USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 761 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 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 98 SER OG : rot 150:sc= 0 USER MOD Set 2.1: A 95 LYS NZ :NH3+ 157:sc= 0.543 (180deg=0) USER MOD Set 2.2: A 97 TYR OH : rot 82:sc= 1.31 USER MOD Set 2.3: A 117 TYR OH : rot 180:sc= 0.639 USER MOD Set 3.1: A 18 MET CE :methyl 175:sc= -1.17 (180deg=-1.38) USER MOD Set 3.2: A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 14 THR OG1 : rot 30:sc= -3.95! USER MOD Single : A 15 SER OG : rot -38:sc= 0.8 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 0.449 (180deg=0.168) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0352 F(o=-0.81,f=-0.035) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0342 USER MOD Single : A 35 GLN : amide:sc= -0.0671 X(o=-0.067,f=-0.014) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.39) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.476) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 0.846 (180deg=0.356) USER MOD Single : A 57 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.44) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00337) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -119:sc= 1.94 (180deg=0.245) USER MOD Single : A 89 LYS NZ :NH3+ 143:sc= 1.23 (180deg=0.989) USER MOD Single : A 99 THR OG1 : rot -111:sc= 0.484 USER MOD Single : A 114 ASN : amide:sc= -0.707 K(o=-0.71,f=-1.4) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.126 -7.656 -2.632 1.00 0.00 N ATOM 181 CA THR A 14 8.194 -8.054 -1.571 1.00 0.00 C ATOM 182 C THR A 14 7.375 -9.302 -1.917 1.00 0.00 C ATOM 183 O THR A 14 6.793 -9.947 -1.047 1.00 0.00 O ATOM 184 CB THR A 14 7.303 -6.859 -1.265 1.00 0.00 C ATOM 185 OG1 THR A 14 6.409 -7.175 -0.239 1.00 0.00 O ATOM 186 CG2 THR A 14 6.527 -6.296 -2.457 1.00 0.00 C ATOM 0 HA THR A 14 8.766 -8.340 -0.688 1.00 0.00 H new ATOM 0 HB THR A 14 7.992 -6.070 -0.963 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.816 -7.837 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.924 -5.448 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.227 -5.969 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.876 -7.069 -2.865 1.00 0.00 H new ATOM 194 N SER A 15 7.333 -9.614 -3.197 1.00 0.00 N ATOM 195 CA SER A 15 6.661 -10.733 -3.844 1.00 0.00 C ATOM 196 C SER A 15 5.140 -10.625 -3.713 1.00 0.00 C ATOM 197 O SER A 15 4.457 -11.649 -3.621 1.00 0.00 O ATOM 198 CB SER A 15 7.268 -12.048 -3.313 1.00 0.00 C ATOM 199 OG SER A 15 6.664 -13.199 -3.879 1.00 0.00 O ATOM 0 H SER A 15 7.817 -9.034 -3.882 1.00 0.00 H new ATOM 0 HA SER A 15 6.832 -10.716 -4.920 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.337 -12.062 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.159 -12.082 -2.229 1.00 0.00 H new ATOM 0 HG SER A 15 5.701 -13.048 -3.977 1.00 0.00 H new ATOM 205 N GLU A 16 4.608 -9.410 -3.625 1.00 0.00 N ATOM 206 CA GLU A 16 3.189 -9.155 -3.493 1.00 0.00 C ATOM 207 C GLU A 16 2.888 -7.807 -4.131 1.00 0.00 C ATOM 208 O GLU A 16 3.803 -7.016 -4.353 1.00 0.00 O ATOM 209 CB GLU A 16 2.815 -9.226 -2.005 1.00 0.00 C ATOM 210 CG GLU A 16 3.120 -8.038 -1.103 1.00 0.00 C ATOM 211 CD GLU A 16 2.947 -8.433 0.377 1.00 0.00 C ATOM 212 OE1 GLU A 16 1.886 -8.985 0.773 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.837 -8.135 1.205 1.00 0.00 O ATOM 0 H GLU A 16 5.170 -8.559 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 16 2.584 -9.901 -4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.743 -9.416 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.317 -10.096 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.139 -7.692 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.456 -7.208 -1.345 1.00 0.00 H new ATOM 220 N THR A 17 1.615 -7.530 -4.377 1.00 0.00 N ATOM 221 CA THR A 17 1.133 -6.298 -4.976 1.00 0.00 C ATOM 222 C THR A 17 0.164 -5.639 -3.994 1.00 0.00 C ATOM 223 O THR A 17 -0.121 -6.189 -2.921 1.00 0.00 O ATOM 224 CB THR A 17 0.524 -6.634 -6.347 1.00 0.00 C ATOM 225 OG1 THR A 17 0.282 -5.455 -7.086 1.00 0.00 O ATOM 226 CG2 THR A 17 -0.804 -7.383 -6.203 1.00 0.00 C ATOM 0 H THR A 17 0.863 -8.183 -4.156 1.00 0.00 H new ATOM 0 HA THR A 17 1.927 -5.575 -5.161 1.00 0.00 H new ATOM 0 HB THR A 17 1.244 -7.267 -6.866 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.104 -5.688 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.206 -7.604 -7.192 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.639 -8.314 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.513 -6.764 -5.653 1.00 0.00 H new ATOM 234 N MET A 18 -0.367 -4.462 -4.343 1.00 0.00 N ATOM 235 CA MET A 18 -1.291 -3.746 -3.479 1.00 0.00 C ATOM 236 C MET A 18 -2.487 -4.614 -3.067 1.00 0.00 C ATOM 237 O MET A 18 -2.945 -4.526 -1.931 1.00 0.00 O ATOM 238 CB MET A 18 -1.829 -2.498 -4.195 1.00 0.00 C ATOM 239 CG MET A 18 -0.944 -1.273 -3.982 1.00 0.00 C ATOM 240 SD MET A 18 -1.528 -0.097 -2.727 1.00 0.00 S ATOM 241 CE MET A 18 -2.021 -1.195 -1.374 1.00 0.00 C ATOM 0 H MET A 18 -0.167 -3.989 -5.224 1.00 0.00 H new ATOM 0 HA MET A 18 -0.733 -3.468 -2.585 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.910 -2.702 -5.263 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.835 -2.282 -3.835 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.054 -1.611 -3.702 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.847 -0.746 -4.931 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.314 -0.599 -0.510 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.863 -1.810 -1.693 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.184 -1.838 -1.104 1.00 0.00 H new ATOM 251 N GLU A 19 -2.999 -5.437 -3.984 1.00 0.00 N ATOM 252 CA GLU A 19 -4.133 -6.316 -3.726 1.00 0.00 C ATOM 253 C GLU A 19 -3.839 -7.264 -2.571 1.00 0.00 C ATOM 254 O GLU A 19 -4.587 -7.289 -1.593 1.00 0.00 O ATOM 255 CB GLU A 19 -4.414 -7.202 -4.946 1.00 0.00 C ATOM 256 CG GLU A 19 -5.161 -6.515 -6.088 1.00 0.00 C ATOM 257 CD GLU A 19 -5.558 -7.551 -7.140 1.00 0.00 C ATOM 258 OE1 GLU A 19 -6.285 -8.520 -6.789 1.00 0.00 O ATOM 259 OE2 GLU A 19 -5.113 -7.403 -8.300 1.00 0.00 O ATOM 0 H GLU A 19 -2.633 -5.510 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.982 -5.672 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.465 -7.579 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.993 -8.067 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.049 -6.013 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.531 -5.748 -6.538 1.00 0.00 H new ATOM 266 N SER A 20 -2.710 -7.973 -2.639 1.00 0.00 N ATOM 267 CA SER A 20 -2.249 -8.962 -1.676 1.00 0.00 C ATOM 268 C SER A 20 -2.211 -8.422 -0.259 1.00 0.00 C ATOM 269 O SER A 20 -2.338 -9.175 0.702 1.00 0.00 O ATOM 270 CB SER A 20 -0.861 -9.433 -2.100 1.00 0.00 C ATOM 271 OG SER A 20 -0.832 -9.766 -3.474 1.00 0.00 O ATOM 0 H SER A 20 -2.058 -7.862 -3.416 1.00 0.00 H new ATOM 0 HA SER A 20 -2.955 -9.792 -1.670 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.131 -8.650 -1.897 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.571 -10.300 -1.507 1.00 0.00 H new ATOM 0 HG SER A 20 0.069 -10.063 -3.720 1.00 0.00 H new ATOM 277 N LEU A 21 -1.950 -7.115 -0.132 1.00 0.00 N ATOM 278 CA LEU A 21 -1.903 -6.474 1.151 1.00 0.00 C ATOM 279 C LEU A 21 -3.310 -6.401 1.710 1.00 0.00 C ATOM 280 O LEU A 21 -3.575 -6.891 2.803 1.00 0.00 O ATOM 281 CB LEU A 21 -1.364 -5.046 1.002 1.00 0.00 C ATOM 282 CG LEU A 21 0.027 -4.916 0.381 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.593 -3.564 0.775 1.00 0.00 C ATOM 284 CD2 LEU A 21 0.961 -6.038 0.788 1.00 0.00 C ATOM 0 H LEU A 21 -1.769 -6.492 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.252 -7.043 1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.066 -4.475 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.345 -4.581 1.988 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.065 -4.992 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.587 -3.446 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.060 -2.774 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.659 -3.500 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.933 -5.892 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.080 -6.038 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.543 -6.993 0.469 1.00 0.00 H new ATOM 296 N ILE A 22 -4.228 -5.831 0.938 1.00 0.00 N ATOM 297 CA ILE A 22 -5.606 -5.678 1.352 1.00 0.00 C ATOM 298 C ILE A 22 -6.260 -7.047 1.554 1.00 0.00 C ATOM 299 O ILE A 22 -7.002 -7.206 2.517 1.00 0.00 O ATOM 300 CB ILE A 22 -6.376 -4.815 0.341 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.697 -3.461 0.030 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.754 -4.578 0.959 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.316 -2.771 -1.192 1.00 0.00 C ATOM 0 H ILE A 22 -4.031 -5.463 0.007 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.634 -5.160 2.311 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.419 -5.336 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.782 -2.806 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.633 -3.621 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.355 -3.967 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.250 -5.535 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.641 -4.063 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.807 -1.824 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.208 -3.413 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.374 -2.585 -1.008 1.00 0.00 H new ATOM 315 N ASP A 23 -5.934 -8.030 0.716 1.00 0.00 N ATOM 316 CA ASP A 23 -6.457 -9.400 0.767 1.00 0.00 C ATOM 317 C ASP A 23 -6.136 -10.046 2.121 1.00 0.00 C ATOM 318 O ASP A 23 -6.770 -11.033 2.491 1.00 0.00 O ATOM 319 CB ASP A 23 -5.927 -10.260 -0.397 1.00 0.00 C ATOM 320 CG ASP A 23 -6.740 -10.106 -1.690 1.00 0.00 C ATOM 321 OD1 ASP A 23 -7.818 -10.726 -1.828 1.00 0.00 O ATOM 322 OD2 ASP A 23 -6.318 -9.347 -2.588 1.00 0.00 O ATOM 0 H ASP A 23 -5.273 -7.891 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.540 -9.346 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.890 -9.990 -0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.932 -11.308 -0.096 1.00 0.00 H new ATOM 327 N LYS A 24 -5.150 -9.525 2.871 1.00 0.00 N ATOM 328 CA LYS A 24 -4.798 -10.032 4.198 1.00 0.00 C ATOM 329 C LYS A 24 -5.147 -9.006 5.277 1.00 0.00 C ATOM 330 O LYS A 24 -5.194 -9.375 6.445 1.00 0.00 O ATOM 331 CB LYS A 24 -3.287 -10.375 4.231 1.00 0.00 C ATOM 332 CG LYS A 24 -2.359 -9.355 4.934 1.00 0.00 C ATOM 333 CD LYS A 24 -2.165 -9.603 6.455 1.00 0.00 C ATOM 334 CE LYS A 24 -2.576 -8.431 7.377 1.00 0.00 C ATOM 335 NZ LYS A 24 -1.876 -8.426 8.676 1.00 0.00 N ATOM 0 H LYS A 24 -4.576 -8.738 2.568 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.373 -10.935 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.168 -11.340 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.943 -10.497 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.384 -9.375 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.766 -8.354 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.740 -10.484 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.116 -9.835 6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.378 -7.490 6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.651 -8.478 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.199 -7.615 9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.084 -9.309 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.851 -8.351 8.518 1.00 0.00 H new ATOM 349 N GLY A 25 -5.432 -7.750 4.921 1.00 0.00 N ATOM 350 CA GLY A 25 -5.758 -6.674 5.847 1.00 0.00 C ATOM 351 C GLY A 25 -4.565 -5.782 6.180 1.00 0.00 C ATOM 352 O GLY A 25 -4.545 -5.166 7.244 1.00 0.00 O ATOM 0 H GLY A 25 -5.441 -7.450 