USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 764 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 102 GLN : amide:sc= -1.84! C(o=-2.8!,f=-4.8!) USER MOD Set 1.2: A 103 ASN : amide:sc= -1 X(o=-2.8,f=-2.7) USER MOD Set 2.1: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 88 SER OG : rot 49:sc= 1.37 USER MOD Set 3.1: A 37 THR OG1 : rot 180:sc= -0.346 USER MOD Set 3.2: A 48 THR OG1 : rot 65:sc= 1.28 USER MOD Set 4.1: A 20 THR OG1 : rot -74:sc= 0.864 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0.752 USER MOD Set 5.1: A 17 TYR OH : rot -169:sc= 1.34 USER MOD Set 5.2: A 18 TYR OH : rot 62:sc= -0.0906 USER MOD Set 5.3: A 64 TYR OH : rot 59:sc= 1.83 USER MOD Single : A 14 THR OG1 : rot 25:sc= 0.158 USER MOD Single : A 30 THR OG1 : rot -30:sc= 0.129 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.352 USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00157 USER MOD Single : A 51 MET CE :methyl -160:sc= -0.127 (180deg=-0.58) USER MOD Single : A 58 GLN : amide:sc= -0.923 K(o=-0.92,f=-0.0025) USER MOD Single : A 62 MET CE :methyl -151:sc= -0.208 (180deg=-0.909) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc=-0.00932 (180deg=-0.0964) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.916 K(o=-0.92,f=0) USER MOD Single : A 70 SER OG : rot 160:sc= 0.935 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -1:sc= 0.949 USER MOD Single : A 78 GLN : amide:sc= -4.82! C(o=-4.8!,f=-13!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.998) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -120:sc= 1.27 (180deg=-0.728) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -159:sc= 0.593 (180deg=0.353) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -142:sc= -2.96! (180deg=-6.75!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 6.475 12.871 -13.918 1.00 0.00 N ATOM 205 CA THR A 14 5.017 12.845 -13.907 1.00 0.00 C ATOM 206 C THR A 14 4.460 11.928 -12.805 1.00 0.00 C ATOM 207 O THR A 14 3.706 12.389 -11.949 1.00 0.00 O ATOM 208 CB THR A 14 4.461 12.414 -15.280 1.00 0.00 C ATOM 209 OG1 THR A 14 5.033 13.234 -16.307 1.00 0.00 O ATOM 210 CG2 THR A 14 2.939 12.531 -15.316 1.00 0.00 C ATOM 0 HA THR A 14 4.688 13.862 -13.692 1.00 0.00 H new ATOM 0 HB THR A 14 4.728 11.371 -15.448 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.895 13.587 -16.002 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.573 12.221 -16.295 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.507 11.890 -14.548 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.649 13.565 -15.131 1.00 0.00 H new ATOM 218 N PRO A 15 4.802 10.617 -12.807 1.00 0.00 N ATOM 219 CA PRO A 15 4.298 9.676 -11.800 1.00 0.00 C ATOM 220 C PRO A 15 4.872 9.953 -10.416 1.00 0.00 C ATOM 221 O PRO A 15 5.922 9.431 -10.048 1.00 0.00 O ATOM 222 CB PRO A 15 4.754 8.302 -12.305 1.00 0.00 C ATOM 223 CG PRO A 15 5.192 8.521 -13.715 1.00 0.00 C ATOM 224 CD PRO A 15 5.680 9.937 -13.773 1.00 0.00 C ATOM 0 HA PRO A 15 3.217 9.754 -11.686 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.570 7.911 -11.697 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.943 7.576 -12.254 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.982 7.823 -13.992 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.368 8.362 -14.410 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.730 10.016 -13.492 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.585 10.358 -14.774 1.00 0.00 H new ATOM 232 N PHE A 16 4.172 10.784 -9.662 1.00 0.00 N ATOM 233 CA PHE A 16 4.606 11.192 -8.333 1.00 0.00 C ATOM 234 C PHE A 16 4.389 10.090 -7.296 1.00 0.00 C ATOM 235 O PHE A 16 4.846 10.204 -6.165 1.00 0.00 O ATOM 236 CB PHE A 16 3.849 12.461 -7.919 1.00 0.00 C ATOM 237 CG PHE A 16 2.354 12.342 -8.056 1.00 0.00 C ATOM 238 CD1 PHE A 16 1.584 11.860 -7.011 1.00 0.00 C ATOM 239 CD2 PHE A 16 1.722 12.701 -9.238 1.00 0.00 C ATOM 240 CE1 PHE A 16 0.214 11.740 -7.139 1.00 0.00 C ATOM 241 CE2 PHE A 16 0.352 12.579 -9.374 1.00 0.00 C ATOM 242 CZ PHE A 16 -0.403 12.097 -8.323 1.00 0.00 C ATOM 0 H PHE A 16 3.286 11.196 -9.953 1.00 0.00 H new ATOM 0 HA PHE A 16 5.677 11.392 -8.374 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.093 12.698 -6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.196 13.296 -8.528 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.060 11.574 -6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.308 13.081 -10.062 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.375 11.367 -6.314 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.127 12.860 -10.300 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.474 11.999 -8.426 1.00 0.00 H new ATOM 252 N TYR A 17 3.688 9.027 -7.680 1.00 0.00 N ATOM 253 CA TYR A 17 3.350 7.974 -6.734 1.00 0.00 C ATOM 254 C TYR A 17 4.482 6.956 -6.585 1.00 0.00 C ATOM 255 O TYR A 17 4.458 6.128 -5.674 1.00 0.00 O ATOM 256 CB TYR A 17 2.048 7.279 -7.147 1.00 0.00 C ATOM 257 CG TYR A 17 2.175 6.265 -8.269 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.171 6.655 -9.603 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.277 4.909 -7.983 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.264 5.721 -10.620 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.376 3.972 -8.990 1.00 0.00 C ATOM 262 CZ TYR A 17 2.368 4.380 -10.306 1.00 0.00 C ATOM 263 OH TYR A 17 2.466 3.440 -11.309 1.00 0.00 O ATOM 0 H TYR A 17 3.347 8.875 -8.629 1.00 0.00 H new ATOM 0 HA TYR A 17 3.205 8.442 -5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.632 6.778 -6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.330 8.041 -7.449 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.094 7.704 -9.850 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.279 4.583 -6.953 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.255 6.039 -11.652 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.459 2.923 -8.748 1.00 0.00 H new ATOM 0 HH TYR A 17 2.356 2.543 -10.929 1.00 0.00 H new ATOM 273 N TYR A 18 5.474 7.017 -7.473 1.00 0.00 N ATOM 274 CA TYR A 18 6.607 6.107 -7.402 1.00 0.00 C ATOM 275 C TYR A 18 7.518 6.465 -6.239 1.00 0.00 C ATOM 276 O TYR A 18 7.602 7.624 -5.838 1.00 0.00 O ATOM 277 CB TYR A 18 7.402 6.127 -8.708 1.00 0.00 C ATOM 278 CG TYR A 18 6.760 5.346 -9.831 1.00 0.00 C ATOM 279 CD1 TYR A 18 6.212 4.091 -9.601 1.00 0.00 C ATOM 280 CD2 TYR A 18 6.708 5.857 -11.118 1.00 0.00 C ATOM 281 CE1 TYR A 18 5.625 3.372 -10.621 1.00 0.00 C ATOM 282 CE2 TYR A 18 6.121 5.143 -12.146 1.00 0.00 C ATOM 283 CZ TYR A 18 5.581 3.903 -11.892 1.00 0.00 C ATOM 284 OH TYR A 18 4.985 3.191 -12.910 1.00 0.00 O ATOM 0 H TYR A 18 5.513 7.684 -8.244 1.00 0.00 H new ATOM 0 HA TYR A 18 6.216 5.102 -7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.532 7.161 -9.027 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.397 5.724 -8.522 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.246 3.671 -8.607 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.133 6.829 -11.321 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.202 2.398 -10.425 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.086 5.556 -13.143 1.00 0.00 H new ATOM 0 HH TYR A 18 4.039 3.049 -12.699 1.00 0.00 H new ATOM 294 N GLY A 19 8.193 5.461 -5.702 1.00 0.00 N ATOM 295 CA GLY A 19 9.116 5.688 -4.611 1.00 0.00 C ATOM 296 C GLY A 19 8.706 4.962 -3.349 1.00 0.00 C ATOM 297 O GLY A 19 7.832 4.090 -3.379 1.00 0.00 O ATOM 0 H GLY A 19 8.118 4.490 -6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.113 5.361 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.179 6.757 -4.408 1.00 0.00 H new ATOM 301 N THR A 20 9.334 5.319 -2.241 1.00 0.00 N ATOM 302 CA THR A 20 9.034 4.712 -0.955 1.00 0.00 C ATOM 303 C THR A 20 8.340 5.716 -0.039 1.00 0.00 C ATOM 304 O THR A 20 8.815 6.839 0.146 1.00 0.00 O ATOM 305 CB THR A 20 10.320 4.194 -0.277 1.00 0.00 C ATOM 306 OG1 THR A 20 11.005 3.289 -1.158 1.00 0.00 O ATOM 307 CG2 THR A 20 10.001 3.481 1.029 1.00 0.00 C ATOM 0 H THR A 20 10.062 6.033 -2.207 1.00 0.00 H new ATOM 0 HA THR A 20 8.367 3.868 -1.131 1.00 0.00 H new ATOM 0 HB THR A 20 10.956 5.052 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.523 2.437 -1.191 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.925 3.126 1.485 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.503 4.172 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.346 2.633 0.830 1.00 0.00 H new ATOM 315 N TRP A 21 7.208 5.314 0.512 1.00 0.00 N ATOM 316 CA TRP A 21 6.439 6.172 1.397 1.00 0.00 C ATOM 317 C TRP A 21 6.439 5.609 2.817 1.00 0.00 C ATOM 318 O TRP A 21 6.152 4.427 3.026 1.00 0.00 O ATOM 319 CB TRP A 21 5.007 6.312 0.877 1.00 0.00 C ATOM 320 CG TRP A 21 4.933 6.813 -0.536 1.00 0.00 C ATOM 321 CD1 TRP A 21 5.040 6.069 -1.674 1.00 0.00 C ATOM 322 CD2 TRP A 21 4.733 8.167 -0.961 1.00 0.00 C ATOM 323 NE1 TRP A 21 4.925 6.876 -2.780 1.00 0.00 N ATOM 324 CE2 TRP A 21 4.743 8.168 -2.369 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.557 9.378 -0.287 1.00 0.00 C ATOM 326 CZ2 TRP A 21 4.571 9.331 -3.113 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.392 10.533 -1.028 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.404 10.503 -2.428 1.00 0.00 C ATOM 0 H TRP A 21 6.799 4.392 0.361 1.00 0.00 H new ATOM 0 HA TRP A 21 6.902 7.159 1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.510 5.344 0.938 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.458 6.994 1.526 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.193 5.000 -1.702 1.00 0.00 H new ATOM 0 HE1 TRP A 21 4.968 6.563 -3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.550 9.411 0.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.569 9.309 -4.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.251 11.475 -0.519 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.279 11.424 -2.978 1.00 0.00 H new ATOM 339 N ASP A 22 6.787 6.451 3.779 1.00 0.00 N ATOM 340 CA ASP A 22 6.827 6.054 5.184 1.00 0.00 C ATOM 341 C ASP A 22 5.473 6.250 5.865 1.00 0.00 C ATOM 342 O ASP A 22 4.932 7.359 5.898 1.00 0.00 O ATOM 343 CB ASP A 22 7.903 6.859 5.925 1.00 0.00 C ATOM 344 CG ASP A 22 7.906 6.637 7.430 1.00 0.00 C ATOM 345 OD1 ASP A 22 8.522 5.654 7.895 1.00 0.00 O ATOM 346 OD2 ASP A 22 7.320 7.470 8.159 1.00 0.00 O ATOM 0 H ASP A 22 7.048 7.423 3.612 1.00 0.00 H new ATOM 0 HA ASP A 22 7.071 4.992 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.882 6.594 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.754 7.920 5.724 1.00 0.00 H new ATOM 351 N GLU A 23 4.926 5.159 6.382 1.00 0.00 N ATOM 352 CA GLU A 23 3.742 5.200 7.219 1.00 0.00 C ATOM 353 C GLU A 23 4.130 5.123 8.689 1.00 0.00 C ATOM 354 O GLU A 23 4.017 4.072 9.327 1.00 0.00 O ATOM 355 CB GLU A 23 2.812 4.048 6.868 1.00 0.00 C ATOM 356 CG GLU A 23 1.837 4.369 5.756 1.00 0.00 C ATOM 357 CD GLU A 23 0.584 5.051 6.278 1.00 0.00 C ATOM 358 OE1 GLU A 23 0.308 4.940 7.497 1.00 0.00 O ATOM 359 OE2 GLU A 23 -0.141 5.677 5.479 1.00 0.00 O ATOM 0 H GLU A 23 5.294 4.220 6.231 1.00 0.00 H new ATOM 0 HA GLU A 23 3.224 6.142 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.411 3.185 6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.252 3.761 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.322 5.014 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.561 3.450 5.239 1.00 0.00 H new ATOM 366 N GLY A 24 4.621 6.232 9.209 1.00 0.00 N ATOM 367 CA GLY A 24 4.986 6.304 10.608 1.00 0.00 C ATOM 368 C GLY A 24 3.960 7.075 11.405 1.00 0.00 C ATOM 369 O GLY A 24 4.306 7.868 12.281 1.00 0.00 O ATOM 0 H GLY A 24 4.775 7.093 8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.082 5.297 11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.961 6.782 10.707 1.00 0.00 H new ATOM 373 N ARG A 25 2.692 6.848 11.090 1.00 0.00 N ATOM 374 CA ARG A 25 1.597 7.528 11.751 1.00 0.00 C ATOM 375 C ARG A 25 0.590 6.505 12.253 1.00 0.00 C ATOM 376 O ARG A 25 0.369 5.478 11.605 1.00 0.00 O ATOM 377 CB ARG A 25 0.918 8.514 10.789 1.00 0.00 C ATOM 378 CG ARG A 25 -0.297 9.213 11.385 1.00 0.00 C ATOM 379 CD ARG A 25 -0.955 10.160 10.387 1.00 0.00 C ATOM 380 NE ARG A 25 -0.109 