USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 83 ASN : amide:sc= 0.609 K(o=1.3,f=-3.4!) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -175:sc= 0.681 (180deg=0) USER MOD Set 2.1: A 23 SER OG : rot 29:sc= 0.173 USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 GLN : amide:sc= 0.285 K(o=0.59,f=-0.33) USER MOD Set 3.2: A 16 GLN : amide:sc= 0.305 K(o=0.59,f=-0.33) USER MOD Single : A 15 THR OG1 : rot 36:sc= 0.0808 USER MOD Single : A 18 THR OG1 : rot -114:sc= 0.462 USER MOD Single : A 20 ASN : amide:sc= 0.351 K(o=0.35,f=-6.7!) USER MOD Single : A 22 ASN : amide:sc= -0.746 K(o=-0.75,f=-5.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 132:sc= -0.411 (180deg=-1.54) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0495 USER MOD Single : A 49 SER OG : rot 77:sc= 0.102 USER MOD Single : A 54 GLN : amide:sc= -0.401 X(o=-0.4,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.325 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 0.574 (180deg=0.568) USER MOD Single : A 77 ASN : amide:sc= -0.333 K(o=-0.33,f=-2.8) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 86:sc= 0.972 USER MOD Single : A 94 MET CE :methyl -178:sc= -0.43 (180deg=-0.443) USER MOD Single : A 99 SER OG : rot 69:sc= 0.99 USER MOD Single : A 105 THR OG1 : rot 177:sc= 0.0213 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 -0.056 -4.706 10.941 1.00 52.20 N ATOM 202 CA ILE A 13 0.895 -3.907 10.173 1.00 73.30 C ATOM 203 C ILE A 13 1.585 -2.890 11.098 1.00 44.23 C ATOM 204 O ILE A 13 0.914 -2.172 11.851 1.00 42.03 O ATOM 205 CB ILE A 13 0.156 -3.153 9.009 1.00 15.22 C ATOM 206 CG1 ILE A 13 -0.702 -4.148 8.159 1.00 33.24 C ATOM 207 CG2 ILE A 13 1.158 -2.372 8.122 1.00 51.42 C ATOM 208 CD1 ILE A 13 -1.583 -3.486 7.120 1.00 50.15 C ATOM 0 HA ILE A 13 1.646 -4.569 9.742 1.00 73.30 H new ATOM 0 HB ILE A 13 -0.521 -2.425 9.455 1.00 15.22 H new ATOM 0 HG12 ILE A 13 -0.034 -4.848 7.658 1.00 33.24 H new ATOM 0 HG13 ILE A 13 -1.330 -4.732 8.831 1.00 33.24 H new ATOM 0 HG21 ILE A 13 0.617 -1.861 7.326 1.00 51.42 H new ATOM 0 HG22 ILE A 13 1.687 -1.638 8.730 1.00 51.42 H new ATOM 0 HG23 ILE A 13 1.876 -3.067 7.685 1.00 51.42 H new ATOM 0 HD11 ILE A 13 -2.142 -4.249 6.578 1.00 50.15 H new ATOM 0 HD12 ILE A 13 -2.279 -2.807 7.613 1.00 50.15 H new ATOM 0 HD13 ILE A 13 -0.963 -2.925 6.421 1.00 50.15 H new ATOM 220 N GLN A 14 2.921 -2.856 11.049 1.00 40.34 N ATOM 221 CA GLN A 14 3.731 -1.853 11.744 1.00 53.34 C ATOM 222 C GLN A 14 4.176 -0.798 10.721 1.00 3.21 C ATOM 223 O GLN A 14 4.505 -1.133 9.574 1.00 22.24 O ATOM 224 CB GLN A 14 4.954 -2.519 12.437 1.00 41.14 C ATOM 225 CG GLN A 14 5.939 -3.231 11.491 1.00 12.55 C ATOM 226 CD GLN A 14 7.090 -3.915 12.230 1.00 14.33 C ATOM 227 OE1 GLN A 14 8.132 -3.307 12.473 1.00 24.01 O ATOM 228 NE2 GLN A 14 6.915 -5.178 12.597 1.00 63.14 N ATOM 0 H GLN A 14 3.474 -3.531 10.521 1.00 40.34 H new ATOM 0 HA GLN A 14 3.142 -1.374 12.526 1.00 53.34 H new ATOM 0 HB2 GLN A 14 5.497 -1.754 12.992 1.00 41.14 H new ATOM 0 HB3 GLN A 14 4.588 -3.242 13.166 1.00 41.14 H new ATOM 0 HG2 GLN A 14 5.398 -3.974 10.905 1.00 12.55 H new ATOM 0 HG3 GLN A 14 6.347 -2.505 10.787 1.00 12.55 H new ATOM 0 HE21 GLN A 14 6.040 -5.655 12.381 1.00 63.14 H new ATOM 0 HE22 GLN A 14 7.656 -5.672 13.095 1.00 63.14 H new ATOM 237 N THR A 15 4.168 0.466 11.127 1.00 22.12 N ATOM 238 CA THR A 15 4.569 1.580 10.265 1.00 24.35 C ATOM 239 C THR A 15 6.003 1.996 10.615 1.00 73.21 C ATOM 240 O THR A 15 6.324 2.190 11.794 1.00 4.02 O ATOM 241 CB THR A 15 3.597 2.786 10.441 1.00 15.15 C ATOM 242 OG1 THR A 15 3.506 3.131 11.835 1.00 1.32 O ATOM 243 CG2 THR A 15 2.192 2.478 9.896 1.00 11.30 C ATOM 0 H THR A 15 3.883 0.752 12.064 1.00 22.12 H new ATOM 0 HA THR A 15 4.527 1.262 9.223 1.00 24.35 H new ATOM 0 HB THR A 15 3.999 3.622 9.870 1.00 15.15 H new ATOM 0 HG1 THR A 15 4.380 3.006 12.261 1.00 1.32 H new ATOM 0 HG21 THR A 15 1.548 3.346 10.039 1.00 11.30 H new ATOM 0 HG22 THR A 15 2.257 2.246 8.833 1.00 11.30 H new ATOM 0 HG23 THR A 15 1.774 1.624 10.429 1.00 11.30 H new ATOM 251 N GLN A 16 6.853 2.106 9.585 1.00 14.00 N ATOM 252 CA GLN A 16 8.263 2.509 9.715 1.00 1.42 C ATOM 253 C GLN A 16 8.489 3.755 8.849 1.00 2.02 C ATOM 254 O GLN A 16 8.132 3.766 7.661 1.00 73.23 O ATOM 255 CB GLN A 16 9.210 1.344 9.309 1.00 44.05 C ATOM 256 CG GLN A 16 9.170 0.133 10.271 1.00 42.42 C ATOM 257 CD GLN A 16 10.129 -1.003 9.889 1.00 11.31 C ATOM 258 OE1 GLN A 16 11.175 -0.787 9.278 1.00 44.40 O ATOM 259 NE2 GLN A 16 9.780 -2.225 10.256 1.00 73.55 N ATOM 0 H GLN A 16 6.577 1.915 8.622 1.00 14.00 H new ATOM 0 HA GLN A 16 8.492 2.748 10.753 1.00 1.42 H new ATOM 0 HB2 GLN A 16 8.945 1.007 8.307 1.00 44.05 H new ATOM 0 HB3 GLN A 16 10.231 1.721 9.259 1.00 44.05 H new ATOM 0 HG2 GLN A 16 9.411 0.474 11.278 1.00 42.42 H new ATOM 0 HG3 GLN A 16 8.153 -0.259 10.302 1.00 42.42 H new ATOM 0 HE21 GLN A 16 8.907 -2.376 10.762 1.00 73.55 H new ATOM 0 HE22 GLN A 16 10.384 -3.016 10.033 1.00 73.55 H new ATOM 268 N ASP A 17 9.053 4.807 9.464 1.00 5.21 N ATOM 269 CA ASP A 17 9.217 6.125 8.832 1.00 55.51 C ATOM 270 C ASP A 17 10.419 6.113 7.863 1.00 23.25 C ATOM 271 O ASP A 17 11.390 5.372 8.072 1.00 4.52 O ATOM 272 CB ASP A 17 9.367 7.204 9.939 1.00 71.42 C ATOM 273 CG ASP A 17 9.253 8.652 9.423 1.00 23.41 C ATOM 274 OD1 ASP A 17 8.126 9.198 9.389 1.00 32.54 O ATOM 275 OD2 ASP A 17 10.282 9.254 9.048 1.00 0.32 O ATOM 0 H ASP A 17 9.410 4.766 10.419 1.00 5.21 H new ATOM 0 HA ASP A 17 8.336 6.366 8.238 1.00 55.51 H new ATOM 0 HB2 ASP A 17 8.603 7.039 10.699 1.00 71.42 H new ATOM 0 HB3 ASP A 17 10.334 7.078 10.426 1.00 71.42 H new ATOM 280 N THR A 18 10.349 6.959 6.826 1.00 35.31 N ATOM 281 CA THR A 18 11.252 6.916 5.655 1.00 14.43 C ATOM 282 C THR A 18 11.949 8.290 5.476 1.00 24.33 C ATOM 283 O THR A 18 11.545 9.265 6.122 1.00 72.31 O ATOM 284 CB THR A 18 10.437 6.561 4.349 1.00 11.05 C ATOM 285 OG1 THR A 18 9.508 7.608 4.046 1.00 32.51 O ATOM 286 CG2 THR A 18 9.683 5.222 4.459 1.00 1.43 C ATOM 0 H THR A 18 9.656 7.705 6.771 1.00 35.31 H new ATOM 0 HA THR A 18 12.006 6.147 5.823 1.00 14.43 H new ATOM 0 HB THR A 18 11.166 6.460 3.545 1.00 11.05 H new ATOM 0 HG1 THR A 18 8.593 7.273 4.149 1.00 32.51 H new ATOM 0 HG21 THR A 18 9.142 5.032 3.532 1.00 1.43 H new ATOM 0 HG22 THR A 18 10.396 4.416 4.635 1.00 1.43 H new ATOM 0 HG23 THR A 18 8.977 5.269 5.288 1.00 1.43 H new ATOM 294 N PRO A 19 12.993 8.414 4.585 1.00 75.45 N ATOM 295 CA PRO A 19 13.563 9.742 4.209 1.00 12.14 C ATOM 296 C PRO A 19 12.673 10.544 3.213 1.00 31.44 C ATOM 297 O PRO A 19 13.191 11.341 2.423 1.00 44.42 O ATOM 298 CB PRO A 19 14.923 9.347 3.578 1.00 12.41 C ATOM 299 CG PRO A 19 14.671 8.010 2.957 1.00 0.53 C ATOM 300 CD PRO A 19 13.746 7.294 3.918 1.00 51.52 C ATOM 0 HA PRO A 19 13.644 10.417 5.061 1.00 12.14 H new ATOM 0 HB2 PRO A 19 15.243 10.077 2.834 1.00 12.41 H new ATOM 0 HB3 PRO A 19 15.710 9.294 4.331 1.00 12.41 H new ATOM 0 HG2 PRO A 19 14.214 8.113 1.973 1.00 0.53 H new ATOM 0 HG3 PRO A 19 15.601 7.458 2.820 1.00 0.53 H new ATOM 0 HD2 PRO A 19 13.073 6.614 3.395 1.00 51.52 H new ATOM 0 HD3 PRO A 19 14.303 6.698 4.642 1.00 51.52 H new ATOM 308 N ASN A 20 11.342 10.353 3.276 1.00 21.32 N ATOM 309 CA ASN A 20 10.377 11.062 2.421 1.00 42.21 C ATOM 310 C ASN A 20 9.158 11.464 3.285 1.00 53.24 C ATOM 311 O ASN A 20 8.468 10.575 3.803 1.00 15.45 O ATOM 312 CB ASN A 20 9.945 10.136 1.245 1.00 13.41 C ATOM 313 CG ASN A 20 9.097 10.836 0.163 1.00 5.52 C ATOM 314 OD1 ASN A 20 8.379 11.797 0.417 1.00 2.54 O ATOM 315 ND2 ASN A 20 9.153 10.340 -1.054 1.00 0.41 N ATOM 0 H ASN A 20 10.906 9.699 3.925 1.00 21.32 H new ATOM 0 HA ASN A 20 10.827 11.960 1.998 1.00 42.21 H new ATOM 0 HB2 ASN A 20 10.838 9.721 0.778 1.00 13.41 H new ATOM 0 HB3 ASN A 20 9.378 9.297 1.648 1.00 13.41 H new ATOM 0 HD21 ASN A 20 8.595 10.755 -1.800 1.00 0.41 H new ATOM 0 HD22 ASN A 20 9.755 9.540 -1.252 1.00 0.41 H new ATOM 322 N PRO A 21 8.848 12.796 3.446 1.00 62.45 N ATOM 323 CA PRO A 21 7.675 13.253 4.244 1.00 50.13 C ATOM 324 C PRO A 21 6.328 12.831 3.614 1.00 43.43 C ATOM 325 O PRO A 21 5.318 12.682 4.319 1.00 12.11 O ATOM 326 CB PRO A 21 7.832 14.799 4.271 1.00 2.21 C ATOM 327 CG PRO A 21 8.653 15.119 3.062 1.00 45.23 C ATOM 328 CD PRO A 21 9.602 13.951 2.885 1.00 33.45 C ATOM 0 HA PRO A 21 7.657 12.807 5.238 1.00 50.13 H new ATOM 0 HB2 PRO A 21 6.863 15.296 4.234 1.00 2.21 H new ATOM 0 HB3 PRO A 21 8.326 15.131 5.184 1.00 2.21 H new ATOM 0 HG2 PRO A 21 8.021 15.246 2.183 1.00 45.23 H new ATOM 0 HG3 PRO A 21 9.201 16.051 3.198 1.00 45.23 H new ATOM 0 HD2 PRO A 21 9.853 13.794 1.836 1.00 33.45 H new ATOM 0 HD3 PRO A 21 10.540 14.113 3.416 1.00 33.45 H new ATOM 336 N ASN A 22 6.322 12.639 2.285 1.00 0.13 N ATOM 337 CA ASN A 22 5.109 12.264 1.535 1.00 1.42 C ATOM 338 C ASN A 22 4.894 10.744 1.477 1.00 64.12 C ATOM 339 O ASN A 22 3.814 10.309 1.095 1.00 44.21 O ATOM 340 CB ASN A 22 5.134 12.861 0.101 1.00 43.24 C ATOM 341 CG ASN A 22 5.039 14.396 0.086 1.00 32.25 C ATOM 342 OD1 ASN A 22 5.604 15.081 0.939 1.00 53.41 O ATOM 343 ND2 ASN A 22 4.298 14.944 -0.866 1.00 43.32 N ATOM 0 H ASN A 22 7.153 12.738 1.701 1.00 0.13 H new ATOM 0 HA ASN A 22 4.266 12.687 2.081 1.00 1.42 H new ATOM 0 HB2 ASN A 22 6.053 12.555 -0.398 1.00 43.24 H new ATOM 0 HB3 ASN A 22 4.306 12.446 -0.474 1.00 43.24 H new ATOM 0 HD21 ASN A 22 4.185 15.957 -0.905 1.00 43.32 H new ATOM 0 HD22 ASN A 22 3.841 14.353 -1.560 1.00 43.32 H new ATOM 350 N SER A 23 5.891 9.937 1.867 1.00 21.22 N ATOM 351 CA SER A 23 5.794 8.461 1.757 1.00 4.44 C ATOM 352 C SER A 23 6.005 7.788 3.122 1.00 72.12 C ATOM 353 O SER A 23 6.827 8.239 3.907 1.00 72.14 O ATOM 354 CB SER A 23 6.813 7.938 0.714 1.00 20.12 C ATOM 355 OG SER A 23 6.628 6.551 0.442 1.00 5.13 O ATOM 0 H SER A 23 6.771 10.271 2.260 1.00 21.22 H new ATOM 0 HA SER A 23 4.790 8.205 1.419 1.00 4.44 H new ATOM 0 HB2 SER A 23 6.711 8.506 -0.210 1.00 20.12 H new ATOM 0 HB3 SER A 23 7.826 8.105 1.080 1.00 20.12 H new ATOM 0 HG SER A 23 5.686 6.315 0.571 1.00 5.13 H new ATOM 361 N LEU A 24 5.232 6.714 3.392 1.00 53.13 N ATOM 362 CA LEU A 24 5.343 5.901 4.626 1.00 64.31 C ATOM 363 C LEU A 24 5.401 4.411 4.242 1.00 4.34 C ATOM 364 O LEU A 24 4.732 3.987 3.294 1.00 62.42 O ATOM 365 CB LEU A 24 4.137 6.178 5.571 1.00 62.20 C ATOM 366 CG LEU A 24 4.127 5.434 6.952 1.00 44.15 C ATOM 367 CD1 LEU A 24 5.373 5.773 7.799 1.00 55.24 C ATOM 368 CD2 LEU A 24 2.826 5.737 7.727 1.00 35.15 C ATOM 0 H LEU A 24 4.507 6.383 