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.551 -6.062 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.150 -7.104 6.769 1.00 0.00 H new ATOM 356 N LYS A 26 -3.537 -5.729 5.328 1.00 0.00 N ATOM 357 CA LYS A 26 -2.352 -4.895 5.538 1.00 0.00 C ATOM 358 C LYS A 26 -2.688 -3.466 5.095 1.00 0.00 C ATOM 359 O LYS A 26 -2.206 -3.015 4.058 1.00 0.00 O ATOM 360 CB LYS A 26 -1.125 -5.480 4.795 1.00 0.00 C ATOM 361 CG LYS A 26 -0.295 -6.422 5.674 1.00 0.00 C ATOM 362 CD LYS A 26 1.049 -6.829 5.065 1.00 0.00 C ATOM 363 CE LYS A 26 0.906 -7.944 4.023 1.00 0.00 C ATOM 364 NZ LYS A 26 2.207 -8.322 3.448 1.00 0.00 N ATOM 0 H LYS A 26 -3.505 -6.270 4.464 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.079 -4.877 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.464 -6.020 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.493 -4.663 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.114 -5.939 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.878 -7.321 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.512 -5.959 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.718 -7.161 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.445 -8.817 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.238 -7.615 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.056 -8.924 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.725 -7.465 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.761 -8.845 4.156 1.00 0.00 H new ATOM 378 N LEU A 27 -3.530 -2.744 5.838 1.00 0.00 N ATOM 379 CA LEU A 27 -3.921 -1.362 5.510 1.00 0.00 C ATOM 380 C LEU A 27 -2.924 -0.343 6.066 1.00 0.00 C ATOM 381 O LEU A 27 -3.137 0.861 5.951 1.00 0.00 O ATOM 382 CB LEU A 27 -5.348 -1.027 5.998 1.00 0.00 C ATOM 383 CG LEU A 27 -6.512 -1.773 5.319 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.377 -1.834 3.794 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.626 -3.210 5.806 1.00 0.00 C ATOM 0 H LEU A 27 -3.965 -3.099 6.690 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.913 -1.295 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.396 -1.227 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.509 0.043 5.866 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.397 -1.197 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.227 -2.372 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.353 -0.822 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.455 -2.352 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.459 -3.700 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.702 -3.744 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.798 -3.217 6.882 1.00 0.00 H new ATOM 397 N ASP A 28 -1.822 -0.800 6.654 1.00 0.00 N ATOM 398 CA ASP A 28 -0.791 0.068 7.235 1.00 0.00 C ATOM 399 C ASP A 28 0.471 0.099 6.370 1.00 0.00 C ATOM 400 O ASP A 28 1.513 0.607 6.786 1.00 0.00 O ATOM 401 CB ASP A 28 -0.522 -0.292 8.703 1.00 0.00 C ATOM 402 CG ASP A 28 -1.805 -0.223 9.533 1.00 0.00 C ATOM 403 OD1 ASP A 28 -2.370 0.888 9.681 1.00 0.00 O ATOM 404 OD2 ASP A 28 -2.270 -1.284 10.007 1.00 0.00 O ATOM 0 H ASP A 28 -1.613 -1.794 6.744 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.168 1.091 7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.100 -1.295 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.220 0.391 9.118 1.00 0.00 H new ATOM 409 N GLN A 29 0.410 -0.448 5.152 1.00 0.00 N ATOM 410 CA GLN A 29 1.502 -0.483 4.190 1.00 0.00 C ATOM 411 C GLN A 29 0.926 -0.559 2.774 1.00 0.00 C ATOM 412 O GLN A 29 -0.257 -0.861 2.592 1.00 0.00 O ATOM 413 CB GLN A 29 2.467 -1.628 4.523 1.00 0.00 C ATOM 414 CG GLN A 29 1.829 -2.992 4.789 1.00 0.00 C ATOM 415 CD GLN A 29 2.467 -3.678 5.994 1.00 0.00 C ATOM 416 OE1 GLN A 29 3.781 -3.784 6.030 1.00 0.00 O flip ATOM 417 NE2 GLN A 29 1.780 -4.083 6.923 1.00 0.00 N flip ATOM 0 H GLN A 29 -0.437 -0.895 4.801 1.00 0.00 H new ATOM 0 HA GLN A 29 2.092 0.432 4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.171 -1.734 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.046 -1.343 5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.760 -2.868 4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.938 -3.625 3.908 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.765 -3.995 6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.223 -4.508 7.737 1.00 0.00 H new ATOM 426 N VAL A 30 1.756 -0.300 1.766 1.00 0.00 N ATOM 427 CA VAL A 30 1.382 -0.315 0.345 1.00 0.00 C ATOM 428 C VAL A 30 2.531 -0.830 -0.536 1.00 0.00 C ATOM 429 O VAL A 30 3.664 -0.906 -0.051 1.00 0.00 O ATOM 430 CB VAL A 30 0.978 1.100 -0.100 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.301 1.605 0.580 1.00 0.00 C ATOM 432 CG2 VAL A 30 2.092 2.117 0.138 1.00 0.00 C ATOM 0 H VAL A 30 2.738 -0.066 1.915 1.00 0.00 H new ATOM 0 HA VAL A 30 0.538 -0.995 0.226 1.00 0.00 H new ATOM 0 HB VAL A 30 0.787 1.010 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.531 2.609 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.128 0.936 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.154 1.629 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.762 3.102 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.332 2.151 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.978 1.824 -0.425 1.00 0.00 H new ATOM 442 N VAL A 31 2.263 -1.197 -1.801 1.00 0.00 N ATOM 443 CA VAL A 31 3.268 -1.652 -2.751 1.00 0.00 C ATOM 444 C VAL A 31 3.250 -0.666 -3.925 1.00 0.00 C ATOM 445 O VAL A 31 2.192 -0.139 -4.276 1.00 0.00 O ATOM 446 CB VAL A 31 3.048 -3.082 -3.302 1.00 0.00 C ATOM 447 CG1 VAL A 31 4.280 -3.698 -3.908 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.531 -4.128 -2.301 1.00 0.00 C ATOM 0 H VAL A 31 1.320 -1.182 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 31 4.220 -1.688 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 31 2.279 -2.877 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.045 -4.699 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.624 -3.082 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.064 -3.760 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.417 -5.088 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.242 -4.230 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.566 -3.808 -1.907 1.00 0.00 H new ATOM 458 N TYR A 32 4.406 -0.360 -4.502 1.00 0.00 N ATOM 459 CA TYR A 32 4.570 0.522 -5.652 1.00 0.00 C ATOM 460 C TYR A 32 5.911 0.139 -6.248 1.00 0.00 C ATOM 461 O TYR A 32 6.855 -0.105 -5.503 1.00 0.00 O ATOM 462 CB TYR A 32 4.593 2.018 -5.281 1.00 0.00 C ATOM 463 CG TYR A 32 5.170 2.935 -6.359 1.00 0.00 C ATOM 464 CD1 TYR A 32 4.627 2.955 -7.660 1.00 0.00 C ATOM 465 CD2 TYR A 32 6.353 3.656 -6.101 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.304 3.618 -8.702 1.00 0.00 C ATOM 467 CE2 TYR A 32 7.028 4.339 -7.126 1.00 0.00 C ATOM 468 CZ TYR A 32 6.529 4.280 -8.444 1.00 0.00 C ATOM 469 OH TYR A 32 7.266 4.818 -9.456 1.00 0.00 O ATOM 0 H TYR A 32 5.293 -0.736 -4.167 1.00 0.00 H new ATOM 0 HA TYR A 32 3.728 0.401 -6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.575 2.338 -5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.175 2.143 -4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.688 2.460 -7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.748 3.684 -5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.888 3.622 -9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.922 4.905 -6.907 1.00 0.00 H new ATOM 0 HH TYR A 32 8.074 5.232 -9.088 1.00 0.00 H new ATOM 479 N ASP A 33 5.988 0.107 -7.576 1.00 0.00 N ATOM 480 CA ASP A 33 7.191 -0.218 -8.333 1.00 0.00 C ATOM 481 C ASP A 33 7.835 -1.535 -7.877 1.00 0.00 C ATOM 482 O ASP A 33 9.055 -1.662 -7.932 1.00 0.00 O ATOM 483 CB ASP A 33 8.155 0.989 -8.256 1.00 0.00 C ATOM 484 CG ASP A 33 9.191 1.072 -9.375 1.00 0.00 C ATOM 485 OD1 ASP A 33 9.141 0.282 -10.346 1.00 0.00 O ATOM 486 OD2 ASP A 33 9.991 2.043 -9.393 1.00 0.00 O ATOM 0 H ASP A 33 5.187 0.314 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 33 6.929 -0.393 -9.376 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.564 1.905 -8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.679 0.954 -7.301 1.00 0.00 H new ATOM 491 N ASP A 34 7.014 -2.517 -7.461 1.00 0.00 N ATOM 492 CA ASP A 34 7.434 -3.851 -6.989 1.00 0.00 C ATOM 493 C ASP A 34 8.146 -3.771 -5.629 1.00 0.00 C ATOM 494 O ASP A 34 8.999 -4.597 -5.296 1.00 0.00 O ATOM 495 CB ASP A 34 8.320 -4.517 -8.063 1.00 0.00 C ATOM 496 CG ASP A 34 8.064 -6.010 -8.210 1.00 0.00 C ATOM 497 OD1 ASP A 34 6.889 -6.350 -8.496 1.00 0.00 O ATOM 498 OD2 ASP A 34 9.047 -6.787 -8.223 1.00 0.00 O ATOM 0 H ASP A 34 6.001 -2.399 -7.443 1.00 0.00 H new ATOM 0 HA ASP A 34 6.549 -4.468 -6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.146 -4.029 -9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.368 -4.358 -7.810 1.00 0.00 H new ATOM 503 N GLN A 35 7.830 -2.745 -4.831 1.00 0.00 N ATOM 504 CA GLN A 35 8.451 -2.481 -3.538 1.00 0.00 C ATOM 505 C GLN A 35 7.380 -2.267 -2.513 1.00 0.00 C ATOM 506 O GLN A 35 6.286 -1.838 -2.852 1.00 0.00 O ATOM 507 CB GLN A 35 9.335 -1.230 -3.566 1.00 0.00 C ATOM 508 CG GLN A 35 10.369 -1.167 -4.695 1.00 0.00 C ATOM 509 CD GLN A 35 11.159 -2.451 -4.955 1.00 0.00 C ATOM 510 OE1 GLN A 35 11.365 -2.888 -6.082 1.00 0.00 O ATOM 511 NE2 GLN A 35 11.656 -3.086 -3.911 1.00 0.00 N ATOM 0 H GLN A 35 7.116 -2.060 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 35 9.074 -3.341 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.690 -0.354 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.860 -1.158 -2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.856 -0.887 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.076 -0.369 -4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.489 -2.729 -2.970 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.207 -3.934 -4.045 1.00 0.00 H new ATOM 520 N LEU A 36 7.719 -2.522 -1.259 1.00 0.00 N ATOM 521 CA LEU A 36 6.807 -2.435 -0.133 1.00 0.00 C ATOM 522 C LEU A 36 7.211 -1.362 0.843 1.00 0.00 C ATOM 523 O LEU A 36 8.343 -1.375 1.335 1.00 0.00 O ATOM 524 CB LEU A 36 6.865 -3.786 0.557 1.00 0.00 C ATOM 525 CG LEU A 36 5.774 -4.112 1.562 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.385 -4.192 0.940 1.00 0.00 C ATOM 527 CD2 LEU A 36 6.148 -5.483 2.136 1.00 0.00 C ATOM 0 H LEU A 36 8.662 -2.803 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 36 5.806 -2.181 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.853 -4.557 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.825 -3.861 1.068 1.00 0.00 H new ATOM 0 HG LEU A 36 5.719 -3.323 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.653 -4.428 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.135 -3.234 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.372 -4.971 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.403 -5.785 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.182 -6.217 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.126 -5.423 2.614 1.00 0.00 H new ATOM 539 N TYR A 37 6.269 -0.486 1.159 1.00 0.00 N ATOM 540 CA TYR A 37 6.500 0.612 2.075 1.00 0.00 C ATOM 541 C TYR A 37 5.511 0.580 3.228 1.00 0.00 C ATOM 542 O TYR A 37 4.313 0.376 3.030 1.00 0.00 O ATOM 543 CB TYR A 37 6.369 1.963 1.369 1.00 0.00 C ATOM 544 CG TYR A 37 6.967 2.065 -0.011 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.307 1.707 -0.233 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.198 2.615 -1.050 1.00 0.00 C ATOM 547 CE1 TYR A 37 8.890 1.912 -1.491 1.00 0.00 C ATOM 548 CE2 TYR A 37 6.785 2.844 -2.302 1.00 0.00 C ATOM 549 CZ TYR A 37 8.136 2.498 -2.528 1.00 0.00 C ATOM 550 OH TYR A 37 8.742 2.852 -3.689 1.00 0.00 O ATOM 0 H TYR A 37 5.321 -0.520 0.784 1.00 0.00 H new ATOM 0 HA TYR A 37 7.515 0.494 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.310 