USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 499 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 71 ASN : amide:sc= -0.0695 X(o=-0.07,f=0.32) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 66 TYR OH : rot -12:sc= -1.23 USER MOD Set 2.2: A 70 SER OG : rot 101:sc= 0.779 USER MOD Set 3.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.96 K(o=-2,f=-3.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= -0.182 (180deg=-0.724) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 0.166 (180deg=-0.155) USER MOD Single : A 46 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.81 X(o=-1.8,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ -139:sc= 0.0198 (180deg=-0.398) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 75:sc= 0.00268 USER MOD ----------------------------------------------------------------- ATOM 191 N ASP A 16 -0.857 3.422 2.795 1.00 0.00 N ATOM 192 CA ASP A 16 0.584 3.489 2.582 1.00 0.00 C ATOM 193 C ASP A 16 0.996 2.648 1.378 1.00 0.00 C ATOM 194 O ASP A 16 1.607 3.151 0.435 1.00 0.00 O ATOM 195 CB ASP A 16 1.328 3.013 3.831 1.00 0.00 C ATOM 196 CG ASP A 16 0.755 3.602 5.105 1.00 0.00 C ATOM 197 OD1 ASP A 16 0.355 4.784 5.085 1.00 0.00 O ATOM 198 OD2 ASP A 16 0.708 2.880 6.123 1.00 0.00 O ATOM 0 HA ASP A 16 0.849 4.528 2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.283 1.925 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.380 3.285 3.749 1.00 0.00 H new ATOM 203 N PHE A 17 0.658 1.363 1.418 1.00 0.00 N ATOM 204 CA PHE A 17 0.994 0.450 0.331 1.00 0.00 C ATOM 205 C PHE A 17 -0.178 -0.473 0.014 1.00 0.00 C ATOM 206 O PHE A 17 -0.904 -0.903 0.910 1.00 0.00 O ATOM 207 CB PHE A 17 2.227 -0.379 0.696 1.00 0.00 C ATOM 208 CG PHE A 17 1.931 -1.507 1.644 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.218 -2.617 1.220 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.367 -1.457 2.958 1.00 0.00 C ATOM 211 CE1 PHE A 17 0.944 -3.655 2.090 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.096 -2.493 3.833 1.00 0.00 C ATOM 213 CZ PHE A 17 1.385 -3.593 3.397 1.00 0.00 C ATOM 0 H PHE A 17 0.152 0.931 2.191 1.00 0.00 H new ATOM 0 HA PHE A 17 1.214 1.045 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.664 -0.786 -0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.975 0.275 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.873 -2.671 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.925 -0.599 3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.386 -4.514 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.440 -2.442 4.855 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.174 -4.404 4.078 1.00 0.00 H new ATOM 223 N ASP A 18 -0.357 -0.772 -1.268 1.00 0.00 N ATOM 224 CA ASP A 18 -1.441 -1.645 -1.705 1.00 0.00 C ATOM 225 C ASP A 18 -0.937 -3.067 -1.929 1.00 0.00 C ATOM 226 O ASP A 18 0.185 -3.290 -2.385 1.00 0.00 O ATOM 227 CB ASP A 18 -2.072 -1.106 -2.990 1.00 0.00 C ATOM 228 CG ASP A 18 -3.207 -0.138 -2.716 1.00 0.00 C ATOM 229 OD1 ASP A 18 -2.940 0.944 -2.153 1.00 0.00 O ATOM 230 OD2 ASP A 18 -4.361 -0.463 -3.065 1.00 0.00 O ATOM 0 H ASP A 18 0.234 -0.423 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.196 -1.666 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.308 -0.606 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.445 -1.939 -3.586 1.00 0.00 H new ATOM 235 N PRO A 19 -1.784 -4.054 -1.601 1.00 0.00 N ATOM 236 CA PRO A 19 -1.446 -5.472 -1.757 1.00 0.00 C ATOM 237 C PRO A 19 -1.370 -5.892 -3.221 1.00 0.00 C ATOM 238 O PRO A 19 -0.422 -6.558 -3.637 1.00 0.00 O ATOM 239 CB PRO A 19 -2.600 -6.191 -1.054 1.00 0.00 C ATOM 240 CG PRO A 19 -3.742 -5.236 -1.126 1.00 0.00 C ATOM 241 CD PRO A 19 -3.137 -3.862 -1.052 1.00 0.00 C ATOM 0 HA PRO A 19 -0.465 -5.705 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.840 -7.132 -1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.347 -6.429 -0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.302 -5.366 -2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.440 -5.400 -0.305 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.708 -3.140 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.106 -3.491 -0.027 1.00 0.00 H new ATOM 249 N TYR A 20 -2.373 -5.497 -3.998 1.00 0.00 N ATOM 250 CA TYR A 20 -2.420 -5.834 -5.416 1.00 0.00 C ATOM 251 C TYR A 20 -1.203 -5.278 -6.149 1.00 0.00 C ATOM 252 O TYR A 20 -0.587 -5.966 -6.963 1.00 0.00 O ATOM 253 CB TYR A 20 -3.702 -5.291 -6.048 1.00 0.00 C ATOM 254 CG TYR A 20 -4.883 -6.227 -5.922 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.427 -6.527 -4.679 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.454 -6.812 -7.046 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.505 -7.383 -4.559 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.533 -7.667 -6.935 1.00 0.00 C ATOM 259 CZ TYR A 20 -7.055 -7.950 -5.690 1.00 0.00 C ATOM 260 OH TYR A 20 -8.129 -8.802 -5.575 1.00 0.00 O ATOM 0 H TYR A 20 -3.164 -4.943 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.410 -6.920 -5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.952 -4.339 -5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.520 -5.090 -7.104 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.000 -6.084 -3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.047 -6.594 -8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.915 -7.607 -3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.966 -8.112 -7.819 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.396 -9.113 -6.465 1.00 0.00 H new ATOM 270 N ARG A 21 -0.862 -4.028 -5.853 1.00 0.00 N ATOM 271 CA ARG A 21 0.280 -3.378 -6.483 1.00 0.00 C ATOM 272 C ARG A 21 1.585 -4.055 -6.074 1.00 0.00 C ATOM 273 O ARG A 21 2.447 -4.323 -6.911 1.00 0.00 O ATOM 274 CB ARG A 21 0.323 -1.896 -6.106 1.00 0.00 C ATOM 275 CG ARG A 21 -0.961 -1.149 -6.427 1.00 0.00 C ATOM 276 CD ARG A 21 -0.693 0.318 -6.726 1.00 0.00 C ATOM 277 NE ARG A 21 0.192 0.489 -7.875 1.00 0.00 N ATOM 278 CZ ARG A 21 0.390 1.654 -8.483 1.00 0.00 C ATOM 279 NH1 ARG A 21 -0.231 2.743 -8.053 1.00 0.00 N ATOM 280 NH2 ARG A 21 1.210 1.729 -9.523 1.00 0.00 N ATOM 0 H ARG A 21 -1.361 -3.445 -5.181 1.00 0.00 H new ATOM 0 HA ARG A 21 0.166 -3.468 -7.563 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.528 -1.807 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.151 -1.420 -6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.448 -1.613 -7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.650 -1.230 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.637 0.828 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.247 0.791 -5.851 1.00 0.00 H new ATOM 0 HE ARG A 21 0.685 -0.330 -8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.862 2.688 -7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.077 3.636 -8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.689 0.892 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.362 2.623 -9.989 1.00 0.00 H new ATOM 294 N VAL A 22 1.723 -4.330 -4.781 1.00 0.00 N ATOM 295 CA VAL A 22 2.922 -4.976 -4.260 1.00 0.00 C ATOM 296 C VAL A 22 3.189 -6.297 -4.975 1.00 0.00 C ATOM 297 O VAL A 22 4.292 -6.538 -5.465 1.00 0.00 O ATOM 298 CB VAL A 22 2.807 -5.238 -2.747 1.00 0.00 C ATOM 299 CG1 VAL A 22 3.922 -6.160 -2.278 1.00 0.00 C ATOM 300 CG2 VAL A 22 2.828 -3.927 -1.977 1.00 0.00 C ATOM 0 H VAL A 22 1.019 -4.115 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 22 3.753 -4.294 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 22 1.855 -5.732 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.824 -6.334 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.855 -7.111 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.887 -5.698 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.746 -4.131 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.763 -3.403 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.990 -3.306 -2.293 1.00 0.00 H new ATOM 310 N LEU A 23 2.171 -7.148 -5.031 1.00 0.00 N ATOM 311 CA LEU A 23 2.294 -8.446 -5.686 1.00 0.00 C ATOM 312 C LEU A 23 2.369 -8.285 -7.201 1.00 0.00 C ATOM 313 O LEU A 23 2.987 -9.095 -7.892 1.00 0.00 O ATOM 314 CB LEU A 23 1.111 -9.342 -5.314 1.00 0.00 C ATOM 315 CG LEU A 23 1.075 -9.841 -3.870 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.274 -10.467 -3.554 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.199 -10.837 -3.621 1.00 0.00 C ATOM 0 H LEU A 23 1.251 -6.963 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 23 3.217 -8.913 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.190 -8.794 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.114 -10.208 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 23 1.220 -8.987 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.280 -10.816 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.060 -9.725 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.450 -11.309 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.158 -11.181 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.086 -11.688 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.159 -10.355 -3.805 1.00 0.00 H new ATOM 329 N GLY A 24 1.736 -7.233 -7.712 1.00 0.00 N ATOM 330 CA GLY A 24 1.745 -6.984 -9.142 1.00 0.00 C ATOM 331 C GLY A 24 0.594 -7.665 -9.856 1.00 0.00 C ATOM 332 O GLY A 24 0.767 -8.216 -10.943 1.00 0.00 O ATOM 0 H GLY A 24 1.217 -6.549 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.695 -5.910 -9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.688 -7.334 -9.563 1.00 0.00 H new ATOM 336 N VAL A 25 -0.585 -7.629 -9.243 1.00 0.00 N ATOM 337 CA VAL A 25 -1.769 -8.248 -9.827 1.00 0.00 C ATOM 338 C VAL A 25 -2.899 -7.236 -9.979 1.00 0.00 C ATOM 339 O VAL A 25 -2.885 -6.175 -9.355 1.00 0.00 O ATOM 340 CB VAL A 25 -2.264 -9.429 -8.971 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.470 -10.688 -9.288 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.173 -9.090 -7.491 1.00 0.00 C ATOM 0 H VAL A 25 -0.746 -7.178 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.481 -8.618 -10.811 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.310 -9.617 -9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.834 -11.512 -8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.592 -10.939 -10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.415 -10.516 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.527 -9.936 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.137 -8.874 -7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.790 -8.217 -7.279 1.00 0.00 H new ATOM 352 N SER A 26 -3.879 -7.572 -10.813 1.00 0.00 N ATOM 353 CA SER A 26 -5.016 -6.691 -11.050 1.00 0.00 C ATOM 354 C SER A 26 -6.295 -7.289 -10.471 1.00 0.00 C ATOM 355 O SER A 26 -6.298 -8.415 -9.974 1.00 0.00 O ATOM 356 CB SER A 26 -5.190 -6.440 -12.549 1.00 0.00 C ATOM 357 OG SER A 26 -4.445 -5.309 -12.966 1.00 0.00 O ATOM 0 H SER A 26 -3.908 -8.448 -11.335 1.00 0.00 H new ATOM 0 HA SER A 26 -4.820 -5.742 -10.551 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.867 -7.318 -13.108 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.245 -6.288 -12.776 1.00 0.00 H new ATOM 0 HG SER A 26 -4.571 -5.171 -13.928 1.00 0.00 H new ATOM 363 N ARG A 27 -7.381 -6.525 -10.540 1.00 0.00 N ATOM 364 CA ARG A 27 -8.667 -6.977 -10.023 1.00 0.00 C ATOM 365 C ARG A 27 -9.015 -8.361 -10.563 1.00 0.00 C ATOM 366 O ARG A 27 -9.453 -9.239 -9.819 1.00 0.00 O ATOM 367 CB ARG A 27 -9.768 -5.982 -10.393 1.00 0.00 C ATOM 368 CG ARG A 27 -9.899 -5.748 -11.890 1.00 0.00 C ATOM 369 CD ARG A 27 -10.771 -4.539 -12.190 1.00 0.00 C ATOM 370 NE ARG A 27 -10.977 -4.354 -13.624 1.00 0.00 N ATOM 371 CZ ARG A 27 -10.067 -3.824 -14.434 1.00 0.00 C ATOM 372 NH1 ARG A 27 -8.897 -3.429 -13.954 1.00 0.00 N ATOM 373 NH2 ARG A 27 -10.328 -3.690 -15.728 1.00 0.00 N ATOM 0 H ARG A 27 -7.395 -5.591 -10.949 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.592 -7.038 -8.937 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.720 -6.346 -10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.566 -5.030 -9.901 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.910 -5.602 -12.325 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.327 -6.633 -12.362 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.736 -4.657 -11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.307 -3.645 -11.772 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.868 -4.648 -14.025 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.693 -3.531 -12.960 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.201 -3.023 -14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.227 -3.994 -16.101 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.629 -3.283 -16.350 1.00 0.00 H new ATOM 387 N THR A 28 -8.816 -8.550 -11.864 1.00 0.00 N ATOM 388 CA THR A 28 -9.109 -9.826 -12.505 1.00 0.00 C ATOM 389 C THR A 28 -8.420 -10.976 -11.781 1.00 0.00 C ATOM 390 O THR A 28 -8.907 -12.106 -11.786 1.00 0.00 O ATOM 391 CB THR A 28 -8.671 -9.827 -13.982 1.00 0.00 C ATOM 392 OG1 THR A 28 -8.797 -11.144 -14.529 1.00 0.00 O ATOM 393 CG2 THR A 28 -7.233 -9.350 -14.120 1.00 0.00 C ATOM 0 H THR A 28 -8.453 -7.835 -12.494 1.00 0.00 H new ATOM 0 HA THR A 28 -10.189 -9.964 -12.455 1.00 0.00 H new ATOM 0 HB THR A 28 -9.318 -9.143 -14.531 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.518 -11.136 -15.468 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.946 -9.359 -15.171 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.147 -8.336 -13.729 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.574 -10.012 -13.558 1.00 0.00 H new ATOM 401 N ALA A 29 -7.283 -10.681 -11.159 1.00 0.00 N ATOM 402 CA ALA A 29 -6.528 -11.691 -10.428 1.00 0.00 C ATOM 403 C ALA A 29 -7.310 -12.194 -9.220 1.00 0.00 C ATOM 404 O ALA A 29 -7.818 -11.404 -8.424 1.00 0.00 O ATOM 405 CB ALA A 29 -5.182 -11.130 -9.991 1.00 0.00 C ATOM 0 H ALA A 29 -6.865 -9.751 -11.147 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.358 -12.536 -11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.629 -11.895 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.612 -10.826 -10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.340 -10.267 -9.344 1.00 0.00 H new ATOM 411 N SER A 30 -7.405 -13.514 -9.090 1.00 0.00 N ATOM 412 CA SER A 30 -8.131 -14.123 -7.982 1.00 0.00 C ATOM 413 C SER A 30 -7.186 -14.917 -7.085 1.00 0.00 C ATOM 414 O SER A 30 -6.014 -15.102 -7.411 1.00 0.00 O ATOM 415 CB SER A 30 -9.239 -15.035 -8.509 1.00 0.00 C ATOM 416 OG SER A 30 -10.319 -14.279 -9.028 1.00 0.00 O ATOM 0 H SER A 30 -6.988 -14.182 -9.739 1.00 0.00 H new ATOM 0 HA SER A 30 -8.580 -13.324 -7.392 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.839 -15.685 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.596 -15.680 -7.706 1.00 0.00 H new ATOM 0 HG SER A 30 -11.013 -14.886 -9.360 1.00 0.00 H new ATOM 422 N GLN A 31 -7.706 -15.384 -5.955 1.00 0.00 N ATOM 423 CA GLN A 31 -6.909 -16.158 -5.011 1.00 0.00 C ATOM 424 C GLN A 31 -5.923 -17.063 -5.743 1.00 0.00 C ATOM 425 O GLN A 31 -4.825 -17.326 -5.254 1.00 0.00 O ATOM 426 CB GLN A 31 -7.818 -16.998 -4.111 1.00 0.00 C ATOM 427 CG GLN A 31 -8.569 -16.180 -3.073 1.00 0.00 C ATOM 428 CD GLN A 31 -7.713 -15.092 -2.455 1.00 0.00 C ATOM 429 OE1 GLN A 31 -8.097 -13.923 -2.431 1.00 0.00 O ATOM 430 NE2 GLN A 31 -6.545 -15.473 -1.951 1.00 0.00 N ATOM 0 H GLN A 31 -8.675 -15.240 -5.671 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.344 -15.459 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.538 -17.531 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.216 -17.751 