11.316 10.080 1.00 0.00 N ATOM 381 CZ ARG A 25 -0.554 12.453 9.541 1.00 0.00 C ATOM 382 NH1 ARG A 25 -1.835 12.583 9.212 1.00 0.00 N ATOM 383 NH2 ARG A 25 0.290 13.456 9.325 1.00 0.00 N ATOM 0 H ARG A 25 2.398 6.188 10.370 1.00 0.00 H new ATOM 0 HA ARG A 25 1.989 8.091 12.598 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.644 9.266 10.482 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.613 7.979 9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.022 8.467 11.710 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.004 9.772 12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.176 9.619 9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.907 10.506 10.790 1.00 0.00 H new ATOM 0 HE ARG A 25 0.886 11.247 10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.483 11.812 9.371 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.170 13.454 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.275 13.356 9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.047 14.326 8.913 1.00 0.00 H new ATOM 397 N ALA A 26 -0.001 6.803 13.408 1.00 0.00 N ATOM 398 CA ALA A 26 -1.020 5.955 14.032 1.00 0.00 C ATOM 399 C ALA A 26 -0.417 4.664 14.596 1.00 0.00 C ATOM 400 O ALA A 26 0.670 4.240 14.193 1.00 0.00 O ATOM 401 CB ALA A 26 -2.148 5.651 13.051 1.00 0.00 C ATOM 0 H ALA A 26 0.214 7.645 13.943 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.439 6.510 14.872 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.892 5.020 13.537 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.614 6.583 12.733 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.744 5.132 12.182 1.00 0.00 H new ATOM 407 N PRO A 27 -1.096 4.046 15.578 1.00 0.00 N ATOM 408 CA PRO A 27 -0.662 2.770 16.151 1.00 0.00 C ATOM 409 C PRO A 27 -0.641 1.658 15.109 1.00 0.00 C ATOM 410 O PRO A 27 -1.583 1.508 14.323 1.00 0.00 O ATOM 411 CB PRO A 27 -1.708 2.472 17.231 1.00 0.00 C ATOM 412 CG PRO A 27 -2.356 3.783 17.515 1.00 0.00 C ATOM 413 CD PRO A 27 -2.322 4.547 16.224 1.00 0.00 C ATOM 0 HA PRO A 27 0.354 2.826 16.541 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.436 1.739 16.883 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.244 2.059 18.127 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.381 3.645 17.861 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.824 4.320 18.301 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.206 4.354 15.617 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.279 5.623 16.392 1.00 0.00 H new ATOM 421 N GLY A 28 0.434 0.886 15.106 1.00 0.00 N ATOM 422 CA GLY A 28 0.573 -0.187 14.150 1.00 0.00 C ATOM 423 C GLY A 28 0.154 -1.525 14.725 1.00 0.00 C ATOM 424 O GLY A 28 -0.340 -1.588 15.855 1.00 0.00 O ATOM 0 H GLY A 28 1.216 0.986 15.753 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.031 0.033 13.269 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.610 -0.244 13.819 1.00 0.00 H new ATOM 428 N PRO A 29 0.339 -2.613 13.964 1.00 0.00 N ATOM 429 CA PRO A 29 -0.041 -3.964 14.390 1.00 0.00 C ATOM 430 C PRO A 29 0.672 -4.403 15.668 1.00 0.00 C ATOM 431 O PRO A 29 1.897 -4.349 15.763 1.00 0.00 O ATOM 432 CB PRO A 29 0.377 -4.853 13.211 1.00 0.00 C ATOM 433 CG PRO A 29 1.347 -4.040 12.425 1.00 0.00 C ATOM 434 CD PRO A 29 0.939 -2.610 12.620 1.00 0.00 C ATOM 0 HA PRO A 29 -1.103 -4.022 14.627 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.833 -5.779 13.560 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.485 -5.131 12.604 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.367 -4.206 12.772 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.321 -4.313 11.370 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.793 -1.936 12.562 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.226 -2.287 11.861 1.00 0.00 H new ATOM 442 N THR A 30 -0.108 -4.864 16.639 1.00 0.00 N ATOM 443 CA THR A 30 0.428 -5.321 17.915 1.00 0.00 C ATOM 444 C THR A 30 1.244 -6.605 17.728 1.00 0.00 C ATOM 445 O THR A 30 1.942 -7.061 18.639 1.00 0.00 O ATOM 446 CB THR A 30 -0.715 -5.569 18.924 1.00 0.00 C ATOM 447 OG1 THR A 30 -0.189 -5.752 20.249 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.539 -6.786 18.527 1.00 0.00 C ATOM 0 H THR A 30 -1.123 -4.931 16.565 1.00 0.00 H new ATOM 0 HA THR A 30 1.082 -4.542 18.307 1.00 0.00 H new ATOM 0 HB THR A 30 -1.362 -4.692 18.915 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.708 -6.143 20.194 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.337 -6.938 19.254 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.973 -6.625 17.540 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.898 -7.667 18.502 1.00 0.00 H new ATOM 456 N ASP A 31 1.138 -7.172 16.532 1.00 0.00 N ATOM 457 CA ASP A 31 1.865 -8.379 16.155 1.00 0.00 C ATOM 458 C ASP A 31 3.372 -8.208 16.341 1.00 0.00 C ATOM 459 O ASP A 31 4.075 -9.156 16.693 1.00 0.00 O ATOM 460 CB ASP A 31 1.542 -8.729 14.701 1.00 0.00 C ATOM 461 CG ASP A 31 2.206 -10.006 14.229 1.00 0.00 C ATOM 462 OD1 ASP A 31 1.889 -11.085 14.773 1.00 0.00 O ATOM 463 OD2 ASP A 31 3.029 -9.937 13.294 1.00 0.00 O ATOM 0 H ASP A 31 0.541 -6.805 15.791 1.00 0.00 H new ATOM 0 HA ASP A 31 1.548 -9.193 16.808 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.462 -8.827 14.590 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.855 -7.906 14.059 1.00 0.00 H new ATOM 468 N GLY A 32 3.862 -6.996 16.129 1.00 0.00 N ATOM 469 CA GLY A 32 5.276 -6.742 16.312 1.00 0.00 C ATOM 470 C GLY A 32 5.774 -5.547 15.528 1.00 0.00 C ATOM 471 O GLY A 32 6.738 -4.895 15.929 1.00 0.00 O ATOM 0 H GLY A 32 3.311 -6.189 15.836 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.476 -6.582 17.372 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.839 -7.626 16.012 1.00 0.00 H new ATOM 475 N VAL A 33 5.119 -5.256 14.413 1.00 0.00 N ATOM 476 CA VAL A 33 5.528 -4.150 13.558 1.00 0.00 C ATOM 477 C VAL A 33 4.965 -2.839 14.094 1.00 0.00 C ATOM 478 O VAL A 33 3.785 -2.757 14.422 1.00 0.00 O ATOM 479 CB VAL A 33 5.019 -4.347 12.114 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.721 -3.399 11.159 1.00 0.00 C ATOM 481 CG2 VAL A 33 5.187 -5.796 11.670 1.00 0.00 C ATOM 0 H VAL A 33 4.303 -5.769 14.079 1.00 0.00 H new ATOM 0 HA VAL A 33 6.618 -4.120 13.554 1.00 0.00 H new ATOM 0 HB VAL A 33 3.954 -4.113 12.096 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.345 -3.557 10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.528 -2.370 11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.794 -3.589 11.181 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.821 -5.909 10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.242 -6.069 11.709 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.619 -6.448 12.333 1.00 0.00 H new ATOM 491 N LYS A 34 5.798 -1.812 14.173 1.00 0.00 N ATOM 492 CA LYS A 34 5.348 -0.525 14.673 1.00 0.00 C ATOM 493 C LYS A 34 4.859 0.361 13.541 1.00 0.00 C ATOM 494 O LYS A 34 3.964 1.186 13.721 1.00 0.00 O ATOM 495 CB LYS A 34 6.473 0.190 15.415 1.00 0.00 C ATOM 496 CG LYS A 34 6.997 -0.557 16.631 1.00 0.00 C ATOM 497 CD LYS A 34 7.777 0.367 17.557 1.00 0.00 C ATOM 498 CE LYS A 34 8.898 1.093 16.827 1.00 0.00 C ATOM 499 NZ LYS A 34 9.600 2.056 17.714 1.00 0.00 N ATOM 0 H LYS A 34 6.780 -1.845 13.900 1.00 0.00 H new ATOM 0 HA LYS A 34 4.523 -0.714 15.360 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.299 0.358 14.723 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.117 1.171 15.731 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.163 -1.000 17.175 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.638 -1.377 16.308 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.098 1.098 17.996 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.196 -0.213 18.379 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.613 0.365 16.443 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.489 1.623 15.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.357 2.531 17.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.923 2.765 18.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.012 1.547 18.522 1.00 0.00 H new ATOM 513 N SER A 35 5.452 0.184 12.374 1.00 0.00 N ATOM 514 CA SER A 35 5.182 1.043 11.229 1.00 0.00 C ATOM 515 C SER A 35 5.600 0.335 9.950 1.00 0.00 C ATOM 516 O SER A 35 6.337 -0.650 9.998 1.00 0.00 O ATOM 517 CB SER A 35 5.944 2.366 11.361 1.00 0.00 C ATOM 518 OG SER A 35 5.650 3.011 12.591 1.00 0.00 O ATOM 0 H SER A 35 6.131 -0.555 12.191 1.00 0.00 H new ATOM 0 HA SER A 35 4.114 1.257 11.194 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.016 2.179 11.293 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.682 3.023 10.532 1.00 0.00 H new ATOM 0 HG SER A 35 6.151 3.851 12.648 1.00 0.00 H new ATOM 524 N ALA A 36 5.153 0.836 8.811 1.00 0.00 N ATOM 525 CA ALA A 36 5.454 0.195 7.543 1.00 0.00 C ATOM 526 C ALA A 36 5.885 1.213 6.498 1.00 0.00 C ATOM 527 O ALA A 36 5.545 2.393 6.584 1.00 0.00 O ATOM 528 CB ALA A 36 4.248 -0.589 7.047 1.00 0.00 C ATOM 0 H ALA A 36 4.584 1.679 8.738 1.00 0.00 H new ATOM 0 HA ALA A 36 6.283 -0.494 7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.489 -1.064 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.985 -1.354 7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.405 0.088 6.911 1.00 0.00 H new ATOM 534 N THR A 37 6.648 0.751 5.528 1.00 0.00 N ATOM 535 CA THR A 37 7.038 1.570 4.402 1.00 0.00 C ATOM 536 C THR A 37 6.601 0.896 3.112 1.00 0.00 C ATOM 537 O THR A 37 6.840 -0.295 2.908 1.00 0.00 O ATOM 538 CB THR A 37 8.560 1.823 4.386 1.00 0.00 C ATOM 539 OG1 THR A 37 9.260 0.615 4.717 1.00 0.00 O ATOM 540 CG2 THR A 37 8.942 2.922 5.366 1.00 0.00 C ATOM 0 H THR A 37 7.014 -0.201 5.499 1.00 0.00 H new ATOM 0 HA THR A 37 6.547 2.539 4.494 1.00 0.00 H new ATOM 0 HB THR A 37 8.840 2.144 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.226 0.782 4.704 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.020 3.079 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.432 3.846 5.093 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.648 2.629 6.374 1.00 0.00 H new ATOM 548 N VAL A 38 5.943 1.643 2.252 1.00 0.00 N ATOM 549 CA VAL A 38 5.430 1.081 1.018 1.00 0.00 C ATOM 550 C VAL A 38 6.170 1.657 -0.180 1.00 0.00 C ATOM 551 O VAL A 38 6.357 2.867 -0.288 1.00 0.00 O ATOM 552 CB VAL A 38 3.904 1.311 0.879 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.558 2.793 0.914 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.373 0.664 -0.392 1.00 0.00 C ATOM 0 H VAL A 38 5.750 2.636 2.382 1.00 0.00 H new ATOM 0 HA VAL A 38 5.600 0.005 1.049 1.00 0.00 H new ATOM 0 HB VAL A 38 3.421 0.838 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.480 2.917 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.886 3.221 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.060 3.303 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.300 0.839 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.874 1.098 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.565 -0.409 -0.362 1.00 0.00 H new ATOM 564 N THR A 39 6.624 0.778 -1.051 1.00 0.00 N ATOM 565 CA THR A 39 7.327 1.189 -2.247 1.00 0.00 C ATOM 566 C THR A 39 6.513 0.816 -3.476 1.00 0.00 C ATOM 567 O THR A 39 6.106 -0.337 -3.637 1.00 0.00 O ATOM 568 CB THR A 39 8.723 0.541 -2.321 1.00 0.00 C ATOM 569 OG1 THR A 39 9.470 0.868 -1.140 1.00 0.00 O ATOM 570 CG2 THR A 39 9.489 1.016 -3.546 1.00 0.00 C ATOM 0 H THR A 39 6.517 -0.231 -0.951 1.00 0.00 H new ATOM 0 HA THR A 39 7.458 2.271 -2.213 1.00 0.00 H new ATOM 0 HB THR A 39 8.590 -0.538 -2.395 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.357 0.454 -1.189 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.470 0.541 -3.569 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.936 0.750 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.612 2.098 -3.501 1.00 0.00 H new ATOM 578 N PHE A 40 6.272 1.788 -4.335 1.00 0.00 N ATOM 579 CA PHE A 40 5.491 1.553 -5.535 1.00 0.00 C ATOM 580 C PHE A 40 6.406 1.399 -6.733 1.00 0.00 C ATOM 581 O PHE A 40 7.148 2.317 -7.092 1.00 0.00 O ATOM 582 CB PHE A 40 4.500 2.697 -5.778 1.00 0.00 C ATOM 583 CG PHE