2.210 1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.833 2.722 1.998 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.889 1.273 0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.159 2.860 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.915 1.621 -1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.203 3.286 -3.097 1.00 0.00 H new ATOM 0 HH TYR A 37 9.501 2.255 -3.857 1.00 0.00 H new ATOM 560 N HIS A 38 6.016 0.794 4.433 1.00 0.00 N ATOM 561 CA HIS A 38 5.301 0.834 5.688 1.00 0.00 C ATOM 562 C HIS A 38 4.911 2.262 5.960 1.00 0.00 C ATOM 563 O HIS A 38 5.759 3.143 5.848 1.00 0.00 O ATOM 564 CB HIS A 38 6.238 0.426 6.828 1.00 0.00 C ATOM 565 CG HIS A 38 5.732 -0.688 7.692 1.00 0.00 C ATOM 566 ND1 HIS A 38 6.537 -1.425 8.522 1.00 0.00 N ATOM 567 CD2 HIS A 38 4.433 -1.103 7.867 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.753 -2.300 9.152 1.00 0.00 C ATOM 569 NE2 HIS A 38 4.469 -2.171 8.772 1.00 0.00 N ATOM 0 H HIS A 38 7.015 0.956 4.563 1.00 0.00 H new ATOM 0 HA HIS A 38 4.439 0.169 5.630 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.197 0.129 6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.424 1.298 7.456 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.555 -0.686 7.397 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.104 -3.021 9.876 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.679 -2.738 9.081 1.00 0.00 H new ATOM 577 N LEU A 39 3.659 2.503 6.299 1.00 0.00 N ATOM 578 CA LEU A 39 3.225 3.860 6.613 1.00 0.00 C ATOM 579 C LEU A 39 3.753 4.207 8.007 1.00 0.00 C ATOM 580 O LEU A 39 3.644 3.398 8.931 1.00 0.00 O ATOM 581 CB LEU A 39 1.701 3.970 6.561 1.00 0.00 C ATOM 582 CG LEU A 39 1.109 3.479 5.230 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.396 3.699 5.279 1.00 0.00 C ATOM 584 CD2 LEU A 39 1.690 4.194 4.004 1.00 0.00 C ATOM 0 H LEU A 39 2.931 1.792 6.365 1.00 0.00 H new ATOM 0 HA LEU A 39 3.619 4.562 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.272 3.391 7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.411 5.009 6.720 1.00 0.00 H new ATOM 0 HG LEU A 39 1.364 2.425 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.844 3.359 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.819 3.136 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.604 4.760 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.228 3.799 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.489 5.263 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.767 4.030 3.963 1.00 0.00 H new ATOM 596 N LYS A 40 4.327 5.402 8.173 1.00 0.00 N ATOM 597 CA LYS A 40 4.879 5.855 9.452 1.00 0.00 C ATOM 598 C LYS A 40 4.025 6.972 9.987 1.00 0.00 C ATOM 599 O LYS A 40 3.454 6.846 11.068 1.00 0.00 O ATOM 600 CB LYS A 40 6.353 6.276 9.327 1.00 0.00 C ATOM 601 CG LYS A 40 7.222 5.209 8.663 1.00 0.00 C ATOM 602 CD LYS A 40 7.301 3.885 9.444 1.00 0.00 C ATOM 603 CE LYS A 40 8.400 3.911 10.506 1.00 0.00 C ATOM 604 NZ LYS A 40 8.609 2.588 11.133 1.00 0.00 N ATOM 0 H LYS A 40 4.422 6.085 7.421 1.00 0.00 H new ATOM 0 HA LYS A 40 4.863 5.023 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.414 7.198 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.749 6.494 10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.831 5.007 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.230 5.604 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.341 3.688 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.487 3.065 8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.332 4.246 10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.141 4.638 11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.363 2.657 11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.728 2.277 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.883 1.898 10.405 1.00 0.00 H new ATOM 618 N GLU A 41 3.938 8.070 9.243 1.00 0.00 N ATOM 619 CA GLU A 41 3.124 9.202 9.679 1.00 0.00 C ATOM 620 C GLU A 41 2.530 9.971 8.511 1.00 0.00 C ATOM 621 O GLU A 41 2.927 9.793 7.363 1.00 0.00 O ATOM 622 CB GLU A 41 3.926 10.132 10.602 1.00 0.00 C ATOM 623 CG GLU A 41 4.943 11.022 9.874 1.00 0.00 C ATOM 624 CD GLU A 41 5.914 11.694 10.851 1.00 0.00 C ATOM 625 OE1 GLU A 41 5.465 12.518 11.684 1.00 0.00 O ATOM 626 OE2 GLU A 41 7.129 11.383 10.852 1.00 0.00 O ATOM 0 H GLU A 41 4.412 8.201 8.349 1.00 0.00 H new ATOM 0 HA GLU A 41 2.288 8.793 10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.231 10.768 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.453 9.526 11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.505 10.422 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.415 11.786 9.304 1.00 0.00 H new ATOM 633 N LYS A 42 1.567 10.826 8.823 1.00 0.00 N ATOM 634 CA LYS A 42 0.866 11.678 7.874 1.00 0.00 C ATOM 635 C LYS A 42 1.691 12.948 7.717 1.00 0.00 C ATOM 636 O LYS A 42 2.356 13.382 8.668 1.00 0.00 O ATOM 637 CB LYS A 42 -0.567 11.930 8.378 1.00 0.00 C ATOM 638 CG LYS A 42 -1.575 12.326 7.285 1.00 0.00 C ATOM 639 CD LYS A 42 -1.671 13.830 6.993 1.00 0.00 C ATOM 640 CE LYS A 42 -2.822 14.461 7.789 1.00 0.00 C ATOM 641 NZ LYS A 42 -3.286 15.742 7.222 1.00 0.00 N ATOM 0 H LYS A 42 1.240 10.950 9.781 1.00 0.00 H new ATOM 0 HA LYS A 42 0.762 11.216 6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.926 11.029 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.539 12.719 9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.307 11.810 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.562 11.966 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.731 14.317 7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.828 13.990 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.658 13.762 7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.499 14.622 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.223 15.974 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.613 16.495 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.349 15.661 6.187 1.00 0.00 H new ATOM 655 N VAL A 43 1.691 13.508 6.518 1.00 0.00 N ATOM 656 CA VAL A 43 2.410 14.717 6.173 1.00 0.00 C ATOM 657 C VAL A 43 1.505 15.575 5.284 1.00 0.00 C ATOM 658 O VAL A 43 0.412 15.149 4.905 1.00 0.00 O ATOM 659 CB VAL A 43 3.773 14.373 5.536 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.673 13.487 6.416 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.621 13.684 4.179 1.00 0.00 C ATOM 0 H VAL A 43 1.171 13.117 5.733 1.00 0.00 H new ATOM 0 HA VAL A 43 2.650 15.302 7.061 1.00 0.00 H new ATOM 0 HB VAL A 43 4.254 15.344 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.611 13.291 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.879 13.998 7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.167 12.543 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.607 13.462 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.062 12.756 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.085 14.342 3.495 1.00 0.00 H new ATOM 671 N ASP A 44 1.949 16.784 4.953 1.00 0.00 N ATOM 672 CA ASP A 44 1.199 17.722 4.120 1.00 0.00 C ATOM 673 C ASP A 44 1.719 17.770 2.681 1.00 0.00 C ATOM 674 O ASP A 44 2.765 17.196 2.358 1.00 0.00 O ATOM 675 CB ASP A 44 1.229 19.108 4.774 1.00 0.00 C ATOM 676 CG ASP A 44 -0.061 19.854 4.466 1.00 0.00 C ATOM 677 OD1 ASP A 44 -0.149 20.429 3.362 1.00 0.00 O ATOM 678 OD2 ASP A 44 -0.970 19.821 5.328 1.00 0.00 O ATOM 0 H ASP A 44 2.852 17.146 5.259 1.00 0.00 H new ATOM 0 HA ASP A 44 0.168 17.375 4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.353 19.008 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.084 19.675 4.406 1.00 0.00 H new ATOM 683 N GLU A 45 0.993 18.443 1.789 1.00 0.00 N ATOM 684 CA GLU A 45 1.357 18.592 0.385 1.00 0.00 C ATOM 685 C GLU A 45 2.548 19.534 0.228 1.00 0.00 C ATOM 686 O GLU A 45 3.183 19.577 -0.822 1.00 0.00 O ATOM 687 CB GLU A 45 0.153 18.976 -0.481 1.00 0.00 C ATOM 688 CG GLU A 45 -0.364 20.406 -0.305 1.00 0.00 C ATOM 689 CD GLU A 45 -1.417 20.744 -1.365 1.00 0.00 C ATOM 690 OE1 GLU A 45 -1.197 20.483 -2.579 1.00 0.00 O ATOM 691 OE2 GLU A 45 -2.499 21.255 -0.992 1.00 0.00 O ATOM 0 H GLU A 45 0.118 18.908 2.030 1.00 0.00 H new ATOM 0 HA GLU A 45 1.681 17.621 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.422 18.833 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.662 18.286 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.794 20.521 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.467 21.108 -0.376 1.00 0.00 H new ATOM 698 N ASP A 46 2.903 20.251 1.284 1.00 0.00 N ATOM 699 CA ASP A 46 4.041 21.152 1.291 1.00 0.00 C ATOM 700 C ASP A 46 5.286 20.355 1.695 1.00 0.00 C ATOM 701 O ASP A 46 6.399 20.879 1.621 1.00 0.00 O ATOM 702 CB ASP A 46 3.830 22.249 2.347 1.00 0.00 C ATOM 703 CG ASP A 46 2.959 23.416 1.890 1.00 0.00 C ATOM 704 OD1 ASP A 46 1.922 23.196 1.231 1.00 0.00 O ATOM 705 OD2 ASP A 46 3.301 24.558 2.278 1.00 0.00 O ATOM 0 H ASP A 46 2.400 20.221 2.171 1.00 0.00 H new ATOM 0 HA ASP A 46 4.155 21.598 0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.378 21.800 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.803 22.636 2.648 1.00 0.00 H new ATOM 710 N LYS A 47 5.148 19.092 2.134 1.00 0.00 N ATOM 711 CA LYS A 47 6.263 18.263 2.603 1.00 0.00 C ATOM 712 C LYS A 47 6.847 17.373 1.530 1.00 0.00 C ATOM 713 O LYS A 47 7.956 16.885 1.709 1.00 0.00 O ATOM 714 CB LYS A 47 5.833 17.409 3.807 1.00 0.00 C ATOM 715 CG LYS A 47 4.946 18.143 4.822 1.00 0.00 C ATOM 716 CD LYS A 47 5.497 19.486 5.313 1.00 0.00 C ATOM 717 CE LYS A 47 4.897 19.856 6.675 1.00 0.00 C ATOM 718 NZ LYS A 47 5.649 20.952 7.319 1.00 0.00 N ATOM 0 H LYS A 47 4.247 18.616 2.172 1.00 0.00 H new ATOM 0 HA LYS A 47 7.048 18.959 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.298 16.532 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.726 17.048 4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.968 18.312 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.792 17.494 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.583 19.432 5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.269 20.265 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.856 20.154 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.900 18.981 7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.216 21.177 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.636 20.658 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.625 21.794 6.710 1.00 0.00 H new ATOM 732 N LYS A 48 6.122 17.137 0.440 1.00 0.00 N ATOM 733 CA LYS A 48 6.613 16.315 -0.665 1.00 0.00 C ATOM 734 C LYS A 48 7.817 16.997 -1.309 1.00 0.00 C ATOM 735 O LYS A 48 7.842 18.227 -1.412 1.00 0.00 O ATOM 736 CB LYS A 48 5.497 16.041 -1.681 1.00 0.00 C ATOM 737 CG LYS A 48 4.575 17.229 -1.959 1.00 0.00 C ATOM 738 CD LYS A 48 3.691 17.009 -3.190 1.00 0.00 C ATOM 739 CE LYS A 48 2.715 18.163 -3.464 1.00 0.00 C ATOM 740 NZ LYS A 48 3.368 19.480 -3.601 1.00 0.00 N ATOM 0 H LYS A 48 5.182 17.507 0.297 1.00 0.00 H new ATOM 0 HA LYS A 48 6.933 15.346 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.950 15.724 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.894 15.208 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.943 17.406 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.177 18.126 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.328 16.869 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.123 16.088 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.160 17.947 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.988 18.211 -2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.778 20.100 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.487 19.908 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.300 19.361 -4.047 1.00 0.00 H new ATOM 754 N GLY A 49 8.752 16.201 -1.827 1.00 0.00 N ATOM 755 CA