USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 493 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 73 SER OG : rot 123:sc= -1.68! USER MOD Set 1.2: A 86 SER OG : rot -10:sc= -1.15 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 45 MET CE :methyl -117:sc= -3.19! (180deg=-4.67) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.988 USER MOD Single : A 67 GLN : amide:sc= -0.964 K(o=-0.96,f=-5.5!) USER MOD Single : A 69 GLN : amide:sc= -3.06! C(o=-3.1!,f=-12!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00422 USER MOD Single : A 72 TYR OH : rot -22:sc= 1.31 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N LEU A 13 -5.321 3.870 -0.763 1.00 0.00 N ATOM 149 CA LEU A 13 -4.458 2.695 -0.821 1.00 0.00 C ATOM 150 C LEU A 13 -5.191 1.511 -1.444 1.00 0.00 C ATOM 151 O LEU A 13 -6.034 0.882 -0.804 1.00 0.00 O ATOM 152 CB LEU A 13 -3.971 2.327 0.582 1.00 0.00 C ATOM 153 CG LEU A 13 -2.672 1.523 0.652 1.00 0.00 C ATOM 154 CD1 LEU A 13 -2.355 1.146 2.091 1.00 0.00 C ATOM 155 CD2 LEU A 13 -2.768 0.278 -0.219 1.00 0.00 C ATOM 0 HA LEU A 13 -3.598 2.936 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.837 3.247 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.755 1.756 1.079 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.861 2.145 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.427 0.574 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.243 2.051 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.167 0.542 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.835 -0.282 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.590 -0.347 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.948 0.571 -1.253 1.00 0.00 H new ATOM 167 N VAL A 14 -4.863 1.211 -2.697 1.00 0.00 N ATOM 168 CA VAL A 14 -5.487 0.101 -3.406 1.00 0.00 C ATOM 169 C VAL A 14 -4.535 -1.085 -3.517 1.00 0.00 C ATOM 170 O VAL A 14 -3.495 -1.000 -4.171 1.00 0.00 O ATOM 171 CB VAL A 14 -5.937 0.519 -4.818 1.00 0.00 C ATOM 172 CG1 VAL A 14 -6.542 -0.665 -5.558 1.00 0.00 C ATOM 173 CG2 VAL A 14 -6.924 1.673 -4.743 1.00 0.00 C ATOM 0 H VAL A 14 -4.168 1.722 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.362 -0.193 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.062 0.856 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.854 -0.351 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.799 -1.458 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.406 -1.035 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.231 1.955 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.799 1.367 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.451 2.526 -4.256 1.00 0.00 H new ATOM 183 N VAL A 15 -4.898 -2.191 -2.875 1.00 0.00 N ATOM 184 CA VAL A 15 -4.077 -3.395 -2.904 1.00 0.00 C ATOM 185 C VAL A 15 -4.666 -4.440 -3.845 1.00 0.00 C ATOM 186 O VAL A 15 -5.849 -4.392 -4.178 1.00 0.00 O ATOM 187 CB VAL A 15 -3.932 -4.009 -1.498 1.00 0.00 C ATOM 188 CG1 VAL A 15 -3.228 -3.039 -0.562 1.00 0.00 C ATOM 189 CG2 VAL A 15 -5.294 -4.402 -0.947 1.00 0.00 C ATOM 0 H VAL A 15 -5.755 -2.278 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.093 -3.098 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.322 -4.909 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.135 -3.490 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.236 -2.812 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.808 -2.119 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.174 -4.834 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.930 -3.519 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.756 -5.135 -1.608 1.00 0.00 H new ATOM 199 N GLU A 16 -3.832 -5.385 -4.268 1.00 0.00 N ATOM 200 CA GLU A 16 -4.271 -6.442 -5.172 1.00 0.00 C ATOM 201 C GLU A 16 -3.713 -7.794 -4.739 1.00 0.00 C ATOM 202 O GLU A 16 -2.501 -8.007 -4.688 1.00 0.00 O ATOM 203 CB GLU A 16 -3.834 -6.132 -6.605 1.00 0.00 C ATOM 204 CG GLU A 16 -4.449 -4.862 -7.168 1.00 0.00 C ATOM 205 CD GLU A 16 -4.076 -4.627 -8.619 1.00 0.00 C ATOM 206 OE1 GLU A 16 -4.263 -5.552 -9.437 1.00 0.00 O ATOM 207 OE2 GLU A 16 -3.596 -3.519 -8.936 1.00 0.00 O ATOM 0 H GLU A 16 -2.850 -5.440 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.359 -6.489 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.748 -6.043 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.102 -6.971 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.534 -4.918 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.125 -4.010 -6.571 1.00 0.00 H new ATOM 214 N PRO A 17 -4.617 -8.732 -4.418 1.00 0.00 N ATOM 215 CA PRO A 17 -6.062 -8.490 -4.473 1.00 0.00 C ATOM 216 C PRO A 17 -6.530 -7.526 -3.388 1.00 0.00 C ATOM 217 O PRO A 17 -5.842 -7.321 -2.389 1.00 0.00 O ATOM 218 CB PRO A 17 -6.663 -9.880 -4.250 1.00 0.00 C ATOM 219 CG PRO A 17 -5.621 -10.625 -3.490 1.00 0.00 C ATOM 220 CD PRO A 17 -4.299 -10.099 -3.975 1.00 0.00 C ATOM 0 HA PRO A 17 -6.362 -8.027 -5.413 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.596 -9.823 -3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.889 -10.370 -5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.734 -10.468 -2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.702 -11.698 -3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.551 -10.101 -3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.901 -10.703 -4.790 1.00 0.00 H new ATOM 228 N GLU A 18 -7.706 -6.939 -3.592 1.00 0.00 N ATOM 229 CA GLU A 18 -8.265 -5.997 -2.630 1.00 0.00 C ATOM 230 C GLU A 18 -8.484 -6.667 -1.276 1.00 0.00 C ATOM 231 O GLU A 18 -8.766 -6.002 -0.280 1.00 0.00 O ATOM 232 CB GLU A 18 -9.587 -5.427 -3.149 1.00 0.00 C ATOM 233 CG GLU A 18 -10.575 -6.492 -3.596 1.00 0.00 C ATOM 234 CD GLU A 18 -12.008 -5.997 -3.590 1.00 0.00 C ATOM 235 OE1 GLU A 18 -12.424 -5.400 -2.575 1.00 0.00 O ATOM 236 OE2 GLU A 18 -12.713 -6.207 -4.599 1.00 0.00 O ATOM 0 H GLU A 18 -8.289 -7.099 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.552 -5.183 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.046 -4.824 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.382 -4.760 -3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.314 -6.826 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.491 -7.359 -2.940 1.00 0.00 H new ATOM 243 N GLY A 19 -8.353 -7.990 -1.249 1.00 0.00 N ATOM 244 CA GLY A 19 -8.541 -8.729 -0.014 1.00 0.00 C ATOM 245 C GLY A 19 -7.359 -8.597 0.926 1.00 0.00 C ATOM 246 O GLY A 19 -7.504 -8.732 2.140 1.00 0.00 O ATOM 0 H GLY A 19 -8.120 -8.563 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.441 -8.371 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.702 -9.782 -0.245 1.00 0.00 H new ATOM 250 N GLY A 20 -6.183 -8.334 0.363 1.00 0.00 N ATOM 251 CA GLY A 20 -4.988 -8.190 1.174 1.00 0.00 C ATOM 252 C GLY A 20 -4.407 -9.526 1.592 1.00 0.00 C ATOM 253 O GLY A 20 -3.682 -9.612 2.582 1.00 0.00 O ATOM 0 H GLY A 20 -6.037 -8.218 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.238 -7.630 0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.224 -7.606 2.063 1.00 0.00 H new ATOM 257 N ALA A 21 -4.727 -10.571 0.836 1.00 0.00 N ATOM 258 CA ALA A 21 -4.231 -11.909 1.133 1.00 0.00 C ATOM 259 C ALA A 21 -3.868 -12.657 -0.145 1.00 0.00 C ATOM 260 O ALA A 21 -4.591 -12.595 -1.139 1.00 0.00 O ATOM 261 CB ALA A 21 -5.266 -12.692 1.928 1.00 0.00 C ATOM 0 H ALA A 21 -5.328 -10.517 0.013 