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.445 -15.728 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.931 -16.842 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.267 -16.453 -1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.926 -14.785 -1.522 1.00 0.00 H new ATOM 439 N ALA A 32 -6.323 -17.536 -6.919 1.00 0.00 N ATOM 440 CA ALA A 32 -5.475 -18.410 -7.720 1.00 0.00 C ATOM 441 C ALA A 32 -4.262 -17.657 -8.255 1.00 0.00 C ATOM 442 O ALA A 32 -3.124 -17.951 -7.888 1.00 0.00 O ATOM 443 CB ALA A 32 -6.272 -19.014 -8.866 1.00 0.00 C ATOM 0 H ALA A 32 -7.229 -17.328 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.116 -19.215 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.626 -19.664 -9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.103 -19.595 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.659 -18.216 -9.500 1.00 0.00 H new ATOM 449 N ASP A 33 -4.512 -16.684 -9.125 1.00 0.00 N ATOM 450 CA ASP A 33 -3.440 -15.888 -9.711 1.00 0.00 C ATOM 451 C ASP A 33 -2.595 -15.230 -8.625 1.00 0.00 C ATOM 452 O ASP A 33 -1.370 -15.166 -8.731 1.00 0.00 O ATOM 453 CB ASP A 33 -4.019 -14.821 -10.642 1.00 0.00 C ATOM 454 CG ASP A 33 -2.995 -14.297 -11.629 1.00 0.00 C ATOM 455 OD1 ASP A 33 -2.586 -15.066 -12.525 1.00 0.00 O ATOM 456 OD2 ASP A 33 -2.603 -13.118 -11.507 1.00 0.00 O ATOM 0 H ASP A 33 -5.448 -16.428 -9.440 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.800 -16.555 -10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.865 -15.239 -11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.402 -13.993 -10.046 1.00 0.00 H new ATOM 461 N ILE A 34 -3.258 -14.741 -7.582 1.00 0.00 N ATOM 462 CA ILE A 34 -2.568 -14.088 -6.477 1.00 0.00 C ATOM 463 C ILE A 34 -1.568 -15.032 -5.819 1.00 0.00 C ATOM 464 O ILE A 34 -0.368 -14.756 -5.783 1.00 0.00 O ATOM 465 CB ILE A 34 -3.561 -13.586 -5.411 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.630 -12.702 -6.056 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.825 -12.825 -4.319 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.820 -12.442 -5.159 1.00 0.00 C ATOM 0 H ILE A 34 -4.272 -14.785 -7.479 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.036 -13.234 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.053 -14.447 -4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.181 -11.749 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.975 -13.175 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.540 -12.477 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.097 -13.483 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.310 -11.969 -4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.538 -11.809 -5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.293 -13.389 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.488 -11.941 -4.250 1.00 0.00 H new ATOM 480 N LYS A 35 -2.068 -16.148 -5.300 1.00 0.00 N ATOM 481 CA LYS A 35 -1.219 -17.136 -4.646 1.00 0.00 C ATOM 482 C LYS A 35 -0.051 -17.531 -5.544 1.00 0.00 C ATOM 483 O LYS A 35 1.096 -17.585 -5.101 1.00 0.00 O ATOM 484 CB LYS A 35 -2.036 -18.377 -4.278 1.00 0.00 C ATOM 485 CG LYS A 35 -1.239 -19.429 -3.527 1.00 0.00 C ATOM 486 CD LYS A 35 -1.957 -20.768 -3.512 1.00 0.00 C ATOM 487 CE LYS A 35 -3.275 -20.685 -2.757 1.00 0.00 C ATOM 488 NZ LYS A 35 -4.178 -21.821 -3.090 1.00 0.00 N ATOM 0 H LYS A 35 -3.058 -16.391 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.819 -16.689 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.887 -18.074 -3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.439 -18.820 -5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.260 -19.545 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.068 -19.095 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.143 -21.094 -4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.318 -21.520 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.079 -20.679 -1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.772 -19.744 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.065 -21.728 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.386 -21.812 -4.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.715 -22.718 -2.839 1.00 0.00 H new ATOM 502 N LYS A 36 -0.351 -17.804 -6.810 1.00 0.00 N ATOM 503 CA LYS A 36 0.674 -18.191 -7.772 1.00 0.00 C ATOM 504 C LYS A 36 1.623 -17.030 -8.053 1.00 0.00 C ATOM 505 O LYS A 36 2.798 -17.236 -8.357 1.00 0.00 O ATOM 506 CB LYS A 36 0.026 -18.661 -9.077 1.00 0.00 C ATOM 507 CG LYS A 36 0.939 -18.545 -10.285 1.00 0.00 C ATOM 508 CD LYS A 36 0.214 -18.913 -11.569 1.00 0.00 C ATOM 509 CE LYS A 36 1.173 -19.470 -12.610 1.00 0.00 C ATOM 510 NZ LYS A 36 1.821 -20.728 -12.150 1.00 0.00 N ATOM 0 H LYS A 36 -1.295 -17.764 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 36 1.249 -19.011 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.285 -19.700 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.876 -18.076 -9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.318 -17.526 -10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.802 -19.197 -10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.559 -19.651 -11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.288 -18.033 -11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.633 -19.658 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.939 -18.727 -12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.081 -21.306 -12.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.676 -20.499 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.159 -21.260 -11.549 1.00 0.00 H new ATOM 524 N ALA A 37 1.106 -15.810 -7.946 1.00 0.00 N ATOM 525 CA ALA A 37 1.909 -14.617 -8.185 1.00 0.00 C ATOM 526 C ALA A 37 2.875 -14.366 -7.033 1.00 0.00 C ATOM 527 O ALA A 37 4.036 -14.015 -7.248 1.00 0.00 O ATOM 528 CB ALA A 37 1.009 -13.409 -8.395 1.00 0.00 C ATOM 0 H ALA A 37 0.135 -15.622 -7.696 1.00 0.00 H new ATOM 0 HA ALA A 37 2.497 -14.779 -9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.622 -12.525 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.363 -13.582 -9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.396 -13.253 -7.507 1.00 0.00 H new ATOM 534 N TYR A 38 2.390 -14.547 -5.810 1.00 0.00 N ATOM 535 CA TYR A 38 3.210 -14.337 -4.623 1.00 0.00 C ATOM 536 C TYR A 38 4.429 -15.254 -4.634 1.00 0.00 C ATOM 537 O TYR A 38 5.570 -14.790 -4.638 1.00 0.00 O ATOM 538 CB TYR A 38 2.385 -14.582 -3.358 1.00 0.00 C ATOM 539 CG TYR A 38 3.223 -14.912 -2.143 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.807 -13.907 -1.383 1.00 0.00 C ATOM 541 CD2 TYR A 38 3.431 -16.231 -1.756 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.574 -14.204 -0.273 1.00 0.00 C ATOM 543 CE2 TYR A 38 4.195 -16.538 -0.647 1.00 0.00 C ATOM 544 CZ TYR A 38 4.765 -15.521 0.091 1.00 0.00 C ATOM 545 OH TYR A 38 5.527 -15.822 1.197 1.00 0.00 O ATOM 0 H TYR A 38 1.432 -14.839 -5.614 1.00 0.00 H new ATOM 0 HA TYR A 38 3.555 -13.303 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.787 -13.695 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.688 -15.400 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.659 -12.875 -1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.988 -17.029 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.021 -13.410 0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.345 -17.568 -0.359 1.00 0.00 H new ATOM 0 HH TYR A 38 5.561 -16.794 1.316 1.00 0.00 H new ATOM 555 N LYS A 39 4.180 -16.559 -4.639 1.00 0.00 N ATOM 556 CA LYS A 39 5.255 -17.544 -4.651 1.00 0.00 C ATOM 557 C LYS A 39 6.423 -17.063 -5.507 1.00 0.00 C ATOM 558 O LYS A 39 7.549 -16.938 -5.025 1.00 0.00 O ATOM 559 CB LYS A 39 4.740 -18.885 -5.179 1.00 0.00 C ATOM 560 CG LYS A 39 4.199 -19.798 -4.094 1.00 0.00 C ATOM 561 CD LYS A 39 2.719 -19.555 -3.847 1.00 0.00 C