GLY A 49 9.977 16.677 -2.454 1.00 0.00 C ATOM 756 C GLY A 49 9.954 16.674 -3.975 1.00 0.00 C ATOM 757 O GLY A 49 10.780 17.380 -4.554 1.00 0.00 O ATOM 0 H GLY A 49 8.673 15.184 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.175 17.692 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.807 16.057 -2.115 1.00 0.00 H new ATOM 761 N LYS A 50 9.041 15.918 -4.607 1.00 0.00 N ATOM 762 CA LYS A 50 8.815 15.733 -6.053 1.00 0.00 C ATOM 763 C LYS A 50 7.997 14.464 -6.273 1.00 0.00 C ATOM 764 O LYS A 50 8.004 13.597 -5.403 1.00 0.00 O ATOM 765 CB LYS A 50 10.143 15.608 -6.835 1.00 0.00 C ATOM 766 CG LYS A 50 11.098 14.533 -6.272 1.00 0.00 C ATOM 767 CD LYS A 50 12.354 14.356 -7.124 1.00 0.00 C ATOM 768 CE LYS A 50 13.274 13.276 -6.533 1.00 0.00 C ATOM 769 NZ LYS A 50 14.060 13.752 -5.374 1.00 0.00 N ATOM 0 H LYS A 50 8.376 15.366 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 50 8.284 16.611 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.920 15.374 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.651 16.572 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.388 14.806 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.570 13.581 -6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.072 14.082 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.892 15.302 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.671 12.421 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.956 12.925 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.660 12.979 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.659 14.550 -5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.414 14.061 -4.620 1.00 0.00 H new ATOM 783 N VAL A 51 7.284 14.330 -7.391 1.00 0.00 N ATOM 784 CA VAL A 51 6.517 13.120 -7.701 1.00 0.00 C ATOM 785 C VAL A 51 7.538 12.095 -8.207 1.00 0.00 C ATOM 786 O VAL A 51 8.595 12.459 -8.730 1.00 0.00 O ATOM 787 CB VAL A 51 5.403 13.432 -8.729 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.915 12.209 -9.517 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.167 13.986 -8.015 1.00 0.00 C ATOM 0 H VAL A 51 7.221 15.054 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 51 5.995 12.722 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 51 5.856 14.144 -9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.135 12.513 -10.215 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.749 11.776 -10.070 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.514 11.467 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.390 14.202 -8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.798 13.249 -7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.432 14.902 -7.487 1.00 0.00 H new ATOM 799 N ILE A 52 7.235 10.810 -8.046 1.00 0.00 N ATOM 800 CA ILE A 52 8.095 9.714 -8.497 1.00 0.00 C ATOM 801 C ILE A 52 7.270 8.622 -9.181 1.00 0.00 C ATOM 802 O ILE A 52 7.767 7.946 -10.075 1.00 0.00 O ATOM 803 CB ILE A 52 8.954 9.168 -7.336 1.00 0.00 C ATOM 804 CG1 ILE A 52 8.083 8.708 -6.145 1.00 0.00 C ATOM 805 CG2 ILE A 52 9.985 10.232 -6.916 1.00 0.00 C ATOM 806 CD1 ILE A 52 8.902 8.158 -4.982 1.00 0.00 C ATOM 0 H ILE A 52 6.377 10.494 -7.594 1.00 0.00 H new ATOM 0 HA ILE A 52 8.789 10.102 -9.243 1.00 0.00 H new ATOM 0 HB ILE A 52 9.488 8.283 -7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.484 9.549 -5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.387 7.941 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.592 9.847 -6.096 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.628 10.470 -7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.466 11.133 -6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.233 7.852 -4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.481 7.298 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.579 8.930 -4.617 1.00 0.00 H new ATOM 818 N GLY A 53 5.991 8.489 -8.823 1.00 0.00 N ATOM 819 CA GLY A 53 5.099 7.491 -9.393 1.00 0.00 C ATOM 820 C GLY A 53 3.710 7.675 -8.815 1.00 0.00 C ATOM 821 O GLY A 53 3.479 8.682 -8.148 1.00 0.00 O ATOM 0 H GLY A 53 5.546 9.080 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.070 7.589 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.467 6.489 -9.173 1.00 0.00 H new ATOM 825 N ALA A 54 2.778 6.759 -9.075 1.00 0.00 N ATOM 826 CA ALA A 54 1.418 6.824 -8.576 1.00 0.00 C ATOM 827 C ALA A 54 0.832 5.430 -8.366 1.00 0.00 C ATOM 828 O ALA A 54 1.099 4.528 -9.164 1.00 0.00 O ATOM 829 CB ALA A 54 0.544 7.562 -9.598 1.00 0.00 C ATOM 0 H ALA A 54 2.958 5.937 -9.651 1.00 0.00 H new ATOM 0 HA ALA A 54 1.435 7.347 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.481 7.615 -9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.929 8.571 -9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.561 7.025 -10.547 1.00 0.00 H new ATOM 835 N ILE A 55 0.123 5.230 -7.252 1.00 0.00 N ATOM 836 CA ILE A 55 -0.543 3.962 -6.970 1.00 0.00 C ATOM 837 C ILE A 55 -1.838 3.986 -7.793 1.00 0.00 C ATOM 838 O ILE A 55 -2.086 3.100 -8.596 1.00 0.00 O ATOM 839 CB ILE A 55 -0.735 3.778 -5.455 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.628 3.519 -4.785 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.703 2.639 -5.130 1.00 0.00 C ATOM 842 CD1 ILE A 55 0.523 3.452 -3.262 1.00 0.00 C ATOM 0 H ILE A 55 -0.003 5.937 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 55 0.042 3.090 -7.261 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.171 4.697 -5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.042 2.583 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.324 4.310 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.807 2.547 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.677 2.852 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.316 1.705 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.510 3.268 -2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.135 4.397 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.151 2.643 -2.979 1.00 0.00 H new ATOM 854 N GLY A 56 -2.686 5.000 -7.544 1.00 0.00 N ATOM 855 CA GLY A 56 -3.963 5.252 -8.210 1.00 0.00 C ATOM 856 C GLY A 56 -5.041 4.165 -8.122 1.00 0.00 C ATOM 857 O GLY A 56 -6.139 4.362 -8.641 1.00 0.00 O ATOM 0 H GLY A 56 -2.481 5.701 -6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.380 6.171 -7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.760 5.438 -9.265 1.00 0.00 H new ATOM 861 N GLN A 57 -4.799 3.038 -7.454 1.00 0.00 N ATOM 862 CA GLN A 57 -5.753 1.944 -7.337 1.00 0.00 C ATOM 863 C GLN A 57 -6.922 2.301 -6.405 1.00 0.00 C ATOM 864 O GLN A 57 -6.854 3.253 -5.620 1.00 0.00 O ATOM 865 CB GLN A 57 -5.014 0.673 -6.865 1.00 0.00 C ATOM 866 CG GLN A 57 -3.710 0.434 -7.655 1.00 0.00 C ATOM 867 CD GLN A 57 -3.164 -0.988 -7.559 1.00 0.00 C ATOM 868 OE1 GLN A 57 -3.907 -1.956 -7.652 1.00 0.00 O ATOM 869 NE2 GLN A 57 -1.863 -1.163 -7.424 1.00 0.00 N ATOM 0 H GLN A 57 -3.918 2.860 -6.972 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.192 1.755 -8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.783 0.761 -5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.670 -0.190 -6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.887 0.672 -8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.950 1.127 -7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.245 -0.355 -7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.475 -2.106 -7.397 1.00 0.00 H new ATOM 878 N THR A 58 -8.002 1.527 -6.482 1.00 0.00 N ATOM 879 CA THR A 58 -9.200 1.690 -5.662 1.00 0.00 C ATOM 880 C THR A 58 -9.761 0.301 -5.378 1.00 0.00 C ATOM 881 O THR A 58 -9.927 -0.489 -6.308 1.00 0.00 O ATOM 882 CB THR A 58 -10.277 2.556 -6.345 1.00 0.00 C ATOM 883 OG1 THR A 58 -9.747 3.796 -6.784 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.421 2.881 -5.371 1.00 0.00 C ATOM 0 H THR A 58 -8.070 0.747 -7.135 1.00 0.00 H new ATOM 0 HA THR A 58 -8.923 2.207 -4.743 1.00 0.00 H new ATOM 0 HB THR A 58 -10.640 1.976 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.455 4.320 -7.214 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.167 3.493 -5.878 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.882 1.954 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.025 3.427 -4.514 1.00 0.00 H new ATOM 892 N PHE A 59 -10.043 -0.011 -4.113 1.00 0.00 N ATOM 893 CA PHE A 59 -10.600 -1.296 -3.703 1.00 0.00 C ATOM 894 C PHE A 59 -11.580 -1.078 -2.532 1.00 0.00 C ATOM 895 O PHE A 59 -11.702 0.053 -2.047 1.00 0.00 O ATOM 896 CB PHE A 59 -9.466 -2.270 -3.343 1.00 0.00 C ATOM 897 CG PHE A 59 -8.429 -2.558 -4.413 1.00 0.00 C ATOM 898 CD1 PHE A 59 -8.737 -3.444 -5.463 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.133 -2.016 -4.315 1.00 0.00 C ATOM 900 CE1 PHE A 59 -7.751 -3.790 -6.400 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.131 -2.396 -5.226 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.449 -3.278 -6.275 1.00 0.00 C ATOM 0 H PHE A 59 -9.888 0.631 -3.336 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.158 -1.744 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.948 -1.876 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.917 -3.217 -3.046 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.731 -3.857 -5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.907 -1.304 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.994 -4.451 -7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.126 -2.014 -5.121 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.689 -3.563 -6.987 1.00 0.00 H new ATOM 912 N PHE A 60 -12.281 -2.119 -2.066 1.00 0.00 N ATOM 913 CA PHE A 60 -13.240 -2.071 -0.954 1.00 0.00 C ATOM 914 C PHE A 60 -13.145 -3.316 -0.075 1.00 0.00 C ATOM 915 O PHE A 60 -12.886 -4.401 -0.610 1.00 0.00 O ATOM 916 CB PHE A 60 -14.673 -2.073 -1.500 1.00 0.00 C ATOM 917 CG PHE A 60 -15.002 -0.955 -2.452 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.764 -1.082 -3.833 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.569 0.218 -1.944 1.00 0.00 C ATOM 920 CE1 PHE A 60 -15.100 -0.030 -4.701 1.00 0.00 C ATOM 921 CE2 PHE A 60 -15.950 1.242 -2.813 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.715 1.130 -4.197 1.00 0.00 C ATOM 0 H PHE A 60 -12.193 -3.053 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.007 -1.171 -0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.850 -3.022 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.364 -2.027 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.324 -1.987 -4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.712 0.332 -0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.886 -0.112 -5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.429 2.127 -2.421 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.004 1.928 -4.865 1.00 0.00 H new ATOM 932 N VAL A 61 -13.365 -3.204 1.242 1.00 0.00 N ATOM 933 CA VAL A 61 -13.338 -4.360 2.133 1.00 0.00 C ATOM 934 C VAL A 61 -14.555 -4.338 3.045 1.00 0.00 C ATOM 935 O VAL A 61 -15.234 -3.314 3.170 1.00 0.00 O ATOM 936 CB VAL A 61 -12.039 -4.523 2.943 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.810 -4.719 2.071 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.786 -3.343 3.857 1.00 0.00 C ATOM 0 H VAL A 61 -13.564 -2.320 1.710 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.369 -5.238 1.487 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.197 -5.425 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.929 -4.827 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.934 -5.616 1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.685 -3.854 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.859 -3.502 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.703 -2.433 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.613 -3.243 4.559 1.00 0.00 H new ATOM 948 N ASP A 62 -14.832 -5.480 3.658 1.00 0.00 N ATOM 949 CA ASP