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.327 -11.808 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.882 -13.689 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.474 -12.174 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.185 -12.774 1.347 1.00 0.00 H new ATOM 267 N VAL A 22 -2.741 -13.362 -0.113 1.00 0.00 N ATOM 268 CA VAL A 22 -2.282 -14.122 -1.270 1.00 0.00 C ATOM 269 C VAL A 22 -1.443 -15.321 -0.841 1.00 0.00 C ATOM 270 O VAL A 22 -0.749 -15.275 0.174 1.00 0.00 O ATOM 271 CB VAL A 22 -1.453 -13.244 -2.225 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.264 -12.043 -2.687 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.162 -12.799 -1.554 1.00 0.00 C ATOM 0 H VAL A 22 -2.129 -13.423 0.701 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.172 -14.473 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.195 -13.837 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.661 -11.434 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.157 -12.386 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.555 -11.446 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.412 -12.179 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.397 -12.224 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.426 -13.675 -1.279 1.00 0.00 H new ATOM 283 N ALA A 23 -1.511 -16.393 -1.624 1.00 0.00 N ATOM 284 CA ALA A 23 -0.755 -17.604 -1.327 1.00 0.00 C ATOM 285 C ALA A 23 0.715 -17.286 -1.076 1.00 0.00 C ATOM 286 O ALA A 23 1.212 -16.215 -1.424 1.00 0.00 O ATOM 287 CB ALA A 23 -0.894 -18.604 -2.465 1.00 0.00 C ATOM 0 H ALA A 23 -2.081 -16.448 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.164 -18.045 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.325 -19.503 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.945 -18.863 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.512 -18.163 -3.386 1.00 0.00 H new ATOM 293 N PRO A 24 1.429 -18.237 -0.456 1.00 0.00 N ATOM 294 CA PRO A 24 2.853 -18.080 -0.144 1.00 0.00 C ATOM 295 C PRO A 24 3.726 -18.102 -1.394 1.00 0.00 C ATOM 296 O PRO A 24 4.208 -19.155 -1.808 1.00 0.00 O ATOM 297 CB PRO A 24 3.157 -19.291 0.742 1.00 0.00 C ATOM 298 CG PRO A 24 2.141 -20.309 0.355 1.00 0.00 C ATOM 299 CD PRO A 24 0.902 -19.538 -0.012 1.00 0.00 C ATOM 0 HA PRO A 24 3.063 -17.122 0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.169 -19.659 0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.080 -19.037 1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.490 -20.909 -0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.944 -20.996 1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.339 -20.034 -0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.229 -19.430 0.839 1.00 0.00 H new ATOM 307 N GLY A 25 3.927 -16.931 -1.990 1.00 0.00 N ATOM 308 CA GLY A 25 4.742 -16.838 -3.187 1.00 0.00 C ATOM 309 C GLY A 25 4.019 -16.154 -4.330 1.00 0.00 C ATOM 310 O GLY A 25 4.437 -16.248 -5.483 1.00 0.00 O ATOM 0 H GLY A 25 3.540 -16.045 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.656 -16.289 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.041 -17.839 -3.498 1.00 0.00 H new ATOM 314 N GLY A 26 2.929 -15.464 -4.010 1.00 0.00 N ATOM 315 CA GLY A 26 2.162 -14.773 -5.030 1.00 0.00 C ATOM 316 C GLY A 26 2.757 -13.426 -5.390 1.00 0.00 C ATOM 317 O GLY A 26 3.956 -13.203 -5.222 1.00 0.00 O ATOM 0 H GLY A 26 2.563 -15.371 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.110 -15.394 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.140 -14.633 -4.679 1.00 0.00 H new ATOM 321 N THR A 27 1.918 -12.524 -5.890 1.00 0.00 N ATOM 322 CA THR A 27 2.368 -11.194 -6.278 1.00 0.00 C ATOM 323 C THR A 27 1.307 -10.143 -5.972 1.00 0.00 C ATOM 324 O THR A 27 0.277 -10.072 -6.643 1.00 0.00 O ATOM 325 CB THR A 27 2.716 -11.133 -7.778 1.00 0.00 C ATOM 326 OG1 THR A 27 3.568 -12.229 -8.127 1.00 0.00 O ATOM 327 CG2 THR A 27 3.403 -9.820 -8.121 1.00 0.00 C ATOM 0 H THR A 27 0.922 -12.691 -6.036 1.00 0.00 H new ATOM 0 HA THR A 27 3.265 -10.982 -5.695 1.00 0.00 H new ATOM 0 HB THR A 27 1.789 -11.198 -8.347 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.784 -12.184 -9.082 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.639 -9.800 -9.185 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.740 -8.989 -7.881 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.323 -9.729 -7.544 1.00 0.00 H new ATOM 335 N VAL A 28 1.564 -9.327 -4.954 1.00 0.00 N ATOM 336 CA VAL A 28 0.632 -8.278 -4.560 1.00 0.00 C ATOM 337 C VAL A 28 1.110 -6.911 -5.035 1.00 0.00 C ATOM 338 O VAL A 28 2.305 -6.615 -5.010 1.00 0.00 O ATOM 339 CB VAL A 28 0.441 -8.242 -3.032 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.520 -7.130 -2.640 1.00 0.00 C ATOM 341 CG2 VAL A 28 -0.052 -9.588 -2.525 1.00 0.00 C ATOM 0 H VAL A 28 2.411 -9.373 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.323 -8.509 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 28 1.405 -8.036 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.643 -7.120 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.120 -6.171 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.487 -7.301 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.181 -9.544 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.006 -9.827 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.677 -10.359 -2.772 1.00 0.00 H new ATOM 351 N THR A 29 0.168 -6.078 -5.467 1.00 0.00 N ATOM 352 CA THR A 29 0.493 -4.741 -5.948 1.00 0.00 C ATOM 353 C THR A 29 -0.210 -3.673 -5.119 1.00 0.00 C ATOM 354 O THR A 29 -1.439 -3.642 -5.041 1.00 0.00 O ATOM 355 CB THR A 29 0.102 -4.566 -7.428 1.00 0.00 C ATOM 356 OG1 THR A 29 0.828 -5.496 -8.240 1.00 0.00 O ATOM 357 CG2 THR A 29 0.384 -3.147 -7.898 1.00 0.00 C ATOM 0 H THR A 29 -0.826 -6.306 -5.494 1.00 0.00 H new ATOM 0 HA THR A 29 1.572 -4.623 -5.848 1.00 0.00 H new ATOM 0 HB THR A 29 -0.967 -4.758 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.573 -5.379 -9.179 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.100 -3.048 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.192 -2.443 -7.297 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.447 -2.932 -7.788 1.00 0.00 H new ATOM 365 N LEU A 30 0.576 -2.797 -4.502 1.00 0.00 N ATOM 366 CA LEU A 30 0.028 -1.725 -3.679 1.00 0.00 C ATOM 367 C LEU A 30 0.087 -0.389 -4.413 1.00 0.00 C ATOM 368 O LEU A 30 1.143 0.239 -4.498 1.00 0.00 O ATOM 369 CB LEU A 30 0.793 -1.628 -2.358 1.00 0.00 C ATOM 370 CG LEU A 30 0.592 -2.786 -1.379 1.00 0.00 C ATOM 371 CD1 LEU A 30 1.631 -3.871 -1.615 1.00 0.00 C ATOM 372 CD2 LEU A 30 0.655 -2.287 0.057 1.00 0.00 C ATOM 0 H LEU A 30 1.594 -2.808 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.016 -1.958 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.857 -1.549 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.502 -0.703 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.395 -3.215 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.472 -4.686 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.538 -4.249 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.629 -3.456 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.510 -3.124 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.628 -1.832 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.128 -1.546 0.220 1.00 0.00 H new ATOM 384 N THR A 31 -1.054 0.042 -4.941 1.00 