2.755 1.00 53.13 H new ATOM 0 HA LEU A 24 6.254 6.172 5.159 1.00 64.31 H new ATOM 0 HB2 LEU A 24 4.097 7.250 5.764 1.00 62.20 H new ATOM 0 HB3 LEU A 24 3.223 5.916 5.039 1.00 62.20 H new ATOM 0 HG LEU A 24 4.162 4.364 6.748 1.00 44.15 H new ATOM 0 HD11 LEU A 24 5.326 5.237 8.747 1.00 55.24 H new ATOM 0 HD12 LEU A 24 6.272 5.476 7.259 1.00 55.24 H new ATOM 0 HD13 LEU A 24 5.402 6.846 7.990 1.00 55.24 H new ATOM 0 HD21 LEU A 24 2.840 5.211 8.682 1.00 35.15 H new ATOM 0 HD22 LEU A 24 2.750 6.810 7.905 1.00 35.15 H new ATOM 0 HD23 LEU A 24 1.968 5.404 7.142 1.00 35.15 H new ATOM 380 N LYS A 25 6.196 3.630 4.987 1.00 53.54 N ATOM 381 CA LYS A 25 6.438 2.204 4.711 1.00 34.41 C ATOM 382 C LYS A 25 5.613 1.341 5.698 1.00 20.30 C ATOM 383 O LYS A 25 5.664 1.560 6.910 1.00 2.34 O ATOM 384 CB LYS A 25 7.960 1.934 4.847 1.00 54.20 C ATOM 385 CG LYS A 25 8.436 0.533 4.420 1.00 52.14 C ATOM 386 CD LYS A 25 9.966 0.363 4.606 1.00 2.12 C ATOM 387 CE LYS A 25 10.466 -1.039 4.243 1.00 70.43 C ATOM 388 NZ LYS A 25 11.947 -1.151 4.336 1.00 50.33 N ATOM 0 H LYS A 25 6.695 3.973 5.808 1.00 53.54 H new ATOM 0 HA LYS A 25 6.124 1.941 3.701 1.00 34.41 H new ATOM 0 HB2 LYS A 25 8.495 2.675 4.253 1.00 54.20 H new ATOM 0 HB3 LYS A 25 8.246 2.092 5.887 1.00 54.20 H new ATOM 0 HG2 LYS A 25 7.913 -0.223 5.005 1.00 52.14 H new ATOM 0 HG3 LYS A 25 8.176 0.364 3.375 1.00 52.14 H new ATOM 0 HD2 LYS A 25 10.484 1.097 3.989 1.00 2.12 H new ATOM 0 HD3 LYS A 25 10.225 0.577 5.643 1.00 2.12 H new ATOM 0 HE2 LYS A 25 10.006 -1.770 4.908 1.00 70.43 H new ATOM 0 HE3 LYS A 25 10.148 -1.285 3.230 1.00 70.43 H new ATOM 0 HZ1 LYS A 25 12.239 -2.116 4.082 1.00 50.33 H new ATOM 0 HZ2 LYS A 25 12.388 -0.472 3.683 1.00 50.33 H new ATOM 0 HZ3 LYS A 25 12.251 -0.943 5.309 1.00 50.33 H new ATOM 402 N PHE A 26 4.846 0.376 5.160 1.00 40.43 N ATOM 403 CA PHE A 26 3.904 -0.471 5.931 1.00 40.33 C ATOM 404 C PHE A 26 4.350 -1.946 5.880 1.00 35.53 C ATOM 405 O PHE A 26 4.183 -2.605 4.855 1.00 64.32 O ATOM 406 CB PHE A 26 2.471 -0.331 5.329 1.00 71.42 C ATOM 407 CG PHE A 26 1.869 1.080 5.425 1.00 13.44 C ATOM 408 CD1 PHE A 26 2.123 2.049 4.446 1.00 75.02 C ATOM 409 CD2 PHE A 26 1.058 1.437 6.503 1.00 41.02 C ATOM 410 CE1 PHE A 26 1.581 3.319 4.546 1.00 32.25 C ATOM 411 CE2 PHE A 26 0.521 2.708 6.599 1.00 4.12 C ATOM 412 CZ PHE A 26 0.785 3.648 5.621 1.00 14.53 C ATOM 0 H PHE A 26 4.860 0.156 4.164 1.00 40.43 H new ATOM 0 HA PHE A 26 3.897 -0.143 6.971 1.00 40.33 H new ATOM 0 HB2 PHE A 26 2.502 -0.628 4.281 1.00 71.42 H new ATOM 0 HB3 PHE A 26 1.808 -1.030 5.839 1.00 71.42 H new ATOM 0 HD1 PHE A 26 2.750 1.802 3.602 1.00 75.02 H new ATOM 0 HD2 PHE A 26 0.847 0.710 7.273 1.00 41.02 H new ATOM 0 HE1 PHE A 26 1.783 4.053 3.780 1.00 32.25 H new ATOM 0 HE2 PHE A 26 -0.106 2.966 7.440 1.00 4.12 H new ATOM 0 HZ PHE A 26 0.367 4.641 5.700 1.00 14.53 H new ATOM 422 N ILE A 27 4.923 -2.464 6.983 1.00 71.44 N ATOM 423 CA ILE A 27 5.383 -3.867 7.070 1.00 35.03 C ATOM 424 C ILE A 27 4.226 -4.710 7.672 1.00 54.22 C ATOM 425 O ILE A 27 3.943 -4.583 8.866 1.00 71.32 O ATOM 426 CB ILE A 27 6.707 -4.012 7.949 1.00 0.11 C ATOM 427 CG1 ILE A 27 7.956 -3.362 7.247 1.00 32.24 C ATOM 428 CG2 ILE A 27 6.998 -5.493 8.328 1.00 62.13 C ATOM 429 CD1 ILE A 27 7.933 -1.844 7.147 1.00 33.43 C ATOM 0 H ILE A 27 5.080 -1.927 7.836 1.00 71.44 H new ATOM 0 HA ILE A 27 5.640 -4.224 6.073 1.00 35.03 H new ATOM 0 HB ILE A 27 6.522 -3.463 8.872 1.00 0.11 H new ATOM 0 HG12 ILE A 27 8.853 -3.660 7.791 1.00 32.24 H new ATOM 0 HG13 ILE A 27 8.041 -3.774 6.241 1.00 32.24 H new ATOM 0 HG21 ILE A 27 7.908 -5.544 8.926 1.00 62.13 H new ATOM 0 HG22 ILE A 27 6.163 -5.892 8.904 1.00 62.13 H new ATOM 0 HG23 ILE A 27 7.127 -6.082 7.420 1.00 62.13 H new ATOM 0 HD11 ILE A 27 8.838 -1.499 6.648 1.00 33.43 H new ATOM 0 HD12 ILE A 27 7.060 -1.530 6.574 1.00 33.43 H new ATOM 0 HD13 ILE A 27 7.884 -1.414 8.147 1.00 33.43 H new ATOM 441 N PRO A 28 3.523 -5.562 6.856 1.00 5.13 N ATOM 442 CA PRO A 28 2.347 -6.355 7.332 1.00 13.44 C ATOM 443 C PRO A 28 2.709 -7.553 8.243 1.00 75.43 C ATOM 444 O PRO A 28 1.829 -8.131 8.893 1.00 13.05 O ATOM 445 CB PRO A 28 1.704 -6.821 6.005 1.00 70.44 C ATOM 446 CG PRO A 28 2.852 -6.939 5.052 1.00 35.00 C ATOM 447 CD PRO A 28 3.792 -5.807 5.405 1.00 32.41 C ATOM 0 HA PRO A 28 1.691 -5.763 7.970 1.00 13.44 H new ATOM 0 HB2 PRO A 28 1.190 -7.774 6.127 1.00 70.44 H new ATOM 0 HB3 PRO A 28 0.965 -6.103 5.649 1.00 70.44 H new ATOM 0 HG2 PRO A 28 3.347 -7.905 5.152 1.00 35.00 H new ATOM 0 HG3 PRO A 28 2.514 -6.860 4.019 1.00 35.00 H new ATOM 0 HD2 PRO A 28 4.832 -6.082 5.231 1.00 32.41 H new ATOM 0 HD3 PRO A 28 3.592 -4.919 4.805 1.00 32.41 H new ATOM 455 N GLY A 29 4.004 -7.915 8.274 1.00 41.40 N ATOM 456 CA GLY A 29 4.483 -9.070 9.045 1.00 14.45 C ATOM 457 C GLY A 29 4.608 -10.324 8.185 1.00 74.31 C ATOM 458 O GLY A 29 5.188 -11.322 8.617 1.00 43.55 O ATOM 0 H GLY A 29 4.739 -7.419 7.770 1.00 41.40 H new ATOM 0 HA2 GLY A 29 5.452 -8.835 9.485 1.00 14.45 H new ATOM 0 HA3 GLY A 29 3.797 -9.264 9.870 1.00 14.45 H new ATOM 462 N LYS A 30 4.072 -10.256 6.951 1.00 33.45 N ATOM 463 CA LYS A 30 4.072 -11.366 5.984 1.00 71.11 C ATOM 464 C LYS A 30 4.617 -10.854 4.632 1.00 23.32 C ATOM 465 O LYS A 30 4.165 -9.805 4.155 1.00 31.21 O ATOM 466 CB LYS A 30 2.638 -11.941 5.811 1.00 42.42 C ATOM 467 CG LYS A 30 2.046 -12.599 7.088 1.00 5.32 C ATOM 468 CD LYS A 30 0.712 -13.334 6.815 1.00 22.12 C ATOM 469 CE LYS A 30 0.873 -14.482 5.805 1.00 53.41 C ATOM 470 NZ LYS A 30 -0.406 -15.186 5.550 1.00 24.20 N ATOM 0 H LYS A 30 3.620 -9.414 6.594 1.00 33.45 H new ATOM 0 HA LYS A 30 4.711 -12.168 6.353 1.00 71.11 H new ATOM 0 HB2 LYS A 30 1.975 -11.137 5.492 1.00 42.42 H new ATOM 0 HB3 LYS A 30 2.651 -12.680 5.010 1.00 42.42 H new ATOM 0 HG2 LYS A 30 2.769 -13.305 7.497 1.00 5.32 H new ATOM 0 HG3 LYS A 30 1.886 -11.832 7.846 1.00 5.32 H new ATOM 0 HD2 LYS A 30 0.320 -13.730 7.752 1.00 22.12 H new ATOM 0 HD3 LYS A 30 -0.022 -12.622 6.438 1.00 22.12 H new ATOM 0 HE2 LYS A 30 1.261 -14.086 4.867 1.00 53.41 H new ATOM 0 HE3 LYS A 30 1.609 -15.193 6.180 1.00 53.41 H new ATOM 0 HZ1 LYS A 30 -0.250 -15.952 4.864 1.00 24.20 H new ATOM 0 HZ2 LYS A 30 -0.765 -15.587 6.440 1.00 24.20 H new ATOM 0 HZ3 LYS A 30 -1.102 -14.514 5.167 1.00 24.20 H new ATOM 484 N PRO A 31 5.604 -11.567 3.994 1.00 71.53 N ATOM 485 CA PRO A 31 6.222 -11.129 2.717 1.00 15.24 C ATOM 486 C PRO A 31 5.204 -11.023 1.560 1.00 75.01 C ATOM 487 O PRO A 31 4.806 -12.042 0.978 1.00 40.40 O ATOM 488 CB PRO A 31 7.308 -12.207 2.442 1.00 61.42 C ATOM 489 CG PRO A 31 7.549 -12.846 3.780 1.00 3.44 C ATOM 490 CD PRO A 31 6.202 -12.846 4.460 1.00 22.53 C ATOM 0 HA PRO A 31 6.634 -10.123 2.789 1.00 15.24 H new ATOM 0 HB2 PRO A 31 6.966 -12.937 1.709 1.00 61.42 H new ATOM 0 HB3 PRO A 31 8.220 -11.760 2.045 1.00 61.42 H new ATOM 0 HG2 PRO A 31 7.936 -13.859 3.670 1.00 3.44 H new ATOM 0 HG3 PRO A 31 8.283 -12.286 4.359 1.00 3.44 H new ATOM 0 HD2 PRO A 31 5.600 -13.706 4.167 1.00 22.53 H new ATOM 0 HD3 PRO A 31 6.296 -12.878 5.545 1.00 22.53 H new ATOM 498 N VAL A 32 4.746 -9.779 1.282 1.00 64.14 N ATOM 499 CA VAL A 32 3.819 -9.496 0.166 1.00 50.41 C ATOM 500 C VAL A 32 4.482 -9.834 -1.189 1.00 2.04 C ATOM 501 O VAL A 32 3.881 -10.511 -2.030 1.00 31.02 O ATOM 502 CB VAL A 32 3.265 -8.011 0.193 1.00 22.44 C ATOM 503 CG1 VAL A 32 2.372 -7.772 1.433 1.00 12.32 C ATOM 504 CG2 VAL A 32 4.393 -6.965 0.122 1.00 12.35 C ATOM 0 H VAL A 32 5.007 -8.953 1.820 1.00 64.14 H new ATOM 0 HA VAL A 32 2.951 -10.143 0.294 1.00 50.41 H new ATOM 0 HB VAL A 32 2.654 -7.886 -0.701 1.00 22.44 H new ATOM 0 HG11 VAL A 32 2.006 -6.745 1.425 1.00 12.32 H new ATOM 0 HG12 VAL A 32 1.526 -8.459 1.410 1.00 12.32 H new ATOM 0 HG13 VAL A 32 2.954 -7.943 2.339 1.00 12.32 H new ATOM 0 HG21 VAL A 32 3.963 -5.964 0.144 1.00 12.35 H new ATOM 0 HG22 VAL A 32 5.061 -7.091 0.974 1.00 12.35 H new ATOM 0 HG23 VAL A 32 4.955 -7.098 -0.802 1.00 12.35 H new ATOM 514 N LEU A 33 5.740 -9.393 -1.376 1.00 22.23 N ATOM 515 CA LEU A 33 6.561 -9.754 -2.543 1.00 44.50 C ATOM 516 C LEU A 33 7.991 -10.073 -2.093 1.00 51.24 C ATOM 517 O LEU A 33 8.862 -9.200 -2.087 1.00 0.53 O ATOM 518 CB LEU A 33 6.550 -8.633 -3.627 1.00 4.11 C ATOM 519 CG LEU A 33 5.291 -8.536 -4.533 1.00 51.04 C ATOM 520 CD1 LEU A 33 5.444 -7.399 -5.560 1.00 53.15 C ATOM 521 CD2 LEU A 33 4.995 -9.883 -5.237 1.00 61.51 C ATOM 0 H LEU A 33 6.215 -8.774 -0.719 1.00 22.23 H new ATOM 0 HA LEU A 33 6.128 -10.642 -3.003 1.00 44.50 H new ATOM 0 HB2 LEU A 33 6.679 -7.675 -3.124 1.00 4.11 H new ATOM 0 HB3 LEU A 33 7.419 -8.775 -4.270 1.00 4.11 H new ATOM 0 HG LEU A 33 4.439 -8.306 -3.894 1.00 51.04 H new ATOM 0 HD11 LEU A 33 4.551 -7.349 -6.184 1.00 53.15 H new ATOM 0 HD12 LEU A 33 5.575 -6.452 -5.037 1.00 53.15 H new ATOM 0 HD13 LEU A 33 6.315 -7.590 -6.187 1.00 53.15 H new ATOM 0 HD21 LEU A 33 4.108 -9.780 -5.862 1.00 61.51 H new ATOM 0 HD22 LEU A 33 5.846 -10.164 -5.857 1.00 61.51 H new ATOM 0 HD23 LEU A 33 4.822 -10.655 -4.487 1.00 61.51 H new ATOM 533 N GLU A 34 8.197 -11.316 -1.652 1.00 21.25 N ATOM 534 CA GLU A 34 9.541 -11.868 -1.392 1.00 12.24 C ATOM 535 C GLU A 34 10.202 -12.202 -2.743 1.00 10.25 C ATOM 536 O GLU A 34 11.392 -11.956 -2.947 1.00 23.04 O ATOM 537 CB GLU A 34 9.415 -13.120 -0.464 1.00 4.45 C ATOM 538 CG GLU A 34 10.718 -13.917 -0.152 1.00 15.15 C ATOM 539 CD GLU A 34 11.113 -14.927 -1.250 1.00 32.21 C ATOM 540 OE1 GLU A 34 10.289 -15.817 -1.558 1.00 63.44 O ATOM 541 OE2 GLU A 34 12.226 -14.832 -1.813 1.00 24.12 O ATOM 0 H GLU A 34 7.440 -11.974 -1.463 1.00 21.25 H new ATOM 0 HA GLU A 34 10.173 -11.145 -0.876 1.00 12.24 H new ATOM 0 HB2 GLU A 34 8.984 -12.795 0.483 1.00 4.45 H new ATOM 0 HB3 GLU A 34 8.701 -13.806 -0.920 1.00 4.45 H new ATOM 0 HG2 GLU A 34 11.537 -13.212 -0.009 1.00 15.15 H new ATOM 0 HG3 GLU A 34 10.589 -14.451 0.789 1.00 15.15 H new ATOM 548 N THR A 35 9.381 -12.754 -3.655 1.00 15.14 N ATOM 549 CA THR A 35 9.798 -13.197 -4.997 1.00 13.52 C ATOM 550 C THR A 35 10.349 -12.036 -5.869 1.00 34.04 C ATOM 551 O THR A 35 11.316 -12.228 -6.613 1.00 11.33 O ATOM 552 CB THR A 35 8.606 -13.918 -5.725 1.00 44.35 C ATOM 553 OG1 THR A 35 8.990 -14.338 -7.050 1.00 60.11 O ATOM 554 CG2 THR A 35 7.343 -13.034 -5.813 1.00 53.53 C ATOM 0 H THR A 35 8.389 -12.907 -3.475 1.00 15.14 H new ATOM 0 HA THR A 35 10.618 -13.902 -4.861 1.00 13.52 H new ATOM 0 HB THR A 35 8.362 -14.791 -5.120 1.00 44.35 H new ATOM 0 HG1 THR A 35 8.233 -14.785 -7.483 1.00 60.11 H new ATOM 0 HG21 THR A 35 6.551 -13.581 -6.325 1.00 53.53 H new ATOM 0 HG22 THR A 35 7.012 -12.772 -4.808 1.00 53.53 H new ATOM 0 HG23 THR A 35 7.573 -12.125 -6.368 1.00 53.53 H new ATOM 562 N ARG A 36 9.745 -10.833 -5.745 1.00 1.34 N ATOM 563 CA ARG A 36 10.105 -9.658 -6.581 1.00 60.31 C ATOM 564 C ARG A 36 9.710 -8.333 -5.888 1.00 34.53 C ATOM 565 O ARG A 36 9.462 -8.303 -4.687 1.00 2.21 O ATOM 566 CB ARG A 36 9.427 -9.757 -7.983 1.00 72.10 C ATOM 567 CG ARG A 36 7.879 -9.758 -7.960 1.00 34.32 C ATOM 568 CD ARG A 36 7.261 -9.507 -9.345 1.00 64.25 C ATOM 569 NE ARG A 36 7.700 -10.484 -10.356 1.00 15.12 N ATOM 570 CZ ARG A 36 7.641 -10.302 -11.685 1.00 55.22 C ATOM 571 NH1 ARG A 36 7.166 -9.172 -12.204 1.00 12.31 N ATOM 572 NH2 ARG A 36 8.069 -11.262 -12.489 1.00 43.34 N ATOM 0 H ARG A 36 9.002 -10.647 -5.071 1.00 1.34 H new ATOM 0 HA ARG A 36 11.187 -9.661 -6.711 1.00 60.31 H new ATOM 0 HB2 ARG A 36 9.766 -8.921 -8.594 1.00 72.10 H new ATOM 0 HB3 ARG A 36 9.769 -10.669 -8.472 1.00 72.10 H new ATOM 0 HG2 ARG A 36 7.527 -10.716 -7.579 1.00 34.32 H new ATOM 0 HG3 ARG A 36 7.530 -8.992 -7.268 1.00 34.32 H new ATOM 0 HD2 ARG A 36 6.175 -9.540 -9.263 1.00 64.25 H new ATOM 0 HD3 ARG A 36 7.525 -8.503 -9.678 1.00 64.25 H new ATOM 0 HE ARG A 36 8.079 -11.369 -10.020 1.00 15.12 H new ATOM 0 HH11 ARG A 36 6.839 -8.426 -11.589 1.00 12.31 H new ATOM 0 HH12 ARG A 36 7.129 -9.052 -13.216 1.00 12.31 H new ATOM 0 HH21 ARG A 36 8.438 -12.128 -12.097 1.00 43.34 H new ATOM 0 HH22 ARG A 36 8.029 -11.136 -13.500 1.00 43.34 H new ATOM 586 N THR A 37 9.740 -7.233 -6.658 1.00 44.44 N ATOM 587 CA THR A 37 9.176 -5.919 -6.275 1.00 34.41 C ATOM 588 C THR A 37 8.336 -5.396 -7.455 1.00 15.44 C ATOM 589 O THR A 37 8.678 -5.676 -8.616 1.00 72.34 O ATOM 590 CB THR A 37 10.304 -4.877 -5.935 1.00 60.45 C ATOM 591 OG1 THR A 37 11.255 -4.813 -7.011 1.00 63.13 O ATOM 592 CG2 THR A 37 11.042 -5.205 -4.622 1.00 45.21 C ATOM 0 H THR A 37 10.165 -7.228 -7.585 1.00 44.44 H new ATOM 0 HA THR A 37 8.565 -6.046 -5.381 1.00 34.41 H new ATOM 0 HB THR A 37 9.813 -3.913 -5.804 1.00 60.45 H new ATOM 0 HG1 THR A 37 11.953 -4.161 -6.792 1.00 63.13 H new ATOM 0 HG21 THR A 37 11.809 -4.453 -4.438 1.00 45.21 H new ATOM 0 HG22 THR A 37 10.331 -5.208 -3.796 1.00 45.21 H new ATOM 0 HG23 THR A 37 11.509 -6.187 -4.702 1.00 45.21 H new ATOM 600 N MET A 38 7.246 -4.650 -7.177 1.00 44.35 N ATOM 601 CA MET A 38 6.342 -4.119 -8.229 1.00 54.41 C ATOM 602 C MET A 38 5.871 -2.706 -7.864 1.00 42.34 C ATOM 603 O MET A 38 5.372 -2.471 -6.759 1.00 42.44 O ATOM 604 CB MET A 38 5.122 -5.060 -8.467 1.00 43.35 C ATOM 605 CG MET A 38 5.468 -6.353 -9.215 1.00 63.23 C ATOM 606 SD MET A 38 4.059 -7.444 -9.461 1.00 13.23 S ATOM 607 CE MET A 38 2.973 -6.421 -10.444 1.00 34.35 C ATOM 0 H MET A 38 6.966 -4.399 -6.229 1.00 44.35 H new ATOM 0 HA MET A 38 6.906 -4.072 -9.160 1.00 54.41 H new ATOM 0 HB2 MET A 38 4.681 -5.317 -7.504 1.00 43.35 H new ATOM 0 HB3 MET A 38 4.363 -4.518 -9.031 1.00 43.35 H new ATOM 0 HG2 MET A 38 5.893 -6.098 -10.186 1.00 63.23 H new ATOM 0 HG3 MET A 38 6.239 -6.888 -8.660 1.00 63.23 H new ATOM 0 HE1 MET A 38 2.610 -6.992 -11.299 1.00 34.35 H new ATOM 0 HE2 MET A 38 2.127 -6.100 -9.836 1.00 34.35 H new ATOM 0 HE3 MET A 38 3.519 -5.546 -10.797 1.00 34.35 H new ATOM 617 N ASP A 39 6.051 -1.779 -8.812 1.00 24.22 N ATOM 618 CA ASP A 39 5.695 -0.360 -8.662 1.00 5.52 C ATOM 619 C ASP A 39 4.322 -0.079 -9.283 1.00 23.43 C ATOM 620 O ASP A 39 3.947 -0.675 -10.298 1.00 1.43 O ATOM 621 CB ASP A 39 6.783 0.517 -9.342 1.00 33.51 C ATOM 622 CG ASP A 39 6.874 0.298 -10.868 1.00 44.44 C ATOM 623 OD1 ASP A 39 7.309 -0.798 -11.293 1.00 50.12 O ATOM 624 OD2 ASP A 39 6.488 1.191 -11.642 1.00 64.53 O ATOM 0 H ASP A 39 6.456 -1.996 -9.723 1.00 24.22 H new ATOM 0 HA ASP A 39 5.643 -0.116 -7.601 1.00 5.52 H new ATOM 0 HB2 ASP A 39 6.570 1.567 -9.144 1.00 33.51 H new ATOM 0 HB3 ASP A 39 7.751 0.298 -8.892 1.00 33.51 H new ATOM 629 N PHE A 40 3.563 0.806 -8.630 1.00 64.24 N ATOM 630 CA PHE A 40 2.267 1.311 -9.129 1.00 15.42 C ATOM 631 C PHE A 40 2.270 2.849 -9.007 1.00 11.21 C ATOM 632 O PHE A 40 1.770 3.396 -8.017 1.00 72.13 O ATOM 633 CB PHE A 40 1.084 0.672 -8.339 1.00 54.01 C ATOM 634 CG PHE A 40 1.203 -0.847 -8.221 1.00 42.32 C ATOM 635 CD1 PHE A 40 0.750 -1.688 -9.234 1.00 23.51 C ATOM 636 CD2 PHE A 40 1.820 -1.430 -7.114 1.00 44.23 C ATOM 637 CE1 PHE A 40 0.897 -3.058 -9.143 1.00 23.22 C ATOM 638 CE2 PHE A 40 1.973 -2.794 -7.032 1.00 32.11 C ATOM 639 CZ PHE A 40 1.509 -3.610 -8.042 1.00 24.43 C ATOM 0 H PHE A 40 3.829 1.201 -7.728 1.00 64.24 H new ATOM 0 HA PHE A 40 2.131 1.033 -10.174 1.00 15.42 H new ATOM 0 HB2 PHE A 40 1.043 1.107 -7.341 1.00 54.01 H new ATOM 0 HB3 PHE A 40 0.146 0.921 -8.834 1.00 54.01 H new ATOM 0 HD1 PHE A 40 0.276 -1.262 -10.106 1.00 23.51 H new ATOM 0 HD2 PHE A 40 2.182 -0.803 -6.312 1.00 44.23 H new ATOM 0 HE1 PHE A 40 0.532 -3.695 -9.935 1.00 23.22 H new ATOM 0 HE2 PHE A 40 2.459 -3.229 -6.171 1.00 32.11 H new ATOM 0 HZ PHE A 40 1.626 -4.681 -7.969 1.00 24.43 H new ATOM 649 N PRO A 41 2.908 3.575 -9.984 1.00 65.13 N ATOM 650 CA PRO A 41 2.997 5.057 -9.947 1.00 32.13 C ATOM 651 C PRO A 41 1.632 5.718 -10.205 1.00 71.34 C ATOM 652 O PRO A 41 1.306 6.763 -9.636 1.00 4.35 O ATOM 653 CB PRO A 41 4.012 5.399 -11.082 1.00 32.13 C ATOM 654 CG PRO A 41 4.633 4.085 -11.483 1.00 13.53 C ATOM 655 CD PRO A 41 3.597 3.029 -11.190 1.00 21.40 C ATOM 0 HA PRO A 41 3.312 5.427 -8.971 1.00 32.13 H new ATOM 0 HB2 PRO A 41 3.510 5.869 -11.928 1.00 32.13 H new ATOM 0 HB3 PRO A 41 4.770 6.100 -10.732 1.00 32.13 H new ATOM 0 HG2 PRO A 41 4.901 4.086 -12.540 1.00 13.53 H new ATOM 0 HG3 PRO A 41 5.549 3.899 -10.922 1.00 13.53 H new ATOM 0 HD2 PRO A 41 2.908 2.894 -12.024 1.00 21.40 H new ATOM 0 HD3 PRO A 41 4.052 2.058 -10.992 1.00 21.40 H new ATOM 663 N THR A 42 0.846 5.069 -11.071 1.00 4.13 N ATOM 664 CA THR A 42 -0.436 5.574 -11.569 1.00 25.04 C ATOM 665 C THR A 42 -1.589 4.648 -11.106 1.00 42.04 C ATOM 666 O THR A 42 -1.361 3.445 -10.883 1.00 43.20 O ATOM 667 CB THR A 42 -0.393 5.647 -13.132 1.00 54.11 C ATOM 668 OG1 THR A 42 -0.146 4.342 -13.681 1.00 71.42 O ATOM 669 CG2 THR A 42 0.687 6.630 -13.634 1.00 25.34 C ATOM 0 H THR A 42 1.091 4.156 -11.454 1.00 4.13 H new ATOM 0 HA THR A 42 -0.613 6.572 -11.168 1.00 25.04 H new ATOM 0 HB THR A 42 -1.363 6.013 -13.467 1.00 54.11 H new ATOM 0 HG1 THR A 42 -0.123 4.398 -14.659 1.00 71.42 H new ATOM 0 HG21 THR A 42 0.683 6.650 -14.724 1.00 25.34 H new ATOM 0 HG22 THR A 42 0.476 7.629 -13.252 1.00 25.34 H new ATOM 0 HG23 THR A 42 1.666 6.306 -13.281 1.00 25.34 H new ATOM 677 N PRO A 43 -2.851 5.193 -10.946 1.00 5.20 N ATOM 678 CA PRO A 43 -4.053 4.381 -10.610 1.00 64.21 C ATOM 679 C PRO A 43 -4.365 3.297 -11.663 1.00 42.10 C ATOM 680 O PRO A 43 -4.998 2.286 -11.345 1.00 1.43 O ATOM 681 CB PRO A 43 -5.200 5.427 -10.525 1.00 55.25 C ATOM 682 CG PRO A 43 -4.502 6.733 -10.282 1.00 3.20 C ATOM 683 CD PRO A 43 -3.199 6.640 -11.042 1.00 52.41 C ATOM 0 HA PRO A 43 -3.909 3.822 -9.685 1.00 64.21 H new ATOM 0 HB2 PRO A 43 -5.782 5.454 -11.446 1.00 55.25 H new ATOM 0 HB3 PRO A 43 -5.893 5.191 -9.717 1.00 55.25 H new ATOM 0 HG2 PRO A 43 -5.103 7.571 -10.634 1.00 3.20 H new ATOM 0 HG3 PRO A 43 -4.326 6.892 -9.218 1.00 3.20 H new ATOM 0 HD2 PRO A 43 -3.314 6.959 -12.078 1.00 52.41 H new ATOM 0 HD3 PRO A 43 -2.428 7.270 -10.598 1.00 52.41 H new ATOM 691 N ALA A 44 -3.914 3.526 -12.911 1.00 52.41 N ATOM 692 CA ALA A 44 -4.089 2.579 -14.023 1.00 24.23 C ATOM 693 C ALA A 44 -3.170 1.358 -13.854 1.00 70.14 C ATOM 694 O ALA A 44 -3.630 0.222 -13.980 1.00 71.40 O ATOM 695 CB ALA A 44 -3.818 3.278 -15.359 1.00 2.21 C ATOM 0 H ALA A 44 -3.417 4.377 -13.175 1.00 52.41 H new ATOM 0 HA ALA A 44 -5.120 2.226 -14.016 1.00 24.23 H new ATOM 0 HB1 ALA A 44 -3.950 2.567 -16.175 1.00 2.21 H new ATOM 0 HB2 ALA A 44 -4.514 4.107 -15.483 1.00 2.21 H new ATOM 0 HB3 ALA A 44 -2.796 3.657 -15.371 1.00 2.21 H new ATOM 701 N ALA A 45 -1.879 1.616 -13.519 1.00 31.13 N ATOM 702 CA ALA A 45 -0.838 0.561 -13.347 1.00 41.15 C ATOM 703 C ALA A 45 -1.187 -0.429 -12.226 1.00 43.44 C ATOM 704 O ALA A 45 -0.676 -1.564 -12.203 1.00 62.43 O ATOM 705 CB ALA A 45 0.536 1.205 -13.072 1.00 72.55 C ATOM 0 H ALA A 45 -1.528 2.560 -13.360 1.00 31.13 H new ATOM 0 HA ALA A 45 -0.798 -0.003 -14.279 1.00 41.15 H new ATOM 0 HB1 ALA A 45 1.286 0.424 -12.949 1.00 72.55 H new ATOM 0 HB2 ALA A 45 0.813 1.844 -13.910 1.00 72.55 H new ATOM 0 HB3 ALA A 45 0.482 1.803 -12.162 1.00 72.55 H new ATOM 711 N ALA A 46 -2.078 0.012 -11.321 1.00 74.35 N ATOM 712 CA ALA A 46 -2.547 -0.764 -10.171 1.00 34.12 C ATOM 713 C ALA A 46 -3.275 -2.068 -10.552 1.00 75.42 C ATOM 714 O ALA A 46 -3.461 -2.912 -9.678 1.00 72.10 O ATOM 715 CB ALA A 46 -3.448 0.115 -9.304 1.00 20.25 C ATOM 0 H ALA A 46 -2.499 0.940 -11.374 1.00 74.35 H new ATOM 0 HA ALA A 46 -1.662 -1.073 -9.616 1.00 34.12 H new ATOM 0 HB1 ALA A 46 -3.800 -0.459 -8.446 1.00 20.25 H new ATOM 0 HB2 ALA A 46 -2.885 0.981 -8.955 1.00 20.25 H new ATOM 0 HB3 ALA A 46 -4.303 0.451 -9.891 1.00 20.25 H new ATOM 721 N PHE A 47 -3.657 -2.240 -11.850 1.00 74.21 N ATOM 722 CA PHE A 47 -4.403 -3.441 -12.329 1.00 63.10 C ATOM 723 C PHE A 47 -3.656 -4.753 -12.031 1.00 73.44 C ATOM 724 O PHE A 47 -4.274 -5.808 -11.882 1.00 25.52 O ATOM 725 CB PHE A 47 -4.727 -3.346 -13.855 1.00 21.32 C ATOM 726 CG PHE A 47 -3.547 -3.538 -14.830 1.00 41.31 C ATOM 727 CD1 PHE A 47 -2.655 -2.501 -15.105 1.00 0.14 C ATOM 728 CD2 PHE A 47 -3.356 -4.753 -15.498 1.00 22.44 C ATOM 729 CE1 PHE A 47 -1.618 -2.668 -16.005 1.00 52.15 C ATOM 730 CE2 PHE A 47 -2.315 -4.919 -16.394 1.00 23.04 C ATOM 731 CZ PHE A 47 -1.448 -3.875 -16.650 1.00 62.54 C ATOM 0 H PHE A 47 -3.460 -1.560 -12.584 1.00 74.21 H new ATOM 0 HA PHE A 47 -5.340 -3.456 -11.773 1.00 63.10 H new ATOM 0 HB2 PHE A 47 -5.485 -4.093 -14.088 1.00 21.32 H new ATOM 0 HB3 PHE A 47 -5.172 -2.370 -14.048 1.00 21.32 H new ATOM 0 HD1 PHE A 47 -2.776 -1.551 -14.606 1.00 0.14 H new ATOM 0 HD2 PHE A 47 -4.032 -5.574 -15.311 1.00 22.44 H new ATOM 0 HE1 PHE A 47 -0.940 -1.851 -16.203 1.00 52.15 H new ATOM 0 HE2 PHE A 47 -2.180 -5.867 -16.894 1.00 23.04 H new ATOM 0 HZ PHE A 47 -0.639 -4.003 -17.354 1.00 62.54 H new ATOM 741 N ARG A 48 -2.325 -4.651 -11.920 1.00 54.31 N ATOM 742 CA ARG A 48 -1.425 -5.799 -11.711 1.00 62.11 C ATOM 743 C ARG A 48 -1.475 -6.367 -10.279 1.00 51.01 C ATOM 744 O ARG A 48 -0.786 -7.346 -9.973 1.00 0.13 O ATOM 745 CB ARG A 48 0.003 -5.379 -12.099 1.00 14.31 C ATOM 746 CG ARG A 48 0.128 -4.878 -13.546 1.00 31.20 C ATOM 747 CD ARG A 48 1.569 -4.586 -13.961 1.00 42.34 C ATOM 748 NE ARG A 48 2.215 -3.535 -13.154 1.00 71.13 N ATOM 749 CZ ARG A 48 3.549 -3.346 -13.084 1.00 23.22 C ATOM 750 NH1 ARG A 48 4.384 -4.124 -13.766 1.00 63.14 N ATOM 751 NH2 ARG A 48 4.041 -2.356 -12.357 1.00 5.52 N ATOM 0 H ARG A 48 -1.834 -3.758 -11.973 1.00 54.31 H new ATOM 0 HA ARG A 48 -1.765 -6.614 -12.349 1.00 62.11 H new ATOM 0 HB2 ARG A 48 0.338 -4.593 -11.422 1.00 14.31 H new ATOM 0 HB3 ARG A 48 0.673 -6.228 -11.959 1.00 14.31 H new ATOM 0 HG2 ARG A 48 -0.293 -5.625 -14.219 1.00 31.20 H new ATOM 0 HG3 ARG A 48 -0.467 -3.972 -13.662 1.00 31.20 H new ATOM 0 HD2 ARG A 48 2.153 -5.503 -13.883 1.00 42.34 H new ATOM 0 HD3 ARG A 48 1.583 -4.287 -15.009 1.00 42.34 H new ATOM 0 HE ARG A 48 1.615 -2.911 -12.614 1.00 71.13 H new ATOM 0 HH11 ARG A 48 4.018 -4.875 -14.351 1.00 63.14 H new ATOM 0 HH12 ARG A 48 5.390 -3.970 -13.704 1.00 63.14 H new ATOM 0 HH21 ARG A 48 3.412 -1.735 -11.849 1.00 5.52 H new ATOM 0 HH22 ARG A 48 5.050 -2.214 -12.305 1.00 5.52 H new ATOM 765 N SER A 49 -2.309 -5.759 -9.423 1.00 74.54 N ATOM 766 CA SER A 49 -2.550 -6.218 -8.060 1.00 70.20 C ATOM 767 C SER A 49 -3.960 -5.788 -7.617 1.00 60.25 C ATOM 768 O SER A 49 -4.305 -4.607 -7.742 1.00 63.42 O ATOM 769 CB SER A 49 -1.492 -5.640 -7.100 1.00 40.22 C ATOM 770 OG SER A 49 -1.854 -5.854 -5.737 1.00 21.13 O ATOM 0 H SER A 49 -2.840 -4.923 -9.668 1.00 74.54 H new ATOM 0 HA SER A 49 -2.478 -7.305 -8.033 1.00 70.20 H new ATOM 0 HB2 SER A 49 -0.526 -6.104 -7.299 1.00 40.22 H new ATOM 0 HB3 SER A 49 -1.376 -4.572 -7.284 1.00 40.22 H new ATOM 0 HG SER A 49 -1.683 -6.788 -5.496 1.00 21.13 H new ATOM 776 N PRO A 50 -4.797 -6.725 -7.071 1.00 53.41 N ATOM 777 CA PRO A 50 -6.111 -6.368 -6.493 1.00 51.52 C ATOM 778 C PRO A 50 -5.943 -5.462 -5.259 1.00 44.31 C ATOM 779 O PRO A 50 -6.751 -4.558 -5.027 1.00 61.33 O ATOM 780 CB PRO A 50 -6.745 -7.734 -6.118 1.00 31.33 C ATOM 781 CG PRO A 50 -5.929 -8.761 -6.849 1.00 52.23 C ATOM 782 CD PRO A 50 -4.540 -8.183 -6.969 1.00 1.11 C ATOM 0 HA PRO A 50 -6.735 -5.802 -7.185 1.00 51.52 H new ATOM 0 HB2 PRO A 50 -6.714 -7.900 -5.041 1.00 31.33 H new ATOM 0 HB3 PRO A 50 -7.792 -7.777 -6.417 1.00 31.33 H new ATOM 0 HG2 PRO A 50 -5.913 -9.705 -6.305 1.00 52.23 H new ATOM 0 HG3 PRO A 50 -6.352 -8.967 -7.832 1.00 52.23 H new ATOM 0 HD2 PRO A 50 -3.925 -8.425 -6.102 1.00 1.11 H new ATOM 0 HD3 PRO A 50 -4.018 -8.564 -7.847 1.00 1.11 H new ATOM 790 N LEU A 51 -4.847 -5.696 -4.497 1.00 3.22 N ATOM 791 CA LEU A 51 -4.532 -4.925 -3.288 1.00 65.42 C ATOM 792 C LEU A 51 -4.189 -3.479 -3.652 1.00 53.21 C ATOM 793 O LEU A 51 -4.687 -2.557 -3.012 1.00 44.55 O ATOM 794 CB LEU A 51 -3.357 -5.561 -2.494 1.00 32.53 C ATOM 795 CG LEU A 51 -2.979 -4.857 -1.146 1.00 21.53 C ATOM 796 CD1 LEU A 51 -4.213 -4.678 -0.228 1.00 52.15 C ATOM 797 CD2 LEU A 51 -1.841 -5.619 -0.423 1.00 11.02 C ATOM 0 H LEU A 51 -4.164 -6.423 -4.709 1.00 3.22 H new ATOM 0 HA LEU A 51 -5.417 -4.937 -2.652 1.00 65.42 H new ATOM 0 HB2 LEU A 51 -3.609 -6.600 -2.280 1.00 32.53 H new ATOM 0 HB3 LEU A 51 -2.475 -5.572 -3.135 1.00 32.53 H new ATOM 0 HG LEU A 51 -2.612 -3.859 -1.387 1.00 21.53 H new ATOM 0 HD11 LEU A 51 -3.910 -4.186 0.697 1.00 52.15 H new ATOM 0 HD12 LEU A 51 -4.959 -4.067 -0.736 1.00 52.15 H new ATOM 0 HD13 LEU A 51 -4.639 -5.654 0.003 1.00 52.15 H new ATOM 0 HD21 LEU A 51 -1.597 -5.110 0.510 1.00 11.02 H new ATOM 0 HD22 LEU A 51 -2.165 -6.637 -0.207 1.00 11.02 H new ATOM 0 HD23 LEU A 51 -0.959 -5.647 -1.062 1.00 11.02 H new ATOM 809 N ALA A 52 -3.381 -3.304 -4.720 1.00 3.11 N ATOM 810 CA ALA A 52 -2.955 -1.969 -5.186 1.00 44.11 C ATOM 811 C ALA A 52 -4.174 -1.134 -5.606 1.00 41.53 C ATOM 812 O ALA A 52 -4.285 0.035 -5.241 1.00 74.42 O ATOM 813 CB ALA A 52 -1.958 -2.088 -6.343 1.00 24.52 C ATOM 0 H ALA A 52 -3.010 -4.074 -5.276 1.00 3.11 H new ATOM 0 HA ALA A 52 -2.456 -1.462 -4.360 1.00 44.11 H new ATOM 0 HB1 ALA A 52 -1.659 -1.092 -6.669 1.00 24.52 H new ATOM 0 HB2 ALA A 52 -1.079 -2.640 -6.011 1.00 24.52 H new ATOM 0 HB3 ALA A 52 -2.426 -2.616 -7.174 1.00 24.52 H new ATOM 819 N ARG A 53 -5.109 -1.790 -6.327 1.00 1.44 N ATOM 820 CA ARG A 53 -6.392 -1.188 -6.749 1.00 65.21 C ATOM 821 C ARG A 53 -7.229 -0.721 -5.541 1.00 5.54 C ATOM 822 O ARG A 53 -7.817 0.368 -5.562 1.00 64.13 O ATOM 823 CB ARG A 53 -7.208 -2.209 -7.585 1.00 52.40 C ATOM 824 CG ARG A 53 -6.628 -2.510 -8.979 1.00 44.04 C ATOM 825 CD ARG A 53 -7.474 -3.517 -9.784 1.00 52.24 C ATOM 826 NE ARG A 53 -8.910 -3.178 -9.760 1.00 72.03 N ATOM 827 CZ ARG A 53 -9.666 -2.818 -10.812 1.00 63.11 C ATOM 828 NH1 ARG A 53 -9.157 -2.713 -12.040 1.00 21.12 N ATOM 829 NH2 ARG A 53 -10.951 -2.574 -10.616 1.00 40.40 N ATOM 0 H ARG A 53 -4.994 -2.756 -6.634 1.00 1.44 H new ATOM 0 HA ARG A 53 -6.161 -0.313 -7.357 1.00 65.21 H new ATOM 0 HB2 ARG A 53 -7.277 -3.142 -7.026 1.00 52.40 H new ATOM 0 HB3 ARG A 53 -8.224 -1.832 -7.703 1.00 52.40 H new ATOM 0 HG2 ARG A 53 -6.550 -1.580 -9.541 1.00 44.04 H new ATOM 0 HG3 ARG A 53 -5.617 -2.902 -8.868 1.00 44.04 H new ATOM 0 HD2 ARG A 53 -7.124 -3.540 -10.816 1.00 52.24 H new ATOM 0 HD3 ARG A 53 -7.331 -4.518 -9.376 1.00 52.24 H new ATOM 0 HE ARG A 53 -9.376 -3.221 -8.854 1.00 72.03 H new ATOM 0 HH11 ARG A 53 -8.169 -2.908 -12.201 1.00 21.12 H new ATOM 0 HH12 ARG A 53 -9.756 -2.438 -12.818 1.00 21.12 H new ATOM 0 HH21 ARG A 53 -11.350 -2.660 -9.681 1.00 40.40 H new ATOM 0 HH22 ARG A 53 -11.543 -2.299 -11.400 1.00 40.40 H new ATOM 843 N GLN A 54 -7.260 -1.558 -4.489 1.00 61.40 N ATOM 844 CA GLN A 54 -8.011 -1.272 -3.253 1.00 3.33 C ATOM 845 C GLN A 54 -7.329 -0.160 -2.425 1.00 32.30 C ATOM 846 O GLN A 54 -8.001 0.584 -1.705 1.00 75.25 O ATOM 847 CB GLN A 54 -8.177 -2.564 -2.416 1.00 22.22 C ATOM 848 CG GLN A 54 -9.049 -3.645 -3.078 1.00 34.21 C ATOM 849 CD GLN A 54 -9.147 -4.928 -2.246 1.00 1.11 C ATOM 850 OE1 GLN A 54 -10.034 -5.072 -1.405 1.00 71.53 O ATOM 851 NE2 GLN A 54 -8.241 -5.869 -2.479 1.00 0.11 N ATOM 0 H GLN A 54 -6.766 -2.450 -4.471 1.00 61.40 H new ATOM 0 HA GLN A 54 -9.000 -0.910 -3.532 1.00 3.33 H new ATOM 0 HB2 GLN A 54 -7.190 -2.982 -2.217 1.00 22.22 H new ATOM 0 HB3 GLN A 54 -8.613 -2.304 -1.452 1.00 22.22 H new ATOM 0 HG2 GLN A 54 -10.051 -3.247 -3.241 1.00 34.21 H new ATOM 0 HG3 GLN A 54 -8.638 -3.885 -4.059 1.00 34.21 H new ATOM 0 HE21 GLN A 54 -7.519 -5.718 -3.183 1.00 0.11 H new ATOM 0 HE22 GLN A 54 -8.267 -6.743 -1.954 1.00 0.11 H new ATOM 860 N LEU A 55 -5.992 -0.055 -2.540 1.00 44.04 N ATOM 861 CA LEU A 55 -5.207 0.997 -1.866 1.00 72.33 C ATOM 862 C LEU A 55 -5.399 2.362 -2.563 1.00 73.01 C ATOM 863 O LEU A 55 -5.466 3.384 -1.895 1.00 52.51 O ATOM 864 CB LEU A 55 -3.706 0.601 -1.770 1.00 1.25 C ATOM 865 CG LEU A 55 -3.383 -0.634 -0.858 1.00 41.33 C ATOM 866 CD1 LEU A 55 -1.882 -0.989 -0.898 1.00 53.41 C ATOM 867 CD2 LEU A 55 -3.866 -0.411 0.594 1.00 11.15 C ATOM 0 H LEU A 55 -5.427 -0.694 -3.100 1.00 44.04 H new ATOM 0 HA LEU A 55 -5.579 1.098 -0.846 1.00 72.33 H new ATOM 0 HB2 LEU A 55 -3.340 0.392 -2.775 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -3.146 1.459 -1.399 1.00 1.25 H new ATOM 0 HG LEU A 55 -3.934 -1.484 -1.260 1.00 41.33 H new ATOM 0 HD11 LEU A 55 -1.694 -1.849 -0.255 1.00 53.41 H new ATOM 0 HD12 LEU A 55 -1.592 -1.230 -1.921 1.00 53.41 H new ATOM 0 HD13 LEU A 55 -1.298 -0.139 -0.547 1.00 53.41 H new ATOM 0 HD21 LEU A 55 -3.625 -1.287 1.196 1.00 11.15 H new ATOM 0 HD22 LEU A 55 -3.369 0.465 1.012 1.00 11.15 H new ATOM 0 HD23 LEU A 55 -4.944 -0.253 0.598 1.00 11.15 H new ATOM 879 N PHE A 56 -5.543 2.367 -3.906 1.00 13.01 N ATOM 880 CA PHE A 56 -5.842 3.608 -4.679 1.00 44.44 C ATOM 881 C PHE A 56 -7.288 4.107 -4.438 1.00 24.03 C ATOM 882 O PHE A 56 -7.628 5.232 -4.816 1.00 23.22 O ATOM 883 CB PHE A 56 -5.563 3.408 -6.203 1.00 30.34 C ATOM 884 CG PHE A 56 -4.089 3.587 -6.599 1.00 34.44 C ATOM 885 CD1 PHE A 56 -3.572 4.857 -6.860 1.00 23.42 C ATOM 886 CD2 PHE A 56 -3.231 2.500 -6.725 1.00 60.14 C ATOM 887 CE1 PHE A 56 -2.252 5.022 -7.232 1.00 74.13 C ATOM 888 CE2 PHE A 56 -1.910 2.668 -7.095 1.00 42.31 C ATOM 889 CZ PHE A 56 -1.424 3.927 -7.351 1.00 31.44 C ATOM 0 H PHE A 56 -5.458 1.530 -4.483 1.00 13.01 H new ATOM 0 HA PHE A 56 -5.168 4.382 -4.312 1.00 44.44 H new ATOM 0 HB2 PHE A 56 -5.887 2.409 -6.493 1.00 30.34 H new ATOM 0 HB3 PHE A 56 -6.169 4.116 -6.768 1.00 30.34 H new ATOM 0 HD1 PHE A 56 -4.212 5.722 -6.770 1.00 23.42 H new ATOM 0 HD2 PHE A 56 -3.604 1.505 -6.530 1.00 60.14 H new ATOM 0 HE1 PHE A 56 -1.868 6.012 -7.430 1.00 74.13 H new ATOM 0 HE2 PHE A 56 -1.260 1.810 -7.183 1.00 42.31 H new ATOM 0 HZ PHE A 56 -0.393 4.059 -7.645 1.00 31.44 H new ATOM 899 N ARG A 57 -8.126 3.267 -3.803 1.00 1.42 N ATOM 900 CA ARG A 57 -9.490 3.653 -3.363 1.00 64.01 C ATOM 901 C ARG A 57 -9.465 4.514 -2.081 1.00 61.04 C ATOM 902 O ARG A 57 -10.467 5.159 -1.747 1.00 3.04 O ATOM 903 CB ARG A 57 -10.349 2.389 -3.120 1.00 12.10 C ATOM 904 CG ARG A 57 -10.787 1.644 -4.399 1.00 61.34 C ATOM 905 CD ARG A 57 -11.495 0.312 -4.081 1.00 73.23 C ATOM 906 NE ARG A 57 -12.594 0.469 -3.106 1.00 13.13 N ATOM 907 CZ ARG A 57 -13.257 -0.543 -2.516 1.00 1.44 C ATOM 908 NH1 ARG A 57 -12.959 -1.815 -2.784 1.00 21.42 N ATOM 909 NH2 ARG A 57 -14.210 -0.274 -1.629 1.00 52.23 N ATOM 0 H ARG A 57 -7.882 2.302 -3.578 1.00 1.42 H new ATOM 0 HA ARG A 57 -9.929 4.253 -4.160 1.00 64.01 H new ATOM 0 HB2 ARG A 57 -9.785 1.700 -2.491 1.00 12.10 H new ATOM 0 HB3 ARG A 57 -11.240 2.675 -2.561 1.00 12.10 H new ATOM 0 HG2 ARG A 57 -11.456 2.281 -4.978 1.00 61.34 H new ATOM 0 HG3 ARG A 57 -9.914 1.450 -5.022 1.00 61.34 H new ATOM 0 HD2 ARG A 57 -11.891 -0.113 -5.003 1.00 73.23 H new ATOM 0 HD3 ARG A 57 -10.766 -0.398 -3.690 1.00 73.23 H new ATOM 0 HE ARG A 57 -12.872 1.419 -2.861 1.00 13.13 H new ATOM 0 HH11 ARG A 57 -12.216 -2.036 -3.447 1.00 21.42 H new ATOM 0 HH12 ARG A 57 -13.474 -2.567 -2.326 1.00 21.42 H new ATOM 0 HH21 ARG A 57 -14.435 0.694 -1.400 1.00 52.23 H new ATOM 0 HH22 ARG A 57 -14.717 -1.036 -1.178 1.00 52.23 H new ATOM 923 N ILE A 58 -8.325 4.519 -1.375 1.00 60.23 N ATOM 924 CA ILE A 58 -8.171 5.203 -0.077 1.00 54.14 C ATOM 925 C ILE A 58 -7.855 6.696 -0.307 1.00 62.53 C ATOM 926 O ILE A 58 -7.005 7.030 -1.151 1.00 54.43 O ATOM 927 CB ILE A 58 -7.033 4.525 0.782 1.00 12.42 C ATOM 928 CG1 ILE A 58 -7.289 2.985 0.887 1.00 3.21 C ATOM 929 CG2 