A 62 -15.928 -5.697 4.586 1.00 0.00 C ATOM 950 C ASP A 62 -15.423 -5.635 6.023 1.00 0.00 C ATOM 951 O ASP A 62 -14.271 -5.276 6.292 1.00 0.00 O ATOM 952 CB ASP A 62 -16.684 -6.989 4.247 1.00 0.00 C ATOM 953 CG ASP A 62 -15.862 -8.268 4.365 1.00 0.00 C ATOM 954 OD1 ASP A 62 -14.864 -8.279 5.122 1.00 0.00 O ATOM 955 OD2 ASP A 62 -16.216 -9.218 3.636 1.00 0.00 O ATOM 0 H ASP A 62 -14.271 -6.319 3.513 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.659 -4.895 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.549 -7.069 4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.065 -6.913 3.228 1.00 0.00 H new ATOM 960 N GLY A 63 -16.299 -5.951 6.969 1.00 0.00 N ATOM 961 CA GLY A 63 -15.984 -5.929 8.380 1.00 0.00 C ATOM 962 C GLY A 63 -14.970 -6.965 8.790 1.00 0.00 C ATOM 963 O GLY A 63 -14.358 -6.785 9.843 1.00 0.00 O ATOM 0 H GLY A 63 -17.259 -6.232 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.608 -4.941 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.900 -6.084 8.950 1.00 0.00 H new ATOM 967 N ASP A 64 -14.819 -8.033 8.010 1.00 0.00 N ATOM 968 CA ASP A 64 -13.830 -9.064 8.319 1.00 0.00 C ATOM 969 C ASP A 64 -12.491 -8.617 7.723 1.00 0.00 C ATOM 970 O ASP A 64 -11.422 -8.985 8.205 1.00 0.00 O ATOM 971 CB ASP A 64 -14.256 -10.434 7.793 1.00 0.00 C ATOM 972 CG ASP A 64 -13.400 -11.523 8.437 1.00 0.00 C ATOM 973 OD1 ASP A 64 -13.542 -11.727 9.666 1.00 0.00 O ATOM 974 OD2 ASP A 64 -12.640 -12.216 7.725 1.00 0.00 O ATOM 0 H ASP A 64 -15.364 -8.207 7.166 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.737 -9.179 9.399 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.309 -10.608 8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.148 -10.467 6.709 1.00 0.00 H new ATOM 979 N GLY A 65 -12.561 -7.696 6.756 1.00 0.00 N ATOM 980 CA GLY A 65 -11.460 -7.094 6.046 1.00 0.00 C ATOM 981 C GLY A 65 -11.110 -7.883 4.795 1.00 0.00 C ATOM 982 O GLY A 65 -9.928 -7.960 4.457 1.00 0.00 O ATOM 0 H GLY A 65 -13.460 -7.335 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.717 -6.071 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.589 -7.040 6.700 1.00 0.00 H new ATOM 986 N LYS A 66 -12.096 -8.531 4.166 1.00 0.00 N ATOM 987 CA LYS A 66 -11.915 -9.309 2.951 1.00 0.00 C ATOM 988 C LYS A 66 -12.082 -8.359 1.779 1.00 0.00 C ATOM 989 O LYS A 66 -12.705 -7.313 1.918 1.00 0.00 O ATOM 990 CB LYS A 66 -12.982 -10.411 2.877 1.00 0.00 C ATOM 991 CG LYS A 66 -12.776 -11.519 3.914 1.00 0.00 C ATOM 992 CD LYS A 66 -11.483 -12.303 3.649 1.00 0.00 C ATOM 993 CE LYS A 66 -11.293 -13.429 4.658 1.00 0.00 C ATOM 994 NZ LYS A 66 -12.214 -14.558 4.418 1.00 0.00 N ATOM 0 H LYS A 66 -13.060 -8.525 4.500 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.931 -9.778 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.966 -9.965 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.974 -10.850 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.740 -11.083 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.627 -12.200 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.508 -12.717 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.630 -11.626 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.264 -13.786 4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.451 -13.042 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.025 -15.313 5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.196 -14.233 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.071 -14.924 3.455 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.500 -8.686 0.633 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.569 -7.910 -0.587 1.00 0.00 C ATOM 1010 C ARG A 67 -12.917 -8.173 -1.247 1.00 0.00 C ATOM 1011 O ARG A 67 -13.158 -9.310 -1.653 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.428 -8.410 -1.502 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.261 -7.425 -1.568 1.00 0.00 C ATOM 1014 CD ARG A 67 -9.485 -6.342 -2.624 1.00 0.00 C ATOM 1015 NE ARG A 67 -9.688 -6.874 -3.971 1.00 0.00 N ATOM 1016 CZ ARG A 67 -8.781 -7.356 -4.826 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -7.610 -7.834 -4.441 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -9.079 -7.358 -6.118 1.00 0.00 N ATOM 0 H ARG A 67 -10.945 -9.536 0.529 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.467 -6.841 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.068 -9.372 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.817 -8.576 -2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.125 -6.958 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.342 -7.966 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.353 -5.746 -2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.626 -5.671 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.652 -6.878 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.365 -7.846 -3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.952 -8.191 -5.134 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.980 -6.998 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.408 -7.719 -6.796 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.771 -7.158 -1.388 1.00 0.00 N ATOM 1033 CA TRP A 68 -15.069 -7.342 -2.038 1.00 0.00 C ATOM 1034 C TRP A 68 -14.809 -7.752 -3.486 1.00 0.00 C ATOM 1035 O TRP A 68 -14.023 -7.085 -4.180 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.878 -6.043 -2.068 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.709 -5.676 -0.876 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.274 -5.435 0.380 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.164 -5.603 -0.805 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.344 -5.098 1.187 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.541 -5.245 0.522 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.206 -5.865 -1.721 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.886 -5.145 0.910 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.555 -5.822 -1.326 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -20.898 -5.461 -0.012 1.00 0.00 C ATOM 0 H TRP A 68 -13.590 -6.208 -1.064 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.631 -8.092 -1.482 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.180 -5.225 -2.247 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.543 -6.089 -2.931 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.246 -5.496 0.704 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.258 -4.781 2.153 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -18.962 -6.103 -2.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.141 -4.827 1.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.331 -6.068 -2.036 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -21.935 -5.427 0.288 1.00 0.00 H new ATOM 1056 N SER A 69 -15.418 -8.845 -3.940 1.00 0.00 N ATOM 1057 CA SER A 69 -15.253 -9.307 -5.310 1.00 0.00 C ATOM 1058 C SER A 69 -16.072 -8.393 -6.227 1.00 0.00 C ATOM 1059 O SER A 69 -17.127 -7.900 -5.826 1.00 0.00 O ATOM 1060 CB SER A 69 -15.766 -10.746 -5.450 1.00 0.00 C ATOM 1061 OG SER A 69 -15.198 -11.655 -4.521 1.00 0.00 O ATOM 0 H SER A 69 -16.033 -9.428 -3.373 1.00 0.00 H new ATOM 0 HA SER A 69 -14.197 -9.281 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 69 -16.849 -10.748 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 69 -15.558 -11.098 -6.460 1.00 0.00 H new ATOM 0 HG SER A 69 -15.572 -12.549 -4.668 1.00 0.00 H new ATOM 1067 N GLU A 70 -15.671 -8.213 -7.488 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.408 -7.370 -8.436 1.00 0.00 C ATOM 1069 C GLU A 70 -17.837 -7.892 -8.639 1.00 0.00 C ATOM 1070 O GLU A 70 -18.746 -7.132 -8.955 1.00 0.00 O ATOM 1071 CB GLU A 70 -15.658 -7.248 -9.768 1.00 0.00 C ATOM 1072 CG GLU A 70 -14.478 -6.267 -9.659 1.00 0.00 C ATOM 1073 CD GLU A 70 -13.392 -6.709 -8.677 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -13.056 -7.912 -8.633 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -12.838 -5.853 -7.944 1.00 0.00 O ATOM 0 H GLU A 70 -14.833 -8.643 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.480 -6.369 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.291 -8.228 -10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.344 -6.909 -10.544 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.032 -6.140 -10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.856 -5.292 -9.352 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.033 -9.185 -8.407 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.273 -9.939 -8.499 1.00 0.00 C ATOM 1084 C GLU A 71 -20.258 -9.412 -7.454 1.00 0.00 C ATOM 1085 O GLU A 71 -21.459 -9.329 -7.699 1.00 0.00 O ATOM 1086 CB GLU A 71 -18.917 -11.421 -8.286 1.00 0.00 C ATOM 1087 CG GLU A 71 -17.955 -11.855 -9.406 1.00 0.00 C ATOM 1088 CD GLU A 71 -17.202 -13.162 -9.201 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -17.151 -13.722 -8.081 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -16.525 -13.579 -10.171 1.00 0.00 O ATOM 0 H GLU A 71 -17.257 -9.784 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.756 -9.829 -9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.452 -11.563 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.818 -12.034 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.526 -11.934 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.222 -11.061 -9.550 1.00 0.00 H new ATOM 1097 N GLU A 72 -19.758 -9.080 -6.268 1.00 0.00 N ATOM 1098 CA GLU A 72 -20.543 -8.531 -5.170 1.00 0.00 C ATOM 1099 C GLU A 72 -20.784 -7.037 -5.427 1.00 0.00 C ATOM 1100 O GLU A 72 -21.812 -6.479 -5.047 1.00 0.00 O ATOM 1101 CB GLU A 72 -19.796 -8.747 -3.847 1.00 0.00 C ATOM 1102 CG GLU A 72 -19.563 -10.234 -3.551 1.00 0.00 C ATOM 1103 CD GLU A 72 -18.745 -10.421 -2.279 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -17.556 -10.033 -2.279 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -19.303 -10.968 -1.295 1.00 0.00 O ATOM 0 H GLU A 72 -18.770 -9.189 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.506 -9.037 -5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.837 -8.231 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.366 -8.301 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.522 -10.742 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.046 -10.698 -4.391 1.00 0.00 H new ATOM 1112 N LEU A 73 -19.830 -6.373 -6.088 1.00 0.00 N ATOM 1113 CA LEU A 73 -19.879 -4.950 -6.420 1.00 0.00 C ATOM 1114 C LEU A 73 -20.773 -4.640 -7.627 1.00 0.00 C ATOM 1115 O LEU A 73 -21.157 -3.481 -7.795 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.449 -4.416 -6.638 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.537 -4.570 -5.402 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.077 -4.258 -5.721 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -17.978 -3.643 -4.270 1.00 0.00 C ATOM 0 H LEU A 73 -18.977 -6.827 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.335 -4.437 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.998 -4.942 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.501 -3.362 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.625 -5.612 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.474 -4.380 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.719 -4.940 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.994 -3.231 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.317 -3.774 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.932 -2.608 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.000 -3.885 -3.979 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.117 -5.627 -8.460 1.00 0.00 N ATOM 1132 CA LYS A 74 -21.978 -5.452 -9.641 1.00 0.00 C ATOM 1133 C LYS A 74 -23.435 -5.816 -9.351 1.00 0.00 C ATOM 1134 O LYS A 74 -24.278 -5.607 -10.221 1.00 0.00 O ATOM 1135 CB LYS A 74 -21.435 -6.261 -10.833 1.00 0.00 C ATOM 1136 CG LYS A 74 -21.795 -7.751 -10.762 1.00 0.00 C ATOM 1137 CD LYS A 74 -20.899 -8.631 -11.627 1.00 0.00 C ATOM 1138 CE LYS A 74 -21.092 -8.416 -13.137 1.00 0.00 C ATOM 1139 NZ LYS A 74 -19.859 -7.949 -13.811 1.00 0.00 N ATOM 0 H LYS A 74 -20.801 -6.588 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.960 -4.394 -9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -21.829 -5.842 -11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.351 -6.157 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -21.729 -8.084 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.831 -7.882 -11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.858 -8.436 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.094 -9.677 -11.390 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.419 -9.350 -13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.887 -7.687 -13.