A 40 3.371 2.752 -4.784 1.00 0.00 C ATOM 584 CD1 PHE A 40 2.199 2.043 -5.002 1.00 0.00 C ATOM 585 CD2 PHE A 40 3.479 3.518 -3.634 1.00 0.00 C ATOM 586 CE1 PHE A 40 1.160 2.097 -4.092 1.00 0.00 C ATOM 587 CE2 PHE A 40 2.440 3.575 -2.723 1.00 0.00 C ATOM 588 CZ PHE A 40 1.280 2.862 -2.953 1.00 0.00 C ATOM 0 H PHE A 40 6.605 2.746 -4.225 1.00 0.00 H new ATOM 0 HA PHE A 40 4.925 0.632 -5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.040 3.643 -5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.083 2.596 -6.780 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.097 1.442 -5.893 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.384 4.076 -3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.253 1.539 -4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.536 4.177 -1.832 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.469 2.904 -2.241 1.00 0.00 H new ATOM 598 N THR A 41 6.354 0.225 -7.332 1.00 0.00 N ATOM 599 CA THR A 41 7.110 -0.062 -8.529 1.00 0.00 C ATOM 600 C THR A 41 6.171 0.037 -9.733 1.00 0.00 C ATOM 601 O THR A 41 4.982 0.313 -9.567 1.00 0.00 O ATOM 602 CB THR A 41 7.748 -1.468 -8.442 1.00 0.00 C ATOM 603 OG1 THR A 41 8.027 -1.791 -7.072 1.00 0.00 O ATOM 604 CG2 THR A 41 9.049 -1.539 -9.237 1.00 0.00 C ATOM 0 H THR A 41 5.786 -0.554 -7.000 1.00 0.00 H new ATOM 0 HA THR A 41 7.920 0.660 -8.639 1.00 0.00 H new ATOM 0 HB THR A 41 7.039 -2.181 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.429 -2.683 -7.022 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.471 -2.540 -9.155 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.848 -1.315 -10.285 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.758 -0.812 -8.840 1.00 0.00 H new ATOM 612 N GLU A 42 6.696 -0.180 -10.930 1.00 0.00 N ATOM 613 CA GLU A 42 5.929 -0.051 -12.152 1.00 0.00 C ATOM 614 C GLU A 42 4.643 -0.872 -12.111 1.00 0.00 C ATOM 615 O GLU A 42 3.541 -0.323 -12.144 1.00 0.00 O ATOM 616 CB GLU A 42 6.785 -0.517 -13.314 1.00 0.00 C ATOM 617 CG GLU A 42 8.142 0.159 -13.388 1.00 0.00 C ATOM 618 CD GLU A 42 9.053 -0.514 -14.385 1.00 0.00 C ATOM 619 OE1 GLU A 42 9.567 -1.605 -14.076 1.00 0.00 O ATOM 620 OE2 GLU A 42 9.241 0.031 -15.494 1.00 0.00 O ATOM 0 H GLU A 42 7.668 -0.451 -11.077 1.00 0.00 H new ATOM 0 HA GLU A 42 5.647 0.996 -12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.930 -1.594 -13.236 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.248 -0.334 -14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.012 1.205 -13.664 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.609 0.145 -12.403 1.00 0.00 H new ATOM 627 N ASP A 43 4.786 -2.185 -12.033 1.00 0.00 N ATOM 628 CA ASP A 43 3.638 -3.082 -12.110 1.00 0.00 C ATOM 629 C ASP A 43 3.486 -3.914 -10.840 1.00 0.00 C ATOM 630 O ASP A 43 2.730 -4.890 -10.807 1.00 0.00 O ATOM 631 CB ASP A 43 3.781 -4.001 -13.328 1.00 0.00 C ATOM 632 CG ASP A 43 5.028 -4.863 -13.267 1.00 0.00 C ATOM 633 OD1 ASP A 43 6.127 -4.356 -13.587 1.00 0.00 O ATOM 634 OD2 ASP A 43 4.915 -6.055 -12.913 1.00 0.00 O ATOM 0 H ASP A 43 5.683 -2.656 -11.917 1.00 0.00 H new ATOM 0 HA ASP A 43 2.740 -2.472 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.903 -4.643 -13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.807 -3.396 -14.234 1.00 0.00 H new ATOM 639 N GLU A 44 4.180 -3.516 -9.786 1.00 0.00 N ATOM 640 CA GLU A 44 4.131 -4.246 -8.525 1.00 0.00 C ATOM 641 C GLU A 44 4.210 -3.292 -7.337 1.00 0.00 C ATOM 642 O GLU A 44 4.824 -2.228 -7.420 1.00 0.00 O ATOM 643 CB GLU A 44 5.273 -5.264 -8.459 1.00 0.00 C ATOM 644 CG GLU A 44 6.648 -4.641 -8.617 1.00 0.00 C ATOM 645 CD GLU A 44 7.771 -5.659 -8.602 1.00 0.00 C ATOM 646 OE1 GLU A 44 7.938 -6.384 -9.607 1.00 0.00 O ATOM 647 OE2 GLU A 44 8.502 -5.728 -7.593 1.00 0.00 O ATOM 0 H GLU A 44 4.783 -2.694 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 44 3.179 -4.774 -8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.228 -5.788 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.129 -6.011 -9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.682 -4.086 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.808 -3.921 -7.814 1.00 0.00 H new ATOM 654 N VAL A 45 3.566 -3.671 -6.246 1.00 0.00 N ATOM 655 CA VAL A 45 3.627 -2.911 -5.007 1.00 0.00 C ATOM 656 C VAL A 45 4.425 -3.691 -3.970 1.00 0.00 C ATOM 657 O VAL A 45 4.057 -4.809 -3.605 1.00 0.00 O ATOM 658 CB VAL A 45 2.220 -2.612 -4.441 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.314 -1.851 -3.125 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.382 -1.836 -5.448 1.00 0.00 C ATOM 0 H VAL A 45 2.988 -4.510 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 45 4.111 -1.960 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 45 1.727 -3.565 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.311 -1.653 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.864 -2.448 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.834 -0.907 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.397 -1.638 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.874 -0.891 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.275 -2.422 -6.361 1.00 0.00 H new ATOM 670 N VAL A 46 5.516 -3.110 -3.506 1.00 0.00 N ATOM 671 CA VAL A 46 6.357 -3.768 -2.526 1.00 0.00 C ATOM 672 C VAL A 46 6.081 -3.217 -1.133 1.00 0.00 C ATOM 673 O VAL A 46 6.180 -2.010 -0.896 1.00 0.00 O ATOM 674 CB VAL A 46 7.856 -3.596 -2.855 1.00 0.00 C ATOM 675 CG1 VAL A 46 8.717 -4.355 -1.854 1.00 0.00 C ATOM 676 CG2 VAL A 46 8.152 -4.061 -4.275 1.00 0.00 C ATOM 0 H VAL A 46 5.839 -2.186 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 46 6.117 -4.831 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 46 8.100 -2.536 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.769 -4.221 -2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.531 -3.973 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.468 -5.416 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.213 -3.931 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.888 -5.114 -4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.567 -3.471 -4.980 1.00 0.00 H new ATOM 686 N GLU A 47 5.726 -4.105 -0.221 1.00 0.00 N ATOM 687 CA GLU A 47 5.508 -3.721 1.159 1.00 0.00 C ATOM 688 C GLU A 47 6.710 -4.064 2.006 1.00 0.00 C ATOM 689 O GLU A 47 7.309 -5.132 1.867 1.00 0.00 O ATOM 690 CB GLU A 47 4.264 -4.383 1.737 1.00 0.00 C ATOM 691 CG GLU A 47 3.013 -3.549 1.576 1.00 0.00 C ATOM 692 CD GLU A 47 1.763 -4.295 1.993 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.507 -4.402 3.214 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.031 -4.786 1.111 1.00 0.00 O ATOM 0 H GLU A 47 5.583 -5.097 -0.413 1.00 0.00 H new ATOM 0 HA GLU A 47 5.357 -2.642 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.115 -5.347 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.426 -4.582 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.106 -2.641 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.918 -3.239 0.535 1.00 0.00 H new ATOM 701 N THR A 48 7.058 -3.140 2.864 1.00 0.00 N ATOM 702 CA THR A 48 8.168 -3.317 3.777 1.00 0.00 C ATOM 703 C THR A 48 7.718 -3.023 5.202 1.00 0.00 C ATOM 704 O THR A 48 7.224 -1.934 5.492 1.00 0.00 O ATOM 705 CB THR A 48 9.351 -2.400 3.409 1.00 0.00 C ATOM 706 OG1 THR A 48 9.059 -1.678 2.203 1.00 0.00 O ATOM 707 CG2 THR A 48 10.624 -3.208 3.220 1.00 0.00 C ATOM 0 H THR A 48 6.583 -2.242 2.953 1.00 0.00 H new ATOM 0 HA THR A 48 8.503 -4.352 3.702 1.00 0.00 H new ATOM 0 HB THR A 48 9.501 -1.696 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.306 -1.070 2.360 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.445 -2.539 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.862 -3.733 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.480 -3.932 2.418 1.00 0.00 H new ATOM 715 N GLU A 49 7.873 -3.992 6.083 1.00 0.00 N ATOM 716 CA GLU A 49 7.478 -3.815 7.470 1.00 0.00 C ATOM 717 C GLU A 49 8.698 -3.493 8.313 1.00 0.00 C ATOM 718 O GLU A 49 9.753 -4.106 8.144 1.00 0.00 O ATOM 719 CB GLU A 49 6.790 -5.071 8.011 1.00 0.00 C ATOM 720 CG GLU A 49 5.599 -5.527 7.184 1.00 0.00 C ATOM 721 CD GLU A 49 4.815 -6.641 7.848 1.00 0.00 C ATOM 722 OE1 GLU A 49 5.425 -7.662 8.231 1.00 0.00 O ATOM 723 OE2 GLU A 49 3.584 -6.497 8.003 1.00 0.00 O ATOM 0 H GLU A 49 8.268 -4.907 5.866 1.00 0.00 H new ATOM 0 HA GLU A 49 6.769 -2.989 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.518 -5.881 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.459 -4.881 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.938 -4.678 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.948 -5.866 6.209 1.00 0.00 H new ATOM 730 N VAL A 50 8.569 -2.520 9.198 1.00 0.00 N ATOM 731 CA VAL A 50 9.669 -2.164 10.075 1.00 0.00 C ATOM 732 C VAL A 50 9.610 -3.009 11.339 1.00 0.00 C ATOM 733 O VAL A 50 8.704 -2.858 12.163 1.00 0.00 O ATOM 734 CB VAL A 50 9.634 -0.665 10.447 1.00 0.00 C ATOM 735 CG1 VAL A 50 10.830 -0.293 11.310 1.00 0.00 C ATOM 736 CG2 VAL A 50 9.593 0.196 9.192 1.00 0.00 C ATOM 0 H VAL A 50 7.722 -1.967 9.328 1.00 0.00 H new ATOM 0 HA VAL A 50 10.601 -2.357 9.544 1.00 0.00 H new ATOM 0 HB VAL A 50 8.728 -0.479 11.024 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.783 0.767 11.559 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.814 -0.882 12.227 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.751 -0.497 10.763 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.569 1.249 9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.480 0.002 8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.701 -0.046 8.614 1.00 0.00 H new ATOM 746 N MET A 51 10.586 -3.888 11.489 1.00 0.00 N ATOM 747 CA MET A 51 10.619 -4.804 12.610 1.00 0.00 C ATOM 748 C MET A 51 11.745 -4.455 13.566 1.00 0.00 C ATOM 749 O MET A 51 12.907 -4.377 13.169 1.00 0.00 O ATOM 750 CB MET A 51 10.779 -6.237 12.109 1.00 0.00 C ATOM 751 CG MET A 51 9.484 -6.845 11.601 1.00 0.00 C ATOM 752 SD MET A 51 8.278 -7.091 12.920 1.00 0.00 S ATOM 753 CE MET A 51 9.090 -8.362 13.883 1.00 0.00 C ATOM 0 H MET A 51 11.369 -3.985 10.843 1.00 0.00 H new ATOM 0 HA MET A 51 9.676 -4.717 13.151 1.00 0.00 H new ATOM 0 HB2 MET A 51 11.519 -6.254 11.308 1.00 0.00 H new ATOM 0 HB3 MET A 51 11.170 -6.855 12.917 1.00 0.00 H new ATOM 0 HG2 MET A 51 9.056 -6.196 10.837 1.00 0.00 H new ATOM 0 HG3 MET A 51 9.697 -7.802 11.124 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.355 -8.871 14.506 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.559 -9.082 13.213 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.851 -7.907 14.517 1.00 0.00 H new ATOM 763 N GLU A 52 11.382 -4.261 14.825 1.00 0.00 N ATOM 764 CA GLU A 52 12.328 -3.880 15.865 1.00 0.00 C ATOM 765 C GLU A 52 13.403 -4.954 16.048 1.00 0.00 C ATOM 766 O GLU A 52 13.107 -6.081 16.449 1.00 0.00 O ATOM 767 CB GLU A 52 11.566 -3.644 17.174 1.00 0.00 C ATOM 768 CG GLU A 52 12.429 -3.160 18.325 1.00 0.00 C ATOM 769 CD GLU A 52 11.612 -2.848 19.561 1.00 0.00 C ATOM 770 OE1 GLU A 52 11.226 -3.793 20.279 1.00 0.00 O ATOM 771 OE2 GLU A 52 11.346 -1.657 19.822 1.00 0.00 O ATOM 0 H GLU A 52 10.422 -4.363 15.155 1.00 0.00 H new ATOM 0 HA GLU A 52 12.833 -2.960 15.570 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.778 -2.913 16.994 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.078 -4.573 17.468 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.172 -3.921 18.565 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.975 -2.268 18.018 1.00 0.00 H new ATOM 778 N GLY A 53 14.642 -4.601 15.717 1.00 0.00 N ATOM 779 CA GLY A 53 15.754 -5.525 15.864 1.00 0.00 C ATOM 780 C GLY A 53 16.157 -6.158 14.547 1.00 0.00 C ATOM 781 O GLY A 53 17.314 -6.539 14.352 1.00 0.00 O ATOM 0 H GLY A 53 14.897 -3.685 15.347 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.609 -4.997 16.287 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.481 -6.308 16.572 1.00 0.00 H new ATOM 785 N ARG A 54 15.204 -6.254 13.636 1.00 0.00 N ATOM 786 CA ARG A 54 15.428 -6.890 12.345 1.00 0.00 C ATOM 787 C ARG A 54 15.756 -5.839 11.305 1.00 0.00 C ATOM 788 O ARG