0.00 N ATOM 385 CA THR A 31 -1.132 1.303 -5.668 1.00 0.00 C ATOM 386 C THR A 31 -1.715 2.406 -4.792 1.00 0.00 C ATOM 387 O THR A 31 -2.746 2.219 -4.145 1.00 0.00 O ATOM 388 CB THR A 31 -1.989 1.166 -6.940 1.00 0.00 C ATOM 389 OG1 THR A 31 -1.620 -0.018 -7.655 1.00 0.00 O ATOM 390 CG2 THR A 31 -1.819 2.381 -7.840 1.00 0.00 C ATOM 0 H THR A 31 -1.937 -0.464 -4.879 1.00 0.00 H new ATOM 0 HA THR A 31 -0.114 1.568 -5.952 1.00 0.00 H new ATOM 0 HB THR A 31 -3.035 1.098 -6.641 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.171 -0.098 -8.461 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.434 2.262 -8.732 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.129 3.278 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.773 2.475 -8.130 1.00 0.00 H new ATOM 398 N CYS A 32 -1.050 3.556 -4.776 1.00 0.00 N ATOM 399 CA CYS A 32 -1.502 4.691 -3.980 1.00 0.00 C ATOM 400 C CYS A 32 -1.524 5.968 -4.816 1.00 0.00 C ATOM 401 O CYS A 32 -0.509 6.652 -4.947 1.00 0.00 O ATOM 402 CB CYS A 32 -0.595 4.880 -2.763 1.00 0.00 C ATOM 403 SG CYS A 32 -1.069 6.276 -1.693 1.00 0.00 S ATOM 0 H CYS A 32 -0.195 3.727 -5.306 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.517 4.483 -3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.602 3.964 -2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.429 5.030 -3.106 1.00 0.00 H new ATOM 519 N GLN A 41 4.587 12.403 -3.934 1.00 0.00 N ATOM 520 CA GLN A 41 5.716 11.657 -3.392 1.00 0.00 C ATOM 521 C GLN A 41 5.242 10.398 -2.673 1.00 0.00 C ATOM 522 O GLN A 41 4.875 10.444 -1.498 1.00 0.00 O ATOM 523 CB GLN A 41 6.521 12.534 -2.432 1.00 0.00 C ATOM 524 CG GLN A 41 7.988 12.146 -2.337 1.00 0.00 C ATOM 525 CD GLN A 41 8.820 12.730 -3.462 1.00 0.00 C ATOM 526 OE1 GLN A 41 8.926 12.145 -4.540 1.00 0.00 O ATOM 527 NE2 GLN A 41 9.416 13.891 -3.216 1.00 0.00 N ATOM 0 HA GLN A 41 6.355 11.360 -4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.449 13.573 -2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.074 12.477 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.388 12.484 -1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.074 11.060 -2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.301 14.341 -2.308 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.989 14.333 -3.935 1.00 0.00 H new ATOM 536 N ILE A 42 5.250 9.277 -3.385 1.00 0.00 N ATOM 537 CA ILE A 42 4.821 8.006 -2.814 1.00 0.00 C ATOM 538 C ILE A 42 5.938 7.366 -1.997 1.00 0.00 C ATOM 539 O ILE A 42 7.068 7.229 -2.468 1.00 0.00 O ATOM 540 CB ILE A 42 4.372 7.020 -3.909 1.00 0.00 C ATOM 541 CG1 ILE A 42 3.430 7.714 -4.895 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.695 5.809 -3.285 1.00 0.00 C ATOM 543 CD1 ILE A 42 2.154 8.220 -4.259 1.00 0.00 C ATOM 0 H ILE A 42 5.549 9.222 -4.359 1.00 0.00 H new ATOM 0 HA ILE A 42 3.975 8.222 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 42 5.252 6.679 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.953 8.552 -5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.176 7.017 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.383 5.121 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.394 5.305 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.822 6.132 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.535 8.700 -5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.609 7.383 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.397 8.941 -3.479 1.00 0.00 H new ATOM 555 N HIS A 43 5.615 6.973 -0.769 1.00 0.00 N ATOM 556 CA HIS A 43 6.590 6.344 0.114 1.00 0.00 C ATOM 557 C HIS A 43 5.981 5.141 0.828 1.00 0.00 C ATOM 558 O HIS A 43 4.916 5.242 1.436 1.00 0.00 O ATOM 559 CB HIS A 43 7.106 7.353 1.141 1.00 0.00 C ATOM 560 CG HIS A 43 8.317 8.106 0.684 1.00 0.00 C ATOM 561 ND1 HIS A 43 8.266 9.406 0.226 1.00 0.00 N ATOM 562 CD2 HIS A 43 9.617 7.736 0.618 1.00 0.00 C ATOM 563 CE1 HIS A 43 9.482 9.802 -0.103 1.00 0.00 C ATOM 564 NE2 HIS A 43 10.321 8.807 0.125 1.00 0.00 N ATOM 0 H HIS A 43 4.685 7.079 -0.363 1.00 0.00 H new ATOM 0 HA HIS A 43 7.425 5.998 -0.496 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.312 8.063 1.371 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.342 6.828 2.067 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.025 6.777 0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.746 10.774 -0.492 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.328 8.831 -0.039 1.00 0.00 H new ATOM 573 N TRP A 44 6.663 4.004 0.748 1.00 0.00 N ATOM 574 CA TRP A 44 6.187 2.781 1.386 1.00 0.00 C ATOM 575 C TRP A 44 6.915 2.537 2.703 1.00 0.00 C ATOM 576 O TRP A 44 8.135 2.676 2.784 1.00 0.00 O ATOM 577 CB TRP A 44 6.382 1.586 0.452 1.00 0.00 C ATOM 578 CG TRP A 44 5.655 1.725 -0.851 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.199 2.040 -2.064 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.250 1.557 -1.071 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.217 2.077 -3.024 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.013 1.783 -2.441 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.171 1.235 -0.245 1.00 0.00 C ATOM 584 CZ2 TRP A 44 2.740 1.699 -3.000 1.00 0.00 C ATOM 585 CZ3 TRP A 44 1.908 1.151 -0.801 1.00 0.00 C ATOM 586 CH2 TRP A 44 1.702 1.382 -2.167 1.00 0.00 C ATOM 0 H TRP A 44 7.546 3.903 0.248 1.00 0.00 H new ATOM 0 HA TRP A 44 5.124 2.899 1.596 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.446 1.459 0.254 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.041 0.681 0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.247 2.232 -2.242 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.361 2.289 -4.011 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.321 1.055 0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.578 1.878 -4.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.066 0.903 -0.172 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.703 1.308 -2.571 1.00 0.00 H new ATOM 597 N MET A 45 6.158 2.171 3.733 1.00 0.00 N ATOM 598 CA MET A 45 6.732 1.906 5.047 1.00 0.00 C ATOM 599 C MET A 45 6.238 0.571 5.596 1.00 0.00 C ATOM 600 O MET A 45 5.114 0.152 5.321 1.00 0.00 O ATOM 601 CB MET A 45 6.379 3.033 6.019 1.00 0.00 C ATOM 602 CG MET A 45 6.909 4.392 5.591 1.00 0.00 C ATOM 603 SD MET A 45 6.832 5.615 6.914 1.00 0.00 S ATOM 604 CE MET A 45 7.926 4.874 8.124 1.00 0.00 C ATOM 0 H MET A 45 5.146 2.051 3.683 1.00 0.00 H new ATOM 0 HA MET A 45 7.816 1.856 4.939 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.295 3.090 6.119 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.777 2.790 7.004 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.942 4.287 5.258 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.334 4.750 4.737 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.363 4.638 9.027 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.355 3.959 7.715 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.726 5.573 8.367 1.00 0.00 H new ATOM 614 N LYS A 46 7.086 -0.093 6.375 1.00 0.00 N ATOM 615 CA LYS A 46 6.736 -1.380 6.965 1.00 0.00 C ATOM 616 C LYS A 46 6.842 -1.328 8.485 1.00 0.00 C ATOM 617 O LYS A 46 7.939 -1.253 9.038 1.00 0.00 O ATOM 618 CB LYS A 46 7.647 -2.480 6.416 1.00 0.00 C ATOM 619 CG LYS A 46 7.300 -3.868 6.927 1.00 0.00 C ATOM 620 CD LYS A 46 7.764 -4.948 5.964 1.00 0.00 C ATOM 621 CE LYS A 46 7.437 -6.338 6.487 1.00 0.00 C ATOM 622 NZ LYS A 46 8.371 -6.759 7.568 1.00 0.00 N ATOM 0 H LYS A 46 8.021 0.239 6.612 1.00 0.00 H new ATOM 0 HA LYS A 46 5.703 -1.606 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.590 -2.478 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.679 -2.252 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.763 -4.024 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.222 -3.945 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.288 -4.802 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.839 -4.860 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.415 -6.352 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.484 -7.055 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.114 -7.712 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.344 -6.770 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.308 -6.090 8.362 1.00 0.00 H new ATOM 636 N ASP A 47 5.696 -1.370 9.156 1.00 0.00 N ATOM 637 CA ASP A 47 5.660 -1.331 10.613 1.00 0.00 C ATOM 638 C ASP A 47 6.224 -0.013 11.135 1.00 0.00 C ATOM 639 O ASP A 47 6.917 0.018 12.151 1.00 0.00 O ATOM 640 CB ASP A 47 6.450 -2.504 11.196 1.00 0.00 C ATOM 641 CG ASP A 47 6.160 -2.723 12.667 1.00 0.00 C ATOM 642 OD1 ASP A 47 5.037 -3.160 12.992 1.00 0.00 O ATOM 643 OD2 ASP A 47 7.057 -2.456 13.495 1.00 0.00 O ATOM 0 H ASP A 47 4.779 -1.431 8.713 1.00 0.00 H new ATOM 0 HA ASP A 47 4.620 -1.411 10.928 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.209 -3.411 10.642 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.516 -2.322 11.062 1.00 0.00 H new ATOM 648 N GLY A 48 5.922 1.074 10.431 1.00 0.00 N ATOM 649 CA GLY A 48 6.407 2.380 10.838 1.00 0.00 C ATOM 650 C GLY A 48 7.892 2.552 10.583 1.00 0.00 C ATOM 651 O GLY A 48 8.581 3.247 11.330 1.00 0.00 O ATOM 0 H GLY A 48 5.350 1.073 9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.857 3.152 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.204 2.525 11.899 1.00 0.00 H new ATOM 655 N VAL A 49 8.386 1.916 9.525 1.00 0.00 N ATOM 656 CA VAL A 49 9.798 2.002 9.173 1.00 0.00 C ATOM 657 C VAL A 49 9.983 2.107 7.664 1.00 0.00 C ATOM 658 O VAL A 49 9.464 1.300 6.892 1.00 0.00 O ATOM 659 CB VAL A 49 10.581 0.780 9.691 1.00 0.00 C ATOM 660 CG1 VAL A 49 12.011 0.804 9.175 1.00 0.00 C ATOM 661 CG2 VAL A 49 10.555 0.737 11.212 1.00 0.00 C ATOM 0 H VAL A 49 7.829 1.336 8.897 1.00 0.00 H new ATOM 0 HA VAL A 49 10.188 2.903 9.647 1.00 0.00 H new ATOM 0 HB VAL A 49 10.100 -0.124 9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.548 -0.067 9.551 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.005 0.784 8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.506 1.712 9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.113 -0.132 11.561 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.011 1.644 11.609 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.523 0.668 11.556 1.00 0.00 H new ATOM 671 N PRO A 50 10.741 3.125 7.230 1.00 0.00 N ATOM 672 CA PRO A 50 11.013 3.360 5.809 1.00 0.00 C ATOM 673 C PRO A 50 11.927 2.296 5.210 1.00 0.00 C ATOM 674 O PRO A 50 13.113 2.227 5.535 1.00 0.00 O ATOM 675 CB PRO A 50 11.706 4.725 5.801 1.00 0.00 C ATOM 676 CG PRO A 50 12.317 4.848 7.154 1.00 0.00 C ATOM 677 CD PRO A 50 11.391 4.125 8.094 1.00 0.00 C ATOM 0 HA PRO A 50 10.104 3.325 5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.463 4.780 5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.994 5.529 5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.314 4.408 7.173 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.425 5.894 7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.936 3.655 8.913 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.664 4.802 8.542 1.00 0.00 H new ATOM 685 N LEU A 51 11.369 1.469 4.334 1.00 0.00 N ATOM 686 CA LEU A 51 12.134 0.407 3.688 1.00 0.00 C ATOM 687 C LEU A 51 12.965 0.960 2.535 1.00 0.00 C ATOM 688 O LEU A 51 12.541 1.856 1.805 1.00 0.00 O ATOM 689 CB LEU A 51 11.195 -0.687 3.177 1.00 0.00 C ATOM 690 CG LEU A 51 10.205 -1.252 4.197 1.00 0.00 C ATOM 691 CD1 LEU A 51 8.930 -1.711 3.505 1.00 0.00 C ATOM 692 CD2 LEU A 51 10.835 -2.398 4.974 1.00 0.00 C ATOM 0 H LEU A 51 10.389 1.513 4.054 1.00 0.00 H new ATOM 0 HA LEU A 51 12.811 -0.021 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.630 -0.289 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.801 -1.509 2.795 1.00 0.00 H new ATOM 0 HG LEU A 51 9.947 -0.461 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.237 -2.110 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.468 -0.866 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.170 -2.487 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.116 -2.787 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.122 -3.191 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.719 -2.038 5.501 1.00 0.00 H new ATOM 704 N PRO A 52 14.177 0.412 2.363 1.00 0.00 N ATOM 705 CA PRO A 52 15.092 0.833 1.298 1.00 0.00 C ATOM 706 C PRO A 52 14.602 0.418 -0.085 1.00 0.00 C ATOM 707 O PRO A 52 14.984 -0.633 -0.601 1.00 0.00 O ATOM 708 CB PRO A 52 16.396 0.107 1.643 1.00 0.00 C ATOM 709 CG PRO A 52 15.969 -1.085 2.428 1.00 0.00 C ATOM 710 CD PRO A 52 14.748 -0.660 3.196 1.00 0.00 C ATOM 0 HA PRO A 52 15.191 1.917 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.937 -0.185 0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.063 0.745 2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.744 -1.925 1.771 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.760 -1.412 3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.047 -1.485 3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.005 -0.301 4.193 1.00 0.00 H new ATOM 718 N LEU A 53 13.754 1.249 -0.680 1.00 0.00 N ATOM 719 CA LEU A 53 13.211 0.969 -2.005 1.00 0.00 C ATOM 720 C LEU A 53 12.887 2.262 -2.745 1.00 0.00 C ATOM 721 O LEU A 53 12.686 3.317 -2.144 1.00 0.00 O ATOM 722 CB LEU A 53 11.954 0.105 -1.890 1.00 0.00 C ATOM 723 CG LEU A 53 12.184 -1.390 -1.666 1.00 0.00 C ATOM 724 CD1 LEU A 53 10.954 -2.033 -1.046 1.00 0.00 C ATOM 725 CD2 LEU A 53 12.545 -2.076 -2.975 1.00 0.00 C ATOM 0 H LEU A 53 13.427 2.122 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 53 13.967 0.427 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.350 0.486 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.368 0.229 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 53 13.018 -1.510 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.137 -3.097 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.741 -1.561 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.101 -1.903 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.705 -3.139 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.732 -1.946 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.457 -1.634 -3.378 1.00 0.00 H new ATOM 737 N PRO A 54 12.833 2.181 -4.083 1.00 0.00 N ATOM 738 CA PRO A 54 12.530 3.335 -4.935 1.00 0.00 C ATOM 739 C PRO A 54 11.080 3.787 -4.806 1.00 0.00 C ATOM 740 O PRO A 54 10.152 2.978 -4.781 1.00 0.00 O ATOM 741 CB PRO A 54 12.804 2.815 -6.348 1.00 0.00 C ATOM 742 CG PRO A 54 12.617 1.340 -6.251 1.00 0.00 C ATOM 743 CD PRO A 54 13.061 0.956 -4.867 1.00 0.00 C ATOM 0 HA PRO A 54 13.124 4.208 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.118 3.254 -7.072 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.814 3.066 -6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.575 