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.133 -3.619 -13.085 1.00 0.00 H new ATOM 973 N GLN A 62 -2.978 -2.331 -11.200 1.00 0.00 N ATOM 974 CA GLN A 62 -1.575 -2.009 -10.829 1.00 0.00 C ATOM 975 C GLN A 62 -1.425 -1.895 -9.301 1.00 0.00 C ATOM 976 O GLN A 62 -0.362 -2.150 -8.749 1.00 0.00 O ATOM 977 CB GLN A 62 -0.984 -0.761 -11.517 1.00 0.00 C ATOM 978 CG GLN A 62 -1.428 -0.613 -12.978 1.00 0.00 C ATOM 979 CD GLN A 62 -2.157 0.716 -13.203 1.00 0.00 C ATOM 980 OE1 GLN A 62 -2.701 1.245 -12.258 1.00 0.00 O ATOM 981 NE2 GLN A 62 -2.176 1.238 -14.389 1.00 0.00 N ATOM 0 H GLN A 62 -3.552 -1.548 -11.513 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.991 -2.849 -11.204 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.281 0.128 -10.961 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.104 -0.813 -11.477 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.558 -0.669 -13.633 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.084 -1.441 -13.247 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.707 0.765 -15.162 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.660 2.122 -14.550 1.00 0.00 H new ATOM 990 N ALA A 63 -2.424 -1.524 -8.589 1.00 0.00 N ATOM 991 CA ALA A 63 -2.317 -1.388 -7.104 1.00 0.00 C ATOM 992 C ALA A 63 -2.229 -2.841 -6.599 1.00 0.00 C ATOM 993 O ALA A 63 -1.484 -3.140 -5.701 1.00 0.00 O ATOM 994 CB ALA A 63 -3.596 -0.790 -6.542 1.00 0.00 C ATOM 0 H ALA A 63 -3.343 -1.299 -8.969 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.476 -0.759 -6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.508 -0.695 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.761 0.194 -6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.438 -1.440 -6.782 1.00 0.00 H new ATOM 1000 N GLY A 64 -3.023 -3.642 -7.247 1.00 0.00 N ATOM 1001 CA GLY A 64 -3.137 -5.115 -6.956 1.00 0.00 C ATOM 1002 C GLY A 64 -1.880 -5.775 -7.462 1.00 0.00 C ATOM 1003 O GLY A 64 -1.363 -6.759 -6.933 1.00 0.00 O ATOM 0 H GLY A 64 -3.630 -3.329 -8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.256 -5.286 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.015 -5.536 -7.446 1.00 0.00 H new ATOM 1007 N ALA A 65 -1.294 -5.285 -8.527 1.00 0.00 N ATOM 1008 CA ALA A 65 -0.040 -5.908 -9.055 1.00 0.00 C ATOM 1009 C ALA A 65 1.051 -5.631 -8.007 1.00 0.00 C ATOM 1010 O ALA A 65 1.709 -6.495 -7.483 1.00 0.00 O ATOM 1011 CB ALA A 65 0.392 -5.308 -10.378 1.00 0.00 C ATOM 0 H ALA A 65 -1.630 -4.479 -9.054 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.208 -6.971 -9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.306 -5.795 -10.717 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.394 -5.456 -11.119 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.575 -4.241 -10.251 1.00 0.00 H new ATOM 1017 N ALA A 66 1.272 -4.370 -7.658 1.00 0.00 N ATOM 1018 CA ALA A 66 2.301 -3.981 -6.640 1.00 0.00 C ATOM 1019 C ALA A 66 1.948 -4.594 -5.307 1.00 0.00 C ATOM 1020 O ALA A 66 2.765 -5.184 -4.630 1.00 0.00 O ATOM 1021 CB ALA A 66 2.231 -2.458 -6.468 1.00 0.00 C ATOM 0 H ALA A 66 0.762 -3.580 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 66 3.287 -4.315 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.969 -2.141 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.439 -1.974 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.235 -2.176 -6.128 1.00 0.00 H new ATOM 1027 N ARG A 67 0.725 -4.493 -4.866 1.00 0.00 N ATOM 1028 CA ARG A 67 0.290 -5.066 -3.568 1.00 0.00 C ATOM 1029 C ARG A 67 0.469 -6.586 -3.624 1.00 0.00 C ATOM 1030 O ARG A 67 1.082 -7.168 -2.778 1.00 0.00 O ATOM 1031 CB ARG A 67 -1.190 -4.771 -3.263 1.00 0.00 C ATOM 1032 CG ARG A 67 -1.423 -4.996 -1.763 1.00 0.00 C ATOM 1033 CD ARG A 67 -1.731 -6.449 -1.430 1.00 0.00 C ATOM 