A 54 16.776 -5.905 10.622 1.00 0.00 O ATOM 789 CB ARG A 54 14.170 -7.631 11.907 1.00 0.00 C ATOM 790 CG ARG A 54 13.529 -8.446 13.008 1.00 0.00 C ATOM 791 CD ARG A 54 14.115 -9.845 13.103 1.00 0.00 C ATOM 792 NE ARG A 54 13.601 -10.563 14.268 1.00 0.00 N ATOM 793 CZ ARG A 54 12.536 -11.367 14.243 1.00 0.00 C ATOM 794 NH1 ARG A 54 11.884 -11.585 13.106 1.00 0.00 N ATOM 795 NH2 ARG A 54 12.133 -11.969 15.353 1.00 0.00 N ATOM 0 H ARG A 54 14.258 -5.896 13.767 1.00 0.00 H new ATOM 0 HA ARG A 54 16.257 -7.591 12.440 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.445 -6.908 11.533 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.419 -8.291 11.076 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.661 -7.933 13.961 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.456 -8.515 12.829 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.878 -10.402 12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.202 -9.782 13.163 1.00 0.00 H new ATOM 0 HE ARG A 54 14.087 -10.442 15.156 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.197 -11.137 12.245 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.071 -12.201 13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.637 -11.818 16.227 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.319 -12.583 15.333 1.00 0.00 H new ATOM 809 N GLY A 55 14.858 -4.877 11.197 1.00 0.00 N ATOM 810 CA GLY A 55 14.987 -3.833 10.207 1.00 0.00 C ATOM 811 C GLY A 55 13.808 -3.852 9.261 1.00 0.00 C ATOM 812 O GLY A 55 12.738 -4.343 9.623 1.00 0.00 O ATOM 0 H GLY A 55 14.030 -4.800 11.787 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.050 -2.863 10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.912 -3.967 9.647 1.00 0.00 H new ATOM 816 N GLU A 56 13.985 -3.314 8.063 1.00 0.00 N ATOM 817 CA GLU A 56 12.958 -3.391 7.048 1.00 0.00 C ATOM 818 C GLU A 56 12.848 -4.805 6.507 1.00 0.00 C ATOM 819 O GLU A 56 13.837 -5.408 6.087 1.00 0.00 O ATOM 820 CB GLU A 56 13.252 -2.419 5.910 1.00 0.00 C ATOM 821 CG GLU A 56 13.425 -0.983 6.365 1.00 0.00 C ATOM 822 CD GLU A 56 14.867 -0.621 6.659 1.00 0.00 C ATOM 823 OE1 GLU A 56 15.318 -0.835 7.802 1.00 0.00 O ATOM 824 OE2 GLU A 56 15.559 -0.126 5.743 1.00 0.00 O ATOM 0 H GLU A 56 14.831 -2.821 7.775 1.00 0.00 H new ATOM 0 HA GLU A 56 12.008 -3.115 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.158 -2.739 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.440 -2.466 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.039 -0.315 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.825 -0.817 7.260 1.00 0.00 H new ATOM 831 N VAL A 57 11.640 -5.324 6.539 1.00 0.00 N ATOM 832 CA VAL A 57 11.361 -6.665 6.059 1.00 0.00 C ATOM 833 C VAL A 57 10.465 -6.606 4.828 1.00 0.00 C ATOM 834 O VAL A 57 9.372 -6.037 4.876 1.00 0.00 O ATOM 835 CB VAL A 57 10.682 -7.505 7.159 1.00 0.00 C ATOM 836 CG1 VAL A 57 10.234 -8.857 6.623 1.00 0.00 C ATOM 837 CG2 VAL A 57 11.613 -7.685 8.347 1.00 0.00 C ATOM 0 H VAL A 57 10.822 -4.831 6.898 1.00 0.00 H new ATOM 0 HA VAL A 57 12.306 -7.137 5.792 1.00 0.00 H new ATOM 0 HB VAL A 57 9.795 -6.965 7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.759 -9.426 7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.522 -8.709 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.099 -9.406 6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.115 -8.280 9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.521 -8.195 8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.872 -6.709 8.758 1.00 0.00 H new ATOM 847 N GLN A 58 10.932 -7.179 3.728 1.00 0.00 N ATOM 848 CA GLN A 58 10.204 -7.150 2.480 1.00 0.00 C ATOM 849 C GLN A 58 9.129 -8.229 2.434 1.00 0.00 C ATOM 850 O GLN A 58 9.397 -9.406 2.686 1.00 0.00 O ATOM 851 CB GLN A 58 11.169 -7.347 1.318 1.00 0.00 C ATOM 852 CG GLN A 58 12.284 -6.319 1.266 1.00 0.00 C ATOM 853 CD GLN A 58 13.211 -6.523 0.081 1.00 0.00 C ATOM 854 OE1 GLN A 58 13.781 -5.567 -0.445 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.373 -7.768 -0.346 1.00 0.00 N ATOM 0 H GLN A 58 11.823 -7.674 3.681 1.00 0.00 H new ATOM 0 HA GLN A 58 9.715 -6.179 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.608 -8.342 1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.610 -7.310 0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.850 -5.320 1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.863 -6.369 2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.883 -8.534 0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.988 -7.960 -1.137 1.00 0.00 H new ATOM 864 N LEU A 59 7.917 -7.816 2.110 1.00 0.00 N ATOM 865 CA LEU A 59 6.813 -8.737 1.898 1.00 0.00 C ATOM 866 C LEU A 59 6.711 -9.076 0.415 1.00 0.00 C ATOM 867 O LEU A 59 7.326 -8.399 -0.413 1.00 0.00 O ATOM 868 CB LEU A 59 5.507 -8.112 2.394 1.00 0.00 C ATOM 869 CG LEU A 59 5.403 -7.948 3.907 1.00 0.00 C ATOM 870 CD1 LEU A 59 4.129 -7.205 4.268 1.00 0.00 C ATOM 871 CD2 LEU A 59 5.444 -9.305 4.597 1.00 0.00 C ATOM 0 H LEU A 59 7.670 -6.834 1.986 1.00 0.00 H new ATOM 0 HA LEU A 59 6.993 -9.654 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.391 -7.133 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.675 -8.728 2.053 1.00 0.00 H new ATOM 0 HG LEU A 59 6.256 -7.364 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.067 -7.094 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.138 -6.219 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.266 -7.767 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.369 -9.167 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.610 -9.915 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.383 -9.805 4.360 1.00 0.00 H new ATOM 883 N PRO A 60 5.957 -10.127 0.053 1.00 0.00 N ATOM 884 CA PRO A 60 5.766 -10.508 -1.350 1.00 0.00 C ATOM 885 C PRO A 60 5.154 -9.368 -2.159 1.00 0.00 C ATOM 886 O PRO A 60 4.140 -8.791 -1.761 1.00 0.00 O ATOM 887 CB PRO A 60 4.810 -11.708 -1.285 1.00 0.00 C ATOM 888 CG PRO A 60 4.222 -11.685 0.086 1.00 0.00 C ATOM 889 CD PRO A 60 5.233 -11.017 0.972 1.00 0.00 C ATOM 0 HA PRO A 60 6.708 -10.746 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.033 -11.630 -2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.342 -12.642 -1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.278 -11.140 0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.009 -12.696 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.755 -10.460 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.900 -11.742 1.438 1.00 0.00 H new ATOM 897 N PHE A 61 5.778 -9.027 -3.283 1.00 0.00 N ATOM 898 CA PHE A 61 5.323 -7.902 -4.089 1.00 0.00 C ATOM 899 C PHE A 61 3.957 -8.182 -4.707 1.00 0.00 C ATOM 900 O PHE A 61 3.753 -9.177 -5.408 1.00 0.00 O ATOM 901 CB PHE A 61 6.358 -7.515 -5.156 1.00 0.00 C ATOM 902 CG PHE A 61 6.937 -8.666 -5.933 1.00 0.00 C ATOM 903 CD1 PHE A 61 6.276 -9.182 -7.033 1.00 0.00 C ATOM 904 CD2 PHE A 61 8.156 -9.220 -5.568 1.00 0.00 C ATOM 905 CE1 PHE A 61 6.813 -10.228 -7.755 1.00 0.00 C ATOM 906 CE2 PHE A 61 8.697 -10.269 -6.287 1.00 0.00 C ATOM 907 CZ PHE A 61 8.025 -10.772 -7.381 1.00 0.00 C ATOM 0 H PHE A 61 6.596 -9.511 -3.654 1.00 0.00 H new ATOM 0 HA PHE A 61 5.213 -7.045 -3.424 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.892 -6.822 -5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.173 -6.978 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.327 -8.761 -7.331 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.687 -8.827 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.286 -10.621 -8.612 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.645 -10.694 -5.992 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.447 -11.591 -7.945 1.00 0.00 H new ATOM 917 N MET A 62 3.021 -7.301 -4.408 1.00 0.00 N ATOM 918 CA MET A 62 1.667 -7.422 -4.848 1.00 0.00 C ATOM 919 C MET A 62 1.525 -6.944 -6.287 1.00 0.00 C ATOM 920 O MET A 62 1.959 -5.844 -6.626 1.00 0.00 O ATOM 921 CB MET A 62 0.800 -6.584 -3.922 1.00 0.00 C ATOM 922 CG MET A 62 -0.661 -6.724 -4.203 1.00 0.00 C ATOM 923 SD MET A 62 -1.682 -5.658 -3.166 1.00 0.00 S ATOM 924 CE MET A 62 -1.120 -6.129 -1.531 1.00 0.00 C ATOM 0 H MET A 62 3.196 -6.471 -3.842 1.00 0.00 H new ATOM 0 HA MET A 62 1.355 -8.466 -4.817 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.995 -6.874 -2.890 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.084 -5.536 -4.018 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.848 -6.490 -5.251 1.00 0.00 H new ATOM 0 HG3 MET A 62 -0.957 -7.762 -4.051 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.930 -5.991 -0.814 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.816 -7.176 -1.538 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.272 -5.507 -1.245 1.00 0.00 H new ATOM 934 N ALA A 63 0.936 -7.776 -7.130 1.00 0.00 N ATOM 935 CA ALA A 63 0.676 -7.393 -8.512 1.00 0.00 C ATOM 936 C ALA A 63 -0.499 -6.432 -8.570 1.00 0.00 C ATOM 937 O ALA A 63 -1.509 -6.645 -7.898 1.00 0.00 O ATOM 938 CB ALA A 63 0.394 -8.620 -9.368 1.00 0.00 C ATOM 0 H ALA A 63 0.629 -8.717 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 63 1.563 -6.897 -8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.203 -8.311 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.256 -9.286 -9.344 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.479 -9.143 -8.978 1.00 0.00 H new ATOM 944 N TYR A 64 -0.371 -5.371 -9.356 1.00 0.00 N ATOM 945 CA TYR A 64 -1.442 -4.399 -9.489 1.00 0.00 C ATOM 946 C TYR A 64 -1.452 -3.817 -10.894 1.00 0.00 C ATOM 947 O TYR A 64 -0.443 -3.859 -11.598 1.00 0.00 O ATOM 948 CB TYR A 64 -1.295 -3.275 -8.453 1.00 0.00 C ATOM 949 CG TYR A 64 -0.383 -2.147 -8.880 1.00 0.00 C ATOM 950 CD1 TYR A 64 0.998 -2.279 -8.836 1.00 0.00 C ATOM 951 CD2 TYR A 64 -0.912 -0.942 -9.327 1.00 0.00 C ATOM 952 CE1 TYR A 64 1.827 -1.244 -9.229 1.00 0.00 C ATOM 953 CE2 TYR A 64 -0.091 0.094 -9.722 1.00 0.00 C ATOM 954 CZ TYR A 64 1.277 -0.061 -9.671 1.00 0.00 C ATOM 955 OH TYR A 64 2.095 0.969 -10.068 1.00 0.00 O ATOM 0 H TYR A 64 0.461 -5.164 -9.908 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.388 -4.909 -9.308 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.282 -2.866 -8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.916 -3.701 -7.524 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.432 -3.205 -8.489 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.984 -0.815 -9.366 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.900 -1.363 -9.190 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.519 1.023 -10.070 1.00 0.00 H new ATOM 0 HH TYR A 64 2.671 0.666 -10.800 1.00 0.00 H new ATOM 965 N LYS A 65 -2.594 -3.290 -11.293 1.00 0.00 N ATOM 966 CA LYS A 65 -2.740 -2.637 -12.560 1.00 0.00 C ATOM 967 C LYS A 65 -3.251 -1.219 -12.363 1.00 0.00 C ATOM 968 O LYS A 65 -4.147 -0.974 -11.556 1.00 0.00 O ATOM 969 CB LYS A 65 -3.708 -3.428 -13.428 1.00 0.00 C ATOM 970 CG LYS A 65 -3.936 -2.768 -14.752 1.00 0.00 C ATOM 971 CD LYS A 65 -4.772 -3.621 -15.688 1.00 0.00 C ATOM 972 CE LYS A 65 -4.896 -2.987 -17.063 1.00 0.00 C ATOM 973 NZ LYS A 65 -5.553 -1.653 -17.015 1.00 0.00 N ATOM 0 H LYS A 65 -3.448 -3.308 -10.735 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.770 -2.589 -13.054 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.316 -4.433 -13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.659 -3.535 -12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.433 -1.810 -14.597 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.974 -2.556 -15.220 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.321 -4.609 -15.782 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.765 -3.764 -15.262 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.904 -2.885 -17.504 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.468 -3.648 -17.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.737 -1.322 -17.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.452 -1.727 -16.