USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=31 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= -3.1! C(o=-3.1!,f=-5.5!) USER MOD Set 1.2: A 103 ASN : amide:sc= 0 X(o=-3.1,f=-3.2) USER MOD Set 2.1: A 37 THR OG1 : rot -159:sc= 2.32 USER MOD Set 2.2: A 48 THR OG1 : rot 98:sc= 1.3 USER MOD Set 3.1: A 20 THR OG1 : rot -77:sc= 1.12 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0.834 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= 1.28 (180deg=1.23) USER MOD Single : A 35 SER OG : rot 180:sc= -0.319 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 133:sc= -0.443 (180deg=-1.3) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -138:sc= -0.201 (180deg=-0.881) USER MOD Single : A 64 TYR OH : rot 52:sc= 0.522 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc=-0.00702 F(o=-1.1,f=-0.007) USER MOD Single : A 70 SER OG : rot 160:sc= 0.712 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.113 USER MOD Single : A 78 GLN : amide:sc= -4.97! C(o=-5!,f=-6.5!) USER MOD Single : A 79 TYR OH : rot 150:sc= -0.134 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+ 149:sc= 1.25 (180deg=-0.297!) USER MOD Single : A 88 SER OG : rot 52:sc= 1.52 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 141:sc= 1.32 (180deg=0.483) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 107 LYS NZ :NH3+ 154:sc= 1.05 (180deg=-0.642!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.701 USER MOD Single : A 109 MET CE :methyl -150:sc= -1.4 (180deg=-3.58!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N THR A 14 4.952 10.764 -16.013 1.00 0.00 N ATOM 205 CA THR A 14 5.881 10.868 -14.899 1.00 0.00 C ATOM 206 C THR A 14 5.229 10.336 -13.617 1.00 0.00 C ATOM 207 O THR A 14 4.178 10.814 -13.184 1.00 0.00 O ATOM 208 CB THR A 14 6.389 12.323 -14.712 1.00 0.00 C ATOM 209 OG1 THR A 14 7.425 12.374 -13.719 1.00 0.00 O ATOM 210 CG2 THR A 14 5.263 13.278 -14.326 1.00 0.00 C ATOM 0 HA THR A 14 6.753 10.254 -15.124 1.00 0.00 H new ATOM 0 HB THR A 14 6.790 12.645 -15.673 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.734 13.298 -13.616 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.665 14.284 -14.206 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.504 13.281 -15.109 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.815 12.952 -13.388 1.00 0.00 H new ATOM 218 N PRO A 15 5.821 9.296 -13.018 1.00 0.00 N ATOM 219 CA PRO A 15 5.278 8.660 -11.832 1.00 0.00 C ATOM 220 C PRO A 15 5.622 9.422 -10.560 1.00 0.00 C ATOM 221 O PRO A 15 6.718 9.283 -10.019 1.00 0.00 O ATOM 222 CB PRO A 15 5.938 7.271 -11.819 1.00 0.00 C ATOM 223 CG PRO A 15 6.844 7.223 -13.015 1.00 0.00 C ATOM 224 CD PRO A 15 7.058 8.644 -13.451 1.00 0.00 C ATOM 0 HA PRO A 15 4.189 8.622 -11.860 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.501 7.117 -10.898 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.186 6.483 -11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.792 6.748 -12.763 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.396 6.635 -13.816 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.936 9.085 -12.980 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.202 8.721 -14.529 1.00 0.00 H new ATOM 232 N PHE A 16 4.690 10.245 -10.094 1.00 0.00 N ATOM 233 CA PHE A 16 4.887 10.987 -8.852 1.00 0.00 C ATOM 234 C PHE A 16 4.659 10.073 -7.652 1.00 0.00 C ATOM 235 O PHE A 16 4.980 10.421 -6.521 1.00 0.00 O ATOM 236 CB PHE A 16 3.958 12.211 -8.787 1.00 0.00 C