ATOM 562 CE LYS A 39 2.202 -20.395 -2.689 1.00 0.00 C ATOM 563 NZ LYS A 39 1.987 -21.814 -3.087 1.00 0.00 N ATOM 0 H LYS A 39 3.242 -16.959 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 39 5.606 -17.675 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.954 -18.700 -5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.549 -19.395 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.355 -20.838 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.754 -19.636 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.553 -18.499 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.155 -19.791 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.913 -20.353 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.265 -19.974 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.635 -22.354 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.290 -21.857 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.886 -22.224 -3.411 1.00 0.00 H new ATOM 577 N LYS A 40 6.148 -16.794 -6.779 1.00 0.00 N ATOM 578 CA LYS A 40 7.174 -16.325 -7.702 1.00 0.00 C ATOM 579 C LYS A 40 7.999 -15.206 -7.074 1.00 0.00 C ATOM 580 O LYS A 40 9.226 -15.292 -6.999 1.00 0.00 O ATOM 581 CB LYS A 40 6.534 -15.833 -9.002 1.00 0.00 C ATOM 582 CG LYS A 40 7.543 -15.409 -10.054 1.00 0.00 C ATOM 583 CD LYS A 40 6.860 -14.990 -11.345 1.00 0.00 C ATOM 584 CE LYS A 40 7.828 -14.290 -12.287 1.00 0.00 C ATOM 585 NZ LYS A 40 8.206 -12.939 -11.789 1.00 0.00 N ATOM 0 H LYS A 40 5.222 -16.893 -7.194 1.00 0.00 H new ATOM 0 HA LYS A 40 7.837 -17.161 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.907 -16.625 -9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.879 -14.991 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.141 -14.582 -9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.229 -16.232 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.442 -15.868 -11.838 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.027 -14.325 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.725 -14.898 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.373 -14.199 -13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.280 -12.281 -12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.480 -12.598 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.123 -12.993 -11.301 1.00 0.00 H new ATOM 599 N LEU A 41 7.320 -14.157 -6.624 1.00 0.00 N ATOM 600 CA LEU A 41 7.990 -13.021 -6.000 1.00 0.00 C ATOM 601 C LEU A 41 8.812 -13.468 -4.795 1.00 0.00 C ATOM 602 O LEU A 41 9.966 -13.071 -4.637 1.00 0.00 O ATOM 603 CB LEU A 41 6.964 -11.971 -5.571 1.00 0.00 C ATOM 604 CG LEU A 41 6.542 -10.968 -6.645 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.166 -10.399 -6.333 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.568 -9.851 -6.765 1.00 0.00 C ATOM 0 H LEU A 41 6.305 -14.069 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 41 8.665 -12.581 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.073 -12.487 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.372 -11.417 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 41 6.489 -11.489 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.882 -9.687 -7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.437 -11.208 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.192 -9.893 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.251 -9.147 -7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.654 -9.332 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.536 -10.273 -7.036 1.00 0.00 H new ATOM 618 N ALA A 42 8.209 -14.297 -3.949 1.00 0.00 N ATOM 619 CA ALA A 42 8.886 -14.801 -2.761 1.00 0.00 C ATOM 620 C ALA A 42 10.133 -15.596 -3.135 1.00 0.00 C ATOM 621 O ALA A 42 11.145 -15.546 -2.437 1.00 0.00 O ATOM 622 CB ALA A 42 7.938 -15.660 -1.938 1.00 0.00 C ATOM 0 H ALA A 42 7.253 -14.634 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 42 9.198 -13.946 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.457 -16.030 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.079 -15.063 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.598 -16.504 -2.538 1.00 0.00 H new ATOM 628 N ARG A 43 10.052 -16.330 -4.240 1.00 0.00 N ATOM 629 CA ARG A 43 11.173 -17.137 -4.706 1.00 0.00 C ATOM 630 C ARG A 43 12.282 -16.253 -5.269 1.00 0.00 C ATOM 631 O ARG A 43 13.463 -16.481 -5.007 1.00 0.00 O ATOM 632 CB ARG A 43 10.706 -18.130 -5.772 1.00 0.00 C ATOM 633 CG ARG A 43 9.763 -19.196 -5.239 1.00 0.00 C ATOM 634 CD ARG A 43 9.181 -20.038 -6.365 1.00 0.00 C ATOM 635 NE ARG A 43 8.437 -21.188 -5.860 1.00 0.00 N ATOM 636 CZ ARG A 43 8.092 -22.228 -6.611 1.00 0.00 C ATOM 637 NH1 ARG A 43 8.423 -22.261 -7.895 1.00 0.00 N ATOM 638 NH2 ARG A 43 7.415 -23.237 -6.079 1.00 0.00 N ATOM 0 H ARG A 43 9.221 -16.382 -4.829 1.00 0.00 H new ATOM 0 HA ARG A 43 11.570 -17.689 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.208 -17.583 -6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.578 -18.615 -6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.297 -19.840 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.955 -18.723 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.523 -19.421 -6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.987 -20.384 -7.013 1.00 0.00 H new ATOM 0 HE ARG A 43 8.167 -21.193 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.943 -21.487 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.157 -23.061 -8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.159 -23.215 -5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.151 -24.035 -6.657 1.00 0.00 H new ATOM 652 N GLU A 44 11.893 -15.246 -6.044 1.00 0.00 N ATOM 653 CA GLU A 44 12.855 -14.329 -6.645 1.00 0.00 C ATOM 654 C GLU A 44 13.496 -13.441 -5.583 1.00 0.00 C ATOM 655 O GLU A 44 14.718 -13.418 -5.433 1.00 0.00 O ATOM 656 CB GLU A 44 12.173 -13.464 -7.707 1.00 0.00 C ATOM 657 CG GLU A 44 12.132 -14.107 -9.083 1.00 0.00 C ATOM 658 CD GLU A 44 11.958 -13.093 -10.196 1.00 0.00 C ATOM 659 OE1 GLU A 44 10.914 -12.408 -10.216 1.00 0.00 O ATOM 660 OE2 GLU A 44 12.865 -12.985 -11.047 1.00 0.00 O ATOM 0 H GLU A 44 10.919 -15.044 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 44 13.638 -14.922 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.154 -13.247 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.696 -12.510 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.054 -14.666 -9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.313 -14.825 -9.120 1.00 0.00 H new ATOM 667 N TRP A 45 12.664 -12.710 -4.851 1.00 0.00 N ATOM 668 CA TRP A 45 13.149 -11.819 -3.803 1.00 0.00 C ATOM 669 C TRP A 45 13.395 -12.584 -2.508 1.00 0.00 C ATOM 670 O TRP A 45 13.514 -11.989 -1.436 1.00 0.00 O ATOM 671 CB TRP A 45 12.146 -10.690 -3.560 1.00 0.00 C ATOM 672 CG TRP A 45 11.854 -9.880 -4.788 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.852 -10.093 -5.690 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.574 -8.731 -5.247 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.904 -9.145 -6.683 1.00 0.00 N ATOM 676 CE2 TRP A 45 11.951 -8.297 -6.434 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.682 -8.025 -4.771 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.402 -7.191 -7.149 1.00 0.00 C ATOM 679 CZ3 TRP A 45 14.128 -6.928 -5.482 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.489 -6.519 -6.660 1.00 0.00 C ATOM 0 H TRP A 45 11.650 -12.716 -4.963 1.00 0.00 H new ATOM 0 HA TRP A 45 14.095 -11.390 -4.135 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.215 -11.115 -3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.533 -10.031 -2.782 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.125 -10.890 -5.632 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.267 -9.083 -7.477 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.181 -8.332 -3.