1034 NE ARG A 67 -3.179 -6.590 -1.051 1.00 0.00 N ATOM 1035 CZ ARG A 67 -3.520 -7.193 0.059 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -3.399 -6.555 1.191 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -3.972 -8.415 -0.025 1.00 0.00 N ATOM 0 H ARG A 67 -0.018 -4.016 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 67 0.896 -4.610 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.438 -3.745 -3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.837 -5.423 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.538 -4.680 -1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.249 -4.368 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.507 -7.083 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.097 -6.786 -0.610 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.901 -6.213 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.043 -5.599 1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.661 -7.012 2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.050 -8.869 -0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.247 -8.916 0.820 1.00 0.00 H new ATOM 1051 N ASP A 68 -0.052 -7.256 -4.612 1.00 0.00 N ATOM 1052 CA ASP A 68 0.077 -8.743 -4.746 1.00 0.00 C ATOM 1053 C ASP A 68 1.552 -9.164 -4.928 1.00 0.00 C ATOM 1054 O ASP A 68 1.936 -10.270 -4.581 1.00 0.00 O ATOM 1055 CB ASP A 68 -0.822 -9.296 -5.884 1.00 0.00 C ATOM 1056 CG ASP A 68 -0.733 -10.815 -5.906 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -1.507 -11.445 -5.206 1.00 0.00 O ATOM 1058 OD2 ASP A 68 0.086 -11.360 -6.604 1.00 0.00 O ATOM 0 H ASP A 68 -0.584 -6.820 -5.365 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.277 -9.187 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.855 -8.983 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.505 -8.888 -6.844 1.00 0.00 H new ATOM 1063 N ALA A 69 2.352 -8.276 -5.471 1.00 0.00 N ATOM 1064 CA ALA A 69 3.804 -8.539 -5.711 1.00 0.00 C ATOM 1065 C ALA A 69 4.514 -8.503 -4.347 1.00 0.00 C ATOM 1066 O ALA A 69 5.307 -9.340 -3.993 1.00 0.00 O ATOM 1067 CB ALA A 69 4.416 -7.442 -6.560 1.00 0.00 C ATOM 0 H ALA A 69 2.045 -7.349 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 69 3.914 -9.498 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.473 -7.654 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.904 -7.397 -7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.312 -6.485 -6.048 1.00 0.00 H new ATOM 1073 N LEU A 70 4.182 -7.476 -3.595 1.00 0.00 N ATOM 1074 CA LEU A 70 4.792 -7.296 -2.226 1.00 0.00 C ATOM 1075 C LEU A 70 3.615 -7.140 -1.232 1.00 0.00 C ATOM 1076 O LEU A 70 3.459 -6.130 -0.556 1.00 0.00 O ATOM 1077 CB LEU A 70 5.751 -6.114 -2.166 1.00 0.00 C ATOM 1078 CG LEU A 70 5.022 -4.840 -2.591 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.268 -3.672 -1.641 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.514 -4.524 -4.009 1.00 0.00 C ATOM 0 H LEU A 70 3.516 -6.753 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 70 5.403 -8.161 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.142 -6.001 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.605 -6.292 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 70 3.943 -4.995 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.725 -2.795 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.921 -3.936 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.334 -3.449 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.026 -3.619 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.593 -4.373 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.273 -5.355 -4.672 1.00 0.00 H new ATOM 1092 N GLN A 71 2.777 -8.150 -1.143 1.00 0.00 N ATOM 1093 CA GLN A 71 1.608 -8.056 -0.194 1.00 0.00 C ATOM 1094 C GLN A 71 2.011 -8.194 1.266 1.00 0.00 C ATOM 1095 O GLN A 71 1.166 -8.001 2.123 1.00 0.00 O ATOM 1096 CB GLN A 71 0.665 -9.216 -0.532 1.00 0.00 C ATOM 1097 CG GLN A 71 -0.605 -9.158 0.296 1.00 0.00 C ATOM 1098 CD GLN A 71 -0.490 -10.225 1.401 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -0.731 -9.922 2.558 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -0.144 -11.441 1.144 1.00 0.00 N ATOM 0 H GLN A 71 2.845 -9.019 -1.672 1.00 0.00 H new ATOM 0 HA GLN A 71 1.150 -7.074 -0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.412 -9.184 -1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.174 -10.164 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.733 -8.167 0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.478 -9.346 -0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.063 -11.721 0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.077 -12.123 1.900 1.00 0.00 H new ATOM 1109 N GLY A 72 3.237 -8.511 1.513 1.00 0.00 N ATOM 1110 CA GLY A 72 3.643 -8.648 2.936 1.00 0.00 C ATOM 1111 C GLY A 72 5.180 -8.690 2.959 1.00 0.00 C ATOM 1112 O GLY A 72 5.716 -9.613 3.513 1.00 0.00 O ATOM 0 H GLY A 72 3.964 -8.679 0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.271 -7.811 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.225 -9.556 3.371 1.00 0.00 H new ATOM 1116 N PHE A 73 5.758 -7.704 2.362 1.00 0.00 N ATOM 1117 CA PHE A 73 7.248 -7.566 2.277 1.00 0.00 C ATOM 1118 C PHE A 73 7.871 -7.845 3.641 1.00 0.00 C ATOM 1119 O PHE A 73 7.955 -6.935 4.435 1.00 0.00 O ATOM 1120 CB PHE A 73 7.594 -6.168 1.764 1.00 0.00 C ATOM 1121 CG PHE A 73 9.072 -5.908 1.950 1.00 0.00 C ATOM 1122 CD1 PHE A 73 10.016 -6.923 1.772 1.00 0.00 C ATOM 1123 CD2 PHE A 73 9.456 -4.602 2.310 1.00 0.00 C ATOM 1124 CE1 PHE A 73 11.367 -6.584 1.968 1.00 0.00 C ATOM 1125 CE2 PHE A 73 10.819 -4.299 2.498 1.00 0.00 C ATOM 1126 CZ PHE A 73 11.762 -5.302 2.322 1.00 0.00 C ATOM 0 H PHE A 73 5.247 -6.948 1.905 1.00 0.00 H new ATOM 0 HA PHE A 73 7.657 -8.294 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.329 -6.081 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.013 -5.419 2.301 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.721 -7.925 1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.708 -3.835 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.121 -7.346 1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.125 -3.301 2.775 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.810 -5.083 2.462 1.00 0.00 H new ATOM 1136 N LYS A 74 8.270 -9.063 3.844 1.00 0.00 N ATOM 1137 CA LYS A 74 8.907 -9.505 5.133 1.00 0.00 C ATOM 1138 C LYS A 74 10.213 -8.720 5.254 1.00 0.00 C ATOM 1139 O LYS A 74 11.268 -9.246 4.967 1.00 0.00 O ATOM 1140 CB LYS A 74 9.243 -10.993 5.108 1.00 0.00 C ATOM 1141 CG LYS A 74 9.727 -11.425 3.722 1.00 0.00 C ATOM 1142 CD LYS A 74 10.716 -12.574 3.853 1.00 0.00 C ATOM 1143 CE LYS A 74 9.883 -13.862 3.985 1.00 0.00 C ATOM 1144 NZ LYS A 74 10.692 -15.050 3.631 1.00 0.00 N ATOM 0 H LYS A 74 8.182 -9.806 3.150 1.00 0.00 H new ATOM 0 HA LYS A 74 8.225 -9.329 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.013 -11.208 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.363 -11.573 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.879 -11.732 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.199 -10.584 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.369 -12.623 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.356 -12.436 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.514 -13.959 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.010 -13.804 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.111 -15.907 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.023 -14.964 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.511 -15.114 4.268 1.00 0.00 H new ATOM 1158 N ILE A 75 10.113 -7.493 5.673 1.00 0.00 N ATOM 1159 CA ILE A 75 11.296 -6.602 5.842 1.00 0.00 C ATOM 1160 C ILE A 75 12.380 -7.309 6.642 1.00 0.00 C ATOM 1161 O ILE A 75 13.542 -7.055 6.455 1.00 0.00 O ATOM 1162 CB ILE A 75 10.814 -5.368 6.629 1.00 0.00 C ATOM 1163 CG1 ILE A 75 10.278 -4.277 5.703 1.00 0.00 C ATOM 1164 CG2 ILE A 75 11.987 -4.840 7.432 1.00 0.00 C ATOM 1165 CD1 ILE A 75 8.955 -3.797 6.276 1.00 0.00 C ATOM 0 H ILE A 75 9.225 -7.053 5.915 1.00 0.00 H new ATOM 0 HA ILE A 75 11.710 -6.327 4.872 1.00 0.00 H new ATOM 0 HB ILE A 75 9.993 -5.660 7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.987 -3.452 5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.140 -4.665 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.674 -3.964 8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.335 -5.612 8.118 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.796 -4.564 6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.544 -3.015 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.255 -4.631 6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.115 -3.399 7.278 1.00 0.00 H new ATOM 1177 N THR A 76 11.960 -8.177 7.511 1.00 0.00 N ATOM 1178 CA THR A 76 12.964 -8.920 8.345 1.00 0.00 C ATOM 1179 C THR A 76 12.710 -10.445 8.289 1.00 0.00 C ATOM 1180 O THR A 76 13.640 -11.187 8.119 1.00 0.00 O ATOM 1181 CB THR A 76 12.882 -8.462 9.805 1.00 0.00 C ATOM 1182 OG1 THR A 76 12.848 -7.050 9.868 1.00 0.00 O ATOM 1183 CG2 THR A 76 14.103 -8.982 10.575 1.00 0.00 C ATOM 0 H THR A 76 10.982 -8.409 7.686 1.00 0.00 H new ATOM 0 HA THR A 76 13.954 -8.705 7.942 1.00 0.00 H new ATOM 0 HB THR A 76 11.972 -8.860 10.253 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.794 -6.766 10.804 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.044 -8.656 11.613 1.00 0.00 H new ATOM 0 HG22 THR A 76 14.120 -10.071 10.537 1.00 0.00 H new ATOM 0 HG23 THR A 76 15.013 -8.589 10.122 1.00 0.00 H new ATOM 1191 N GLN A 77 11.471 -10.772 8.440 1.00 0.00 N ATOM 1192 CA GLN A 77 10.979 -12.193 8.437 1.00 0.00 C ATOM 1193 C GLN A 77 9.760 -12.214 9.392 1.00 0.00 C ATOM 1194 O GLN A 77 8.725 -12.797 9.088 1.00 0.00 O ATOM 1195 CB GLN A 77 12.052 -13.161 8.909 1.00 0.00 C ATOM 1196 CG GLN A 77 11.369 -14.457 9.377 1.00 0.00 C ATOM 1197 CD GLN A 77 12.190 -15.655 8.938 1.00 0.00 C ATOM 1198 OE1 GLN A 77 12.511 -16.516 9.746 1.00 0.00 O ATOM 1199 NE2 GLN A 77 12.572 -15.791 7.697 1.00 0.00 N ATOM 0 H GLN A 77 10.729 -10.085 8.574 1.00 0.00 H new ATOM 0 HA GLN A 77 10.712 -12.512 7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.753 -13.373 8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.627 -12.721 9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.265 -14.453 10.462 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.364 -14.521 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.317 -15.087 7.005 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.125 -16.602 7.420 1.00 0.00 H new ATOM 1208 N ASN A 78 9.943 -11.573 10.501 1.00 0.00 N ATOM 1209 CA ASN A 78 8.905 -11.459 11.576 1.00 0.00 C ATOM 1210 C ASN A 78 8.216 -10.090 11.354 1.00 0.00 C ATOM 1211 O ASN A 78 7.086 -9.885 11.723 1.00 0.00 O ATOM 1212 CB ASN A 78 9.590 -11.532 12.931 1.00 0.00 C ATOM 1213 CG ASN A 78 9.597 -10.141 13.546 1.00 0.00 C ATOM 1214 OD1 ASN A 78 8.677 -9.774 14.243 1.00 0.00 O ATOM 1215 ND2 ASN A 78 10.592 -9.341 13.326 1.00 0.00 N ATOM 0 H ASN A 78 10.815 -11.094 10.727 1.00 0.00 H new ATOM 0 HA ASN A 78 8.168 -12.261 11.544 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.066 -12.231 13.583 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.609 -11.902 12.820 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.597 -8.408 13.739 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.370 -9.644 12.740 1.00 0.00 H new ATOM 1222 N ASN A 79 8.979 -9.222 10.744 1.00 0.00 N ATOM 1223 CA ASN A 79 8.530 -7.825 10.416 1.00 0.00 C ATOM 1224 C ASN A 79 8.216 -7.822 8.900 1.00 0.00 C ATOM 1225 O ASN A 79 9.119 -7.924 8.111 1.00 0.00 O ATOM 1226 CB ASN A 79 9.601 -6.795 10.710 1.00 0.00 C ATOM 1227 CG ASN A 79 9.719 -6.651 12.222 1.00 0.00 C ATOM 1228 OD1 ASN A 79 10.796 -6.795 12.763 1.00 0.00 O ATOM 1229 ND2 ASN A 79 8.695 -6.370 12.979 1.00 0.00 N ATOM 0 H ASN A 79 9.933 -9.428 10.446 1.00 0.00 H new ATOM 0 HA ASN A 79 7.667 -7.559 11.026 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.554 -7.105 10.282 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.343 -5.838 10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.816 -6.279 13.988 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.773 -6.241 12.562 1.00 0.00 H new ATOM 1236 N ALA A 80 6.961 -7.704 8.597 1.00 0.00 N ATOM 1237 CA ALA A 80 6.462 -7.680 7.177 1.00 0.00 C ATOM 1238 C ALA A 80 5.590 -6.435 7.037 1.00 0.00 C ATOM 1239 O ALA A 80 4.666 -6.257 7.792 1.00 0.00 O ATOM 1240 CB ALA A 80 5.693 -8.946 6.850 1.00 0.00 C ATOM 0 H ALA A 80 6.222 -7.619 9.295 1.00 0.00 H new ATOM 0 HA ALA A 80 7.291 -7.641 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.344 -8.903 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.345 -9.811 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.837 -9.035 7.519 1.00 0.00 H new ATOM 1246 N MET A 81 5.919 -5.627 6.080 1.00 0.00 N ATOM 1247 CA MET A 81 5.175 -4.378 5.825 1.00 0.00 C ATOM 1248 C MET A 81 3.655 -4.584 5.793 1.00 0.00 C ATOM 1249 O MET A 81 3.207 -5.633 5.403 1.00 0.00 O ATOM 1250 CB MET A 81 5.581 -3.828 4.439 1.00 0.00 C ATOM 1251 CG MET A 81 4.359 -3.519 3.588 1.00 0.00 C ATOM 1252 SD MET A 81 4.923 -2.669 2.074 1.00 0.00 S ATOM 1253 CE MET A 81 4.504 -0.979 2.530 1.00 0.00 C ATOM 0 H MET A 81 6.700 -5.788 5.444 1.00 0.00 H new ATOM 0 HA MET A 81 5.420 -3.696 6.639 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.178 -2.924 4.564 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.209 -4.556 3.926 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.830 -4.437 3.334 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.660 -2.890 4.140 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.145 -0.444 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.725 -0.990 3.292 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.389 -0.478 2.923 1.00 0.00 H new ATOM 1263 N LYS A 82 2.834 -3.614 6.170 1.00 0.00 N ATOM 1264 CA LYS A 82 1.371 -3.730 6.142 1.00 0.00 C ATOM 1265 C LYS A 82 0.837 -2.511 5.323 1.00 0.00 C ATOM 1266 O LYS A 82 1.158 -1.418 5.727 1.00 0.00 O ATOM 1267 CB LYS A 82 0.768 -3.818 7.557 1.00 0.00 C ATOM 1268 CG LYS A 82 0.578 -5.315 7.908 1.00 0.00 C ATOM 1269 CD LYS A 82 -0.895 -5.664 8.016 1.00 0.00 C ATOM 1270 CE LYS A 82 -1.098 -7.123 7.594 1.00 0.00 C ATOM 1271 NZ LYS A 82 -2.221 -7.696 8.377 1.00 0.00 N ATOM 0 H LYS A 82 3.163 -2.710 6.509 1.00 0.00 H new ATOM 0 HA LYS A 82 1.065 -4.660 5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.426 -3.338 8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.187 -3.294 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.047 -5.934 7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.079 -5.538 8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.242 -5.517 9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.485 -5.003 7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.314 -7.181 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.187 -7.696 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.368 -8.687 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.996 -7.651 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.087 -7.152 8.191 1.00 0.00 H new ATOM 1285 N ILE A 83 0.186 -2.906 4.276 1.00 0.00 N ATOM 1286 CA ILE A 83 -0.399 -2.048 3.190 1.00 0.00 C ATOM 1287 C ILE A 83 -1.872 -2.507 3.062 1.00 0.00 C ATOM 1288 O ILE A 83 -2.158 -3.620 2.686 1.00 0.00 O ATOM 1289 CB ILE A 83 0.413 -2.333 1.912 1.00 0.00 C ATOM 1290 CG1 ILE A 83 1.317 -1.123 1.578 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -0.445 -2.624 0.701 1.00 0.00 C ATOM 1292 CD1 ILE A 83 2.092 -1.374 0.285 1.00 0.00 C ATOM 0 H ILE A 83 0.015 -3.897 4.107 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.363 -0.976 3.383 1.00 0.00 H new ATOM 0 HB ILE A 83 1.000 -3.226 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.709 -0.224 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.013 -0.945 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.195 -2.815 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.063 -3.500 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.086 -1.767 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.723 -0.512 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.716 -2.260 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.391 -1.529 -0.535 1.00 0.00 H new ATOM 1304 N SER A 84 -2.724 -1.611 3.426 1.00 0.00 N ATOM 1305 CA SER A 84 -4.188 -1.860 3.479 1.00 0.00 C ATOM 1306 C SER A 84 -4.874 -0.803 2.583 1.00 0.00 C ATOM 1307 O SER A 84 -4.871 0.352 2.917 1.00 0.00 O ATOM 1308 CB SER A 84 -4.768 -1.833 4.889 1.00 0.00 C ATOM 1309 OG SER A 84 -6.194 -1.906 4.759 1.00 0.00 O ATOM 0 H SER A 84 -2.458 -0.667 3.704 1.00 0.00 H new ATOM 0 HA SER A 84 -4.376 -2.871 3.119 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.391 -2.670 5.477 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.475 -0.921 5.409 1.00 0.00 H new ATOM 0 HG SER A 84 -6.605 -1.893 5.649 1.00 0.00 H new ATOM 1315 N PHE A 85 -5.379 -1.251 1.504 1.00 0.00 N ATOM 1316 CA PHE A 85 -6.139 -0.373 0.542 1.00 0.00 C ATOM 1317 C PHE A 85 -6.993 0.666 1.273 1.00 0.00 C ATOM 1318 O PHE A 85 -7.422 0.501 2.408 1.00 0.00 O ATOM 1319 CB PHE A 85 -7.113 -1.204 -0.296 1.00 0.00 C ATOM 1320 CG PHE A 85 -6.335 -1.779 -1.462 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -5.988 -1.005 -2.575 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -5.951 -3.127 -1.425 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -5.263 -1.552 -3.650 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -5.232 -3.698 -2.483 1.00 0.00 C ATOM 1325 CZ PHE A 85 -4.896 -2.898 -3.584 1.00 0.00 C ATOM 0 H PHE A 85 -5.309 -2.226 1.211 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.386 0.114 -0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.550 -2.002 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.937 -0.585 -0.652 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.283 0.033 -2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.213 -3.733 -0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.997 -0.947 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.941 -4.738 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.340 -3.333 -4.401 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.274 1.777 0.681 1.00 0.00 N ATOM 1336 CA ALA A 86 -8.020 2.886 1.292 1.00 0.00 C ATOM 1337 C ALA A 86 -9.489 2.928 0.950 1.00 0.00 C ATOM 1338 O ALA A 86 -10.295 2.495 1.739 1.00 0.00 O ATOM 1339 CB ALA A 86 -7.392 4.181 0.728 1.00 0.00 C ATOM 0 H ALA A 86 -6.991 1.970 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.956 2.767 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.906 5.047 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.336 4.220 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.491 4.190 -0.357 1.00 0.00 H new