1.067 -6.416 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.206 0.821 -7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.484 0.117 -4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.109 0.657 -4.850 1.00 0.00 H new ATOM 751 N PRO A 55 10.876 5.110 -4.722 1.00 0.00 N ATOM 752 CA PRO A 55 9.540 5.699 -4.595 1.00 0.00 C ATOM 753 C PRO A 55 8.719 5.555 -5.872 1.00 0.00 C ATOM 754 O PRO A 55 9.117 6.034 -6.934 1.00 0.00 O ATOM 755 CB PRO A 55 9.829 7.175 -4.308 1.00 0.00 C ATOM 756 CG PRO A 55 11.173 7.420 -4.901 1.00 0.00 C ATOM 757 CD PRO A 55 11.935 6.133 -4.745 1.00 0.00 C ATOM 0 HA PRO A 55 8.950 5.208 -3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.074 7.821 -4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.826 7.378 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.091 7.700 -5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.681 8.239 -4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.629 5.974 -5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.523 6.123 -3.827 1.00 0.00 H new ATOM 765 N SER A 56 7.572 4.893 -5.761 1.00 0.00 N ATOM 766 CA SER A 56 6.697 4.683 -6.908 1.00 0.00 C ATOM 767 C SER A 56 5.262 4.428 -6.457 1.00 0.00 C ATOM 768 O SER A 56 5.010 3.791 -5.433 1.00 0.00 O ATOM 769 CB SER A 56 7.196 3.507 -7.749 1.00 0.00 C ATOM 770 OG SER A 56 6.875 3.686 -9.118 1.00 0.00 O ATOM 0 H SER A 56 7.227 4.493 -4.888 1.00 0.00 H new ATOM 0 HA SER A 56 6.713 5.587 -7.516 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.275 3.407 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.750 2.581 -7.386 1.00 0.00 H new ATOM 0 HG SER A 56 7.206 2.922 -9.634 1.00 0.00 H new ATOM 776 N PRO A 57 4.297 4.935 -7.238 1.00 0.00 N ATOM 777 CA PRO A 57 2.871 4.775 -6.941 1.00 0.00 C ATOM 778 C PRO A 57 2.398 3.337 -7.124 1.00 0.00 C ATOM 779 O PRO A 57 1.220 3.032 -6.942 1.00 0.00 O ATOM 780 CB PRO A 57 2.191 5.695 -7.957 1.00 0.00 C ATOM 781 CG PRO A 57 3.156 5.789 -9.089 1.00 0.00 C ATOM 782 CD PRO A 57 4.525 5.705 -8.473 1.00 0.00 C ATOM 0 HA PRO A 57 2.641 5.019 -5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.235 5.285 -8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.987 6.676 -7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.999 4.981 -9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.030 6.725 -9.633 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.233 5.204 -9.134 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.931 6.694 -8.261 1.00 0.00 H new ATOM 790 N VAL A 58 3.326 2.456 -7.486 1.00 0.00 N ATOM 791 CA VAL A 58 3.004 1.049 -7.693 1.00 0.00 C ATOM 792 C VAL A 58 4.088 0.147 -7.114 1.00 0.00 C ATOM 793 O VAL A 58 5.173 0.017 -7.684 1.00 0.00 O ATOM 794 CB VAL A 58 2.828 0.727 -9.188 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.504 -0.746 -9.384 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.744 1.605 -9.797 1.00 0.00 C ATOM 0 H VAL A 58 4.306 2.692 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 58 2.063 0.860 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 58 3.767 0.938 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.383 -0.954 -10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.317 -1.353 -8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.579 -0.988 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.632 1.365 -10.854 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.800 1.427 -9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.023 2.653 -9.691 1.00 0.00 H new ATOM 806 N LEU A 59 3.789 -0.476 -5.979 1.00 0.00 N ATOM 807 CA LEU A 59 4.738 -1.368 -5.323 1.00 0.00 C ATOM 808 C LEU A 59 4.344 -2.827 -5.526 1.00 0.00 C ATOM 809 O LEU A 59 3.300 -3.271 -5.047 1.00 0.00 O ATOM 810 CB LEU A 59 4.815 -1.052 -3.828 1.00 0.00 C ATOM 811 CG LEU A 59 5.269 -2.198 -2.923 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.550 -2.822 -3.453 1.00 0.00 C ATOM 813 CD2 LEU A 59 5.464 -1.705 -1.496 1.00 0.00 C ATOM 0 H LEU A 59 2.897 -0.380 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 59 5.718 -1.210 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.497 -0.213 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.831 -0.721 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 59 4.492 -2.962 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.857 -3.635 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.377 -3.212 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.335 -2.067 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.787 -2.534 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.222 -0.922 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.523 -1.306 -1.117 1.00 0.00 H new ATOM 825 N ILE A 60 5.187 -3.569 -6.237 1.00 0.00 N ATOM 826 CA ILE A 60 4.928 -4.979 -6.501 1.00 0.00 C ATOM 827 C ILE A 60 5.754 -5.871 -5.581 1.00 0.00 C ATOM 828 O ILE A 60 6.980 -5.762 -5.530 1.00 0.00 O ATOM 829 CB ILE A 60 5.237 -5.344 -7.965 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.478 -4.416 -8.916 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.877 -6.798 -8.235 1.00 0.00 C ATOM 832 CD1 ILE A 60 5.232 -3.150 -9.254 1.00 0.00 C ATOM 0 H ILE A 60 6.055 -3.217 -6.640 1.00 0.00 H new ATOM 0 HA ILE A 60 3.868 -5.146 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 60 6.305 -5.216 -8.139 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.257 -4.955 -9.837 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.522 -4.150 -8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.101 -7.041 -9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.458 -7.445 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.814 -6.951 -8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.634 -2.541 -9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.430 -2.589 -8.340 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.177 -3.406 -9.734 1.00 0.00 H new ATOM 844 N LEU A 61 5.076 -6.754 -4.856 1.00 0.00 N ATOM 845 CA LEU A 61 5.748 -7.668 -3.938 1.00 0.00 C ATOM 846 C LEU A 61 5.689 -9.101 -4.457 1.00 0.00 C ATOM 847 O LEU A 61 4.950 -9.942 -3.946 1.00 0.00 O ATOM 848 CB LEU A 61 5.109 -7.589 -2.551 1.00 0.00 C ATOM 849 CG LEU A 61 6.033 -7.881 -1.368 1.00 0.00 C ATOM 850 CD1 LEU A 61 7.163 -6.864 -1.310 1.00 0.00 C ATOM 851 CD2 LEU A 61 5.248 -7.884 -0.065 1.00 0.00 C ATOM 0 H LEU A 61 4.062 -6.857 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 61 6.794 -7.370 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.691 -6.591 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.275 -8.290 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 61 6.469 -8.870 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.810 -7.087 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.743 -6.911 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.746 -5.863 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.922 -8.094 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.783 -6.909 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.475 -8.652 -0.108 1.00 0.00 H new ATOM 863 N PRO A 62 6.489 -9.388 -5.495 1.00 0.00 N ATOM 864 CA PRO A 62 6.548 -10.720 -6.104 1.00 0.00 C ATOM 865 C PRO A 62 7.205 -11.747 -5.188 1.00 0.00 C ATOM 866 O PRO A 62 8.153 -11.433 -4.468 1.00 0.00 O ATOM 867 CB PRO A 62 7.399 -10.500 -7.357 1.00 0.00 C ATOM 868 CG PRO A 62 8.238 -9.310 -7.041 1.00 0.00 