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.930 -0.976 -16.530 1.00 0.00 H new ATOM 987 N VAL A 66 -2.667 -0.291 -13.089 1.00 0.00 N ATOM 988 CA VAL A 66 -3.114 1.087 -13.061 1.00 0.00 C ATOM 989 C VAL A 66 -4.404 1.230 -13.861 1.00 0.00 C ATOM 990 O VAL A 66 -4.451 0.873 -15.039 1.00 0.00 O ATOM 991 CB VAL A 66 -2.036 2.024 -13.638 1.00 0.00 C ATOM 992 CG1 VAL A 66 -2.542 3.459 -13.743 1.00 0.00 C ATOM 993 CG2 VAL A 66 -0.769 1.958 -12.798 1.00 0.00 C ATOM 0 H VAL A 66 -1.877 -0.466 -13.710 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.297 1.368 -12.024 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.802 1.684 -14.647 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.756 4.093 -14.154 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.413 3.491 -14.398 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.819 3.820 -12.753 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.018 2.626 -13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.994 2.263 -11.776 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.387 0.937 -12.796 1.00 0.00 H new ATOM 1003 N ILE A 67 -5.445 1.726 -13.215 1.00 0.00 N ATOM 1004 CA ILE A 67 -6.706 1.980 -13.895 1.00 0.00 C ATOM 1005 C ILE A 67 -6.636 3.338 -14.569 1.00 0.00 C ATOM 1006 O ILE A 67 -6.848 3.467 -15.777 1.00 0.00 O ATOM 1007 CB ILE A 67 -7.906 1.984 -12.924 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -7.874 0.760 -12.009 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -9.219 2.040 -13.695 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.003 0.733 -10.997 1.00 0.00 C ATOM 0 H ILE A 67 -5.444 1.961 -12.222 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.856 1.178 -14.618 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.832 2.875 -12.301 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.922 -0.142 -12.619 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.921 0.736 -11.480 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.053 2.042 -12.993 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.249 2.948 -14.297 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.295 1.170 -14.347 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.918 -0.162 -10.381 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.944 1.617 -10.362 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.960 0.725 -11.519 1.00 0.00 H new ATOM 1022 N SER A 68 -6.312 4.342 -13.772 1.00 0.00 N ATOM 1023 CA SER A 68 -6.242 5.710 -14.251 1.00 0.00 C ATOM 1024 C SER A 68 -5.065 6.438 -13.626 1.00 0.00 C ATOM 1025 O SER A 68 -4.584 6.072 -12.552 1.00 0.00 O ATOM 1026 CB SER A 68 -7.530 6.455 -13.919 1.00 0.00 C ATOM 1027 OG SER A 68 -8.669 5.669 -14.237 1.00 0.00 O ATOM 0 H SER A 68 -6.092 4.232 -12.782 1.00 0.00 H new ATOM 0 HA SER A 68 -6.109 5.681 -15.332 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.544 6.710 -12.859 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.565 7.393 -14.473 1.00 0.00 H new ATOM 0 HG SER A 68 -9.483 6.167 -14.014 1.00 0.00 H new ATOM 1033 N GLN A 69 -4.616 7.468 -14.308 1.00 0.00 N ATOM 1034 CA GLN A 69 -3.533 8.304 -13.829 1.00 0.00 C ATOM 1035 C GLN A 69 -3.738 9.717 -14.329 1.00 0.00 C ATOM 1036 O GLN A 69 -3.908 9.946 -15.526 1.00 0.00 O ATOM 1037 CB GLN A 69 -2.175 7.776 -14.282 1.00 0.00 C ATOM 1038 CG GLN A 69 -1.002 8.602 -13.775 1.00 0.00 C ATOM 1039 CD GLN A 69 0.345 8.085 -14.248 1.00 0.00 C ATOM 1040 OE1 GLN A 69 1.289 8.857 -14.429 1.00 0.00 O ATOM 1041 NE2 GLN A 69 0.450 6.781 -14.449 1.00 0.00 N ATOM 0 H GLN A 69 -4.991 7.752 -15.213 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.541 8.291 -12.739 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.061 6.748 -13.938 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.148 7.752 -15.371 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.124 9.634 -14.105 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.017 8.612 -12.685 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.354 6.174 -14.288 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.335 6.383 -14.765 1.00 0.00 H new ATOM 1050 N SER A 70 -3.731 10.655 -13.413 1.00 0.00 N ATOM 1051 CA SER A 70 -3.973 12.044 -13.745 1.00 0.00 C ATOM 1052 C SER A 70 -3.478 12.942 -12.623 1.00 0.00 C ATOM 1053 O SER A 70 -3.365 12.511 -11.473 1.00 0.00 O ATOM 1054 CB SER A 70 -5.470 12.269 -13.978 1.00 0.00 C ATOM 1055 OG SER A 70 -5.741 13.598 -14.392 1.00 0.00 O ATOM 0 H SER A 70 -3.559 10.482 -12.423 1.00 0.00 H new ATOM 0 HA SER A 70 -3.431 12.292 -14.657 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.830 11.571 -14.734 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.018 12.055 -13.060 1.00 0.00 H new ATOM 0 HG SER A 70 -6.616 13.631 -14.832 1.00 0.00 H new ATOM 1061 N THR A 71 -3.182 14.185 -12.960 1.00 0.00 N ATOM 1062 CA THR A 71 -2.754 15.160 -11.977 1.00 0.00 C ATOM 1063 C THR A 71 -3.969 15.759 -11.267 1.00 0.00 C ATOM 1064 O THR A 71 -3.886 16.188 -10.115 1.00 0.00 O ATOM 1065 CB THR A 71 -1.932 16.275 -12.645 1.00 0.00 C ATOM 1066 OG1 THR A 71 -0.960 15.694 -13.527 1.00 0.00 O ATOM 1067 CG2 THR A 71 -1.220 17.131 -11.609 1.00 0.00 C ATOM 0 H THR A 71 -3.231 14.543 -13.914 1.00 0.00 H new ATOM 0 HA THR A 71 -2.125 14.657 -11.242 1.00 0.00 H new ATOM 0 HB THR A 71 -2.617 16.910 -13.207 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.438 16.406 -13.953 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.647 17.910 -12.112 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.956 17.590 -10.949 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.546 16.507 -11.022 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.103 15.765 -11.959 1.00 0.00 N ATOM 1076 CA ASP A 72 -6.338 16.311 -11.403 1.00 0.00 C ATOM 1077 C ASP A 72 -7.415 15.238 -11.312 1.00 0.00 C ATOM 1078 O ASP A 72 -8.275 15.277 -10.429 1.00 0.00 O ATOM 1079 CB ASP A 72 -6.829 17.500 -12.234 1.00 0.00 C ATOM 1080 CG ASP A 72 -5.951 18.724 -12.057 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.962 18.867 -12.801 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -6.240 19.544 -11.156 1.00 0.00 O ATOM 0 H ASP A 72 -5.194 15.398 -12.906 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.125 16.664 -10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.852 17.220 -13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.852 17.744 -11.947 1.00 0.00 H new ATOM 1087 N GLY A 73 -7.359 14.273 -12.220 1.00 0.00 N ATOM 1088 CA GLY A 73 -8.252 13.129 -12.149 1.00 0.00 C ATOM 1089 C GLY A 73 -7.729 12.077 -11.191 1.00 0.00 C ATOM 1090 O GLY A 73 -8.339 11.022 -11.020 1.00 0.00 O ATOM 0 H GLY A 73 -6.710 14.260 -13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.241 13.457 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.368 12.694 -13.142 1.00 0.00 H new ATOM 1094 N SER A 74 -6.579 12.388 -10.585 1.00 0.00 N ATOM 1095 CA SER A 74 -5.920 11.572 -9.584 1.00 0.00 C ATOM 1096 C SER A 74 -5.533 10.198 -10.123 1.00 0.00 C ATOM 1097 O SER A 74 -5.728 9.895 -11.301 1.00 0.00 O ATOM 1098 CB SER A 74 -6.772 11.467 -8.319 1.00 0.00 C ATOM 1099 OG SER A 74 -7.953 10.708 -8.522 1.00 0.00 O ATOM 0 H SER A 74 -6.070 13.248 -10.792 1.00 0.00 H new ATOM 0 HA SER A 74 -4.988 12.071 -9.318 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.182 11.010 -7.524 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.041 12.468 -7.981 1.00 0.00 H new ATOM 0 HG SER A 74 -7.997 10.414 -9.456 1.00 0.00 H new ATOM 1105 N ILE A 75 -4.954 9.381 -9.265 1.00 0.00 N ATOM 1106 CA ILE A 75 -4.494 8.068 -9.671 1.00 0.00 C ATOM 1107 C ILE A 75 -5.396 6.993 -9.085 1.00 0.00 C ATOM 1108 O ILE A 75 -5.692 6.999 -7.889 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.037 7.808 -9.225 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.149 9.021 -9.536 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -2.489 6.553 -9.897 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -0.686 8.798 -9.220 1.00 0.00 C ATOM 0 H ILE A 75 -4.791 9.603 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.531 8.033 -10.760 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.031 7.651 -8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.250 9.273 -10.592 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.508 9.879 -8.968 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.462 6.385 -9.572 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.102 5.695 -9.621 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.510 6.681 -10.979 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.120 9.697 -9.465 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.573 8.576 -8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.310 7.961 -9.808 1.00 0.00 H new ATOM 1124 N GLU A 76 -5.837 6.080 -9.929 1.00 0.00 N ATOM 1125 CA GLU A 76 -6.691 4.994 -9.494 1.00 0.00 C ATOM 1126 C GLU A 76 -6.073 3.677 -9.930 1.00 0.00 C ATOM 1127 O GLU A 76 -5.718 3.514 -11.097 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.091 5.152 -10.089 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.170 4.407 -9.321 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.548 4.573 -9.932 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -10.995 5.726 -10.108 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.201 3.551 -10.214 1.00 0.00 O ATOM 0 H GLU A 76 -5.616 6.070 -10.925 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.781 5.010 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.345 6.211 -10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.080 4.797 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.918 3.347 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.189 4.764 -8.291 1.00 0.00 H new ATOM 1139 N ILE A 77 -5.924 2.748 -9.004 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.268 1.485 -9.304 1.00 0.00 C ATOM 1141 C ILE A 77 -6.094 0.306 -8.813 1.00 0.00 C ATOM 1142 O ILE A 77 -6.905 0.438 -7.895 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.853 1.413 -8.684 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -3.913 1.659 -7.174 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -2.926 2.414 -9.360 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.571 1.546 -6.484 1.00 0.00 C ATOM 0 H ILE A 77 -6.246 2.842 -8.041 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.176 1.431 -10.389 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.453 0.412 -8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.322 2.653 -6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.603 0.944 -6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.934 2.351 -8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.859 2.187 -10.424 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.320 3.422 -9.228 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.694 1.733 -5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.169 0.544 -6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.883 2.279 -6.904 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.881 -0.841 -9.433 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.565 -2.063 -9.057 1.00 0.00 C ATOM 1160 C GLN A 78 -5.535 -3.132 -8.729 1.00 0.00 C ATOM 1161 O GLN A 78 -4.464 -3.173 -9.334 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.478 -2.546 -10.193 1.00 0.00 C ATOM 1163 CG GLN A 78 -8.223 -3.830 -9.863 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.168 -3.663 -8.695 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -8.754 -3.766 -7.546 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -10.452 -3.475 -8.973 1.00 0.00 N ATOM 0 H GLN A 78 -5.230 -0.950 -10.210 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.185 -1.868 -8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.201 -1.764 -10.425 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.878 -2.702 -11.090 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.785 -4.156 -10.738 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.503 -4.616 -9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.757 -3.394 -9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.134 -3.411 -8.217 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.852 -3.991 -7.780 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.918 -5.018 -7.357 1.00 0.00 C ATOM 1177 C