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.046 -7.820 -14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.559 -7.044 -13.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.106 -8.655 -13.684 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.634 -6.104 4.113 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.302 -6.131 4.702 1.00 0.00 C ATOM 1323 C ARG A 86 -21.718 -4.728 4.572 1.00 0.00 C ATOM 1324 O ARG A 86 -22.095 -3.980 3.665 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.430 -7.192 4.009 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.470 -7.790 5.036 1.00 0.00 C ATOM 1327 CD ARG A 86 -19.681 -8.979 4.502 1.00 0.00 C ATOM 1328 NE ARG A 86 -18.920 -9.578 5.606 1.00 0.00 N ATOM 1329 CZ ARG A 86 -18.376 -10.793 5.633 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -18.370 -11.554 4.542 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -17.886 -11.239 6.779 1.00 0.00 N ATOM 0 HA ARG A 86 -22.342 -6.410 5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -22.057 -7.973 3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.872 -6.743 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.774 -7.019 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -21.036 -8.103 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.357 -9.715 4.067 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -19.006 -8.658 3.709 1.00 0.00 H new ATOM 0 HE ARG A 86 -18.795 -9.003 6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.784 -11.208 3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.951 -12.484 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.931 -10.655 7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.464 -12.166 6.827 1.00 0.00 H new ATOM 1345 N GLU A 87 -20.806 -4.341 5.457 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.174 -3.027 5.418 1.00 0.00 C ATOM 1347 C GLU A 87 -19.213 -2.958 4.228 1.00 0.00 C ATOM 1348 O GLU A 87 -18.698 -3.979 3.763 1.00 0.00 O ATOM 1349 CB GLU A 87 -19.509 -2.684 6.761 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.328 -3.584 7.137 1.00 0.00 C ATOM 1351 CD GLU A 87 -18.191 -3.775 8.653 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -19.064 -4.429 9.267 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -17.170 -3.338 9.235 1.00 0.00 O ATOM 0 H GLU A 87 -20.483 -4.931 6.224 1.00 0.00 H new ATOM 0 HA GLU A 87 -20.934 -2.260 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.165 -1.650 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.260 -2.744 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.452 -4.557 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.407 -3.152 6.744 1.00 0.00 H new ATOM 1360 N LYS A 88 -18.944 -1.746 3.740 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.062 -1.519 2.598 1.00 0.00 C ATOM 1362 C LYS A 88 -17.177 -0.315 2.875 1.00 0.00 C ATOM 1363 O LYS A 88 -17.624 0.828 2.770 1.00 0.00 O ATOM 1364 CB LYS A 88 -18.918 -1.355 1.336 1.00 0.00 C ATOM 1365 CG LYS A 88 -18.090 -1.081 0.086 1.00 0.00 C ATOM 1366 CD LYS A 88 -18.962 -0.775 -1.138 1.00 0.00 C ATOM 1367 CE LYS A 88 -19.234 -2.033 -1.959 1.00 0.00 C ATOM 1368 NZ LYS A 88 -20.415 -2.808 -1.517 1.00 0.00 N ATOM 0 H LYS A 88 -19.336 -0.889 4.130 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.399 -2.369 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.508 -2.259 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.622 -0.537 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.423 -0.240 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.461 -1.945 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -19.907 -0.340 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.467 -0.032 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.371 -1.749 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.355 -2.677 -1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.116 -3.761 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.865 -2.326 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -21.095 -2.882 -2.301 1.00 0.00 H new ATOM 1382 N LYS A 89 -15.913 -0.574 3.194 1.00 0.00 N ATOM 1383 CA LYS A 89 -14.887 0.407 3.506 1.00 0.00 C ATOM 1384 C LYS A 89 -14.110 0.722 2.228 1.00 0.00 C ATOM 1385 O LYS A 89 -13.324 -0.126 1.795 1.00 0.00 O ATOM 1386 CB LYS A 89 -13.943 -0.153 4.592 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.687 -0.764 5.786 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.729 -1.367 6.816 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.520 -2.231 7.794 1.00 0.00 C ATOM 1390 NZ LYS A 89 -15.356 -1.424 8.711 1.00 0.00 N ATOM 0 H LYS A 89 -15.560 -1.530 3.244 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.342 1.321 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.299 -0.911 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.294 0.648 4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.296 0.003 6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.369 -1.536 5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.969 -1.967 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.207 -0.574 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.157 -2.917 7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.829 -2.840 8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.256 -1.916 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.854 -1.292 9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.546 -0.496 8.281 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.338 1.865 1.566 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.615 2.231 0.360 1.00 0.00 C ATOM 1406 C PRO A 90 -12.166 2.579 0.702 1.00 0.00 C ATOM 1407 O PRO A 90 -11.884 3.273 1.681 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.348 3.441 -0.212 1.00 0.00 C ATOM 1409 CG PRO A 90 -15.024 4.079 0.998 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.251 2.919 1.957 1.00 0.00 C ATOM 0 HA PRO A 90 -13.583 1.414 -0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.657 4.134 -0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.078 3.144 -0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.395 4.848 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.964 4.557 0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -15.067 3.227 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.284 2.573 1.908 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.250 2.154 -0.161 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.814 2.341 -0.069 1.00 0.00 C ATOM 1420 C LEU A 91 -9.416 3.005 -1.384 1.00 0.00 C ATOM 1421 O LEU A 91 -9.454 2.349 -2.424 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.121 0.973 0.112 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.659 0.092 1.259 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -8.967 -1.265 1.178 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.457 0.673 2.664 1.00 0.00 C ATOM 0 H LEU A 91 -11.513 1.635 -0.999 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.519 2.953 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.210 0.416 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.058 1.145 0.280 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.738 0.023 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.331 -1.907 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.185 -1.728 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.890 -1.131 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.866 -0.015 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.392 0.815 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.969 1.632 2.738 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.132 4.312 -1.379 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.745 5.053 -2.584 1.00 0.00 C ATOM 1439 C ARG A 92 -7.296 5.459 -2.449 1.00 0.00 C ATOM 1440 O ARG A 92 -6.968 6.181 -1.505 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.590 6.315 -2.805 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.088 6.043 -2.957 1.00 0.00 C ATOM 1443 CD ARG A 92 -11.853 6.250 -1.647 1.00 0.00 C ATOM 1444 NE ARG A 92 -13.211 6.766 -1.880 1.00 0.00 N ATOM 1445 CZ ARG A 92 -13.521 8.055 -2.086 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -12.571 8.946 -2.364 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -14.783 8.453 -2.023 1.00 0.00 N ATOM 0 H ARG A 92 -9.164 4.887 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.907 4.399 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.438 6.993 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.232 6.828 -3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.499 6.701 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.236 5.020 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.912 5.305 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.304 6.946 -1.012 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.976 6.091 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.596 8.651 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.818 9.923 -2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.521 7.779 -1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.017 9.433 -2.180 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.452 4.988 -3.359 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.040 5.302 -3.346 1.00 0.00 C ATOM 1463 C TYR A 93 -4.752 6.490 -4.254 1.00 0.00 C ATOM 1464 O TYR A 93 -5.378 6.707 -5.298 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.219 4.065 -3.678 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.341 2.959 -2.643 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -3.499 2.970 -1.517 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -5.332 1.963 -2.763 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -3.669 2.017 -0.498 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -5.493 0.991 -1.757 1.00 0.00 C ATOM 1471 CZ TYR A 93 -4.657 1.015 -0.615 1.00 0.00 C ATOM 1472 OH TYR A 93 -4.804 0.103 0.386 1.00 0.00 O ATOM 0 H TYR A 93 -6.734 4.377 -4.126 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.739 5.606 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.533 3.680 -4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.171 4.349 -3.772 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.719 3.713 -1.435 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -5.972 1.946 -3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.040 2.051 0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.252 0.229 -1.856 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.660 -0.362 0.281 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.743 7.228 -3.834 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.140 8.419 -4.293 1.00 0.00 C ATOM 1484 C GLY A 94 -1.786 8.269 -4.958 1.00 0.00 C ATOM 1485 O GLY A 94 -1.220 7.175 -5.059 1.00 0.00 O ATOM 0 H GLY A 94 -3.251 6.919 -2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.818 8.896 