C ATOM 869 CD PRO A 62 7.397 -8.434 -6.154 1.00 0.00 C ATOM 0 HA PRO A 62 5.555 -11.118 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.015 -11.372 -7.575 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.775 -10.323 -8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.159 -9.604 -6.538 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.526 -8.783 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.006 -7.893 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.848 -7.688 -6.729 1.00 0.00 H new ATOM 877 N GLU A 63 6.696 -12.974 -5.221 1.00 0.00 N ATOM 878 CA GLU A 63 7.234 -14.047 -4.392 1.00 0.00 C ATOM 879 C GLU A 63 7.051 -13.734 -2.910 1.00 0.00 C ATOM 880 O GLU A 63 8.013 -13.733 -2.142 1.00 0.00 O ATOM 881 CB GLU A 63 8.718 -14.263 -4.700 1.00 0.00 C ATOM 882 CG GLU A 63 8.969 -15.272 -5.807 1.00 0.00 C ATOM 883 CD GLU A 63 9.038 -16.697 -5.293 1.00 0.00 C ATOM 884 OE1 GLU A 63 8.030 -17.176 -4.733 1.00 0.00 O ATOM 885 OE2 GLU A 63 10.100 -17.334 -5.452 1.00 0.00 O ATOM 0 H GLU A 63 5.912 -13.250 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 63 6.685 -14.960 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.165 -13.309 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.224 -14.597 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.175 -15.196 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.903 -15.026 -6.312 1.00 0.00 H new ATOM 892 N ILE A 64 5.810 -13.468 -2.517 1.00 0.00 N ATOM 893 CA ILE A 64 5.500 -13.154 -1.128 1.00 0.00 C ATOM 894 C ILE A 64 5.681 -14.376 -0.234 1.00 0.00 C ATOM 895 O ILE A 64 5.375 -15.499 -0.632 1.00 0.00 O ATOM 896 CB ILE A 64 4.060 -12.630 -0.977 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.029 -11.108 -1.126 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.483 -13.048 0.368 1.00 0.00 C ATOM 899 CD1 ILE A 64 2.638 -10.548 -1.329 1.00 0.00 C ATOM 0 H ILE A 64 5.003 -13.464 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 64 6.196 -12.374 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 64 3.446 -13.065 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.468 -10.655 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.654 -10.821 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.465 -12.670 0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.474 -14.136 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.096 -12.638 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.693 -9.464 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.203 -10.972 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.014 -10.804 -0.473 1.00 0.00 H new ATOM 911 N GLY A 65 6.179 -14.148 0.977 1.00 0.00 N ATOM 912 CA GLY A 65 6.391 -15.240 1.910 1.00 0.00 C ATOM 913 C GLY A 65 5.850 -14.935 3.293 1.00 0.00 C ATOM 914 O GLY A 65 5.130 -13.958 3.499 1.00 0.00 O ATOM 0 H GLY A 65 6.440 -13.227 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.911 -16.140 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.458 -15.452 1.979 1.00 0.00 H new ATOM 918 N PRO A 66 6.199 -15.785 4.270 1.00 0.00 N ATOM 919 CA PRO A 66 5.754 -15.623 5.657 1.00 0.00 C ATOM 920 C PRO A 66 6.402 -14.422 6.337 1.00 0.00 C ATOM 921 O PRO A 66 5.911 -13.934 7.354 1.00 0.00 O ATOM 922 CB PRO A 66 6.202 -16.923 6.328 1.00 0.00 C ATOM 923 CG PRO A 66 7.351 -17.397 5.507 1.00 0.00 C ATOM 924 CD PRO A 66 7.055 -16.971 4.095 1.00 0.00 C ATOM 0 HA PRO A 66 4.681 -15.442 5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.499 -16.752 7.363 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.397 -17.658 6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.287 -16.962 5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.458 -18.480 5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.967 -16.732 3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.545 -17.756 3.537 1.00 0.00 H new ATOM 932 N GLN A 67 7.506 -13.950 5.767 1.00 0.00 N ATOM 933 CA GLN A 67 8.221 -12.806 6.320 1.00 0.00 C ATOM 934 C GLN A 67 7.715 -11.502 5.712 1.00 0.00 C ATOM 935 O GLN A 67 7.723 -10.457 6.364 1.00 0.00 O ATOM 936 CB GLN A 67 9.724 -12.948 6.072 1.00 0.00 C ATOM 937 CG GLN A 67 10.442 -11.618 5.905 1.00 0.00 C ATOM 938 CD GLN A 67 10.519 -10.831 7.198 1.00 0.00 C ATOM 939 OE1 GLN A 67 9.628 -10.914 8.043 1.00 0.00 O ATOM 940 NE2 GLN A 67 11.589 -10.060 7.359 1.00 0.00 N ATOM 0 H GLN A 67 7.924 -14.342 4.923 1.00 0.00 H new ATOM 0 HA GLN A 67 8.038 -12.780 7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.171 -13.491 6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.881 -13.551 5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.451 -11.798 5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.926 -11.023 5.152 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.304 -10.021 6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.696 -9.507 8.209 1.00 0.00 H new ATOM 949 N ASP A 68 7.275 -11.570 4.461 1.00 0.00 N ATOM 950 CA ASP A 68 6.763 -10.395 3.765 1.00 0.00 C ATOM 951 C ASP A 68 5.561 -9.810 4.498 1.00 0.00 C ATOM 952 O ASP A 68 5.429 -8.592 4.619 1.00 0.00 O ATOM 953 CB ASP A 68 6.376 -10.755 2.329 1.00 0.00 C ATOM 954 CG ASP A 68 7.584 -10.962 1.438 1.00 0.00 C ATOM 955 OD1 ASP A 68 8.373 -10.007 1.277 1.00 0.00 O ATOM 956 OD2 ASP A 68 7.741 -12.078 0.900 1.00 0.00 O ATOM 0 H ASP A 68 7.262 -12.427 3.907 1.00 0.00 H new ATOM 0 HA ASP A 68 7.552 -9.644 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.773 -11.663 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.754 -9.962 1.914 1.00 0.00 H new ATOM 961 N GLN A 69 4.687 -10.685 4.984 1.00 0.00 N ATOM 962 CA GLN A 69 3.494 -10.254 5.704 1.00 0.00 C ATOM 963 C GLN A 69 3.828 -9.141 6.693 1.00 0.00 C ATOM 964 O GLN A 69 4.890 -9.146 7.313 1.00 0.00 O ATOM 965 CB GLN A 69 2.863 -11.436 6.442 1.00 0.00 C ATOM 966 CG GLN A 69 2.260 -12.479 5.516 1.00 0.00 C ATOM 967 CD GLN A 69 1.899 -13.762 6.238 1.00 0.00 C ATOM 968 OE1 GLN A 69 0.777 -14.258 6.125 1.00 0.00 O ATOM 969 NE2 GLN A 69 2.850 -14.308 6.987 1.00 0.00 N ATOM 0 H GLN A 69 4.782 -11.696 4.893 1.00 0.00 H new ATOM 0 HA GLN A 69 2.781 -9.867 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.621 -11.910 7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.087 -11.064 7.111 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.367 -12.068 5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.967 -12.703 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.766 -13.864 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.665 -15.172 7.497 1.00 0.00 H new ATOM 978 N GLY A 70 2.912 -8.188 6.834 1.00 0.00 N ATOM 979 CA GLY A 70 3.128 -7.082 7.748 1.00 0.00 C ATOM 980 C GLY A 70 2.205 -5.911 7.470 1.00 0.00 C ATOM 981 O GLY A 70 1.209 -6.051 6.760 1.00 0.00 O ATOM 0 H GLY A 70 2.025 -8.162 6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.976 -7.425 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.164 -6.750 7.674 1.00 0.00 H new ATOM 985 N THR A 71 2.535 -4.753 8.033 1.00 0.00 N ATOM 986 CA THR A 71 1.728 -3.554 7.845 1.00 0.00 C ATOM 987 C THR A 71 2.344 -2.636 6.796 1.00 0.00 C ATOM 988 O THR A 71 3.528 -2.305 6.865 1.00 0.00 O ATOM 989 CB THR A 71 1.565 -2.774 9.163 1.00 0.00 C ATOM 990 OG1 THR A 71 2.779 -2.833 9.920 1.00 0.00 O ATOM 991 CG2 THR A 71 0.418 -3.338 9.988 1.00 0.00 C ATOM 0 H THR A 71 3.356 -4.620 8.623 1.00 0.00 H new ATOM 0 HA THR A 71 0.747 -3.884 7.504 1.00 0.00 H new ATOM 0 HB THR A 71 1.339 -1.736 8.920 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.668 -2.333 10.756 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.323 -2.771 10.914 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.509 -3.264 9.420 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.618 -4.384 10.222 1.00 0.00 H new ATOM 999 N TYR A 72 1.534 -2.226 5.826 1.00 0.00 N ATOM 1000 CA TYR A 72 2.001 -1.346 4.762 1.00 0.00 C ATOM 1001 C TYR A 72 1.131 -0.096 4.667 1.00 0.00 C ATOM 1002 O TYR A 72 -0.043 -0.113 5.038 1.00 0.00 O ATOM 1003 CB TYR A 72 1.997 -2.085 3.422 1.00 0.00 C ATOM 1004 CG TYR A 72 2.971 -3.240 3.366 1.00 0.00 C ATOM 1005 CD1 TYR A 72 2.646 -4.476 3.911 1.00 0.00 C ATOM 1006 CD2 TYR A 72 4.217 -3.096 2.766 1.00 0.00 C ATOM 1007 CE1 TYR A 72 3.533 -5.534 3.862 1.00 0.00 C ATOM 1008 CE2 TYR A 72 5.109 -4.148 2.712 1.00 0.00 C ATOM 1009 CZ TYR A 72 4.764 -5.365 3.262 1.00 0.00 C ATOM 1010 OH TYR A 72 5.649 -6.417 3.210 1.00 0.00 O ATOM 0 H TYR A 72 0.551 -2.489 5.755 1.00 0.00 H new ATOM 0 HA TYR A 72 3.020 -1.041 4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.992 -2.458 3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.237 -1.379 2.627 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.683 -4.612 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.492 -2.145 2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.264 -6.488 4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.072 -4.019 2.241 1.00 0.00 H new ATOM 0 HH TYR A 72 5.433 -7.061 3.916 1.00 0.00 H new ATOM 1020 N SER A 73 1.716 0.988 4.168 1.00 0.00 N ATOM 1021 CA SER A 73 0.997 2.249 4.027 1.00 0.00 C ATOM 1022 C SER A 73 1.812 3.251 3.216 1.00 0.00 C ATOM 1023 O SER A 73 3.016 3.404 3.424 1.00 0.00 O ATOM 1024 CB SER A 73 0.674 2.832 5.404 1.00 0.00 C ATOM 1025 OG SER A 73 0.187 4.159 5.294 1.00 0.00 O ATOM 0 H SER A 73 2.686 1.019 3.854 1.00 0.00 H new ATOM 0 HA SER A 73 0.066 2.051 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.069 2.209 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.569 2.820 6.027 1.00 0.00 H new ATOM 0 HG SER A 73 -0.698 4.218 5.710 1.00 0.00 H new ATOM 1031 N CYS A 74 1.147 3.933 2.289 1.00 0.00 N ATOM 1032 CA CYS A 74 1.807 4.921 1.445 1.00 0.00 C ATOM 1033 C CYS A 74 1.840 6.285 2.127 1.00 0.00 C ATOM 1034 O CYS A 74 0.876 6.689 2.777 1.00 0.00 O ATOM 1035 CB CYS A 74 1.092 5.030 0.097 1.00 0.00 C ATOM 1036 SG CYS A 74 -0.603 5.688 0.205 1.00 0.00 S ATOM 0 H CYS A 74 0.150 3.819 2.104 1.00 0.00 H new ATOM 0 HA CYS A 74 2.833 4.593 1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.678 5.671 -0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.058 4.043 -0.365 1.00 0.00 H new ATOM 1041 N VAL A 75 2.956 6.991 1.975 1.00 0.00 N ATOM 1042 CA VAL A 75 3.114 8.310 2.574 1.00 0.00 C ATOM 1043 C VAL A 75 3.320 9.378 1.507 1.00 0.00 C ATOM 1044 O VAL A 75 4.220 9.273 0.674 1.00 0.00 O ATOM 1045 CB VAL A 75 4.304 8.343 3.553 1.00 0.00 C ATOM 1046 CG1 VAL A 75 4.480 9.737 4.134 1.00 0.00 C ATOM 1047 CG2 VAL A 75 4.111 7.316 4.659 1.00 0.00 C ATOM 0 H VAL A 75 3.764 6.671 1.442 1.00 0.00 H new ATOM 0 HA VAL A 75 2.195 8.520 3.122 1.00 0.00 H new ATOM 0 HB VAL A 75 5.211 8.088 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.325 9.740 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.666 10.446 3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.575 10.025 4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.960 7.352 5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.195 7.539 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.039 6.320 4.222 1.00 0.00 H new ATOM 1057 N ALA A 76 2.479 10.408 1.538 1.00 0.00 N ATOM 1058 CA ALA A 76 2.570 11.497 0.574 1.00 0.00 C ATOM 1059 C ALA A 76 2.994 12.796 1.251 1.00 0.00 C ATOM 1060 O ALA A 76 2.628 13.059 2.398 1.00 0.00 O ATOM 1061 CB ALA A 76 1.239 11.682 -0.140 1.00 0.00 C ATOM 0 H ALA A 76 1.728 10.510 2.220 1.00 0.00 H new ATOM 0 HA ALA A 76 3.331 11.236 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.321 12.499 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.977 10.763 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.464 11.917 0.590 1.00 0.00 H new ATOM 1177 N GLU A 85 -0.375 9.686 5.399 1.00 0.00 N ATOM 1178 CA GLU A 85 -0.199 8.239 5.416 1.00 0.00 C ATOM 1179 C GLU A 85 -1.548 7.527 5.387 1.00 0.00 C ATOM 1180 O GLU A 85 -2.386 7.725 6.267 1.00 0.00 O ATOM 1181 CB GLU A 85 0.589 7.813 6.657 1.00 0.00 C ATOM 1182 CG GLU A 85 0.962 6.340 6.665 1.00 0.00 C ATOM 1183 CD GLU A 85 2.043 6.018 7.678 1.00 0.00 C ATOM 1184 OE1 GLU A 85 2.625 6.965 8.247 1.00 0.00 O ATOM 1185 OE2 GLU A 85 2.307 4.818 7.901 1.00 0.00 O ATOM 0 HA GLU A 85 0.361 7.956 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.499 8.410 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.002 8.034 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.075 5.746 6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.303 6.050 5.671 1.00 0.00 H new ATOM 1192 N SER A 86 -1.751 6.696 4.369 1.00 0.00 N ATOM 1193 CA SER A 86 -2.999 5.957 4.222 1.00 0.00 C ATOM 1194 C SER A 86 -3.198 4.990 5.385 1.00 0.00 C ATOM 1195 O SER A 86 -2.332 4.855 6.250 1.00 0.00 O ATOM 1196 CB SER A 86 -3.010 5.191 2.898 1.00 0.00 C ATOM 1197 OG SER A 86 -1.973 4.227 2.859 1.00 0.00 O ATOM 0 H SER A 86 -1.067 6.518 3.634 1.00 0.00 H new ATOM 0 HA SER A 86 -3.820 6.674 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.974 4.699 2.767 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.893 5.889 2.069 1.00 0.00 H new ATOM 0 HG SER A 86 -1.367 4.367 3.616 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.344 4.318 5.399 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.658 3.363 6.455 1.00 0.00 C ATOM 1205 C ARG A 87 -3.592 2.275 6.539 1.00 0.00 C ATOM 1206 O ARG A 87 -2.761 2.136 5.641 1.00 0.00 O ATOM 1207 CB ARG A 87 -6.029 2.731 6.209 1.00 0.00 C ATOM 1208 CG ARG A 87 -7.182 3.524 6.803 1.00 0.00 C ATOM 1209 CD ARG A 87 -7.579 2.991 8.170 1.00 0.00 C ATOM 1210 NE ARG A 87 -6.450 2.962 9.096 1.00 0.00 N ATOM 1211 CZ ARG A 87 -6.581 3.024 10.416 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -7.785 3.118 10.963 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -5.505 2.993 11.193 1.00 0.00 N ATOM 0 H ARG A 87 -5.071 4.417 4.691 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.678 3.901 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.185 2.629 5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.037 1.725 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.898 4.573 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.039 3.480 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.372 3.613 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.986 1.985 8.063 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.510 2.890 8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.614 3.143 10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.882 3.165 11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.577 2.922 10.776 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.606 3.041 12.207 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.621 1.508 7.623 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.658 0.432 7.824 1.00 0.00 C ATOM 1229 C ALA A 88 -3.217 -0.902 7.340 1.00 0.00 C ATOM 1230 O ALA