ILE A 58 -6.911 5.178 2.183 1.00 73.00 C ATOM 930 CD1 ILE A 58 -6.263 2.206 1.685 1.00 42.11 C ATOM 0 H ILE A 58 -7.477 4.046 -1.688 1.00 60.23 H new ATOM 0 HA ILE A 58 -9.107 5.118 0.475 1.00 54.14 H new ATOM 0 HB ILE A 58 -6.080 4.683 0.277 1.00 12.42 H new ATOM 0 HG12 ILE A 58 -8.269 2.827 1.336 1.00 3.21 H new ATOM 0 HG13 ILE A 58 -7.330 2.572 -0.121 1.00 3.21 H new ATOM 0 HG21 ILE A 58 -6.118 4.686 2.746 1.00 73.00 H new ATOM 0 HG22 ILE A 58 -6.674 6.236 2.072 1.00 73.00 H new ATOM 0 HG23 ILE A 58 -7.855 5.072 2.717 1.00 73.00 H new ATOM 0 HD11 ILE A 58 -6.535 1.150 1.695 1.00 42.11 H new ATOM 0 HD12 ILE A 58 -5.281 2.324 1.228 1.00 42.11 H new ATOM 0 HD13 ILE A 58 -6.235 2.583 2.707 1.00 42.11 H new ATOM 942 N GLU A 59 -8.563 7.571 0.442 1.00 40.21 N ATOM 943 CA GLU A 59 -8.429 9.036 0.348 1.00 41.32 C ATOM 944 C GLU A 59 -6.990 9.504 0.670 1.00 24.10 C ATOM 945 O GLU A 59 -6.579 9.549 1.834 1.00 51.11 O ATOM 946 CB GLU A 59 -9.472 9.747 1.281 1.00 61.32 C ATOM 947 CG GLU A 59 -9.440 9.301 2.764 1.00 10.21 C ATOM 948 CD GLU A 59 -10.377 10.111 3.674 1.00 62.12 C ATOM 949 OE1 GLU A 59 -10.051 11.276 3.985 1.00 33.22 O ATOM 950 OE2 GLU A 59 -11.434 9.586 4.093 1.00 44.31 O ATOM 0 H GLU A 59 -9.250 7.273 1.135 1.00 40.21 H new ATOM 0 HA GLU A 59 -8.637 9.320 -0.684 1.00 41.32 H new ATOM 0 HB2 GLU A 59 -9.301 10.823 1.238 1.00 61.32 H new ATOM 0 HB3 GLU A 59 -10.472 9.567 0.885 1.00 61.32 H new ATOM 0 HG2 GLU A 59 -9.712 8.247 2.823 1.00 10.21 H new ATOM 0 HG3 GLU A 59 -8.420 9.388 3.138 1.00 10.21 H new ATOM 957 N GLY A 60 -6.219 9.813 -0.383 1.00 62.23 N ATOM 958 CA GLY A 60 -4.883 10.388 -0.222 1.00 50.21 C ATOM 959 C GLY A 60 -3.776 9.613 -0.911 1.00 52.55 C ATOM 960 O GLY A 60 -2.651 10.091 -0.944 1.00 51.24 O ATOM 0 H GLY A 60 -6.501 9.673 -1.353 1.00 62.23 H new ATOM 0 HA2 GLY A 60 -4.891 11.407 -0.609 1.00 50.21 H new ATOM 0 HA3 GLY A 60 -4.655 10.453 0.842 1.00 50.21 H new ATOM 964 N VAL A 61 -4.074 8.426 -1.464 1.00 54.45 N ATOM 965 CA VAL A 61 -3.045 7.565 -2.083 1.00 74.44 C ATOM 966 C VAL A 61 -2.684 8.048 -3.507 1.00 12.21 C ATOM 967 O VAL A 61 -3.486 7.950 -4.446 1.00 44.14 O ATOM 968 CB VAL A 61 -3.494 6.060 -2.083 1.00 12.41 C ATOM 969 CG1 VAL A 61 -2.518 5.155 -2.880 1.00 60.21 C ATOM 970 CG2 VAL A 61 -3.654 5.557 -0.628 1.00 3.05 C ATOM 0 H VAL A 61 -5.017 8.038 -1.497 1.00 54.45 H new ATOM 0 HA VAL A 61 -2.142 7.641 -1.478 1.00 74.44 H new ATOM 0 HB VAL A 61 -4.458 6.001 -2.589 1.00 12.41 H new ATOM 0 HG11 VAL A 61 -2.871 4.124 -2.851 1.00 60.21 H new ATOM 0 HG12 VAL A 61 -2.471 5.493 -3.915 1.00 60.21 H new ATOM 0 HG13 VAL A 61 -1.525 5.211 -2.435 1.00 60.21 H new ATOM 0 HG21 VAL A 61 -3.966 4.513 -0.636 1.00 3.05 H new ATOM 0 HG22 VAL A 61 -2.702 5.648 -0.105 1.00 3.05 H new ATOM 0 HG23 VAL A 61 -4.407 6.156 -0.117 1.00 3.05 H new ATOM 980 N LYS A 62 -1.464 8.587 -3.627 1.00 4.00 N ATOM 981 CA LYS A 62 -0.875 9.039 -4.901 1.00 41.41 C ATOM 982 C LYS A 62 -0.324 7.847 -5.687 1.00 12.24 C ATOM 983 O LYS A 62 -0.555 7.721 -6.889 1.00 0.23 O ATOM 984 CB LYS A 62 0.272 10.044 -4.624 1.00 32.22 C ATOM 985 CG LYS A 62 0.877 10.723 -5.869 1.00 75.34 C ATOM 986 CD LYS A 62 -0.160 11.552 -6.659 1.00 53.43 C ATOM 987 CE LYS A 62 0.447 12.240 -7.892 1.00 63.31 C ATOM 988 NZ LYS A 62 -0.549 13.088 -8.602 1.00 12.15 N ATOM 0 H LYS A 62 -0.845 8.725 -2.829 1.00 4.00 H new ATOM 0 HA LYS A 62 -1.654 9.525 -5.489 1.00 41.41 H new ATOM 0 HB2 LYS A 62 -0.102 10.819 -3.955 1.00 32.22 H new ATOM 0 HB3 LYS A 62 1.068 9.522 -4.094 1.00 32.22 H new ATOM 0 HG2 LYS A 62 1.697 11.372 -5.561 1.00 75.34 H new ATOM 0 HG3 LYS A 62 1.302 9.961 -6.523 1.00 75.34 H new ATOM 0 HD2 LYS A 62 -0.975 10.901 -6.975 1.00 53.43 H new ATOM 0 HD3 LYS A 62 -0.592 12.307 -6.002 1.00 53.43 H new ATOM 0 HE2 LYS A 62 1.293 12.854 -7.585 1.00 63.31 H new ATOM 0 HE3 LYS A 62 0.833 11.484 -8.576 1.00 63.31 H new ATOM 0 HZ1 LYS A 62 -0.100 13.534 -9.427 1.00 12.15 H new ATOM 0 HZ2 LYS A 62 -1.345 12.498 -8.918 1.00 12.15 H new ATOM 0 HZ3 LYS A 62 -0.899 13.825 -7.958 1.00 12.15 H new ATOM 1002 N SER A 63 0.403 6.979 -4.980 1.00 24.22 N ATOM 1003 CA SER A 63 1.074 5.820 -5.577 1.00 74.23 C ATOM 1004 C SER A 63 1.289 4.736 -4.514 1.00 31.00 C ATOM 1005 O SER A 63 1.326 5.028 -3.310 1.00 1.41 O ATOM 1006 CB SER A 63 2.417 6.244 -6.226 1.00 21.13 C ATOM 1007 OG SER A 63 3.267 6.877 -5.290 1.00 22.43 O ATOM 0 H SER A 63 0.544 7.060 -3.973 1.00 24.22 H new ATOM 0 HA SER A 63 0.441 5.408 -6.363 1.00 74.23 H new ATOM 0 HB2 SER A 63 2.916 5.367 -6.638 1.00 21.13 H new ATOM 0 HB3 SER A 63 2.223 6.920 -7.058 1.00 21.13 H new ATOM 0 HG SER A 63 4.106 7.131 -5.729 1.00 22.43 H new ATOM 1013 N VAL A 64 1.398 3.481 -4.973 1.00 42.41 N ATOM 1014 CA VAL A 64 1.679 2.311 -4.122 1.00 21.11 C ATOM 1015 C VAL A 64 2.915 1.581 -4.667 1.00 33.01 C ATOM 1016 O VAL A 64 3.083 1.468 -5.876 1.00 34.34 O ATOM 1017 CB VAL A 64 0.455 1.311 -4.088 1.00 12.44 C ATOM 1018 CG1 VAL A 64 0.771 0.047 -3.256 1.00 31.10 C ATOM 1019 CG2 VAL A 64 -0.824 2.004 -3.565 1.00 65.41 C ATOM 0 H VAL A 64 1.292 3.245 -5.960 1.00 42.41 H new ATOM 0 HA VAL A 64 1.857 2.662 -3.105 1.00 21.11 H new ATOM 0 HB VAL A 64 0.273 0.995 -5.115 1.00 12.44 H new ATOM 0 HG11 VAL A 64 -0.095 -0.615 -3.257 1.00 31.10 H new ATOM 0 HG12 VAL A 64 1.625 -0.472 -3.692 1.00 31.10 H new ATOM 0 HG13 VAL A 64 1.006 0.335 -2.231 1.00 31.10 H new ATOM 0 HG21 VAL A 64 -1.647 1.289 -3.554 1.00 65.41 H new ATOM 0 HG22 VAL A 64 -0.651 2.373 -2.554 1.00 65.41 H new ATOM 0 HG23 VAL A 64 -1.078 2.839 -4.217 1.00 65.41 H new ATOM 1029 N PHE A 65 3.777 1.100 -3.768 1.00 71.14 N ATOM 1030 CA PHE A 65 4.928 0.251 -4.115 1.00 4.24 C ATOM 1031 C PHE A 65 4.913 -0.987 -3.209 1.00 14.04 C ATOM 1032 O PHE A 65 4.672 -0.869 -2.006 1.00 24.31 O ATOM 1033 CB PHE A 65 6.258 1.037 -3.941 1.00 11.05 C ATOM 1034 CG PHE A 65 7.514 0.215 -4.269 1.00 75.50 C ATOM 1035 CD1 PHE A 65 7.802 -0.150 -5.585 1.00 64.42 C ATOM 1036 CD2 PHE A 65 8.391 -0.210 -3.263 1.00 1.00 C ATOM 1037 CE1 PHE A 65 8.918 -0.906 -5.889 1.00 34.41 C ATOM 1038 CE2 PHE A 65 9.508 -0.970 -3.571 1.00 1.43 C ATOM 1039 CZ PHE A 65 9.770 -1.314 -4.882 1.00 43.25 C ATOM 0 H PHE A 65 3.698 1.288 -2.769 1.00 71.14 H new ATOM 0 HA PHE A 65 4.857 -0.055 -5.159 1.00 4.24 H new ATOM 0 HB2 PHE A 65 6.235 1.918 -4.582 1.00 11.05 H new ATOM 0 HB3 PHE A 65 6.327 1.393 -2.913 1.00 11.05 H new ATOM 0 HD1 PHE A 65 7.141 0.164 -6.379 1.00 64.42 H new ATOM 0 HD2 PHE A 65 8.194 0.058 -2.235 1.00 1.00 H new ATOM 0 HE1 PHE A 65 9.124 -1.178 -6.914 1.00 34.41 H new ATOM 0 HE2 PHE A 65 10.174 -1.293 -2.785 1.00 1.43 H new ATOM 0 HZ PHE A 65 10.643 -1.903 -5.120 1.00 43.25 H new ATOM 1049 N PHE A 66 5.151 -2.171 -3.793 1.00 35.00 N ATOM 1050 CA PHE A 66 5.271 -3.431 -3.039 1.00 33.34 C ATOM 1051 C PHE A 66 6.725 -3.915 -3.058 1.00 63.22 C ATOM 1052 O PHE A 66 7.403 -3.860 -4.095 1.00 31.33 O ATOM 1053 CB PHE A 66 4.344 -4.531 -3.613 1.00 23.21 C ATOM 1054 CG PHE A 66 2.840 -4.289 -3.457 1.00 52.53 C ATOM 1055 CD1 PHE A 66 2.325 -3.528 -2.412 1.00 64.51 C ATOM 1056 CD2 PHE A 66 1.940 -4.834 -4.365 1.00 61.54 C ATOM 1057 CE1 PHE A 66 0.964 -3.327 -2.282 1.00 73.42 C ATOM 1058 CE2 PHE A 66 0.582 -4.628 -4.228 1.00 1.51 C ATOM 1059 CZ PHE A 66 0.095 -3.873 -3.192 1.00 24.12 C ATOM 0 H PHE A 66 5.266 -2.283 -4.800 1.00 35.00 H new ATOM 0 HA PHE A 66 4.963 -3.235 -2.012 1.00 33.34 H new ATOM 0 HB2 PHE A 66 4.565 -4.648 -4.674 1.00 23.21 H new ATOM 0 HB3 PHE A 66 4.592 -5.476 -3.130 1.00 23.21 H new ATOM 0 HD1 PHE A 66 2.999 -3.088 -1.692 1.00 64.51 H new ATOM 0 HD2 PHE A 66 2.308 -5.427 -5.189 1.00 61.54 H new ATOM 0 HE1 PHE A 66 0.583 -2.738 -1.461 1.00 73.42 H new ATOM 0 HE2 PHE A 66 -0.101 -5.064 -4.941 1.00 1.51 H new ATOM 0 HZ PHE A 66 -0.968 -3.709 -3.093 1.00 24.12 H new ATOM 1069 N GLY A 67 7.157 -4.400 -1.894 1.00 44.30 N ATOM 1070 CA GLY A 67 8.511 -4.882 -1.649 1.00 22.51 C ATOM 1071 C GLY A 67 8.510 -6.059 -0.672 1.00 50.34 C ATOM 1072 O GLY A 67 7.433 -6.467 -0.219 1.00 74.32 O ATOM 0 H GLY A 67 6.555 -4.469 -1.073 1.00 44.30 H new ATOM 0 HA2 GLY A 67 8.967 -5.188 -2.591 1.00 22.51 H new ATOM 0 HA3 GLY A 67 9.121 -4.073 -1.247 1.00 22.51 H new ATOM 1076 N PRO A 68 9.695 -6.652 -0.335 1.00 23.33 N ATOM 1077 CA PRO A 68 9.780 -7.823 0.576 1.00 64.13 C ATOM 1078 C PRO A 68 9.265 -7.489 1.993 1.00 70.14 C ATOM 1079 O PRO A 68 9.967 -6.824 2.770 1.00 25.52 O ATOM 1080 CB PRO A 68 11.290 -8.194 0.570 1.00 25.34 C ATOM 1081 CG PRO A 68 11.885 -7.445 -0.591 1.00 41.14 C ATOM 1082 CD PRO A 68 11.038 -6.207 -0.775 1.00 13.23 C ATOM 0 HA PRO A 68 9.152 -8.652 0.250 1.00 64.13 H new ATOM 0 HB2 PRO A 68 11.768 -7.908 1.507 1.00 25.34 H new ATOM 0 HB3 PRO A 68 11.429 -9.269 0.456 1.00 25.34 H new ATOM 0 HG2 PRO A 68 12.923 -7.180 -0.392 1.00 41.14 H new ATOM 0 HG3 PRO A 68 11.880 -8.057 -1.493 1.00 41.14 H new ATOM 0 HD2 PRO A 68 11.404 -5.375 -0.174 1.00 13.23 H new ATOM 0 HD3 PRO A 68 11.032 -5.873 -1.812 1.00 13.23 H new ATOM 1090 N ASP A 69 8.012 -7.913 2.271 1.00 53.10 N ATOM 1091 CA ASP A 69 7.316 -7.678 3.554 1.00 24.24 C ATOM 1092 C ASP A 69 7.246 -6.168 3.852 1.00 2.05 C ATOM 1093 O ASP A 69 7.561 -5.704 4.951 1.00 1.52 O ATOM 1094 CB ASP A 69 7.987 -8.508 4.705 1.00 11.14 C ATOM 1095 CG ASP A 69 7.254 -8.470 6.062 1.00 24.34 C ATOM 1096 OD1 ASP A 69 6.044 -8.178 6.100 1.00 45.31 O ATOM 1097 OD2 ASP A 69 7.899 -8.751 7.098 1.00 42.42 O ATOM 0 H ASP A 69 7.449 -8.435 1.600 1.00 53.10 H new ATOM 0 HA ASP A 69 6.287 -8.031 3.483 1.00 24.24 H new ATOM 0 HB2 ASP A 69 8.066 -9.546 4.383 1.00 11.14 H new ATOM 0 HB3 ASP A 69 9.003 -8.141 4.850 1.00 11.14 H new ATOM 1102 N SER A 70 6.836 -5.406 2.827 1.00 51.22 N ATOM 1103 CA SER A 70 6.755 -3.946 2.908 1.00 22.44 C ATOM 1104 C SER A 70 5.869 -3.391 1.787 1.00 44.44 C ATOM 1105 O SER A 70 5.914 -3.864 0.650 1.00 5.13 O ATOM 1106 CB SER A 70 8.175 -3.340 2.831 1.00 71.43 C ATOM 1107 OG SER A 70 8.868 -3.770 1.668 1.00 63.15 O ATOM 0 H SER A 70 6.553 -5.786 1.924 1.00 51.22 H new ATOM 0 HA SER A 70 6.304 -3.669 3.861 1.00 22.44 H new ATOM 0 HB2 SER A 70 8.107 -2.252 2.832 1.00 71.43 H new ATOM 0 HB3 SER A 70 8.741 -3.625 3.718 1.00 71.43 H new ATOM 0 HG SER A 70 9.761 -3.366 1.651 1.00 63.15 H new ATOM 1113 N ILE A 71 5.026 -2.415 2.146 1.00 32.31 N ATOM 1114 CA ILE A 71 4.171 -1.677 1.210 1.00 74.13 C ATOM 1115 C ILE A 71 4.434 -0.179 1.425 1.00 5.15 C ATOM 1116 O ILE A 71 4.005 0.386 2.427 1.00 74.32 O ATOM 1117 CB ILE A 