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.033 9.097 -3.447 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.376 9.336 -5.636 1.00 0.00 N ATOM 1490 CA LYS A 95 -0.090 9.372 -6.305 1.00 0.00 C ATOM 1491 C LYS A 95 1.021 9.323 -5.222 1.00 0.00 C ATOM 1492 O LYS A 95 0.744 9.448 -4.024 1.00 0.00 O ATOM 1493 CB LYS A 95 -0.107 10.652 -7.141 1.00 0.00 C ATOM 1494 CG LYS A 95 1.151 10.945 -7.953 1.00 0.00 C ATOM 1495 CD LYS A 95 0.832 11.853 -9.150 1.00 0.00 C ATOM 1496 CE LYS A 95 -0.099 13.054 -8.906 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.394 14.037 -7.923 1.00 0.00 N ATOM 0 H LYS A 95 -1.924 10.191 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 95 0.107 8.528 -6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.953 10.602 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.287 11.494 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.896 11.423 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.586 10.010 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.775 12.233 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.387 11.236 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.265 13.564 -9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.067 12.682 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.058 14.957 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.163 13.713 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.425 14.135 -8.017 1.00 0.00 H new ATOM 1511 N VAL A 96 2.273 9.098 -5.626 1.00 0.00 N ATOM 1512 CA VAL A 96 3.413 8.977 -4.722 1.00 0.00 C ATOM 1513 C VAL A 96 4.441 10.074 -5.004 1.00 0.00 C ATOM 1514 O VAL A 96 4.657 10.504 -6.147 1.00 0.00 O ATOM 1515 CB VAL A 96 3.981 7.540 -4.811 1.00 0.00 C ATOM 1516 CG1 VAL A 96 5.130 7.266 -3.832 1.00 0.00 C ATOM 1517 CG2 VAL A 96 2.892 6.496 -4.513 1.00 0.00 C ATOM 0 H VAL A 96 2.525 8.993 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 96 3.103 9.131 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 96 4.355 7.459 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.475 6.239 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.953 7.952 -4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.780 7.412 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.319 5.495 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.501 6.655 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.083 6.597 -5.237 1.00 0.00 H new ATOM 1527 N TYR A 97 5.111 10.505 -3.939 1.00 0.00 N ATOM 1528 CA TYR A 97 6.113 11.550 -3.929 1.00 0.00 C ATOM 1529 C TYR A 97 7.361 11.083 -3.183 1.00 0.00 C ATOM 1530 O TYR A 97 7.348 10.056 -2.514 1.00 0.00 O ATOM 1531 CB TYR A 97 5.510 12.802 -3.257 1.00 0.00 C ATOM 1532 CG TYR A 97 4.078 13.118 -3.665 1.00 0.00 C ATOM 1533 CD1 TYR A 97 3.004 12.508 -2.991 1.00 0.00 C ATOM 1534 CD2 TYR A 97 3.813 14.001 -4.722 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.667 12.764 -3.340 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.486 14.215 -5.134 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.414 13.574 -4.473 1.00 0.00 C ATOM 1538 OH TYR A 97 0.159 13.715 -4.982 1.00 0.00 O ATOM 0 H TYR A 97 4.956 10.108 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 97 6.409 11.791 -4.950 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.544 12.669 -2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.138 13.661 -3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.213 11.823 -2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.624 14.514 -5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.854 12.354 -2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.284 14.876 -5.964 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.329 14.391 -4.467 1.00 0.00 H new ATOM 1548 N SER A 98 8.440 11.837 -3.324 1.00 0.00 N ATOM 1549 CA SER A 98 9.732 11.628 -2.704 1.00 0.00 C ATOM 1550 C SER A 98 9.772 12.483 -1.435 1.00 0.00 C ATOM 1551 O SER A 98 8.969 13.408 -1.270 1.00 0.00 O ATOM 1552 CB SER A 98 10.792 12.066 -3.724 1.00 0.00 C ATOM 1553 OG SER A 98 12.131 11.791 -3.376 1.00 0.00 O ATOM 0 H SER A 98 8.432 12.667 -3.916 1.00 0.00 H new ATOM 0 HA SER A 98 9.916 10.590 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.577 11.579 -4.675 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.692 13.139 -3.885 1.00 0.00 H new ATOM 0 HG SER A 98 12.657 11.644 -4.190 1.00 0.00 H new ATOM 1559 N THR A 99 10.720 12.168 -0.566 1.00 0.00 N ATOM 1560 CA THR A 99 11.007 12.804 0.710 1.00 0.00 C ATOM 1561 C THR A 99 12.113 13.857 0.533 1.00 0.00 C ATOM 1562 O THR A 99 12.685 13.996 -0.550 1.00 0.00 O ATOM 1563 CB THR A 99 11.399 11.691 1.696 1.00 0.00 C ATOM 1564 OG1 THR A 99 12.189 10.742 1.021 1.00 0.00 O ATOM 1565 CG2 THR A 99 10.170 10.971 2.258 1.00 0.00 C ATOM 0 H THR A 99 11.361 11.397 -0.751 1.00 0.00 H new ATOM 0 HA THR A 99 10.140 13.335 1.102 1.00 0.00 H new ATOM 0 HB THR A 99 11.942 12.152 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 99 11.691 9.903 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.490 10.192 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.538 11.687 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.607 10.521 1.441 1.00 0.00 H new ATOM 1669 N ASP A 107 14.667 5.238 0.233 1.00 0.00 N ATOM 1670 CA ASP A 107 14.230 4.157 1.117 1.00 0.00 C ATOM 1671 C ASP A 107 12.959 4.609 1.826 1.00 0.00 C ATOM 1672 O ASP A 107 12.333 3.847 2.549 1.00 0.00 O ATOM 1673 CB ASP A 107 15.257 3.754 2.173 1.00 0.00 C ATOM 1674 CG ASP A 107 16.550 3.163 1.624 1.00 0.00 C ATOM 1675 OD1 ASP A 107 16.524 2.151 0.884 1.00 0.00 O ATOM 1676 OD2 ASP A 107 17.617 3.689 2.017 1.00 0.00 O ATOM 0 HA ASP A 107 14.074 3.280 0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.502 4.631 2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.799 3.027 2.844 1.00 0.00 H new ATOM 1681 N GLU A 108 12.592 5.873 1.674 1.00 0.00 N ATOM 1682 CA GLU A 108 11.424 6.488 2.228 1.00 0.00 C ATOM 1683 C GLU A 108 10.884 7.330 1.083 1.00 0.00 C ATOM 1684 O GLU A 108 11.627 7.939 0.306 1.00 0.00 O ATOM 1685 CB GLU A 108 11.804 7.320 3.448 1.00 0.00 C ATOM 1686 CG GLU A 108 11.869 6.516 4.746 1.00 0.00 C ATOM 1687 CD GLU A 108 12.472 7.374 5.851 1.00 0.00 C ATOM 1688 OE1 GLU A 108 11.859 8.412 6.176 1.00 0.00 O ATOM 1689 OE2 GLU A 108 13.503 6.997 6.456 1.00 0.00 O ATOM 0 H GLU A 108 13.147 6.527 1.122 1.00 0.00 H new ATOM 0 HA GLU A 108 10.675 5.782 2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.773 7.786 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.080 8.126 3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.870 6.187 5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.470 5.619 4.600 1.00 0.00 H new ATOM 1696 N ILE A 109 9.567 7.357 1.010 1.00 0.00 N ATOM 1697 CA ILE A 109 8.761 8.058 0.015 1.00 0.00 C ATOM 1698 C ILE A 109 7.454 8.493 0.691 1.00 0.00 C ATOM 1699 O ILE A 109 7.243 8.219 1.872 1.00 0.00 O ATOM 1700 CB ILE A 109 8.551 7.127 -1.212 1.00 0.00 C ATOM 1701 CG1 ILE A 109 7.997 5.736 -0.840 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.855 6.938 -2.005 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.475 5.731 -0.764 1.00 0.00 C ATOM 0 H ILE A 109 8.989 6.859 1.686 1.00 0.00 H new ATOM 0 HA ILE A 109 9.252 8.956 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 109 7.807 7.635 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.326 5.005 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.409 5.426 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.672 6.282 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.207 7.906 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.612 6.492 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.127 4.732 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.146 6.442 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.061 6.015 -1.732 1.00 0.00 H new ATOM 1715 N ILE A 110 6.524 9.130 -0.022 1.00 0.00 N ATOM 1716 CA ILE A 110 5.256 9.592 0.530 1.00 0.00 C ATOM 1717 C ILE A 110 4.105 9.108 -0.355 1.00 0.00 C ATOM 1718 O ILE A 110 4.012 9.479 -1.524 1.00 0.00 O ATOM 1719 CB ILE A 110 5.299 11.118 0.723 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.708 11.586 1.164 1.00 0.00 C ATOM 1721 CG2 ILE A 110 4.228 11.511 1.747 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.795 13.055 1.518 1.00 0.00 C ATOM 0 H ILE A 110 6.635 9.341 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 110 5.083 9.166 1.518 1.00 0.00 H new ATOM 0 HB ILE A 110 5.089 11.614 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 110 7.020 10.997 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.415 11.375 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.245 12.591 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.246 11.211 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.430 11.011 2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.815 13.298 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.517 13.655 0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.115 13.271 2.342 1.00 0.00 H new ATOM 1734 N VAL A 111 3.263 8.230 0.183 1.00 0.00 N ATOM 1735 CA VAL A 111 2.097 7.611 -0.437 1.00 0.00 C ATOM 1736 C VAL A 111 0.825 8.365 -0.080 1.00 0.00 C ATOM 1737 O VAL A 111 0.591 8.660 1.087 1.00 0.00 O ATOM 1738 CB VAL A 111 1.935 6.190 0.146 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.636 5.491 -0.302 1.00 0.00 C ATOM 1740 CG2 VAL A 111 3.164 5.334 -0.161 1.00 0.00 C ATOM 0 H VAL A 111 3.390 7.907 1.142 1.00 0.00 H new ATOM 0 HA VAL A 111 2.244 7.611 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 111 1.853 6.306 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.585 4.497 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.223 6.078 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.626 5.403 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.028 4.338 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.294 5.258 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.048 5.795 0.279 1.00 0.00 H new ATOM 1750 N GLU A 112 0.007 8.737 -1.061 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.253 9.395 -0.744 1.00 0.00 C ATOM 1752 C GLU A 112 -2.321 8.298 -0.598 1.00 0.00 C ATOM 1753 O GLU A 112 -2.333 7.342 -1.381 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.643 10.351 -1.856 1.00 0.00 C ATOM 1755 CG GLU A 112 -3.082 10.919 -1.746 1.00 0.00 C ATOM 1756 CD GLU A 112 -3.620 11.616 -2.998 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -3.095 11.438 -4.117 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -4.704 12.238 -2.874 1.00 0.00 O ATOM 0 H GLU A 112 0.188 8.598 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.160 9.971 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.938 11.183 -1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.542 9.836 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.756 10.102 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.111 11.627 -0.918 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.242 8.448 0.351 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.337 7.532 0.598 1.00 0.00 C ATOM 1767 C PHE A 113 -5.485 8.309 1.223 1.00 0.00 C ATOM 1768 O PHE A 113 -5.242 9.214 2.016 1.00 0.00 O ATOM 1769 CB PHE A 113 -3.895 6.428 1.554 1.00 0.00 C ATOM 1770 CG PHE A 113 -4.926 5.333 1.698 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.351 4.643 0.556 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -5.480 5.006 2.944 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.316 3.636 0.638 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -6.401 3.952 3.044 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.831 3.276 1.893 1.00 0.00 C ATOM 0 H PHE A 113 -3.240 9.243 0.990 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.652 7.077 -0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.960 