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 11.911 -6.875 -8.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 14.984 -6.376 -5.124 1.00 0.00 H new ATOM 0 HH2 TRP A 45 13.862 -5.656 -7.192 1.00 0.00 H new ATOM 691 N HIS A 46 13.470 -13.907 -2.612 1.00 0.00 N ATOM 692 CA HIS A 46 13.703 -14.754 -1.448 1.00 0.00 C ATOM 693 C HIS A 46 14.963 -14.321 -0.704 1.00 0.00 C ATOM 694 O HIS A 46 16.046 -14.211 -1.280 1.00 0.00 O ATOM 695 CB HIS A 46 13.825 -16.218 -1.872 1.00 0.00 C ATOM 696 CG HIS A 46 13.481 -17.187 -0.783 1.00 0.00 C ATOM 697 ND1 HIS A 46 12.407 -17.017 0.065 1.00 0.00 N ATOM 698 CD2 HIS A 46 14.075 -18.344 -0.407 1.00 0.00 C ATOM 699 CE1 HIS A 46 12.356 -18.026 0.916 1.00 0.00 C ATOM 700 NE2 HIS A 46 13.357 -18.845 0.651 1.00 0.00 N ATOM 0 H HIS A 46 13.373 -14.416 -3.491 1.00 0.00 H new ATOM 0 HA HIS A 46 12.851 -14.648 -0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.171 -16.396 -2.726 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.845 -16.407 -2.207 1.00 0.00 H new ATOM 0 HD2 HIS A 46 14.950 -18.790 -0.856 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.621 -18.158 1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.564 -19.710 1.151 1.00 0.00 H new ATOM 708 N PRO A 47 14.821 -14.068 0.605 1.00 0.00 N ATOM 709 CA PRO A 47 15.937 -13.643 1.455 1.00 0.00 C ATOM 710 C PRO A 47 16.952 -14.758 1.681 1.00 0.00 C ATOM 711 O PRO A 47 18.135 -14.499 1.899 1.00 0.00 O ATOM 712 CB PRO A 47 15.255 -13.266 2.773 1.00 0.00 C ATOM 713 CG PRO A 47 13.997 -14.064 2.791 1.00 0.00 C ATOM 714 CD PRO A 47 13.560 -14.179 1.357 1.00 0.00 C ATOM 0 HA PRO A 47 16.505 -12.829 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.887 -13.505 3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.046 -12.197 2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.165 -15.048 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.233 -13.574 3.394 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.060 -15.128 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.860 -13.389 1.086 1.00 0.00 H new ATOM 722 N ASP A 48 16.481 -16.000 1.627 1.00 0.00 N ATOM 723 CA ASP A 48 17.349 -17.155 1.823 1.00 0.00 C ATOM 724 C ASP A 48 18.371 -17.265 0.697 1.00 0.00 C ATOM 725 O ASP A 48 19.507 -17.688 0.913 1.00 0.00 O ATOM 726 CB ASP A 48 16.517 -18.437 1.901 1.00 0.00 C ATOM 727 CG ASP A 48 17.374 -19.673 2.090 1.00 0.00 C ATOM 728 OD1 ASP A 48 17.978 -19.815 3.174 1.00 0.00 O ATOM 729 OD2 ASP A 48 17.442 -20.497 1.154 1.00 0.00 O ATOM 0 H ASP A 48 15.504 -16.232 1.449 1.00 0.00 H new ATOM 0 HA ASP A 48 17.885 -17.020 2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.811 -18.358 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.930 -18.542 0.989 1.00 0.00 H new ATOM 734 N LYS A 49 17.960 -16.884 -0.508 1.00 0.00 N ATOM 735 CA LYS A 49 18.839 -16.939 -1.670 1.00 0.00 C ATOM 736 C LYS A 49 19.539 -15.601 -1.886 1.00 0.00 C ATOM 737 O LYS A 49 20.658 -15.551 -2.396 1.00 0.00 O ATOM 738 CB LYS A 49 18.042 -17.317 -2.920 1.00 0.00 C ATOM 739 CG LYS A 49 18.910 -17.782 -4.077 1.00 0.00 C ATOM 740 CD LYS A 49 18.073 -18.140 -5.293 1.00 0.00 C ATOM 741 CE LYS A 49 17.590 -16.896 -6.023 1.00 0.00 C ATOM 742 NZ LYS A 49 16.419 -17.185 -6.897 1.00 0.00 N ATOM 0 H LYS A 49 17.023 -16.533 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 49 19.597 -17.700 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.336 -18.108 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.455 -16.456 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.618 -16.996 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.495 -18.649 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.662 -18.756 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.215 -18.737 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.320 -16.130 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.402 -16.491 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.120 -16.312 -7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.683 -17.897 -7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.635 -17.548 -6.318 1.00 0.00 H new ATOM 756 N ASN A 50 18.874 -14.519 -1.494 1.00 0.00 N ATOM 757 CA ASN A 50 19.434 -13.181 -1.644 1.00 0.00 C ATOM 758 C ASN A 50 20.429 -12.879 -0.528 1.00 0.00 C ATOM 759 O ASN A 50 20.050 -12.720 0.632 1.00 0.00 O ATOM 760 CB ASN A 50 18.317 -12.136 -1.643 1.00 0.00 C ATOM 761 CG ASN A 50 17.758 -11.885 -3.030 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.494 -11.882 -4.017 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.450 -11.673 -3.112 1.00 0.00 N ATOM 0 H ASN A 50 17.947 -14.543 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 50 19.961 -13.139 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.514 -12.468 -0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.699 -11.201 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.017 -11.499 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.878 -11.684 -2.268 1.00 0.00 H new ATOM 770 N LYS A 51 21.706 -12.801 -0.888 1.00 0.00 N ATOM 771 CA LYS A 51 22.758 -12.516 0.081 1.00 0.00 C ATOM 772 C LYS A 51 22.971 -11.013 0.227 1.00 0.00 C ATOM 773 O LYS A 51 23.455 -10.542 1.257 1.00 0.00 O ATOM 774 CB LYS A 51 24.066 -13.189 -0.342 1.00 0.00 C ATOM 775 CG LYS A 51 24.236 -14.592 0.212 1.00 0.00 C ATOM 776 CD LYS A 51 23.252 -15.564 -0.419 1.00 0.00 C ATOM 777 CE LYS A 51 21.957 -15.640 0.376 1.00 0.00 C ATOM 778 NZ LYS A 51 22.161 -16.273 1.709 1.00 0.00 N ATOM 0 H LYS A 51 22.037 -12.931 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 51 22.446 -12.916 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.108 -13.230 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.904 -12.574 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 51 25.255 -14.935 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 51 24.092 -14.577 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 51 23.035 -15.252 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.703 -16.554 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.553 -14.636 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.218 -16.210 -0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.367 -16.912 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.049 -16.815 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.210 -15.535 2.440 1.00 0.00 H new ATOM 792 N ASP A 52 22.605 -10.265 -0.808 1.00 0.00 N ATOM 793 CA ASP A 52 22.754 -8.815 -0.793 1.00 0.00 C ATOM 794 C ASP A 52 21.861 -8.187 0.272 1.00 0.00 C ATOM 795 O ASP A 52 20.726 -8.610 0.493 1.00 0.00 O ATOM 796 CB ASP A 52 22.416 -8.232 -2.167 1.00 0.00 C ATOM 797 CG ASP A 52 23.596 -8.270 -3.118 1.00 0.00 C ATOM 798 OD1 ASP A 52 24.618 -7.615 -2.822 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.498 -8.955 -4.157 1.00 0.00 O ATOM 0 H ASP A 52 22.203 -10.639 -1.668 1.00 0.00 H new ATOM 0 HA ASP A 52 23.792 -8.584 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.586 -8.789 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.081 -7.201 -2.049 1.00 0.00 H new ATOM 804 N PRO A 53 22.384 -7.155 0.951 1.00 0.00 N ATOM 805 CA PRO A 53 21.651 -6.448 2.005 1.00 0.00 C ATOM 806 C PRO A 53 20.492 -5.625 1.454 1.00 0.00 C ATOM 807 O PRO A 53 20.693 -4.700 0.668 1.00 0.00 O ATOM 808 CB PRO A 53 22.712 -5.532 2.621 1.00 0.00 C ATOM 809 CG PRO A 53 23.708 -5.322 1.534 1.00 0.00 C ATOM 810 CD PRO A 53 23.731 -6.599 0.740 1.00 0.00 C ATOM 0 HA PRO A 53 21.196 -7.137 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.278 -4.587 2.948 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.172 -5.991 3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.427 -4.477 0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.693 -5.100 