A 88 -4.145 -1.451 7.935 1.00 0.00 O ATOM 1231 CB ALA A 88 -2.266 0.341 9.291 1.00 0.00 C ATOM 0 H ALA A 88 -4.301 1.611 8.376 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.769 0.659 7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.547 -0.467 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.818 1.283 9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.153 0.141 9.893 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.647 -1.419 6.256 1.00 0.00 N ATOM 1238 CA VAL A 89 -3.088 -2.689 5.693 1.00 0.00 C ATOM 1239 C VAL A 89 -2.174 -3.830 6.126 1.00 0.00 C ATOM 1240 O VAL A 89 -0.950 -3.697 6.112 1.00 0.00 O ATOM 1241 CB VAL A 89 -3.131 -2.636 4.154 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -3.962 -1.452 3.683 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -1.722 -2.569 3.584 1.00 0.00 C ATOM 0 H VAL A 89 -1.879 -0.978 5.750 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.094 -2.870 6.071 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.603 -3.548 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.981 -1.431 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.980 -1.548 4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.522 -0.527 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.771 -2.532 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.222 -1.675 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.162 -3.452 3.892 1.00 0.00 H new ATOM 1253 N SER A 90 -2.777 -4.951 6.509 1.00 0.00 N ATOM 1254 CA SER A 90 -2.017 -6.115 6.949 1.00 0.00 C ATOM 1255 C SER A 90 -2.047 -7.215 5.893 1.00 0.00 C ATOM 1256 O SER A 90 -3.084 -7.836 5.657 1.00 0.00 O ATOM 1257 CB SER A 90 -2.577 -6.646 8.270 1.00 0.00 C ATOM 1258 OG SER A 90 -1.605 -7.407 8.967 1.00 0.00 O ATOM 0 H SER A 90 -3.789 -5.078 6.523 1.00 0.00 H new ATOM 0 HA SER A 90 -0.982 -5.807 7.098 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.905 -5.812 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.455 -7.262 8.075 1.00 0.00 H new ATOM 0 HG SER A 90 -1.987 -7.734 9.808 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.902 -7.451 5.260 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.796 -8.476 4.230 1.00 0.00 C ATOM 1266 C ILE A 91 -0.601 -9.857 4.846 1.00 0.00 C ATOM 1267 O ILE A 91 0.376 -10.100 5.554 1.00 0.00 O ATOM 1268 CB ILE A 91 0.370 -8.187 3.266 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.185 -6.822 2.601 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.474 -9.284 2.217 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -1.172 -6.642 1.958 1.00 0.00 C ATOM 0 H ILE A 91 -0.035 -6.946 5.443 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.732 -8.459 3.671 1.00 0.00 H new ATOM 0 HB ILE A 91 1.298 -8.168 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.331 -6.041 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.957 -6.688 1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.302 -9.066 1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.648 -10.241 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.454 -9.332 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.232 -5.652 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.314 -7.401 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.950 -6.743 2.715 1.00 0.00 H new ATOM 1283 N SER A 92 -1.538 -10.760 4.570 1.00 0.00 N ATOM 1284 CA SER A 92 -1.470 -12.117 5.099 1.00 0.00 C ATOM 1285 C SER A 92 -1.414 -13.139 3.968 1.00 0.00 C ATOM 1286 O SER A 92 -1.689 -12.816 2.812 1.00 0.00 O ATOM 1287 CB SER A 92 -2.678 -12.398 5.996 1.00 0.00 C ATOM 1288 OG SER A 92 -3.891 -12.239 5.282 1.00 0.00 O ATOM 0 H SER A 92 -2.352 -10.576 3.984 1.00 0.00 H new ATOM 0 HA SER A 92 -0.558 -12.205 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.614 -13.412 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.665 -11.723 6.851 1.00 0.00 H new ATOM 0 HG SER A 92 -4.647 -12.426 5.876 1.00 0.00 H new ATOM 1294 N ILE A 93 -1.057 -14.372 4.310 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.965 -15.442 3.324 1.00 0.00 C ATOM 1296 C ILE A 93 -2.213 -16.317 3.346 1.00 0.00 C ATOM 1297 O ILE A 93 -2.830 -16.510 4.395 1.00 0.00 O ATOM 1298 CB ILE A 93 0.273 -16.325 3.566 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.549 -15.485 3.489 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.318 -17.461 2.554 1.00 0.00 C ATOM 1301 CD1 ILE A 93 2.742 -16.138 4.152 1.00 0.00 C ATOM 0 H ILE A 93 -0.827 -14.655 5.262 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.875 -14.966 2.348 1.00 0.00 H new ATOM 0 HB ILE A 93 0.205 -16.756 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.785 -15.292 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.367 -14.518 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.198 -18.077 2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.579 -18.072 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.367 -17.049 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.611 -15.487 4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.525 -16.306 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.950 -17.092 3.668 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.579 -16.846 2.184 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.752 -17.704 2.070 1.00 0.00 C ATOM 1315 C ILE A 94 -3.355 -19.176 2.030 1.00 0.00 C ATOM 1316 O ILE A 94 -2.387 -19.549 1.369 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.573 -17.371 0.810 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -4.948 -15.887 0.797 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.821 -18.238 0.747 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.578 -15.435 -0.502 1.00 0.00 C ATOM 0 H ILE A 94 -2.080 -16.696 1.307 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.365 -17.519 2.952 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.964 -17.581 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.640 -15.688 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.054 -15.293 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.391 -17.991 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.533 -19.289 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.435 -18.056 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.818 -14.374 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.880 -15.602 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.491 -16.003 -0.681 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.111 -20.007 2.741 1.00 0.00 N ATOM 1333 CA GLU A 95 -3.837 -21.438 2.785 1.00 0.00 C ATOM 1334 C GLU A 95 -3.931 -22.053 1.392 1.00 0.00 C ATOM 1335 O GLU A 95 -4.792 -21.699 0.586 1.00 0.00 O ATOM 1336 CB GLU A 95 -4.816 -22.138 3.730 1.00 0.00 C ATOM 1337 CG GLU A 95 -6.247 -22.156 3.221 1.00 0.00 C ATOM 1338 CD GLU A 95 -6.549 -23.375 2.371 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -6.634 -24.486 2.936 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -6.700 -23.218 1.142 1.00 0.00 O ATOM 0 H GLU A 95 -4.917 -19.714 3.294 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.822 -21.576 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.483 -23.164 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.791 -21.640 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.931 -22.131 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.432 -21.255 2.636 1.00 0.00 H new