5.996 1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.692 6.861 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -4.926 4.894 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.198 5.564 3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.662 3.139 -0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.781 3.660 4.012 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.557 2.480 1.972 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.737 7.961 0.911 1.00 0.00 N ATOM 1786 CA ASN A 114 -7.926 8.627 1.454 1.00 0.00 C ATOM 1787 C ASN A 114 -7.798 10.161 1.394 1.00 0.00 C ATOM 1788 O ASN A 114 -8.239 10.862 2.308 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.245 8.118 2.883 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.810 6.705 2.957 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -8.456 5.929 3.829 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.763 6.337 2.115 1.00 0.00 N ATOM 0 H ASN A 114 -6.956 7.201 0.267 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.774 8.364 0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.333 8.159 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -8.958 8.802 3.344 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.191 5.415 2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.069 6.975 1.381 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.229 10.695 0.303 1.00 0.00 N ATOM 1800 CA ARG A 115 -7.012 12.123 0.040 1.00 0.00 C ATOM 1801 C ARG A 115 -5.962 12.781 0.939 1.00 0.00 C ATOM 1802 O ARG A 115 -5.896 14.010 0.970 1.00 0.00 O ATOM 1803 CB ARG A 115 -8.345 12.911 0.043 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.442 12.324 -0.869 1.00 0.00 C ATOM 1805 CD ARG A 115 -10.652 11.737 -0.131 1.00 0.00 C ATOM 1806 NE ARG A 115 -11.327 12.740 0.707 1.00 0.00 N ATOM 1807 CZ ARG A 115 -12.174 13.699 0.319 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -12.664 13.757 -0.915 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -12.523 14.615 1.205 1.00 0.00 N ATOM 0 H ARG A 115 -6.890 10.109 -0.460 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.590 12.167 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.724 12.953 1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.146 13.937 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.791 13.107 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -9.000 11.544 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.359 11.336 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -10.327 10.904 0.492 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.124 12.699 1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -12.396 13.054 -1.604 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -13.308 14.504 -1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -12.148 14.577 2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -13.167 15.360 0.941 1.00 0.00 H new ATOM 1823 N GLU A 116 -5.127 12.038 1.655 1.00 0.00 N ATOM 1824 CA GLU A 116 -4.112 12.564 2.557 1.00 0.00 C ATOM 1825 C GLU A 116 -2.773 11.933 2.212 1.00 0.00 C ATOM 1826 O GLU A 116 -2.720 10.835 1.667 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.551 12.254 3.994 1.00 0.00 C ATOM 1828 CG GLU A 116 -5.634 13.242 4.453 1.00 0.00 C ATOM 1829 CD GLU A 116 -5.095 14.655 4.702 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -3.869 14.872 4.628 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -5.885 15.562 5.039 1.00 0.00 O ATOM 0 H GLU A 116 -5.139 11.019 1.622 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.999 13.644 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.933 11.235 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.692 12.311 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.419 13.287 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.093 12.869 5.368 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.684 12.635 2.496 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.324 12.193 2.211 1.00 0.00 C ATOM 1840 C TYR A 117 0.304 11.524 3.431 1.00 0.00 C ATOM 1841 O TYR A 117 0.295 12.095 4.516 1.00 0.00 O ATOM 1842 CB TYR A 117 0.499 13.392 1.710 1.00 0.00 C ATOM 1843 CG TYR A 117 0.072 14.036 0.390 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -0.987 13.533 -0.391 1.00 0.00 C ATOM 1845 CD2 TYR A 117 0.786 15.150 -0.085 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.340 14.133 -1.609 1.00 0.00 C ATOM 1847 CE2 TYR A 117 0.472 15.727 -1.331 1.00 0.00 C ATOM 1848 CZ TYR A 117 -0.614 15.238 -2.085 1.00 0.00 C ATOM 1849 OH TYR A 117 -0.952 15.787 -3.282 1.00 0.00 O ATOM 0 H TYR A 117 -1.722 13.551 2.942 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.340 11.437 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.478 14.161 2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.535 13.070 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.537 12.670 -0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.583 15.568 0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.170 13.745 -2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 117 1.065 16.546 -1.710 1.00 0.00 H new ATOM 0 HH TYR A 117 -0.359 16.543 -3.474 1.00 0.00 H new ATOM 1859 N TYR A 118 0.900 10.342 3.252 1.00 0.00 N ATOM 1860 CA TYR A 118 1.532 9.578 4.334 1.00 0.00 C ATOM 1861 C TYR A 118 2.959 9.177 3.992 1.00 0.00 C ATOM 1862 O TYR A 118 3.220 8.587 2.943 1.00 0.00 O ATOM 1863 CB TYR A 118 0.720 8.322 4.669 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.687 8.604 5.151 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.714 8.807 4.214 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -0.967 8.676 6.530 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -3.012 9.103 4.647 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -2.270 8.972 6.971 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.292 9.213 6.026 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.542 9.559 6.444 1.00 0.00 O ATOM 0 H TYR A 118 0.959 9.883 2.343 1.00 0.00 H new ATOM 0 HA TYR A 118 1.558 10.235 5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.669 7.689 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.248 7.755 5.436 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -1.502 8.735 3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.180 8.504 7.250 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.801 9.248 3.924 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.488 9.015 8.028 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.563 9.588 7.423 1.00 0.00 H new ATOM 1880 N ARG A 119 3.914 9.570 4.833 1.00 0.00 N ATOM 1881 CA ARG A 119 5.318 9.242 4.656 1.00 0.00 C ATOM 1882 C ARG A 119 5.434 7.763 4.972 1.00 0.00 C ATOM 1883 O ARG A 119 5.019 7.317 6.048 1.00 0.00 O ATOM 1884 CB ARG A 119 6.216 10.128 5.527 1.00 0.00 C ATOM 1885 CG ARG A 119 7.706 9.878 5.233 1.00 0.00 C ATOM 1886 CD ARG A 119 8.383 8.884 6.189 1.00 0.00 C ATOM 1887 NE ARG A 119 8.507 9.434 7.553 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.439 10.295 7.979 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.544 10.522 7.278 1.00 0.00 N ATOM 1890 NH2 ARG A 119 9.247 10.936 9.119 1.00 0.00 N ATOM 0 H ARG A 119 3.727 10.131 5.664 1.00 0.00 H new ATOM 0 HA ARG A 119 5.662 9.436 3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.979 11.177 5.348 1.00 0.00 H new ATOM 0 HB3 ARG A 119 6.013 9.931 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.805 9.507 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.238 10.828 5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.806 7.960 6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.372 8.630 5.808 1.00 0.00 H new ATOM 0 HE ARG A 119 7.815 9.128 8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.696 10.036 6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.240 11.183 7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 119 8.398 10.771 9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 119 9.948 11.595 9.458 1.00 0.00 H new ATOM 1904 N ALA A 120 5.950 7.013 4.010 1.00 0.00 N ATOM 1905 CA ALA A 120 6.138 5.583 4.096 1.00 0.00 C ATOM 1906 C ALA A 120 7.630 5.248 3.995 1.00 0.00 C ATOM 1907 O ALA A 120 8.415 6.051 3.488 1.00 0.00 O ATOM 1908 CB ALA A 120 5.303 4.903 3.012 1.00 0.00 C ATOM 0 H ALA A 120 6.258 7.402 3.119 1.00 0.00 H new ATOM 0 HA ALA A 120 5.795 5.207 5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.440 3.823 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.250 5.144 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.622 5.256 2.032 1.00 0.00 H new ATOM 1914 N VAL A 121 8.011 4.034 4.383 1.00 0.00 N ATOM 1915 CA VAL A 121 9.392 3.566 4.384 1.00 0.00 C ATOM 1916 C VAL A 121 9.521 2.128 3.919 1.00 0.00 C ATOM 1917 O VAL A 121 8.686 1.286 4.224 1.00 0.00 O ATOM 1918 CB VAL A 121 9.934 3.711 5.813 1.00 0.00 C ATOM 1919 CG1 VAL A 121 9.146 2.955 6.856 1.00 0.00 C ATOM 1920 CG2 VAL A 121 11.386 3.287 5.982 1.00 0.00 C ATOM 0 H VAL A 121 7.350 3.331 4.714 1.00 0.00 H new ATOM 0 HA VAL A 121 9.967 4.168 3.680 1.00 0.00 H new ATOM 0 HB VAL A 121 9.837 4.785 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.596 3.111 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.117 3.316 6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.155 1.891 6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.686 3.422 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.493 2.238 5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.020 3.897 5.339 1.00 0.00 H new ATOM 1930 N LEU A 122 10.563 1.851 3.154 1.00 0.00 N ATOM 1931 CA LEU A 122 10.913 0.555 2.619 1.00 0.00 C ATOM 1932 C LEU A 122 11.142 -0.343 3.839 1.00 0.00 C ATOM 1933 O LEU A 122 11.877 0.025 4.757 1.00 0.00 O ATOM 1934 CB LEU A 122 12.103 0.802 1.696 1.00 0.00 C ATOM 1935 CG LEU A 122 12.511 -0.431 0.907 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.406 -0.941 -0.026 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.709 -0.064 0.042 1.00 0.00 C ATOM 0 H LEU A 122 11.226 2.574 2.875 1.00 0.00 H new ATOM 0 HA LEU A 122 10.168 0.043 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.856 1.605 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.951 1.143 2.290 1.00 0.00 H new ATOM 0 HG LEU A 122 12.732 -1.219 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.759 -1.823 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.525 -1.202 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.147 -0.162 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.021 -0.934 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.434 0.742 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.531 0.263 0.679 1.00 0.00 H new ATOM 1949 N ILE A 123 10.471 -1.496 3.884 1.00 0.00 N ATOM 1950 CA ILE A 123 10.516 -2.404 5.030 1.00 0.00 C ATOM 1951 C ILE A 123 11.758 -3.258 4.961 1.00 0.00 C ATOM 1952 O ILE A 123 12.494 -3.422 5.928 1.00 0.00 O ATOM 1953 CB ILE A 123 9.200 -3.211 5.043 1.00 0.00 C ATOM 1954 CG1 ILE A 123 8.026 -2.237 5.285 1.00 0.00 C ATOM 1955 CG2 ILE A 123 9.197 -4.304 6.123 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.678 -2.861 4.956 1.00 0.00 C ATOM 0 H ILE A 123 9.879 -1.827 3.122 1.00 0.00 H new ATOM 0 HA ILE A 123 10.585 -1.865 5.975 1.00 0.00 H new ATOM 0 HB ILE A 123 9.098 -3.711 4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.031 -1.918 6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.168 -1.343 4.677 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.250 -4.844 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.017 -4.999 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.322 -3.846 7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.886 -2.136 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.660 -3.156 3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.521 -3.739 5.582 1.00 0.00 H new