1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 53 23.928 -6.412 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.506 -7.278 1.094 1.00 0.00 H new ATOM 818 N GLY A 54 19.277 -5.968 1.871 1.00 0.00 N ATOM 819 CA GLY A 54 18.104 -5.250 1.408 1.00 0.00 C ATOM 820 C GLY A 54 17.019 -6.179 0.899 1.00 0.00 C ATOM 821 O GLY A 54 15.845 -6.012 1.229 1.00 0.00 O ATOM 0 H GLY A 54 19.084 -6.730 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.707 -4.645 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.393 -4.563 0.612 1.00 0.00 H new ATOM 825 N ALA A 55 17.412 -7.159 0.093 1.00 0.00 N ATOM 826 CA ALA A 55 16.464 -8.118 -0.462 1.00 0.00 C ATOM 827 C ALA A 55 15.381 -8.469 0.552 1.00 0.00 C ATOM 828 O ALA A 55 14.205 -8.577 0.205 1.00 0.00 O ATOM 829 CB ALA A 55 17.191 -9.375 -0.917 1.00 0.00 C ATOM 0 H ALA A 55 18.380 -7.310 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 55 15.982 -7.658 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.471 -10.082 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.923 -9.115 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.700 -9.829 -0.067 1.00 0.00 H new ATOM 835 N GLU A 56 15.785 -8.646 1.806 1.00 0.00 N ATOM 836 CA GLU A 56 14.848 -8.986 2.869 1.00 0.00 C ATOM 837 C GLU A 56 13.722 -7.960 2.951 1.00 0.00 C ATOM 838 O GLU A 56 12.543 -8.309 2.886 1.00 0.00 O ATOM 839 CB GLU A 56 15.575 -9.070 4.213 1.00 0.00 C ATOM 840 CG GLU A 56 14.703 -9.587 5.346 1.00 0.00 C ATOM 841 CD GLU A 56 15.515 -10.120 6.510 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.563 -9.521 6.827 1.00 0.00 O ATOM 843 OE2 GLU A 56 15.101 -11.138 7.104 1.00 0.00 O ATOM 0 H GLU A 56 16.755 -8.559 2.110 1.00 0.00 H new ATOM 0 HA GLU A 56 14.414 -9.959 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.442 -9.721 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.949 -8.081 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.056 -8.783 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.054 -10.377 4.969 1.00 0.00 H new ATOM 850 N ASP A 57 14.094 -6.693 3.095 1.00 0.00 N ATOM 851 CA ASP A 57 13.116 -5.614 3.185 1.00 0.00 C ATOM 852 C ASP A 57 11.976 -5.830 2.195 1.00 0.00 C ATOM 853 O ASP A 57 10.817 -5.967 2.588 1.00 0.00 O ATOM 854 CB ASP A 57 13.788 -4.265 2.923 1.00 0.00 C ATOM 855 CG ASP A 57 12.783 -3.146 2.735 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.301 -2.967 1.597 1.00 0.00 O ATOM 857 OD2 ASP A 57 12.480 -2.447 3.725 1.00 0.00 O ATOM 0 H ASP A 57 15.065 -6.387 3.152 1.00 0.00 H new ATOM 0 HA ASP A 57 12.702 -5.615 4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.446 -4.022 3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.414 -4.341 2.034 1.00 0.00 H new ATOM 862 N ARG A 58 12.313 -5.858 0.910 1.00 0.00 N ATOM 863 CA ARG A 58 11.317 -6.055 -0.137 1.00 0.00 C ATOM 864 C ARG A 58 10.496 -7.314 0.124 1.00 0.00 C ATOM 865 O ARG A 58 9.267 -7.293 0.049 1.00 0.00 O ATOM 866 CB ARG A 58 11.995 -6.149 -1.505 1.00 0.00 C ATOM 867 CG ARG A 58 11.022 -6.354 -2.654 1.00 0.00 C ATOM 868 CD ARG A 58 10.143 -5.132 -2.865 1.00 0.00 C ATOM 869 NE ARG A 58 10.820 -4.099 -3.645 1.00 0.00 N ATOM 870 CZ ARG A 58 11.575 -3.148 -3.107 1.00 0.00 C ATOM 871 NH1 ARG A 58 11.749 -3.099 -1.793 1.00 0.00 N ATOM 872 NH2 ARG A 58 12.158 -2.243 -3.883 1.00 0.00 N ATOM 0 H ARG A 58 13.268 -5.747 0.569 1.00 0.00 H new ATOM 0 HA ARG A 58 10.645 -5.196 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.566 -5.237 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.708 -6.974 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.576 -6.567 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.396 -7.223 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.226 -5.429 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.852 -4.723 -1.897 1.00 0.00 H new ATOM 0 HE ARG A 58 10.707 -4.109 -4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.302 -3.793 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.329 -2.368 -1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.026 -2.277 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.738 -1.513 -3.469 1.00 0.00 H new ATOM 886 N PHE A 59 11.183 -8.410 0.429 1.00 0.00 N ATOM 887 CA PHE A 59 10.518 -9.679 0.699 1.00 0.00 C ATOM 888 C PHE A 59 9.409 -9.503 1.732 1.00 0.00 C ATOM 889 O PHE A 59 8.315 -10.049 1.583 1.00 0.00 O ATOM 890 CB PHE A 59 11.530 -10.715 1.193 1.00 0.00 C ATOM 891 CG PHE A 59 10.894 -11.932 1.802 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.557 -13.020 1.014 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.633 -11.987 3.162 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.972 -14.142 1.571 1.00 0.00 C ATOM 895 CE2 PHE A 59 10.049 -13.106 3.724 1.00 0.00 C ATOM 896 CZ PHE A 59 9.717 -14.184 2.928 1.00 0.00 C ATOM 0 H PHE A 59 12.200 -8.445 0.495 1.00 0.00 H new ATOM 0 HA PHE A 59 10.072 -10.031 -0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.159 -11.023 0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.184 -10.249 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.753 -12.992 -0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.889 -11.146 3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.715 -14.984 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.852 -13.137 4.785 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.259 -15.059 3.365 1.00 0.00 H new ATOM 906 N ILE A 60 9.699 -8.737 2.779 1.00 0.00 N ATOM 907 CA ILE A 60 8.727 -8.488 3.836 1.00 0.00 C ATOM 908 C ILE A 60 7.446 -7.882 3.273 1.00 0.00 C ATOM 909 O ILE A 60 6.344 -8.236 3.693 1.00 0.00 O ATOM 910 CB ILE A 60 9.296 -7.547 4.914 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.567 -8.143 5.523 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.256 -7.288 5.993 1.00 0.00 C ATOM 913 CD1 ILE A 60 11.426 -7.126 6.241 1.00 0.00 C ATOM 0 H ILE A 60 10.599 -8.278 2.917 1.00 0.00 H new ATOM 0 HA ILE A 60 8.501 -9.453 4.290 1.00 0.00 H new ATOM 0 HB ILE A 60 9.551 -6.596 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.290 -8.932 6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.155 -8.610 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.673 -6.621 6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.376 -6.825 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.973 -8.232 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 60 12.310 -7.618 6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.733 -6.350 5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.855 -6.676 7.053 1.00 0.00 H new ATOM 925 N GLN A 61 7.598 -6.970 2.319 1.00 0.00 N ATOM 926 CA GLN A 61 6.453 -6.316 1.697 1.00 0.00 C ATOM 927 C GLN A 61 5.602 -7.322 0.929 1.00 0.00 C ATOM 928 O GLN A 61 4.374 -7.312 1.024 1.00 0.00 O ATOM 929 CB GLN A 61 6.922 -5.204 0.757 1.00 0.00 C ATOM 930 CG GLN A 61 7.244 -3.900 1.469 1.00 0.00 C ATOM 931 CD GLN A 61 7.500 -2.757 0.507 1.00 0.00 C ATOM 932 OE1 GLN A 61 8.269 -2.893 -0.445 1.00 0.00 O ATOM 933 NE2 GLN A 61 6.857 -1.622 0.751 1.00 0.00 N ATOM 0 H GLN A 61 8.503 -6.667 1.960 1.00 0.00 H new ATOM 0 HA GLN A 61 5.842 -5.880 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.808 -5.543 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.148 -5.020 0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.417 -3.637 2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.121 -4.042 2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.229 -1.554 1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.991 -0.818 0.138 1.00 0.00 H new ATOM 942 N ILE A 62 6.262 -8.189 0.169 1.00 0.00 N ATOM 943 CA ILE A 62 5.566 -9.202 -0.614 1.00 0.00 C ATOM 944 C ILE A 62 4.724 -10.106 0.280 1.00 0.00 C ATOM 945 O ILE A 62 3.557 -10.370 -0.009 1.00 0.00 O ATOM 946 CB ILE A 62 6.553 -10.069 -1.418 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.349 -9.202 -2.395 1.00 0.00 C ATOM 948 CG2 ILE A 62 5.809 -11.168 -2.162 1.00 0.00 C ATOM 949 CD1 ILE A 62 8.724 -9.750 -2.707 1.00 0.00 C ATOM 0 H ILE A 62 7.278 -8.210 0.079 1.00 0.00 H new ATOM 0 HA ILE A 62 4.913 -8.671 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 62 7.252 -10.536 -0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.786 -9.105 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.452 -8.200 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.520 -11.772 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.283 -11.800 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.090 -10.720 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.231 -9.084 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.305 -9.821 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.629 -10.740 -3.153 1.00 0.00 H new ATOM 961 N SER A 63 5.324 -10.577 1.369 1.00 0.00 N ATOM 962 CA SER A 63 4.631 -11.454 2.305 1.00 0.00 C ATOM 963 C SER A 63 3.501 -10.710 3.010 1.00 0.00 C ATOM 964 O SER A 63 2.387 -11.220 3.134 1.00 0.00 O ATOM 965 CB SER A 63 5.613 -12.011 3.338 1.00 0.00 C ATOM 966 OG SER A 63 5.096 -13.177 3.955 1.00 0.00 O ATOM 0 H SER A 63 6.289 -10.366 1.624 1.00 0.00 H new ATOM 0 HA SER A 63 4.202 -12.281 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.562 -12.242 2.855 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.817 -11.254 4.096 1.00 0.00 H new ATOM 0 HG SER A 63 5.742 -13.515 4.610 1.00 0.00 H new ATOM 972 N LYS A 64 3.796 -9.499 3.471 1.00 0.00 N ATOM 973 CA LYS A 64 2.806 -8.682 4.164 1.00 0.00 C ATOM 974 C LYS A 64 1.651 -8.322 3.234 1.00 0.00 C ATOM 975 O LYS A 64 0.505 -8.213 3.668 1.00 0.00 O ATOM 976 CB LYS A 64 3.457 -7.406 4.704 1.00 0.00 C ATOM 977 CG LYS A 64 4.298 -7.632 5.948 1.00 0.00 C ATOM 978 CD LYS A 64 3.438 -8.023 7.139 1.00 0.00 C ATOM 979 CE LYS A 64 4.257 -8.091 8.419 1.00 0.00 C ATOM 980 NZ LYS A 64 3.547 -8.841 9.492 1.00 0.00 N ATOM 0 H LYS A 64 4.713 -9.061 3.377 1.00 0.00 H new ATOM 0 HA LYS A 64 2.411 -9.262 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.084 -6.971 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.678 -6.678 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.032 -8.415 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.854 -6.724 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.631 -7.300 7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.973 -8.991 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.214 -8.570 8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.475 -7.081 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.138 -8.865 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.645 -8.369 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.362 -9.813 9.172 1.00 0.00 H new ATOM 994 N ALA A 65 1.962 -8.140 1.955 1.00 0.00 N ATOM 995 CA ALA A 65 0.949 -7.797 0.965 1.00 0.00 C ATOM 996 C ALA A 65 -0.005 -8.963 0.727 1.00 0.00 C ATOM 997 O ALA A 65 -1.220 -8.820 0.862 1.00 0.00 O ATOM 998 CB ALA A 65 1.608 -7.377 -0.341 1.00 0.00 C ATOM 0 H ALA A 65 2.907 -8.224 1.580 1.00 0.00 H new ATOM 0 HA ALA A 65 0.368 -6.960 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.840 -7.124 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.242 -6.508 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.215 -8.198 -0.723 1.00 0.00 H new ATOM 1004 N TYR A 66 0.554 -10.115 0.373 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.248 -11.305 0.114 1.00 0.00 C ATOM 1006 C TYR A 66 -1.013 -11.729 1.364 1.00 0.00 C ATOM 1007 O TYR A 66 -2.191 -12.077 1.295 1.00 0.00 O ATOM 1008 CB TYR A 66 0.644 -12.451 -0.366 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.121 -13.709 -0.713 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.374 -13.641 -1.308 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.410 -14.964 -0.445 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -2.077 -14.787 -1.627 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.285 -16.116 -0.761 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.528 -16.022 -1.351 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.224 -17.166 -1.667 1.00 0.00 O ATOM 0 H TYR A 66 1.559 -10.250 0.259 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.970 -11.064 -0.666 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.203 -12.123 -1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.374 -12.682 0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.807 -12.676 -1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.383 -15.041 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.050 -14.716 -2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.143 -17.084 -0.547 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.148 -16.934 -1.895 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.332 -11.697 2.506 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.947 -12.079 3.771 1.00 0.00 C ATOM 1027 C GLU A 67 -2.382 -11.566 3.856 1.00 0.00 C ATOM 1028 O GLU A 67 -3.296 -12.307 4.218 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.130 -11.534 4.945 1.00 0.00 C ATOM 1030 CG GLU A 67 1.036 -12.425 5.340 1.00 0.00 C ATOM 1031 CD GLU A 67 0.606 -13.611 6.181 1.00 0.00 C ATOM 1032 OE1 GLU A 67 -0.595 -13.955 6.150 1.00 0.00 O ATOM 1033 OE2 GLU A 67 1.468 -14.195 6.869 1.00 0.00 O ATOM 0 H GLU A 67 0.644 -11.411 2.580 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.965 -13.168 3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.250 -10.546 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.787 -11.406 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.535 -12.785 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.766 -11.836 5.895 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.571 -10.295 3.518 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.894 -9.684 3.555 1.00 0.00 C ATOM 1042 C ILE A 68 -4.876 -10.446 2.672 1.00 0.00 C ATOM 1043 O ILE A 68 -5.914 -10.915 3.141 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.847 -8.213 3.101 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.946 -7.398 4.030 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.250 -7.625 3.065 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.366 -6.162 3.378 1.00 0.00 C ATOM 0 H ILE A 68 -1.825 -9.668 3.216 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.232 -9.726 4.590 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.431 -8.172 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.518 -7.101 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.131 -8.031 4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.200 -6.585 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.865 -8.193 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.691 -7.675 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.738 -5.633 4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.766 -6.453 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.175 -5.508 3.053 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.542 -10.567 1.393 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.394 -11.275 0.443 1.00 0.00 C ATOM 1061 C LEU A 69 -5.474 -12.759 0.785 1.00 0.00 C ATOM 1062 O LEU A 69 -6.545 -13.276 1.104 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.863 -11.096 -0.980 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.627 -9.654 -1.432 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.585 -9.605 -2.539 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.931 -9.021 -1.896 1.00 0.00 C ATOM 0 H LEU A 69 -3.687 -10.184 0.989 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.396 -10.852 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.923 -11.641 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.567 -11.561 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.251 -9.084 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.430 -8.571 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.645 -10.019 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.931 -10.190 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.745 -7.995 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.336 -9.592 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.648 -9.022 -1.075 1.00 0.00 H new ATOM 1078 N SER A 70 -4.334 -13.439 0.718 1.00 0.00 N ATOM 1079 CA SER A 70 -4.276 -14.865 1.019 1.00 0.00 C ATOM 1080 C SER A 70 -5.257 -15.226 2.131 1.00 0.00 C ATOM 1081 O SER A 70 -5.944 -16.244 2.060 1.00 0.00 O ATOM 1082 CB SER A 70 -2.856 -15.264 1.426 1.00 0.00 C ATOM 1083 OG SER A 70 -2.707 -16.673 1.440 1.00 0.00 O ATOM 0 H SER A 70 -3.438 -13.026 0.458 1.00 0.00 H new ATOM 0 HA SER A 70 -4.556 -15.413 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.139 -14.826 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.631 -14.861 2.414 1.00 0.00 H new ATOM 0 HG SER A 70 -2.256 -16.962 0.620 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.315 -14.383 3.157 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.211 -14.613 4.285 1.00 0.00 C ATOM 1091 C ASN A 71 -7.636 -14.193 3.941 1.00 0.00 C ATOM 1092 O ASN A 71 -7.864 -13.099 3.426 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.723 -13.845 5.515 1.00 0.00 C ATOM 1094 CG ASN A 71 -4.754 -14.654 6.355 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -3.538 -14.554 6.190 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -5.291 -15.462 7.262 1.00 0.00 N ATOM 0 H ASN A 71 -4.753 -13.535 3.231 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.209 -15.680 4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.239 -12.922 5.195 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.580 -13.561 6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.690 -16.032 7.857 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.305 -15.512 7.364 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.592 -15.070 4.231 1.00 0.00 N ATOM 1104 CA GLU A 72 -9.996 -14.789 3.953 1.00 0.00 C ATOM 1105 C GLU A 72 -10.458 -13.538 4.694 1.00 0.00 C ATOM 1106 O GLU A 72 -10.901 -12.569 4.079 1.00 0.00 O ATOM 1107 CB GLU A 72 -10.866 -15.982 4.352 1.00 0.00 C ATOM 1108 CG GLU A 72 -10.870 -17.103 3.326 1.00 0.00 C ATOM 1109 CD GLU A 72 -12.005 -18.087 3.540 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.175 -17.651 3.539 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.722 -19.291 3.710 1.00 0.00 O ATOM 0 H GLU A 72 -8.420 -15.980 4.658 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.100 -14.615 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.514 -16.375 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.889 -15.639 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.949 -16.675 2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.920 -17.635 3.371 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.351 -13.569 6.019 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.760 -12.438 6.844 1.00 0.00 C ATOM 1120 C GLU A 73 -10.139 -11.140 6.334 1.00 0.00 C ATOM 1121 O GLU A 73 -10.842 -10.242 5.871 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.357 -12.670 8.302 1.00 0.00 C ATOM 1123 CG GLU A 73 -11.160 -11.845 9.293 1.00 0.00 C ATOM 1124 CD GLU A 73 -11.203 -12.471 10.674 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -11.758 -13.583 10.803 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -10.682 -11.851 11.624 1.00 0.00 O ATOM 0 H GLU A 73 -9.985 -14.364 6.543 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.845 -12.350 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.478 -13.727 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.299 -12.435 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.727 -10.847 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.177 -11.726 8.920 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.817 -11.049 6.422 1.00 0.00 N ATOM 1134 CA LYS A 74 -8.099 -9.863 5.970 1.00 0.00 C ATOM 1135 C LYS A 74 -8.574 -9.434 4.586 1.00 0.00 C ATOM 1136 O LYS A 74 -8.979 -8.289 4.385 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.593 -10.132 5.943 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.948 -10.123 7.318 1.00 0.00 C ATOM 1139 CD LYS A 74 -6.033 -11.486 7.983 1.00 0.00 C ATOM 1140 CE LYS A 74 -5.205 -11.536 9.258 1.00 0.00 C ATOM 1141 NZ LYS A 74 -4.870 -12.934 9.647 1.00 0.00 N ATOM 0 H LYS A 74 -8.220 -11.783 6.803 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.305 -9.055 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.414 -11.099 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.109 -9.380 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.903 -9.825 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.439 -9.380 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.073 -11.715 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.684 -12.252 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.285 -10.968 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.755 -11.056 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.305 -12.926 10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.747 -13.469 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.323 -13.385 8.886 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.525 -10.361 3.634 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.951 -10.078 2.269 1.00 0.00 C ATOM 1157 C ARG A 75 -10.239 -9.261 2.260 1.00 0.00 C ATOM 1158 O ARG A 75 -10.308 -8.197 1.645 1.00 0.00 O ATOM 1159 CB ARG A 75 -9.156 -11.382 1.496 1.00 0.00 C ATOM 1160 CG ARG A 75 -9.462 -11.174 0.022 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.894 -12.471 -0.646 1.00 0.00 C ATOM 1162 NE ARG A 75 -11.336 -12.680 -0.553 1.00 0.00 N ATOM 1163 CZ ARG A 75 -12.225 -11.992 -1.260 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.822 -11.055 -2.107 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -13.521 -12.241 -1.121 1.00 0.00 N ATOM 0 H ARG A 75 -8.194 -11.314 3.783 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.168 -9.495 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.259 -11.995 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.973 -11.941 1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.250 -10.428 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.579 -10.780 -0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.597 -12.455 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.375 -13.309 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.679 -13.393 0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.827 -10.861 -2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.507 -10.528 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.835 -12.961 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.203 -11.712 -1.664 1.00 0.00 H new ATOM 1179 N THR A 76 -11.260 -9.766 2.947 1.00 0.00 N ATOM 1180 CA THR A 76 -12.546 -9.085 3.016 1.00 0.00 C ATOM 1181 C THR A 76 -12.427 -7.761 3.762 1.00 0.00 C ATOM 1182 O THR A 76 -12.888 -6.725 3.284 1.00 0.00 O ATOM 1183 CB THR A 76 -13.607 -9.959 3.711 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.739 -11.209 3.025 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.953 -9.250 3.746 1.00 0.00 C ATOM 0 H THR A 76 -11.220 -10.645 3.463 1.00 0.00 H new ATOM 0 HA THR A 76 -12.859 -8.894 1.989 1.00 0.00 H new ATOM 0 HB THR A 76 -13.282 -10.140 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.969 -11.779 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.687 -9.886 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.856 -8.313 4.294 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.282 -9.042 2.728 1.00 0.00 H new