ATOM 237 CG PHE A 16 2.486 11.889 -8.792 1.00 0.00 C ATOM 238 CD1 PHE A 16 1.787 11.780 -9.986 1.00 0.00 C ATOM 239 CD2 PHE A 16 1.799 11.704 -7.600 1.00 0.00 C ATOM 240 CE1 PHE A 16 0.437 11.491 -9.990 1.00 0.00 C ATOM 241 CE2 PHE A 16 0.447 11.414 -7.599 1.00 0.00 C ATOM 242 CZ PHE A 16 -0.235 11.307 -8.795 1.00 0.00 C ATOM 0 H PHE A 16 3.795 10.416 -10.553 1.00 0.00 H new ATOM 0 HA PHE A 16 5.915 11.348 -8.827 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.189 12.777 -7.884 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.176 12.860 -9.635 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.305 11.923 -10.923 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.327 11.788 -6.662 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.095 11.409 -10.926 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.075 11.271 -6.664 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.291 11.080 -8.797 1.00 0.00 H new ATOM 252 N TYR A 17 4.109 8.896 -7.925 1.00 0.00 N ATOM 253 CA TYR A 17 3.827 7.911 -6.893 1.00 0.00 C ATOM 254 C TYR A 17 4.978 6.915 -6.753 1.00 0.00 C ATOM 255 O TYR A 17 4.967 6.057 -5.871 1.00 0.00 O ATOM 256 CB TYR A 17 2.519 7.179 -7.218 1.00 0.00 C ATOM 257 CG TYR A 17 2.475 6.549 -8.601 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.244 7.322 -9.734 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.652 5.182 -8.770 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.193 6.751 -10.993 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.604 4.604 -10.026 1.00 0.00 C ATOM 262 CZ TYR A 17 2.375 5.392 -11.135 1.00 0.00 C ATOM 263 OH TYR A 17 2.321 4.820 -12.388 1.00 0.00 O ATOM 0 H TYR A 17 3.847 8.600 -8.865 1.00 0.00 H new ATOM 0 HA TYR A 17 3.719 8.429 -5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.359 6.400 -6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.691 7.883 -7.127 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.102 8.387 -9.629 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.830 4.559 -7.906 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.011 7.367 -11.861 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.745 3.539 -10.138 1.00 0.00 H new ATOM 0 HH TYR A 17 2.471 3.854 -12.314 1.00 0.00 H new ATOM 273 N TYR A 18 5.974 7.043 -7.622 1.00 0.00 N ATOM 274 CA TYR A 18 7.115 6.134 -7.616 1.00 0.00 C ATOM 275 C TYR A 18 8.056 6.459 -6.459 1.00 0.00 C ATOM 276 O TYR A 18 8.363 7.627 -6.201 1.00 0.00 O ATOM 277 CB TYR A 18 7.869 6.209 -8.951 1.00 0.00 C ATOM 278 CG TYR A 18 9.153 5.398 -8.981 1.00 0.00 C ATOM 279 CD1 TYR A 18 9.137 4.029 -9.220 1.00 0.00 C ATOM 280 CD2 TYR A 18 10.380 6.004 -8.758 1.00 0.00 C ATOM 281 CE1 TYR A 18 10.308 3.294 -9.239 1.00 0.00 C ATOM 282 CE2 TYR A 18 11.553 5.274 -8.773 1.00 0.00 C ATOM 283 CZ TYR A 18 11.512 3.920 -9.015 1.00 0.00 C ATOM 284 OH TYR A 18 12.683 3.193 -9.025 1.00 0.00 O ATOM 0 H TYR A 18 6.015 7.767 -8.339 1.00 0.00 H new ATOM 0 HA TYR A 18 6.741 5.119 -7.483 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.212 5.860 -9.748 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.104 7.251 -9.166 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.194 3.531 -9.394 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.420 7.067 -8.569 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.277 2.231 -9.429 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.499 5.764 -8.595 1.00 0.00 H new ATOM 0 HH TYR A 18 13.440 3.790 -8.851 1.00 