71 2.646 -2.018 1.458 1.00 54.50 C ATOM 1118 CG1 ILE A 71 2.397 -3.554 1.269 1.00 71.45 C ATOM 1119 CG2 ILE A 71 1.722 -1.168 0.546 1.00 64.04 C ATOM 1120 CD1 ILE A 71 0.979 -4.017 1.534 1.00 25.24 C ATOM 0 H ILE A 71 4.918 -2.111 3.114 1.00 32.31 H new ATOM 0 HA ILE A 71 4.402 -1.959 0.183 1.00 74.13 H new ATOM 0 HB ILE A 71 2.397 -1.760 2.487 1.00 54.50 H new ATOM 0 HG12 ILE A 71 2.666 -3.826 0.248 1.00 71.45 H new ATOM 0 HG13 ILE A 71 3.069 -4.099 1.932 1.00 71.45 H new ATOM 0 HG21 ILE A 71 0.681 -1.426 0.741 1.00 64.04 H new ATOM 0 HG22 ILE A 71 1.879 -0.110 0.755 1.00 64.04 H new ATOM 0 HG23 ILE A 71 1.956 -1.370 -0.499 1.00 64.04 H new ATOM 0 HD11 ILE A 71 0.912 -5.093 1.376 1.00 25.24 H new ATOM 0 HD12 ILE A 71 0.707 -3.784 2.563 1.00 25.24 H new ATOM 0 HD13 ILE A 71 0.297 -3.507 0.854 1.00 25.24 H new ATOM 1132 N THR A 72 5.158 0.459 0.503 1.00 10.41 N ATOM 1133 CA THR A 72 5.543 1.863 0.631 1.00 20.35 C ATOM 1134 C THR A 72 4.541 2.706 -0.181 1.00 34.30 C ATOM 1135 O THR A 72 4.506 2.607 -1.408 1.00 62.31 O ATOM 1136 CB THR A 72 7.005 2.055 0.102 1.00 71.15 C ATOM 1137 OG1 THR A 72 7.881 1.115 0.753 1.00 21.13 O ATOM 1138 CG2 THR A 72 7.534 3.479 0.341 1.00 14.42 C ATOM 0 H THR A 72 5.493 0.016 -0.352 1.00 10.41 H new ATOM 0 HA THR A 72 5.522 2.181 1.673 1.00 20.35 H new ATOM 0 HB THR A 72 6.983 1.883 -0.974 1.00 71.15 H new ATOM 0 HG1 THR A 72 8.795 1.235 0.420 1.00 21.13 H new ATOM 0 HG21 THR A 72 8.551 3.559 -0.044 1.00 14.42 H new ATOM 0 HG22 THR A 72 6.894 4.196 -0.173 1.00 14.42 H new ATOM 0 HG23 THR A 72 7.533 3.693 1.410 1.00 14.42 H new ATOM 1146 N VAL A 73 3.710 3.499 0.511 1.00 2.50 N ATOM 1147 CA VAL A 73 2.624 4.291 -0.104 1.00 1.31 C ATOM 1148 C VAL A 73 3.013 5.777 -0.040 1.00 61.35 C ATOM 1149 O VAL A 73 3.622 6.207 0.937 1.00 71.03 O ATOM 1150 CB VAL A 73 1.248 4.060 0.647 1.00 73.34 C ATOM 1151 CG1 VAL A 73 0.098 4.891 0.028 1.00 1.41 C ATOM 1152 CG2 VAL A 73 0.874 2.558 0.689 1.00 20.43 C ATOM 0 H VAL A 73 3.770 3.613 1.523 1.00 2.50 H new ATOM 0 HA VAL A 73 2.491 3.975 -1.139 1.00 1.31 H new ATOM 0 HB VAL A 73 1.388 4.407 1.671 1.00 73.34 H new ATOM 0 HG11 VAL A 73 -0.825 4.700 0.576 1.00 1.41 H new ATOM 0 HG12 VAL A 73 0.342 5.952 0.088 1.00 1.41 H new ATOM 0 HG13 VAL A 73 -0.035 4.608 -1.016 1.00 1.41 H new ATOM 0 HG21 VAL A 73 -0.075 2.434 1.211 1.00 20.43 H new ATOM 0 HG22 VAL A 73 0.781 2.178 -0.328 1.00 20.43 H new ATOM 0 HG23 VAL A 73 1.652 2.004 1.214 1.00 20.43 H new ATOM 1162 N THR A 74 2.675 6.542 -1.085 1.00 52.04 N ATOM 1163 CA THR A 74 2.911 7.993 -1.148 1.00 23.34 C ATOM 1164 C THR A 74 1.555 8.728 -1.135 1.00 34.05 C ATOM 1165 O THR A 74 0.565 8.203 -1.659 1.00 54.34 O ATOM 1166 CB THR A 74 3.725 8.360 -2.429 1.00 43.51 C ATOM 1167 OG1 THR A 74 4.929 7.574 -2.478 1.00 53.12 O ATOM 1168 CG2 THR A 74 4.102 9.849 -2.482 1.00 32.21 C ATOM 0 H THR A 74 2.225 6.169 -1.921 1.00 52.04 H new ATOM 0 HA THR A 74 3.495 8.302 -0.281 1.00 23.34 H new ATOM 0 HB THR A 74 3.086 8.146 -3.286 1.00 43.51 H new ATOM 0 HG1 THR A 74 5.438 7.804 -3.283 1.00 53.12 H new ATOM 0 HG21 THR A 74 4.667 10.049 -3.393 1.00 32.21 H new ATOM 0 HG22 THR A 74 3.196 10.454 -2.477 1.00 32.21 H new ATOM 0 HG23 THR A 74 4.712 10.101 -1.614 1.00 32.21 H new ATOM 1176 N LYS A 75 1.524 9.925 -0.513 1.00 3.53 N ATOM 1177 CA LYS A 75 0.319 10.770 -0.417 1.00 23.12 C ATOM 1178 C LYS A 75 0.300 11.781 -1.585 1.00 12.02 C ATOM 1179 O LYS A 75 1.363 12.143 -2.116 1.00 52.53 O ATOM 1180 CB LYS A 75 0.282 11.513 0.955 1.00 12.13 C ATOM 1181 CG LYS A 75 1.379 12.587 1.122 1.00 62.31 C ATOM 1182 CD LYS A 75 1.415 13.244 2.522 1.00 2.35 C ATOM 1183 CE LYS A 75 1.819 12.284 3.647 1.00 72.51 C ATOM 1184 NZ LYS A 75 2.069 13.003 4.932 1.00 21.11 N ATOM 0 H LYS A 75 2.342 10.334 -0.060 1.00 3.53 H new ATOM 0 HA LYS A 75 -0.567 10.138 -0.483 1.00 23.12 H new ATOM 0 HB2 LYS A 75 -0.694 11.984 1.074 1.00 12.13 H new ATOM 0 HB3 LYS A 75 0.382 10.780 1.755 1.00 12.13 H new ATOM 0 HG2 LYS A 75 2.349 12.133 0.921 1.00 62.31 H new ATOM 0 HG3 LYS A 75 1.229 13.364 0.372 1.00 62.31 H new ATOM 0 HD2 LYS A 75 2.114 14.080 2.503 1.00 2.35 H new ATOM 0 HD3 LYS A 75 0.431 13.656 2.745 1.00 2.35 H new ATOM 0 HE2 LYS A 75 1.032 11.544 3.793 1.00 72.51 H new ATOM 0 HE3 LYS A 75 2.717 11.740 3.355 1.00 72.51 H new ATOM 0 HZ1 LYS A 75 2.273 12.312 5.682 1.00 21.11 H new ATOM 0 HZ2 LYS A 75 2.881 13.642 4.820 1.00 21.11 H new ATOM 0 HZ3 LYS A 75 1.227 13.556 5.190 1.00 21.11 H new ATOM 1198 N GLU A 76 -0.913 12.231 -1.965 1.00 63.22 N ATOM 1199 CA GLU A 76 -1.124 13.141 -3.123 1.00 40.25 C ATOM 1200 C GLU A 76 -0.443 14.503 -2.914 1.00 24.34 C ATOM 1201 O GLU A 76 0.174 15.060 -3.832 1.00 71.12 O ATOM 1202 CB GLU A 76 -2.641 13.328 -3.390 1.00 1.54 C ATOM 1203 CG GLU A 76 -3.404 12.020 -3.683 1.00 63.24 C ATOM 1204 CD GLU A 76 -4.902 12.244 -3.927 1.00 54.35 C ATOM 1205 OE1 GLU A 76 -5.305 12.466 -5.093 1.00 2.12 O ATOM 1206 OE2 GLU A 76 -5.680 12.230 -2.949 1.00 3.33 O ATOM 0 H GLU A 76 -1.776 11.978 -1.483 1.00 63.22 H new ATOM 0 HA GLU A 76 -0.663 12.677 -3.995 1.00 40.25 H new ATOM 0 HB2 GLU A 76 -3.093 13.811 -2.524 1.00 1.54 H new ATOM 0 HB3 GLU A 76 -2.768 14.005 -4.235 1.00 1.54 H new ATOM 0 HG2 GLU A 76 -2.967 11.538 -4.558 1.00 63.24 H new ATOM 0 HG3 GLU A 76 -3.276 11.335 -2.845 1.00 63.24 H new ATOM 1213 N ASN A 77 -0.556 15.008 -1.684 1.00 20.52 N ATOM 1214 CA ASN A 77 -0.030 16.324 -1.274 1.00 62.34 C ATOM 1215 C ASN A 77 0.286 16.306 0.226 1.00 53.34 C ATOM 1216 O ASN A 77 -0.255 15.481 0.969 1.00 62.44 O ATOM 1217 CB ASN A 77 -1.054 17.444 -1.605 1.00 62.11 C ATOM 1218 CG ASN A 77 -2.437 17.167 -1.019 1.00 15.00 C ATOM 1219 OD1 ASN A 77 -2.733 17.542 0.111 1.00 21.41 O ATOM 1220 ND2 ASN A 77 -3.284 16.478 -1.768 1.00 4.22 N ATOM 0 H ASN A 77 -1.023 14.509 -0.927 1.00 20.52 H new ATOM 0 HA ASN A 77 0.887 16.531 -1.826 1.00 62.34 H new ATOM 0 HB2 ASN A 77 -0.684 18.395 -1.220 1.00 62.11 H new ATOM 0 HB3 ASN A 77 -1.136 17.548 -2.687 1.00 62.11 H new ATOM 0 HD21 ASN A 77 -4.210 16.246 -1.409 1.00 4.22 H new ATOM 0 HD22 ASN A 77 -3.010 16.179 -2.704 1.00 4.22 H new ATOM 1227 N GLU A 78 1.118 17.266 0.655 1.00 0.11 N ATOM 1228 CA GLU A 78 1.658 17.335 2.029 1.00 24.13 C ATOM 1229 C GLU A 78 0.595 17.741 3.065 1.00 71.53 C ATOM 1230 O GLU A 78 0.812 17.580 4.270 1.00 52.43 O ATOM 1231 CB GLU A 78 2.851 18.317 2.068 1.00 72.54 C ATOM 1232 CG GLU A 78 3.980 17.967 1.078 1.00 72.13 C ATOM 1233 CD GLU A 78 5.147 18.957 1.130 1.00 34.24 C ATOM 1234 OE1 GLU A 78 5.048 20.035 0.499 1.00 54.44 O ATOM 1235 OE2 GLU A 78 6.155 18.680 1.820 1.00 71.24 O ATOM 0 H GLU A 78 1.441 18.026 0.056 1.00 0.11 H new ATOM 0 HA GLU A 78 1.992 16.334 2.301 1.00 24.13 H new ATOM 0 HB2 GLU A 78 2.489 19.322 1.851 1.00 72.54 H new ATOM 0 HB3 GLU A 78 3.260 18.337 3.078 1.00 72.54 H new ATOM 0 HG2 GLU A 78 4.350 16.965 1.296 1.00 72.13 H new ATOM 0 HG3 GLU A 78 3.575 17.944 0.066 1.00 72.13 H new ATOM 1242 N GLU A 79 -0.562 18.242 2.582 1.00 64.34 N ATOM 1243 CA GLU A 79 -1.681 18.674 3.449 1.00 4.24 C ATOM 1244 C GLU A 79 -2.376 17.454 4.081 1.00 14.42 C ATOM 1245 O GLU A 79 -3.115 17.586 5.061 1.00 13.41 O ATOM 1246 CB GLU A 79 -2.708 19.526 2.645 1.00 15.13 C ATOM 1247 CG GLU A 79 -2.097 20.576 1.685 1.00 62.22 C ATOM 1248 CD GLU A 79 -1.124 21.558 2.362 1.00 33.41 C ATOM 1249 OE1 GLU A 79 -1.580 22.587 2.911 1.00 61.34 O ATOM 1250 OE2 GLU A 79 0.103 21.309 2.348 1.00 41.44 O ATOM 0 H GLU A 79 -0.747 18.358 1.586 1.00 64.34 H new ATOM 0 HA GLU A 79 -1.272 19.294 4.247 1.00 4.24 H new ATOM 0 HB2 GLU A 79 -3.338 18.852 2.065 1.00 15.13 H new ATOM 0 HB3 GLU A 79 -3.359 20.041 3.352 1.00 15.13 H new ATOM 0 HG2 GLU A 79 -1.572 20.057 0.883 1.00 62.22 H new ATOM 0 HG3 GLU A 79 -2.905 21.143 1.223 1.00 62.22 H new ATOM 1257 N LEU A 80 -2.128 16.272 3.493 1.00 51.11 N ATOM 1258 CA LEU A 80 -2.689 14.997 3.942 1.00 51.53 C ATOM 1259 C LEU A 80 -1.825 14.400 5.043 1.00 60.21 C ATOM 1260 O LEU A 80 -0.620 14.202 4.862 1.00 72.12 O ATOM 1261 CB LEU A 80 -2.745 14.019 2.748 1.00 24.43 C ATOM 1262 CG LEU A 80 -3.627 14.484 1.560 1.00 50.54 C ATOM 1263 CD1 LEU A 80 -3.373 13.615 0.325 1.00 23.12 C ATOM 1264 CD2 LEU A 80 -5.116 14.488 1.946 1.00 14.23 C ATOM 0 H LEU A 80 -1.521 16.179 2.679 1.00 51.11 H new ATOM 0 HA LEU A 80 -3.692 15.166 4.333 1.00 51.53 H new ATOM 0 HB2 LEU A 80 -1.731 13.854 2.385 1.00 24.43 H new ATOM 0 HB3 LEU A 80 -3.117 13.058 3.102 1.00 24.43 H new ATOM 0 HG LEU A 80 -3.350 15.508 1.311 1.00 50.54 H new ATOM 0 HD11 LEU A 80 -4.002 13.958 -0.497 1.00 23.12 H new ATOM 0 HD12 LEU A 80 -2.325 13.691 0.036 1.00 23.12 H new ATOM 0 HD13 LEU A 80 -3.612 12.577 0.555 1.00 23.12 H new ATOM 0 HD21 LEU A 80 -5.712 14.818 1.095 1.00 14.23 H new ATOM 0 HD22 LEU A 80 -5.420 13.481 2.233 1.00 14.23 H new ATOM 0 HD23 LEU A 80 -5.273 15.167 2.784 1.00 14.23 H new ATOM 1276 N ASP A 81 -2.441 14.140 6.182 1.00 63.51 N ATOM 1277 CA ASP A 81 -1.803 13.398 7.284 1.00 12.25 C ATOM 1278 C ASP A 81 -2.114 11.907 7.099 1.00 54.11 C ATOM 1279 O ASP A 81 -3.209 11.561 6.639 1.00 12.23 O ATOM 1280 CB ASP A 81 -2.318 13.897 8.661 1.00 71.11 C ATOM 1281 CG ASP A 81 -1.459 13.409 9.843 1.00 50.14 C ATOM 1282 OD1 ASP A 81 -1.675 12.289 10.329 1.00 45.34 O ATOM 1283 OD2 ASP A 81 -0.543 14.141 10.277 1.00 14.55 O ATOM 0 H ASP A 81 -3.398 14.432 6.381 1.00 63.51 H new ATOM 0 HA ASP A 81 -0.726 13.562 7.263 1.00 12.25 H new ATOM 0 HB2 ASP A 81 -2.339 14.987 8.661 1.00 71.11 H new ATOM 0 HB3 ASP A 81 -3.345 13.559 8.802 1.00 71.11 H new ATOM 1288 N TRP A 82 -1.172 11.029 7.477 1.00 61.55 N ATOM 1289 CA TRP A 82 -1.316 9.572 7.282 1.00 20.23 C ATOM 1290 C TRP A 82 -2.441 8.970 8.138 1.00 4.03 C ATOM 1291 O TRP A 82 -2.993 7.950 7.758 1.00 21.30 O ATOM 1292 CB TRP A 82 0.021 8.822 7.523 1.00 51.05 C ATOM 1293 CG TRP A 82 1.012 8.966 6.395 1.00 71.32 C ATOM 1294 CD1 TRP A 82 2.204 9.626 6.413 1.00 21.24 C ATOM 1295 CD2 TRP A 82 0.875 8.425 5.072 1.00 71.33 C ATOM 1296 NE1 TRP A 82 2.815 9.529 5.189 1.00 1.52 N ATOM 1297 CE2 TRP A 82 2.017 8.798 4.349 1.00 40.30 C ATOM 1298 CE3 TRP A 82 -0.107 7.663 4.434 1.00 51.12 C ATOM 1299 CZ2 TRP A 82 2.206 8.431 3.023 1.00 32.20 C ATOM 1300 CZ3 TRP A 82 0.083 7.302 3.119 1.00 54.44 C ATOM 1301 CH2 TRP A 82 1.228 7.690 2.425 1.00 12.41 C ATOM 0 H TRP A 82 -0.296 11.302 7.922 1.00 61.55 H new ATOM 0 HA TRP A 82 -1.597 9.434 6.238 1.00 20.23 H new ATOM 0 HB2 TRP A 82 0.474 9.193 8.442 1.00 51.05 H new ATOM 0 HB3 TRP A 82 -0.189 7.764 7.676 1.00 51.05 H new ATOM 0 HD1 TRP A 82 2.609 10.149 7.267 1.00 21.24 H new ATOM 0 HE1 TRP A 82 3.718 9.935 4.944 1.00 1.52 H new ATOM 0 HE3 TRP A 82 -0.999 7.362 4.963 1.00 51.12 H new ATOM 0 HZ2 TRP A 82 3.096 8.722 2.484 1.00 32.20 H new ATOM 0 HZ3 TRP A 82 -0.667 6.709 2.617 1.00 54.44 H new ATOM 0 HH2 TRP A 82 1.344 7.398 1.392 1.00 12.41 H new ATOM 1312 N ASN A 83 -2.804 9.635 9.258 1.00 32.55 N ATOM 1313 CA ASN A 83 -3.884 9.170 10.175 1.00 3.21 C ATOM 1314 C ASN A 83 -5.261 9.150 9.483 1.00 33.32 C ATOM 1315 O ASN A 83 -6.178 8.461 9.942 1.00 64.44 O ATOM 1316 CB ASN A 83 -3.951 10.028 11.468 1.00 34.45 C ATOM 1317 CG ASN A 83 -2.693 9.932 12.335 1.00 2.02 C ATOM 1318 OD1 ASN A 83 -1.996 8.914 12.343 1.00 54.25 O ATOM 1319 ND2 ASN A 83 -2.402 10.989 13.078 1.00 53.51 N ATOM 0 H ASN A 83 -2.363 10.505 9.556 1.00 32.55 H new ATOM 0 HA ASN A 83 -3.629 8.147 10.453 1.00 3.21 H new ATOM 0 HB2 ASN A 83 -4.114 11.070 11.194 1.00 34.45 H new ATOM 0 HB3 ASN A 83 -4.813 9.715 12.057 1.00 34.45 H new ATOM 0 HD21 ASN A 83 -1.580 10.978 13.681 1.00 53.51 H new ATOM 0 HD22 ASN A 83 -3.000 11.815 13.047 1.00 53.51 H new ATOM 1326 N LEU A 84 -5.397 9.924 8.390 1.00 4.14 N ATOM 1327 CA LEU A 84 -6.610 9.927 7.555 1.00 61.02 C ATOM 1328 C LEU A 84 -6.735 8.561 6.841 1.00 63.23 C ATOM 1329 O LEU A 84 -7.810 7.962 6.795 1.00 60.31 O ATOM 1330 CB LEU A 84 -6.536 11.072 6.499 1.00 25.33 C ATOM 1331 CG LEU A 84 -6.355 12.523 7.056 1.00 12.25 C ATOM 1332 CD1 LEU A 84 -6.181 13.542 5.905 1.00 53.23 C ATOM 1333 CD2 LEU A 84 -7.522 12.916 7.988 1.00 43.14 C ATOM 0 H LEU A 84 -4.671 10.562 8.063 1.00 4.14 H new ATOM 0 HA LEU A 84 -7.483 10.094 8.186 1.00 61.02 H new ATOM 0 HB2 LEU A 84 -5.708 10.860 5.823 1.00 25.33 H new ATOM 0 HB3 LEU A 84 -7.448 11.046 5.903 1.00 25.33 H new ATOM 0 HG LEU A 84 -5.443 12.540 7.653 1.00 12.25 H new ATOM 0 HD11 LEU A 84 -6.057 14.542 6.320 1.00 53.23 H new ATOM 0 HD12 LEU A 84 -5.300 13.281 5.318 1.00 53.23 H new ATOM 0 HD13 LEU A 84 -7.063 13.522 5.265 1.00 53.23 H new ATOM 0 HD21 LEU A 84 -7.366 13.929 8.358 1.00 43.14 H new ATOM 0 HD22 LEU A 84 -8.460 12.872 7.435 1.00 43.14 H new ATOM 0 HD23 LEU A 84 -7.564 12.225 8.830 1.00 43.14 H new ATOM 1345 N LEU A 85 -5.588 8.071 6.345 1.00 41.23 N ATOM 1346 CA LEU A 85 -5.499 6.858 5.516 1.00 72.21 C ATOM 1347 C LEU A 85 -5.387 5.570 6.363 1.00 44.25 C ATOM 1348 O LEU A 85 -6.065 4.586 6.054 1.00 50.32 O ATOM 1349 CB LEU A 85 -4.275 6.949 4.559 1.00 31.12 C ATOM 1350 CG LEU A 85 -4.246 8.137 3.530 1.00 13.02 C ATOM 1351 CD1 LEU A 85 -3.763 9.461 4.156 1.00 15.33 C ATOM 1352 CD2 LEU A 85 -3.417 7.770 2.284 1.00 1.23 C ATOM 0 H LEU A 85 -4.683 8.512 6.511 1.00 41.23 H new ATOM 0 HA LEU A 85 -6.423 6.801 4.941 1.00 72.21 H new ATOM 0 HB2 LEU A 85 -3.374 7.011 5.170 1.00 31.12 H new ATOM 0 HB3 LEU A 85 -4.216 6.016 3.998 1.00 31.12 H new ATOM 0 HG LEU A 85 -5.277 8.305 3.218 1.00 13.02 H new ATOM 0 HD11 LEU A 85 -3.764 10.244 3.398 1.00 15.33 H new ATOM 0 HD12 LEU A 85 -4.431 9.743 4.970 1.00 15.33 H new ATOM 0 HD13 LEU A 85 -2.752 9.333 4.543 1.00 15.33 H new ATOM 0 HD21 LEU A 85 -3.414 8.610 1.589 1.00 1.23 H new ATOM 0 HD22 LEU A 85 -2.394 7.542 2.582 1.00 1.23 H new ATOM 0 HD23 LEU A 85 -3.856 6.899 1.798 1.00 1.23 H new ATOM 1364 N LYS A 86 -4.547 5.620 7.439 1.00 62.21 N ATOM 1365 CA LYS A 86 -4.112 4.432 8.237 1.00 5.32 C ATOM 1366 C LYS A 86 -5.254 3.436 8.601 1.00 43.20 C ATOM 1367 O LYS A 86 -5.085 2.255 8.311 1.00 4.10 O ATOM 1368 CB LYS A 86 -3.357 4.845 9.538 1.00 13.11 C ATOM 1369 CG LYS A 86 -1.948 5.434 9.340 1.00 64.43 C ATOM 1370 CD LYS A 86 -1.369 5.965 10.674 1.00 32.34 C ATOM 1371 CE LYS A 86 -0.030 6.697 10.508 1.00 52.40 C ATOM 1372 NZ LYS A 86 0.427 7.315 11.791 1.00 11.12 N ATOM 0 H LYS A 86 -4.149 6.495 7.780 1.00 62.21 H new ATOM 0 HA LYS A 86 -3.434 3.904 7.566 1.00 5.32 H new ATOM 0 HB2 LYS A 86 -3.964 5.577 10.070 1.00 13.11 H new ATOM 0 HB3 LYS A 86 -3.276 3.969 10.182 1.00 13.11 H new ATOM 0 HG2 LYS A 86 -1.286 4.670 8.932 1.00 64.43 H new ATOM 0 HG3 LYS A 86 -1.989 6.243 8.611 1.00 64.43 H new ATOM 0 HD2 LYS A 86 -2.091 6.642 11.131 1.00 32.34 H new ATOM 0 HD3 LYS A 86 -1.235 5.130 11.362 1.00 32.34 H new ATOM 0 HE2 LYS A 86 0.726 5.997 10.152 1.00 52.40 H new ATOM 0 HE3 LYS A 86 -0.131 7.471 9.747 1.00 52.40 H new ATOM 0 HZ1 LYS A 86 1.289 7.871 11.621 1.00 11.12 H new ATOM 0 HZ2 LYS A 86 -0.319 7.938 12.161 1.00 11.12 H new ATOM 0 HZ3 LYS A 86 0.629 6.567 12.484 1.00 11.12 H new ATOM 1386 N PRO A 87 -6.435 3.871 9.210 1.00 2.02 N ATOM 1387 CA PRO A 87 -7.551 2.934 9.534 1.00 42.24 C ATOM 1388 C PRO A 87 -8.053 2.149 8.305 1.00 62.03 C ATOM 1389 O PRO A 87 -8.309 0.941 8.390 1.00 73.22 O ATOM 1390 CB PRO A 87 -8.667 3.862 10.095 1.00 35.04 C ATOM 1391 CG PRO A 87 -7.926 5.057 10.604 1.00 2.42 C ATOM 1392 CD PRO A 87 -6.790 5.264 9.626 1.00 31.20 C ATOM 0 HA PRO A 87 -7.233 2.164 10.237 1.00 42.24 H new ATOM 0 HB2 PRO A 87 -9.383 4.137 9.321 1.00 35.04 H new ATOM 0 HB3 PRO A 87 -9.229 3.373 10.890 1.00 35.04 H new ATOM 0 HG2 PRO A 87 -8.573 5.933 10.647 1.00 2.42 H new ATOM 0 HG3 PRO A 87 -7.551 4.888 11.613 1.00 2.42 H new ATOM 0 HD2 PRO A 87 -7.098 5.872 8.775 1.00 31.20 H new ATOM 0 HD3 PRO A 87 -5.946 5.772 10.092 1.00 31.20 H new ATOM 1400 N ASP A 88 -8.133 2.840 7.148 1.00 14.23 N ATOM 1401 CA ASP A 88 -8.596 2.230 5.892 1.00 53.05 C ATOM 1402 C ASP A 88 -7.501 1.289 5.335 1.00 1.41 C ATOM 1403 O ASP A 88 -7.814 0.222 4.815 1.00 72.10 O ATOM 1404 CB ASP A 88 -8.974 3.325 4.849 1.00 2.21 C ATOM 1405 CG ASP A 88 -9.957 2.819 3.768 1.00 10.14 C ATOM 1406 OD1 ASP A 88 -9.598 1.921 2.985 1.00 64.21 O ATOM 1407 OD2 ASP A 88 -11.103 3.322 3.702 1.00 1.42 O ATOM 0 H ASP A 88 -7.881 3.825 7.062 1.00 14.23 H new ATOM 0 HA ASP A 88 -9.493 1.644 6.094 1.00 53.05 H new ATOM 0 HB2 ASP A 88 -9.419 4.174 5.368 1.00 2.21 H new ATOM 0 HB3 ASP A 88 -8.066 3.687 4.366 1.00 2.21 H new ATOM 1412 N ILE A 89 -6.216 1.687 5.495 1.00 24.43 N ATOM 1413 CA ILE A 89 -5.052 0.897 5.026 1.00 42.22 C ATOM 1414 C ILE A 89 -4.970 -0.450 5.771 1.00 22.40 C ATOM 1415 O ILE A 89 -4.855 -1.504 5.134 1.00 60.31 O ATOM 1416 CB ILE A 89 -3.696 1.707 5.179 1.00 54.23 C ATOM 1417 CG1 ILE A 89 -3.709 2.963 4.245 1.00 15.31 C ATOM 1418 CG2 ILE A 89 -2.452 0.818 4.903 1.00 74.24 C ATOM 1419 CD1 ILE A 89 -2.453 3.816 4.284 1.00 64.41 C ATOM 0 H ILE A 89 -5.958 2.562 5.951 1.00 24.43 H new ATOM 0 HA ILE A 89 -5.197 0.696 3.965 1.00 42.22 H new ATOM 0 HB ILE A 89 -3.622 2.040 6.214 1.00 54.23 H new ATOM 0 HG12 ILE A 89 -3.871 2.631 3.220 1.00 15.31 H new ATOM 0 HG13 ILE A 89 -4.561 3.587 4.516 1.00 15.31 H new ATOM 0 HG21 ILE A 89 -1.546 1.413 5.019 1.00 74.24 H new ATOM 0 HG22 ILE A 89 -2.434 -0.012 5.610 1.00 74.24 H new ATOM 0 HG23 ILE A 89 -2.502 0.428 3.886 1.00 74.24 H new ATOM 0 HD11 ILE A 89 -2.564 4.659 3.602 1.00 64.41 H new ATOM 0 HD12 ILE A 89 -2.296 4.187 5.297 1.00 64.41 H new ATOM 0 HD13 ILE A 89 -1.596 3.215 3.981 1.00 64.41 H new ATOM 1431 N TYR A 90 -5.062 -0.402 7.116 1.00 74.51 N ATOM 1432 CA TYR A 90 -5.044 -1.612 7.960 1.00 52.10 C ATOM 1433 C TYR A 90 -6.222 -2.531 7.599 1.00 40.21 C ATOM 1434 O TYR A 90 -6.026 -3.713 7.317 1.00 64.34 O ATOM 1435 CB TYR A 90 -5.093 -1.254 9.471 1.00 22.54 C ATOM 1436 CG TYR A 90 -3.918 -0.395 9.987 1.00 2.23 C ATOM 1437 CD1 TYR A 90 -2.589 -0.692 9.655 1.00 33.45 C ATOM 1438 CD2 TYR A 90 -4.142 0.707 10.817 1.00 32.13 C ATOM 1439 CE1 TYR A 90 -1.539 0.075 10.139 1.00 63.43 C ATOM 1440 CE2 TYR A 90 -3.096 1.470 11.303 1.00 43.33 C ATOM 1441 CZ TYR A 90 -1.797 1.153 10.957 1.00 45.33 C ATOM 1442 OH TYR A 90 -0.749 1.913 11.443 1.00 14.12 O ATOM 0 H TYR A 90 -5.150 0.467 7.642 1.00 74.51 H new ATOM 0 HA TYR A 90 -4.107 -2.135 7.768 1.00 52.10 H new ATOM 0 HB2 TYR A 90 -6.024 -0.724 9.671 1.00 22.54 H new ATOM 0 HB3 TYR A 90 -5.124 -2.180 10.045 1.00 22.54 H new ATOM 0 HD1 TYR A 90 -2.379 -1.533 9.011 1.00 33.45 H new ATOM 0 HD2 TYR A 90 -5.155 0.969 11.085 1.00 32.13 H new ATOM 0 HE1 TYR A 90 -0.521 -0.173 9.875 1.00 63.43 H new ATOM 0 HE2 TYR A 90 -3.294 2.311 11.951 1.00 43.33 H new ATOM 0 HH TYR A 90 -1.101 2.636 12.003 1.00 14.12 H new ATOM 1452 N ALA A 91 -7.430 -1.938 7.556 1.00 71.32 N ATOM 1453 CA ALA A 91 -8.688 -2.656 7.262 1.00 42.44 C ATOM 1454 C ALA A 91 -8.631 -3.393 5.906 1.00 60.11 C ATOM 1455 O ALA A 91 -8.931 -4.584 5.835 1.00 11.41 O ATOM 1456 CB ALA A 91 -9.861 -1.669 7.270 1.00 51.24 C ATOM 0 H ALA A 91 -7.563 -0.941 7.725 1.00 71.32 H new ATOM 0 HA ALA A 91 -8.830 -3.408 8.038 1.00 42.44 H new ATOM 0 HB1 ALA A 91 -10.787 -2.202 7.053 1.00 51.24 H new ATOM 0 HB2 ALA A 91 -9.934 -1.199 8.251 1.00 51.24 H new ATOM 0 HB3 ALA A 91 -9.697 -0.903 6.512 1.00 51.24 H new ATOM 1462 N THR A 92 -8.212 -2.654 4.861 1.00 61.12 N ATOM 1463 CA THR A 92 -8.168 -3.127 3.460 1.00 14.22 C ATOM 1464 C THR A 92 -7.135 -4.260 3.240 1.00 12.31 C ATOM 1465 O THR A 92 -7.440 -5.255 2.573 1.00 63.41 O ATOM 1466 CB THR A 92 -7.870 -1.917 2.507 1.00 5.51 C ATOM 1467 OG1 THR A 92 -8.950 -0.969 2.600 1.00 10.21 O ATOM 1468 CG2 THR A 92 -7.684 -2.323 1.038 1.00 3.40 C ATOM 0 H THR A 92 -7.888 -1.693 4.967 1.00 61.12 H new ATOM 0 HA THR A 92 -9.144 -3.551 3.227 1.00 14.22 H new ATOM 0 HB THR A 92 -6.926 -1.482 2.835 1.00 5.51 H new ATOM 0 HG1 THR A 92 -8.789 -0.362 3.353 1.00 10.21 H new ATOM 0 HG21 THR A 92 -7.481 -1.436 0.438 1.00 3.40 H new ATOM 0 HG22 THR A 92 -6.847 -3.016 0.955 1.00 3.40 H new ATOM 0 HG23 THR A 92 -8.592 -2.806 0.676 1.00 3.40 H new ATOM 1476 N ILE A 93 -5.917 -4.096 3.794 1.00 25.34 N ATOM 1477 CA ILE A 93 -4.832 -5.093 3.639 1.00 24.05 C ATOM 1478 C ILE A 93 -5.148 -6.377 4.440 1.00 71.44 C ATOM 1479 O ILE A 93 -4.969 -7.487 3.929 1.00 54.43 O ATOM 1480 CB ILE A 93 -3.422 -4.498 4.032 1.00 60.54 C ATOM 1481 CG1 ILE A 93 -3.095 -3.257 3.133 1.00 73.32 C ATOM 1482 CG2 ILE A 93 -2.294 -5.564 3.925 1.00 74.50 C ATOM 1483 CD1 ILE A 93 -1.790 -2.551 3.456 1.00 42.21 C ATOM 0 H ILE A 93 -5.657 -3.283 4.353 1.00 25.34 H new ATOM 0 HA ILE A 93 -4.778 -5.358 2.583 1.00 24.05 H new ATOM 0 HB ILE A 93 -3.470 -4.183 5.074 1.00 60.54 H new ATOM 0 HG12 ILE A 93 -3.067 -3.580 2.092 1.00 73.32 H new ATOM 0 HG13 ILE A 93 -3.910 -2.539 3.222 1.00 73.32 H new ATOM 0 HG21 ILE A 93 -1.341 -5.114 4.204 1.00 74.50 H new ATOM 0 HG22 ILE A 93 -2.513 -6.394 4.596 1.00 74.50 H new ATOM 0 HG23 ILE A 93 -2.236 -5.931 2.900 1.00 74.50 H new ATOM 0 HD11 ILE A 93 -1.656 -1.707 2.779 