TYR A 79 -5.243 -6.339 -8.033 1.00 0.00 C ATOM 1178 O TYR A 79 -6.394 -6.602 -8.387 1.00 0.00 O ATOM 1179 CB TYR A 79 -4.928 -5.177 -5.835 1.00 0.00 C ATOM 1180 CG TYR A 79 -4.415 -3.962 -5.093 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -3.146 -3.452 -5.346 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -5.193 -3.332 -4.132 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -2.670 -2.349 -4.664 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -4.726 -2.228 -3.446 1.00 0.00 C ATOM 1185 CZ TYR A 79 -3.463 -1.741 -3.715 1.00 0.00 C ATOM 1186 OH TYR A 79 -2.994 -0.640 -3.033 1.00 0.00 O ATOM 0 H TYR A 79 -6.746 -3.999 -7.288 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.916 -4.710 -7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.946 -5.389 -5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.320 -6.040 -5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.522 -3.927 -6.089 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.181 -3.712 -3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.682 -1.965 -4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.346 -1.748 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.676 -0.332 -2.401 1.00 0.00 H new ATOM 1196 N LEU A 80 -4.220 -7.151 -8.230 1.00 0.00 N ATOM 1197 CA LEU A 80 -4.382 -8.453 -8.853 1.00 0.00 C ATOM 1198 C LEU A 80 -4.070 -9.543 -7.836 1.00 0.00 C ATOM 1199 O LEU A 80 -3.477 -9.270 -6.790 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.452 -8.578 -10.064 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.518 -7.420 -11.066 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.470 -7.599 -12.151 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -4.908 -7.310 -11.680 1.00 0.00 C ATOM 0 H LEU A 80 -3.260 -6.929 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.411 -8.564 -9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.427 -8.668 -9.705 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.689 -9.504 -10.588 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.311 -6.494 -10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.529 -6.769 -12.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.478 -7.621 -11.699 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.649 -8.536 -12.679 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.929 -6.481 -12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.150 -8.237 -12.200 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.641 -7.133 -10.893 1.00 0.00 H new ATOM 1215 N GLY A 81 -4.465 -10.773 -8.129 1.00 0.00 N ATOM 1216 CA GLY A 81 -4.208 -11.848 -7.198 1.00 0.00 C ATOM 1217 C GLY A 81 -5.319 -11.977 -6.179 1.00 0.00 C ATOM 1218 O GLY A 81 -6.463 -11.650 -6.475 1.00 0.00 O ATOM 0 H GLY A 81 -4.952 -11.042 -8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.103 -12.786 -7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.262 -11.669 -6.686 1.00 0.00 H new ATOM 1222 N PRO A 82 -5.018 -12.463 -4.965 1.00 0.00 N ATOM 1223 CA PRO A 82 -6.012 -12.602 -3.889 1.00 0.00 C ATOM 1224 C PRO A 82 -6.583 -11.251 -3.434 1.00 0.00 C ATOM 1225 O PRO A 82 -7.526 -11.196 -2.643 1.00 0.00 O ATOM 1226 CB PRO A 82 -5.225 -13.256 -2.747 1.00 0.00 C ATOM 1227 CG PRO A 82 -3.994 -13.811 -3.381 1.00 0.00 C ATOM 1228 CD PRO A 82 -3.686 -12.916 -4.545 1.00 0.00 C ATOM 0 HA PRO A 82 -6.876 -13.181 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.975 -12.528 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.808 -14.042 -2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.165 -13.829 -2.673 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.154 -14.838 -3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.047 -12.082 -4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.170 -13.451 -5.342 1.00 0.00 H new ATOM 1236 N TYR A 83 -6.015 -10.170 -3.953 1.00 0.00 N ATOM 1237 CA TYR A 83 -6.420 -8.819 -3.577 1.00 0.00 C ATOM 1238 C TYR A 83 -7.237 -8.178 -4.700 1.00 0.00 C ATOM 1239 O TYR A 83 -7.492 -6.977 -4.687 1.00 0.00 O ATOM 1240 CB TYR A 83 -5.183 -7.958 -3.296 1.00 0.00 C ATOM 1241 CG TYR A 83 -4.149 -8.618 -2.411 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -3.147 -9.408 -2.957 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -4.166 -8.444 -1.032 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -2.192 -10.008 -2.158 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -3.215 -9.042 -0.225 1.00 0.00 C ATOM 1246 CZ TYR A 83 -2.230 -9.823 -0.794 1.00 0.00 C ATOM 1247 OH TYR A 83 -1.272 -10.414 -0.002 1.00 0.00 O ATOM 0 H TYR A 83 -5.264 -10.203 -4.643 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.032 -8.880 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.716 -7.694 -4.245 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.502 -7.027 -2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.113 -9.557 -4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.934 -7.832 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -1.420 -10.619 -2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.243 -8.898 0.845 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.437 -10.186 0.937 1.00 0.00 H new ATOM 1257 N TYR A 84 -7.658 -9.009 -5.653 1.00 0.00 N ATOM 1258 CA TYR A 84 -8.335 -8.560 -6.870 1.00 0.00 C ATOM 1259 C TYR A 84 -9.648 -7.816 -6.562 1.00 0.00 C ATOM 1260 O TYR A 84 -10.135 -7.875 -5.432 1.00 0.00 O ATOM 1261 CB TYR A 84 -8.525 -9.766 -7.815 1.00 0.00 C ATOM 1262 CG TYR A 84 -9.489 -10.835 -7.342 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -9.404 -11.383 -6.068 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -10.472 -11.317 -8.194 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -10.269 -12.377 -5.661 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -11.343 -12.307 -7.793 1.00 0.00 C ATOM 1267 CZ TYR A 84 -11.236 -12.834 -6.527 1.00 0.00 C ATOM 1268 OH TYR A 84 -12.090 -13.832 -6.126 1.00 0.00 O ATOM 0 H TYR A 84 -7.538 -10.021 -5.602 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.712 -7.825 -7.380 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.870 -9.395 -8.780 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.552 -10.229 -7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.648 -11.025 -5.385 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.556 -10.909 -9.190 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.188 -12.794 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.105 -12.667 -8.469 1.00 0.00 H new ATOM 0 HH TYR A 84 -12.714 -14.040 -6.852 1.00 0.00 H new ATOM 1278 N PRO A 85 -10.297 -7.250 -7.614 1.00 0.00 N ATOM 1279 CA PRO A 85 -11.120 -6.045 -7.641 1.00 0.00 C ATOM 1280 C PRO A 85 -11.278 -5.133 -6.400 1.00 0.00 C ATOM 1281 O PRO A 85 -11.983 -4.120 -6.492 1.00 0.00 O ATOM 1282 CB PRO A 85 -12.427 -6.596 -8.171 1.00 0.00 C ATOM 1283 CG PRO A 85 -11.990 -7.688 -9.119 1.00 0.00 C ATOM 1284 CD PRO A 85 -10.488 -7.850 -8.931 1.00 0.00 C ATOM 0 HA PRO A 85 -10.612 -5.285 -8.236 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.052 -6.987 -7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.008 -5.829 -8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.511 -8.621 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.225 -7.424 -10.150 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.181 -8.896 -8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.919 -7.334 -9.704 1.00 0.00 H new ATOM 1292 N LEU A 86 -10.670 -5.440 -5.274 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.606 -4.475 -4.187 1.00 0.00 C ATOM 1294 C LEU A 86 -9.515 -3.456 -4.520 1.00 0.00 C ATOM 1295 O LEU A 86 -8.327 -3.738 -4.381 1.00 0.00 O ATOM 1296 CB LEU A 86 -10.312 -5.175 -2.856 1.00 0.00 C ATOM 1297 CG LEU A 86 -10.318 -4.266 -1.627 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -11.679 -3.609 -1.447 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -9.942 -5.060 -0.388 1.00 0.00 C ATOM 0 H LEU A 86 -10.218 -6.335 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.566 -3.969 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.049 -5.964 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.338 -5.659 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.580 -3.478 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.659 -2.967 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.913 -3.011 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.440 -4.378 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.949 -4.403 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.661 -5.866 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.945 -5.482 -0.515 1.00 0.00 H new ATOM 1311 N LYS A 87 -9.927 -2.271 -4.960 1.00 0.00 N ATOM 1312 CA LYS A 87 -9.001 -1.331 -5.582 1.00 0.00 C ATOM 1313 C LYS A 87 -8.459 -0.301 -4.598 1.00 0.00 C ATOM 1314 O LYS A 87 -8.760 -0.336 -3.402 1.00 0.00 O ATOM 1315 CB LYS A 87 -9.679 -0.622 -6.757 1.00 0.00 C ATOM 1316 CG LYS A 87 -10.765 0.364 -6.355 1.00 0.00 C ATOM 1317 CD LYS A 87 -11.376 1.021 -7.580 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.323 2.151 -7.210 1.00 0.00 C ATOM 1319 NZ LYS A 87 -12.981 2.727 -8.412 1.00 0.00 N ATOM 0 H LYS A 87 -10.890 -1.940 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.152 -1.913 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.920 -0.093 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.113 -1.373 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.540 -0.152 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.346 1.127 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.581 1.409 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.915 0.273 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.082 1.780 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.772 2.932 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.443 3.624 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.268 2.901 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.694 2.060 -8.771 1.00 0.00 H new ATOM 1333 N SER A 88 -7.663 0.619 -5.128 1.00 0.00 N ATOM 1334 CA SER A 88 -7.033 1.652 -4.330 1.00 0.00 C ATOM 1335 C SER A 88 -7.015 2.978 -5.098 1.00 0.00 C ATOM 1336 O SER A 88 -7.151 3.001 -6.324 1.00 0.00 O ATOM 1337 CB SER A 88 -5.612 1.214 -3.963 1.00 0.00 C ATOM 1338 OG SER A 88 -4.962 2.175 -3.156 1.00 0.00 O ATOM 0 H SER A 88 -7.439 0.666 -6.122 1.00 0.00 H new ATOM 0 HA SER A 88 -7.603 1.803 -3.413 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.650 0.261 -3.435 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.034 1.052 -4.873 1.00 0.00 H new ATOM 0 HG SER A 88 -5.554 2.438 -2.420 1.00 0.00 H new ATOM 1344 N THR A 89 -6.871 4.078 -4.374 1.00 0.00 N ATOM 1345 CA THR A 89 -6.868 5.406 -4.969 1.00 0.00 C ATOM 1346 C THR A 89 -5.770 6.266 -4.351 1.00 0.00 C ATOM 1347 O THR A 89 -5.463 6.135 -3.171 1.00 0.00 O ATOM 1348 CB THR A 89 -8.220 6.106 -4.774 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.284 5.176 -5.023 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.364 7.298 -5.712 1.00 0.00 C ATOM 0 H THR A 89 -6.753 4.076 -3.361 1.00 0.00 H new ATOM 0 HA THR A 89 -6.683 5.284 -6.036 1.00 0.00 H new ATOM 0 HB THR A 89 -8.270 6.467 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.146 5.624 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.332 7.773 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.569 8.016 -5.512 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.295 6.958 -6.745 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.168 7.118 -5.159 1.00 0.00 N ATOM 1359 CA LEU A 90 -4.092 7.987 -4.699 1.00 0.00 C ATOM 1360 C LEU A 90 -4.399 9.443 -5.035 1.00 0.00 C ATOM 1361 O LEU A 90 -4.649 9.783 -6.194 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.762 7.572 -5.339 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.296 6.151 -5.015 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.069 5.790 -5.837 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -1.991 6.017 -3.531 1.00 0.00 C ATOM 0 H LEU A 90 -5.405 7.230 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.010 7.888 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.852 7.669 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.990 8.272 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.100 5.461 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.753 4.776 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.312 5.849 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.262 6.486 -5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.661 5.000 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.204 6.719 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.889 6.235 -2.954 1.00 0.00 H new ATOM 1377 N LYS A 91 -4.386 10.299 -4.021 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.644 11.722 -4.214 1.00 0.00 C ATOM 1379 C LYS A 91 -3.487 12.563 -3.698 1.00 0.00 C ATOM 1380 O LYS A 91 -2.621 12.067 -2.979 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.945 12.142 -3.526 1.00 0.00 C ATOM 1382 CG LYS A 91 -7.189 11.589 -4.195 1.00 0.00 C ATOM 1383 CD LYS A 91 -8.456 12.126 -3.552 1.00 0.00 C ATOM 1384 CE LYS A 91 -9.700 11.684 -4.310 1.00 0.00 C ATOM 1385 NZ LYS A 91 -10.033 10.253 -4.081 1.00 0.00 N ATOM 0 H LYS A 91 -4.199 10.033 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.746 11.894 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.922 11.809 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -6.004 13.230 -3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.179 11.849 -5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.182 10.501 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.516 11.780 -2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.416 13.215 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.545 12.302 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.549 11.852 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.017 9.743 -4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.334 9.833 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.981 10.180 -3.660 1.00 0.00 H new ATOM 1399 N ARG A 92 -3.490 13.839 -4.059 1.00 0.00 N ATOM 1400 CA ARG A 92 -2.398 14.744 -3.727 1.00 0.00 C ATOM 1401 C ARG A 92 -2.491 15.246 -2.293 1.00 0.00 C ATOM 1402 O ARG A 92 -3.582 15.395 -1.741 1.00 0.00 O ATOM 1403 CB ARG A 92 -2.399 15.946 -4.671 1.00 0.00 C ATOM 1404 CG ARG A 92 -2.002 15.620 -6.098 1.00 0.00 C ATOM 1405 CD ARG A 92 -2.026 16.864 -6.975 1.00 0.00 C ATOM 1406 NE ARG A 92 -0.736 17.116 -7.619 1.00 0.00 N ATOM 1407 CZ ARG A 92 -0.467 18.203 -8.345 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -1.378 19.154 -8.497 1.00 0.00 N ATOM 1409 NH2 ARG A 92 0.722 18.346 -8.916 1.00 0.00 N ATOM 0 H ARG A 92 -4.246 14.274 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.472 14.179 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.395 16.389 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.717 16.701 -4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.003 15.183 -6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.682 14.872 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.795 16.752 -7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.302 17.727 -6.369 1.00 0.00 H new ATOM 0 HE ARG A 92 0.001 16.420 -7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.293 19.058 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.164 19.981 -9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.433 17.624 -8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.925 19.178 -9.470 1.00 0.00 H new ATOM 1423 N GLY A 93 -1.331 15.515 -1.712 1.00 0.00 N ATOM 1424 CA GLY A 93 -1.252 16.122 -0.404 1.00 0.00 C ATOM 1425 C GLY A 93 -0.597 17.485 -0.483 1.00 0.00 C ATOM 1426 O GLY A 93 0.409 17.655 -1.174 1.00 0.00 O ATOM 0 H GLY A 93 -0.425 15.317 -2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.252 16.218 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.683 15.478 0.267 1.00 0.00 H new ATOM 1430 N GLU A 94 -1.155 18.439 0.241 1.00 0.00 N ATOM 1431 CA GLU A 94 -0.778 19.845 0.136 1.00 0.00 C ATOM 1432 C GLU A 94 0.711 20.086 0.364 1.00 0.00 C ATOM 1433 O GLU A 94 1.338 20.872 -0.345 1.00 0.00 O ATOM 1434 CB GLU A 94 -1.596 20.650 1.135 1.00 0.00 C ATOM 1435 CG GLU A 94 -3.093 20.531 0.911 1.00 0.00 C ATOM 1436 CD GLU A 94 -3.901 21.138 2.034 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -4.225 22.343 1.954 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -4.231 20.411 2.991 1.00 0.00 O ATOM 0 H GLU A 94 -1.890 18.262 0.926 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.987 20.166 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.358 20.315 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.307 21.699 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.356 21.021 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.358 19.479 0.806 1.00 0.00 H new ATOM 1445 N ASN A 95 1.269 19.401 1.343 1.00 0.00 N ATOM 1446 CA ASN A 95 2.674 19.584 1.716 1.00 0.00 C ATOM 1447 C ASN A 95 3.579 18.604 0.978 1.00 0.00 C ATOM 1448 O ASN A 95 4.673 18.283 1.445 1.00 0.00 O ATOM 1449 CB ASN A 95 2.847 19.408 3.229 1.00 0.00 C ATOM 1450 CG ASN A 95 2.162 20.501 4.023 1.00 0.00 C ATOM 1451 OD1 ASN A 95 2.762 21.528 4.334 1.00 0.00 O ATOM 1452 ND2 ASN A 95 0.899 20.286 4.364 1.00 0.00 N ATOM 0 H ASN A 95 0.774 18.706 1.903 1.00 0.00 H new ATOM 0 HA ASN A 95 2.963 20.596 1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.444 18.440 3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.910 19.399 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.390 20.986 4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.436 19.420 4.087 1.00 0.00 H new ATOM 1459 N GLY A 96 3.133 18.153 -0.187 1.00 0.00 N ATOM 1460 CA GLY A 96 3.898 17.187 -0.949 1.00 0.00 C ATOM 1461 C GLY A 96 3.684 15.786 -0.429 1.00 0.00 C ATOM 1462 O GLY A 96 4.614 14.983 -0.360 1.00 0.00 O ATOM 0 H GLY A 96 2.254 18.440 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.608 17.236 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.958 17.438 -0.899 1.00 0.00 H new ATOM 1466 N THR A 97 2.449 15.503 -0.058 1.00 0.00 N ATOM 1467 CA THR A 97 2.088 14.226 0.526 1.00 0.00 C ATOM 1468 C THR A 97 1.284 13.403 -0.480 1.00 0.00 C ATOM 1469 O THR A 97 0.916 13.904 -1.542 1.00 0.00 O ATOM 1470 CB THR A 97 1.253 14.455 1.804 1.00 0.00 C ATOM 1471 OG1 THR A 97 1.690 15.660 2.446 1.00 0.00 O ATOM 1472 CG2 THR A 97 1.399 13.294 2.775 1.00 0.00 C ATOM 0 H THR A 97 1.668 16.153 -0.153 1.00 0.00 H new ATOM 0 HA THR A 97 2.996 13.681 0.785 1.00 0.00 H new ATOM 0 HB THR A 97 0.205 14.534 1.516 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.160 15.809 3.257 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.799 13.486 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.057 12.375 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.446 13.187 3.060 1.00 0.00 H new ATOM 1480 N LEU A 98 1.021 12.146 -0.156 1.00 0.00 N ATOM 1481 CA LEU A 98 0.175 11.311 -0.990 1.00 0.00 C ATOM 1482 C LEU A 98 -0.905 10.675 -0.129 1.00 0.00 C ATOM 1483 O LEU A 98 -0.619 10.130 0.941 1.00 0.00 O ATOM 1484 CB LEU A 98 1.003 10.232 -1.696 1.00 0.00 C ATOM 1485 CG LEU A 98 0.257 9.413 -2.758 1.00 0.00 C ATOM 1486 CD1 LEU A 98 -0.201 10.301 -3.905 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.140 8.293 -3.284 1.00 0.00 C ATOM 0 H LEU A 98 1.382 11.683 0.678 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.291 11.929 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.862 10.709 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.393 9.547 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.624 8.975 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.727 9.698 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.870 11.072 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.666 10.771 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.595 7.723 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.039 8.718 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.421 7.634 -2.462 1.00 0.00 H new ATOM 1499 N ILE A 99 -2.143 10.766 -0.578 1.00 0.00 N ATOM 1500 CA ILE A 99 -3.252 10.185 0.150 1.00 0.00 C ATOM 1501 C ILE A 99 -3.595 8.833 -0.440 1.00 0.00 C ATOM 1502 O ILE A 99 -4.044 8.738 -1.584 1.00 0.00 O ATOM 1503 CB ILE A 99 -4.495 11.098 0.122 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -4.159 12.457 0.742 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.660 10.444 0.862 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -5.310 13.438 0.721 1.00 0.00 C ATOM 0 H ILE A 99 -2.404 11.237 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.947 10.070 1.190 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.795 11.249 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.841 12.307 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.314 12.891 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.527 11.104 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.908 9.496 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.377 10.265 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.996 14.377 1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.615 13.619 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.150 13.026 1.281 1.00 0.00 H new ATOM 1518 N TRP A 100 -3.357 7.797 0.339 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.569 6.438 -0.109 1.00 0.00 C ATOM 1520 C TRP A 100 -4.931 5.946 0.351 1.00 0.00 C ATOM 1521 O TRP A 100 -5.172 5.780 1.542 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.453 5.536 0.432 1.00 0.00 C ATOM 1523 CG TRP A 100 -2.582 4.102 0.022 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -3.116 3.630 -1.138 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -2.154 2.952 0.763 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -3.064 2.261 -1.160 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -2.471 1.818 -0.009 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -1.529 2.772 2.000 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -2.192 0.522 0.416 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 -1.253 1.485 2.424 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -1.580 0.374 1.633 1.00 0.00 C ATOM 0 H TRP A 100 -3.013 7.874 1.296 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.544 6.407 -1.198 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.492 5.917 0.088 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -2.448 5.594 1.520 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -3.522 4.246 -1.927 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.411 1.667 -1.913 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -1.267 3.622 2.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -2.448 -0.334 -0.