1.00 42.21 H new ATOM 0 HD12 ILE A 93 -1.816 -2.191 4.484 1.00 42.21 H new ATOM 0 HD13 ILE A 93 -0.960 -3.248 3.337 1.00 42.21 H new ATOM 1495 N MET A 94 -5.676 -6.221 5.674 1.00 62.45 N ATOM 1496 CA MET A 94 -6.111 -7.378 6.497 1.00 53.53 C ATOM 1497 C MET A 94 -7.301 -8.106 5.832 1.00 20.31 C ATOM 1498 O MET A 94 -7.382 -9.333 5.884 1.00 51.44 O ATOM 1499 CB MET A 94 -6.464 -6.952 7.954 1.00 2.33 C ATOM 1500 CG MET A 94 -5.264 -6.448 8.779 1.00 44.31 C ATOM 1501 SD MET A 94 -5.677 -6.127 10.514 1.00 73.33 S ATOM 1502 CE MET A 94 -6.911 -4.826 10.395 1.00 3.10 C ATOM 0 H MET A 94 -5.812 -5.315 6.122 1.00 62.45 H new ATOM 0 HA MET A 94 -5.272 -8.071 6.556 1.00 53.53 H new ATOM 0 HB2 MET A 94 -7.219 -6.167 7.917 1.00 2.33 H new ATOM 0 HB3 MET A 94 -6.912 -7.801 8.469 1.00 2.33 H new ATOM 0 HG2 MET A 94 -4.464 -7.187 8.733 1.00 44.31 H new ATOM 0 HG3 MET A 94 -4.880 -5.533 8.328 1.00 44.31 H new ATOM 0 HE1 MET A 94 -7.215 -4.520 11.396 1.00 3.10 H new ATOM 0 HE2 MET A 94 -6.489 -3.971 9.867 1.00 3.10 H new ATOM 0 HE3 MET A 94 -7.779 -5.197 9.850 1.00 3.10 H new ATOM 1512 N ASP A 95 -8.194 -7.326 5.180 1.00 53.35 N ATOM 1513 CA ASP A 95 -9.341 -7.857 4.399 1.00 41.41 C ATOM 1514 C ASP A 95 -8.863 -8.621 3.153 1.00 34.23 C ATOM 1515 O ASP A 95 -9.470 -9.614 2.761 1.00 41.54 O ATOM 1516 CB ASP A 95 -10.293 -6.700 3.981 1.00 41.34 C ATOM 1517 CG ASP A 95 -11.510 -7.158 3.145 1.00 33.01 C ATOM 1518 OD1 ASP A 95 -12.475 -7.704 3.729 1.00 43.24 O ATOM 1519 OD2 ASP A 95 -11.506 -6.980 1.905 1.00 43.51 O ATOM 0 H ASP A 95 -8.141 -6.307 5.179 1.00 53.35 H new ATOM 0 HA ASP A 95 -9.884 -8.554 5.037 1.00 41.41 H new ATOM 0 HB2 ASP A 95 -10.651 -6.196 4.879 1.00 41.34 H new ATOM 0 HB3 ASP A 95 -9.727 -5.966 3.407 1.00 41.34 H new ATOM 1524 N PHE A 96 -7.773 -8.128 2.543 1.00 12.43 N ATOM 1525 CA PHE A 96 -7.157 -8.733 1.343 1.00 42.32 C ATOM 1526 C PHE A 96 -6.634 -10.146 1.647 1.00 2.24 C ATOM 1527 O PHE A 96 -6.888 -11.096 0.892 1.00 73.51 O ATOM 1528 CB PHE A 96 -6.013 -7.821 0.827 1.00 3.44 C ATOM 1529 CG PHE A 96 -5.283 -8.345 -0.407 1.00 64.45 C ATOM 1530 CD1 PHE A 96 -5.853 -8.220 -1.672 1.00 55.43 C ATOM 1531 CD2 PHE A 96 -4.032 -8.963 -0.304 1.00 33.40 C ATOM 1532 CE1 PHE A 96 -5.198 -8.691 -2.790 1.00 22.05 C ATOM 1533 CE2 PHE A 96 -3.385 -9.435 -1.426 1.00 73.11 C ATOM 1534 CZ PHE A 96 -3.970 -9.297 -2.667 1.00 41.04 C ATOM 0 H PHE A 96 -7.288 -7.292 2.869 1.00 12.43 H new ATOM 0 HA PHE A 96 -7.916 -8.822 0.566 1.00 42.32 H new ATOM 0 HB2 PHE A 96 -6.426 -6.839 0.598 1.00 3.44 H new ATOM 0 HB3 PHE A 96 -5.288 -7.683 1.629 1.00 3.44 H new ATOM 0 HD1 PHE A 96 -6.819 -7.749 -1.778 1.00 55.43 H new ATOM 0 HD2 PHE A 96 -3.568 -9.071 0.665 1.00 33.40 H new ATOM 0 HE1 PHE A 96 -5.651 -8.584 -3.765 1.00 22.05 H new ATOM 0 HE2 PHE A 96 -2.421 -9.912 -1.333 1.00 73.11 H new ATOM 0 HZ PHE A 96 -3.462 -9.666 -3.546 1.00 41.04 H new ATOM 1544 N PHE A 97 -5.911 -10.261 2.770 1.00 54.14 N ATOM 1545 CA PHE A 97 -5.367 -11.546 3.252 1.00 71.12 C ATOM 1546 C PHE A 97 -6.473 -12.427 3.869 1.00 51.40 C ATOM 1547 O PHE A 97 -6.346 -13.653 3.891 1.00 61.02 O ATOM 1548 CB PHE A 97 -4.211 -11.311 4.257 1.00 31.51 C ATOM 1549 CG PHE A 97 -2.903 -10.835 3.601 1.00 14.31 C ATOM 1550 CD1 PHE A 97 -1.958 -11.760 3.144 1.00 71.32 C ATOM 1551 CD2 PHE A 97 -2.612 -9.479 3.449 1.00 62.15 C ATOM 1552 CE1 PHE A 97 -0.775 -11.343 2.562 1.00 5.24 C ATOM 1553 CE2 PHE A 97 -1.426 -9.064 2.866 1.00 51.43 C ATOM 1554 CZ PHE A 97 -0.510 -9.998 2.425 1.00 41.21 C ATOM 0 H PHE A 97 -5.685 -9.469 3.372 1.00 54.14 H new ATOM 0 HA PHE A 97 -4.963 -12.082 2.393 1.00 71.12 H new ATOM 0 HB2 PHE A 97 -4.527 -10.572 4.993 1.00 31.51 H new ATOM 0 HB3 PHE A 97 -4.019 -12.238 4.798 1.00 31.51 H new ATOM 0 HD1 PHE A 97 -2.156 -12.817 3.247 1.00 71.32 H new ATOM 0 HD2 PHE A 97 -3.323 -8.741 3.791 1.00 62.15 H new ATOM 0 HE1 PHE A 97 -0.058 -12.072 2.215 1.00 5.24 H new ATOM 0 HE2 PHE A 97 -1.218 -8.010 2.756 1.00 51.43 H new ATOM 0 HZ PHE A 97 0.415 -9.674 1.972 1.00 41.21 H new ATOM 1564 N ALA A 98 -7.556 -11.792 4.356 1.00 64.53 N ATOM 1565 CA ALA A 98 -8.761 -12.499 4.848 1.00 4.15 C ATOM 1566 C ALA A 98 -9.567 -13.082 3.678 1.00 4.42 C ATOM 1567 O ALA A 98 -10.243 -14.100 3.829 1.00 50.14 O ATOM 1568 CB ALA A 98 -9.643 -11.557 5.681 1.00 50.21 C ATOM 0 H ALA A 98 -7.623 -10.776 4.421 1.00 64.53 H new ATOM 0 HA ALA A 98 -8.431 -13.320 5.485 1.00 4.15 H new ATOM 0 HB1 ALA A 98 -10.522 -12.097 6.032 1.00 50.21 H new ATOM 0 HB2 ALA A 98 -9.077 -11.190 6.537 1.00 50.21 H new ATOM 0 HB3 ALA A 98 -9.957 -10.714 5.066 1.00 50.21 H new ATOM 1574 N SER A 99 -9.496 -12.414 2.517 1.00 1.24 N ATOM 1575 CA SER A 99 -10.085 -12.911 1.260 1.00 11.51 C ATOM 1576 C SER A 99 -9.159 -13.972 0.649 1.00 60.13 C ATOM 1577 O SER A 99 -9.610 -14.894 -0.040 1.00 10.51 O ATOM 1578 CB SER A 99 -10.280 -11.745 0.263 1.00 25.55 C ATOM 1579 OG SER A 99 -11.128 -10.737 0.789 1.00 21.05 O ATOM 0 H SER A 99 -9.028 -11.513 2.421 1.00 1.24 H new ATOM 0 HA SER A 99 -11.058 -13.355 1.471 1.00 11.51 H new ATOM 0 HB2 SER A 99 -9.311 -11.312 0.016 1.00 25.55 H new ATOM 0 HB3 SER A 99 -10.704 -12.128 -0.665 1.00 25.55 H new ATOM 0 HG SER A 99 -10.673 -10.279 1.526 1.00 21.05 H new ATOM 1585 N GLY A 100 -7.852 -13.817 0.934 1.00 20.32 N ATOM 1586 CA GLY A 100 -6.818 -14.698 0.410 1.00 13.14 C ATOM 1587 C GLY A 100 -6.598 -14.525 -1.086 1.00 41.20 C ATOM 1588 O GLY A 100 -6.288 -15.495 -1.787 1.00 70.51 O ATOM 0 H GLY A 100 -7.494 -13.074 1.535 1.00 20.32 H new ATOM 0 HA2 GLY A 100 -5.882 -14.505 0.935 1.00 13.14 H new ATOM 0 HA3 GLY A 100 -7.091 -15.733 0.615 1.00 13.14 H new ATOM 1592 N LEU A 101 -6.774 -13.281 -1.569 1.00 73.12 N ATOM 1593 CA LEU A 101 -6.580 -12.931 -2.991 1.00 60.50 C ATOM 1594 C LEU A 101 -5.070 -12.985 -3.350 1.00 53.33 C ATOM 1595 O LEU A 101 -4.227 -12.728 -2.479 1.00 61.52 O ATOM 1596 CB LEU A 101 -7.151 -11.515 -3.294 1.00 65.03 C ATOM 1597 CG LEU A 101 -8.668 -11.285 -3.021 1.00 24.13 C ATOM 1598 CD1 LEU A 101 -9.079 -9.832 -3.361 1.00 25.43 C ATOM 1599 CD2 LEU A 101 -9.541 -12.310 -3.776 1.00 65.50 C ATOM 0 H LEU A 101 -7.054 -12.491 -0.987 1.00 73.12 H new ATOM 0 HA LEU A 101 -7.119 -13.656 -3.601 1.00 60.50 H new ATOM 0 HB2 LEU A 101 -6.588 -10.791 -2.705 1.00 65.03 H new ATOM 0 HB3 LEU A 101 -6.959 -11.291 -4.343 1.00 65.03 H new ATOM 0 HG LEU A 101 -8.840 -11.438 -1.956 1.00 24.13 H new ATOM 0 HD11 LEU A 101 -10.142 -9.698 -3.161 1.00 25.43 H new ATOM 0 HD12 LEU A 101 -8.505 -9.138 -2.747 1.00 25.43 H new ATOM 0 HD13 LEU A 101 -8.880 -9.635 -4.414 1.00 25.43 H new ATOM 0 HD21 LEU A 101 -10.593 -12.120 -3.562 1.00 65.50 H new ATOM 0 HD22 LEU A 101 -9.366 -12.217 -4.848 1.00 65.50 H new ATOM 0 HD23 LEU A 101 -9.282 -13.318 -3.452 1.00 65.50 H new ATOM 1611 N PRO A 102 -4.704 -13.355 -4.622 1.00 52.40 N ATOM 1612 CA PRO A 102 -3.305 -13.278 -5.105 1.00 4.34 C ATOM 1613 C PRO A 102 -2.786 -11.830 -5.064 1.00 71.21 C ATOM 1614 O PRO A 102 -3.476 -10.917 -5.536 1.00 5.41 O ATOM 1615 CB PRO A 102 -3.376 -13.805 -6.567 1.00 15.30 C ATOM 1616 CG PRO A 102 -4.681 -14.541 -6.663 1.00 21.02 C ATOM 1617 CD PRO A 102 -5.613 -13.877 -5.676 1.00 72.43 C ATOM 0 HA PRO A 102 -2.619 -13.857 -4.487 1.00 4.34 H new ATOM 0 HB2 PRO A 102 -3.334 -12.984 -7.283 1.00 15.30 H new ATOM 0 HB3 PRO A 102 -2.536 -14.464 -6.788 1.00 15.30 H new ATOM 0 HG2 PRO A 102 -5.084 -14.489 -7.674 1.00 21.02 H new ATOM 0 HG3 PRO A 102 -4.551 -15.597 -6.426 1.00 21.02 H new ATOM 0 HD2 PRO A 102 -6.185 -13.075 -6.143 1.00 72.43 H new ATOM 0 HD3 PRO A 102 -6.333 -14.586 -5.267 1.00 72.43 H new ATOM 1625 N LEU A 103 -1.593 -11.634 -4.474 1.00 3.05 N ATOM 1626 CA LEU A 103 -0.942 -10.315 -4.368 1.00 4.41 C ATOM 1627 C LEU A 103 -0.755 -9.710 -5.775 1.00 44.14 C ATOM 1628 O LEU A 103 -1.016 -8.530 -5.987 1.00 22.51 O ATOM 1629 CB LEU A 103 0.403 -10.471 -3.583 1.00 35.35 C ATOM 1630 CG LEU A 103 1.048 -9.186 -2.945 1.00 41.34 C ATOM 1631 CD1 LEU A 103 1.662 -8.236 -3.987 1.00 63.22 C ATOM 1632 CD2 LEU A 103 0.049 -8.435 -2.033 1.00 12.42 C ATOM 0 H LEU A 103 -1.051 -12.390 -4.055 1.00 3.05 H new ATOM 0 HA LEU A 103 -1.566 -9.618 -3.809 1.00 4.41 H new ATOM 0 HB2 LEU A 103 0.239 -11.193 -2.783 1.00 35.35 H new ATOM 0 HB3 LEU A 103 1.135 -10.908 -4.262 1.00 35.35 H new ATOM 0 HG LEU A 103 1.871 -9.545 -2.326 1.00 41.34 H new ATOM 0 HD11 LEU A 103 2.090 -7.370 -3.482 1.00 63.22 H new ATOM 0 HD12 LEU A 103 2.444 -8.758 -4.539 1.00 63.22 H new ATOM 0 HD13 LEU A 103 0.888 -7.906 -4.680 1.00 63.22 H new ATOM 0 HD21 LEU A 103 0.533 -7.554 -1.612 1.00 12.42 H new ATOM 0 HD22 LEU A 103 -0.818 -8.128 -2.618 1.00 12.42 H new ATOM 0 HD23 LEU A 103 -0.272 -9.093 -1.226 1.00 12.42 H new ATOM 1644 N VAL A 104 -0.338 -10.551 -6.730 1.00 13.00 N ATOM 1645 CA VAL A 104 -0.164 -10.164 -8.144 1.00 0.40 C ATOM 1646 C VAL A 104 -1.091 -11.007 -9.042 1.00 34.44 C ATOM 1647 O VAL A 104 -1.171 -12.232 -8.881 1.00 72.54 O ATOM 1648 CB VAL A 104 1.331 -10.359 -8.601 1.00 22.21 C ATOM 1649 CG1 VAL A 104 1.528 -9.955 -10.081 1.00 1.14 C ATOM 1650 CG2 VAL A 104 2.295 -9.581 -7.679 1.00 64.43 C ATOM 0 H VAL A 104 -0.109 -11.528 -6.546 1.00 13.00 H new ATOM 0 HA VAL A 104 -0.424 -9.110 -8.240 1.00 0.40 H new ATOM 0 HB VAL A 104 1.567 -11.420 -8.518 1.00 22.21 H new ATOM 0 HG11 VAL A 104 2.571 -10.102 -10.363 1.00 1.14 H new ATOM 0 HG12 VAL A 104 0.890 -10.572 -10.714 1.00 1.14 H new ATOM 0 HG13 VAL A 104 1.262 -8.906 -10.210 1.00 1.14 H new ATOM 0 HG21 VAL A 104 3.321 -9.732 -8.015 1.00 64.43 H new ATOM 0 HG22 VAL A 104 2.054 -8.519 -7.714 1.00 64.43 H new ATOM 0 HG23 VAL A 104 2.192 -9.943 -6.656 1.00 64.43 H new ATOM 1660 N THR A 105 -1.780 -10.340 -9.986 1.00 21.22 N ATOM 1661 CA THR A 105 -2.631 -11.000 -10.988 1.00 31.51 C ATOM 1662 C THR A 105 -1.823 -11.258 -12.281 1.00 62.00 C ATOM 1663 O THR A 105 -1.849 -12.372 -12.822 1.00 34.31 O ATOM 1664 CB THR A 105 -3.917 -10.148 -11.259 1.00 22.51 C ATOM 1665 OG1 THR A 105 -3.572 -8.752 -11.375 1.00 1.44 O ATOM 1666 CG2 THR A 105 -4.946 -10.311 -10.131 1.00 65.43 C ATOM 0 H THR A 105 -1.761 -9.324 -10.074 1.00 21.22 H new ATOM 0 HA THR A 105 -2.959 -11.966 -10.604 1.00 31.51 H new ATOM 0 HB THR A 105 -4.356 -10.505 -12.190 1.00 22.51 H new ATOM 0 HG1 THR A 105 -4.375 -8.233 -11.591 1.00 1.44 H new ATOM 0 HG21 THR A 105 -5.826 -9.706 -10.351 1.00 65.43 H new ATOM 0 HG22 THR A 105 -5.236 -11.359 -10.052 1.00 65.43 H new ATOM 0 HG23 THR A 105 -4.507 -9.984 -9.188 1.00 65.43 H new