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.777 1.333 3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -1.345 -0.618 1.990 1.00 0.00 H new ATOM 1542 N GLU A 101 -5.826 5.728 -0.589 1.00 0.00 N ATOM 1543 CA GLU A 101 -7.145 5.230 -0.260 1.00 0.00 C ATOM 1544 C GLU A 101 -7.251 3.771 -0.622 1.00 0.00 C ATOM 1545 O GLU A 101 -6.911 3.358 -1.730 1.00 0.00 O ATOM 1546 CB GLU A 101 -8.211 6.041 -0.985 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.318 7.453 -0.459 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.109 8.378 -1.362 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -8.690 8.599 -2.519 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -10.150 8.905 -0.911 1.00 0.00 O ATOM 0 H GLU A 101 -5.666 5.887 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.305 5.334 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.980 6.070 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.175 5.544 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.787 7.431 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.315 7.859 -0.325 1.00 0.00 H new ATOM 1557 N GLN A 102 -7.717 3.002 0.325 1.00 0.00 N ATOM 1558 CA GLN A 102 -7.867 1.568 0.146 1.00 0.00 C ATOM 1559 C GLN A 102 -8.966 1.046 1.062 1.00 0.00 C ATOM 1560 O GLN A 102 -9.039 1.444 2.225 1.00 0.00 O ATOM 1561 CB GLN A 102 -6.531 0.865 0.425 1.00 0.00 C ATOM 1562 CG GLN A 102 -6.392 -0.508 -0.229 1.00 0.00 C ATOM 1563 CD GLN A 102 -7.068 -1.622 0.545 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -7.155 -1.585 1.772 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -7.554 -2.625 -0.169 1.00 0.00 N ATOM 0 H GLN A 102 -8.005 3.342 1.242 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.153 1.356 -0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.719 1.503 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.411 0.755 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.814 -0.467 -1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.333 -0.743 -0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.462 -2.619 -1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.020 -3.404 0.297 1.00 0.00 H new ATOM 1574 N ASN A 103 -9.843 0.201 0.521 1.00 0.00 N ATOM 1575 CA ASN A 103 -10.868 -0.480 1.321 1.00 0.00 C ATOM 1576 C ASN A 103 -11.891 0.508 1.880 1.00 0.00 C ATOM 1577 O ASN A 103 -12.691 0.163 2.750 1.00 0.00 O ATOM 1578 CB ASN A 103 -10.208 -1.255 2.470 1.00 0.00 C ATOM 1579 CG ASN A 103 -10.518 -2.737 2.443 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -11.638 -3.151 2.135 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -9.509 -3.544 2.733 1.00 0.00 N ATOM 0 H ASN A 103 -9.866 -0.031 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.395 -1.175 0.667 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.128 -1.115 2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.541 -0.838 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.641 -4.555 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.600 -3.155 2.982 1.00 0.00 H new ATOM 1588 N GLY A 104 -11.879 1.730 1.362 1.00 0.00 N ATOM 1589 CA GLY A 104 -12.763 2.758 1.871 1.00 0.00 C ATOM 1590 C GLY A 104 -12.151 3.510 3.034 1.00 0.00 C ATOM 1591 O GLY A 104 -12.829 4.286 3.708 1.00 0.00 O ATOM 0 H GLY A 104 -11.272 2.026 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.001 3.459 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.702 2.304 2.187 1.00 0.00 H new ATOM 1595 N GLN A 105 -10.869 3.265 3.284 1.00 0.00 N ATOM 1596 CA GLN A 105 -10.147 3.952 4.344 1.00 0.00 C ATOM 1597 C GLN A 105 -9.105 4.892 3.749 1.00 0.00 C ATOM 1598 O GLN A 105 -8.488 4.577 2.733 1.00 0.00 O ATOM 1599 CB GLN A 105 -9.464 2.932 5.255 1.00 0.00 C ATOM 1600 CG GLN A 105 -10.365 1.775 5.645 1.00 0.00 C ATOM 1601 CD GLN A 105 -9.700 0.819 6.612 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -9.032 -0.129 6.204 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -9.886 1.053 7.901 1.00 0.00 N ATOM 0 H GLN A 105 -10.308 2.592 2.763 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.857 4.537 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.580 2.541 4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.120 3.436 6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.277 2.166 6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.661 1.231 4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.447 1.851 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.468 0.436 8.597 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.923 6.047 4.371 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.945 7.012 3.901 1.00 0.00 C ATOM 1614 C ARG A 106 -6.654 6.939 4.705 1.00 0.00 C ATOM 1615 O ARG A 106 -6.640 7.184 5.912 1.00 0.00 O ATOM 1616 CB ARG A 106 -8.523 8.424 3.946 1.00 0.00 C ATOM 1617 CG ARG A 106 -9.275 8.800 2.681 1.00 0.00 C ATOM 1618 CD ARG A 106 -9.730 10.248 2.700 1.00 0.00 C ATOM 1619 NE ARG A 106 -10.208 10.682 1.387 1.00 0.00 N ATOM 1620 CZ ARG A 106 -10.299 11.960 1.012 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -9.946 12.930 1.848 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -10.747 12.268 -0.197 1.00 0.00 N ATOM 0 H ARG A 106 -9.440 6.337 5.201 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.705 6.763 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.195 8.508 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.714 9.137 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.635 8.632 1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.142 8.149 2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.525 10.370 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.904 10.885 3.015 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.489 9.965 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.604 12.700 2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.017 13.905 1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.023 11.528 -0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.816 13.245 -0.482 1.00 0.00 H new ATOM 1636 N LYS A 107 -5.580 6.591 4.020 1.00 0.00 N ATOM 1637 CA LYS A 107 -4.256 6.508 4.617 1.00 0.00 C ATOM 1638 C LYS A 107 -3.433 7.733 4.261 1.00 0.00 C ATOM 1639 O LYS A 107 -3.517 8.251 3.146 1.00 0.00 O ATOM 1640 CB LYS A 107 -3.529 5.254 4.138 1.00 0.00 C ATOM 1641 CG LYS A 107 -4.132 3.956 4.643 1.00 0.00 C ATOM 1642 CD LYS A 107 -3.947 3.792 6.140 1.00 0.00 C ATOM 1643 CE LYS A 107 -2.477 3.834 6.496 1.00 0.00 C ATOM 1644 NZ LYS A 107 -2.234 3.642 7.945 1.00 0.00 N ATOM 0 H LYS A 107 -5.600 6.356 3.028 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.378 6.460 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.528 5.242 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.488 5.307 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.195 3.932 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.670 3.115 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.479 4.584 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.380 2.846 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.950 3.060 5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.059 4.792 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.298 4.021 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.966 4.142 8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.267 2.627 8.171 1.00 0.00 H new ATOM 1658 N THR A 108 -2.658 8.210 5.213 1.00 0.00 N ATOM 1659 CA THR A 108 -1.813 9.368 4.984 1.00 0.00 C ATOM 1660 C THR A 108 -0.352 8.995 5.181 1.00 0.00 C ATOM 1661 O THR A 108 0.082 8.721 6.300 1.00 0.00 O ATOM 1662 CB THR A 108 -2.183 10.524 5.931 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.598 10.748 5.889 1.00 0.00 O ATOM 1664 CG2 THR A 108 -1.452 11.804 5.545 1.00 0.00 C ATOM 0 H THR A 108 -2.594 7.816 6.152 1.00 0.00 H new ATOM 0 HA THR A 108 -1.970 9.700 3.958 1.00 0.00 H new ATOM 0 HB THR A 108 -1.882 10.248 6.942 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.831 11.483 6.494 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.732 12.604 6.231 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.376 11.639 5.600 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.724 12.086 4.528 1.00 0.00 H new ATOM 1672 N MET A 109 0.408 9.017 4.096 1.00 0.00 N ATOM 1673 CA MET A 109 1.798 8.591 4.142 1.00 0.00 C ATOM 1674 C MET A 109 2.711 9.670 3.582 1.00 0.00 C ATOM 1675 O MET A 109 2.372 10.347 2.609 1.00 0.00 O ATOM 1676 CB MET A 109 1.980 7.276 3.378 1.00 0.00 C ATOM 1677 CG MET A 109 1.504 7.330 1.933 1.00 0.00 C ATOM 1678 SD MET A 109 1.580 5.729 1.115 1.00 0.00 S ATOM 1679 CE MET A 109 0.992 6.161 -0.518 1.00 0.00 C ATOM 0 H MET A 109 0.087 9.324 3.178 1.00 0.00 H new ATOM 0 HA MET A 109 2.072 8.424 5.184 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.035 7.002 3.393 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.438 6.487 3.899 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.478 7.698 1.906 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.114 8.045 1.381 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.364 5.358 -0.903 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.411 7.082 -0.464 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.842 6.307 -1.184 1.00 0.00 H new ATOM 1689 N THR A 110 3.866 9.833 4.204 1.00 0.00 N ATOM 1690 CA THR A 110 4.798 10.869 3.805 1.00 0.00 C ATOM 1691 C THR A 110 5.891 10.288 2.918 1.00 0.00 C ATOM 1692 O THR A 110 6.201 9.098 2.995 1.00 0.00 O ATOM 1693 CB THR A 110 5.432 11.539 5.032 1.00 0.00 C ATOM 1694 OG1 THR A 110 4.438 11.691 6.056 1.00 0.00 O ATOM 1695 CG2 THR A 110 6.005 12.907 4.680 1.00 0.00 C ATOM 0 H THR A 110 4.179 9.260 4.988 1.00 0.00 H new ATOM 0 HA THR A 110 4.242 11.621 3.244 1.00 0.00 H new ATOM 0 HB THR A 110 6.246 10.906 5.385 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.840 12.117 6.842 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.447 13.356 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.770 12.794 3.912 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.208 13.550 4.307 1.00 0.00 H new ATOM 1703 N ARG A 111 6.472 11.129 2.084 1.00 0.00 N ATOM 1704 CA ARG A 111 7.483 10.686 1.145 1.00 0.00 C ATOM 1705 C ARG A 111 8.853 10.743 1.791 1.00 0.00 C ATOM 1706 O ARG A 111 9.066 11.465 2.770 1.00 0.00 O ATOM 1707 CB ARG A 111 7.466 11.562 -0.110 1.00 0.00 C ATOM 1708 CG ARG A 111 8.208 12.873 0.069 1.00 0.00 C ATOM 1709 CD ARG A 111 7.688 13.949 -0.872 1.00 0.00 C ATOM 1710 NE ARG A 111 8.382 15.226 -0.687 1.00 0.00 N ATOM 1711 CZ ARG A 111 8.076 16.342 -1.351 1.00 0.00 C ATOM 1712 NH1 ARG A 111 7.059 16.351 -2.207 1.00 0.00 N ATOM 1713 NH2 ARG A 111 8.781 17.450 -1.144 1.00 0.00 N ATOM 0 H ARG A 111 6.260 12.126 2.038 1.00 0.00 H new ATOM 0 HA ARG A 111 7.264 9.657 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.911 11.010 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.432 11.771 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.105 13.211 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.272 12.716 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.809 13.617 -1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.620 14.090 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 111 9.144 15.264 -0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.511 15.504 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.826 17.205 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.554 17.446 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.549 18.304 -1.651 1.00 0.00 H new ATOM 1727 N ILE A 112 9.762 9.971 1.249 1.00 0.00 N ATOM 1728 CA ILE A 112 11.140 10.002 1.675 1.00 0.00 C ATOM 1729 C ILE A 112 11.916 10.922 0.748 1.00 0.00 C ATOM 1730 O ILE A 112 11.596 11.035 -0.436 1.00 0.00 O ATOM 1731 CB ILE A 112 11.744 8.590 1.665 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.819 7.640 2.432 1.00 0.00 C ATOM 1733 CG2 ILE A 112 13.144 8.585 2.265 1.00 0.00 C ATOM 1734 CD1 ILE A 112 10.768 7.894 3.927 1.00 0.00 C ATOM 0 H ILE A 112 9.569 9.304 0.502 1.00 0.00 H new ATOM 0 HA ILE A 112 11.197 10.378 2.697 1.00 0.00 H new ATOM 0 HB ILE A 112 11.833 8.251 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.811 7.725 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.146 6.615 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.545 7.572 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.791 9.243 1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.099 8.936 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 112 10.091 7.179 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.766 7.779 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.410 8.907 4.112 1.00 0.00 H new ATOM 1746 N GLU A 113 12.914 11.585 1.283 1.00 0.00 N ATOM 1747 CA GLU A 113 13.613 12.615 0.535 1.00 0.00 C ATOM 1748 C GLU A 113 14.740 12.027 -0.301 1.00 0.00 C ATOM 1749 O GLU A 113 15.652 11.385 0.218 1.00 0.00 O ATOM 1750 CB GLU A 113 14.160 13.693 1.467 1.00 0.00 C ATOM 1751 CG GLU A 113 14.780 14.865 0.724 1.00 0.00 C ATOM 1752 CD GLU A 113 15.370 15.902 1.651 1.00 0.00 C ATOM 1753 OE1 GLU A 113 16.550 15.765 2.019 1.00 0.00 O ATOM 1754 OE2 GLU A 113 14.660 16.866 2.007 1.00 0.00 O ATOM 0 H GLU A 113 13.263 11.434 2.230 1.00 0.00 H new ATOM 0 HA GLU A 113 12.889 13.071 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.353 14.059 2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 113 14.908 13.251 2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.559 14.495 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.021 15.334 0.098 1.00 0.00 H new