0.00 H new ATOM 294 N GLY A 19 8.509 5.422 -5.769 1.00 0.00 N ATOM 295 CA GLY A 19 9.444 5.606 -4.682 1.00 0.00 C ATOM 296 C GLY A 19 8.974 4.953 -3.402 1.00 0.00 C ATOM 297 O GLY A 19 8.045 4.142 -3.413 1.00 0.00 O ATOM 0 H GLY A 19 8.243 4.453 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.412 5.191 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.592 6.672 -4.510 1.00 0.00 H new ATOM 301 N THR A 20 9.622 5.296 -2.301 1.00 0.00 N ATOM 302 CA THR A 20 9.255 4.777 -0.998 1.00 0.00 C ATOM 303 C THR A 20 8.610 5.877 -0.161 1.00 0.00 C ATOM 304 O THR A 20 9.157 6.976 -0.032 1.00 0.00 O ATOM 305 CB THR A 20 10.486 4.217 -0.260 1.00 0.00 C ATOM 306 OG1 THR A 20 11.163 3.269 -1.100 1.00 0.00 O ATOM 307 CG2 THR A 20 10.086 3.542 1.045 1.00 0.00 C ATOM 0 H THR A 20 10.413 5.939 -2.287 1.00 0.00 H new ATOM 0 HA THR A 20 8.542 3.966 -1.144 1.00 0.00 H new ATOM 0 HB THR A 20 11.150 5.049 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.672 2.421 -1.098 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.976 3.157 1.543 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.592 4.266 1.693 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.403 2.719 0.835 1.00 0.00 H new ATOM 315 N TRP A 21 7.440 5.585 0.383 1.00 0.00 N ATOM 316 CA TRP A 21 6.699 6.548 1.181 1.00 0.00 C ATOM 317 C TRP A 21 6.676 6.116 2.646 1.00 0.00 C ATOM 318 O TRP A 21 6.670 4.920 2.948 1.00 0.00 O ATOM 319 CB TRP A 21 5.271 6.683 0.641 1.00 0.00 C ATOM 320 CG TRP A 21 5.210 7.059 -0.810 1.00 0.00 C ATOM 321 CD1 TRP A 21 5.342 6.220 -1.879 1.00 0.00 C ATOM 322 CD2 TRP A 21 4.993 8.366 -1.352 1.00 0.00 C ATOM 323 NE1 TRP A 21 5.233 6.927 -3.052 1.00 0.00 N ATOM 324 CE2 TRP A 21 5.015 8.246 -2.753 1.00 0.00 C ATOM 325 CE3 TRP A 21 4.781 9.624 -0.790 1.00 0.00 C ATOM 326 CZ2 TRP A 21 4.839 9.339 -3.598 1.00 0.00 C ATOM 327 CZ3 TRP A 21 4.604 10.708 -1.627 1.00 0.00 C ATOM 328 CH2 TRP A 21 4.631 10.560 -3.018 1.00 0.00 C ATOM 0 H TRP A 21 6.980 4.680 0.285 1.00 0.00 H new ATOM 0 HA TRP A 21 7.193 7.517 1.116 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.746 5.739 0.785 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.740 7.435 1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 21 5.508 5.155 -1.812 1.00 0.00 H new ATOM 0 HE1 TRP A 21 5.303 6.534 -3.991 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.756 9.749 0.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.866 9.227 -4.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.442 11.687 -1.201 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.485 11.427 -3.646 1.00 0.00 H new ATOM 339 N ASP A 22 6.682 7.091 3.547 1.00 0.00 N ATOM 340 CA ASP A 22 6.681 6.816 4.981 1.00 0.00 C ATOM 341 C ASP A 22 5.333 7.181 5.585 1.00 0.00 C ATOM 342 O ASP A 22 4.757 8.211 5.227 1.00 0.00 O ATOM 343 CB ASP A 22 7.792 7.606 5.682 1.00 0.00 C ATOM 344 CG ASP A 22 7.850 7.347 7.179 1.00 0.00 C ATOM 345 OD1 ASP A 22 7.106 8.005 7.940 1.00 0.00 O ATOM 346 OD2 ASP A 22 8.654 6.493 7.611 1.00 0.00 O ATOM 0 H ASP A 22 6.688 8.083 3.310 1.00 0.00 H new ATOM 0 HA ASP A 22 6.862 5.751 5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.752 7.346 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.638 8.671 5.509 1.00 0.00 H new ATOM 351 N GLU A 23 4.852 6.332 6.496 1.00 0.00 N ATOM 352 CA GLU A 23 3.566 6.530 7.169 1.00 0.00 C ATOM 353 C GLU A 23 3.381 7.968 7.652 1.00 0.00 C ATOM 354 O GLU A 23 2.472 8.665 7.210 1.00 0.00 O ATOM 355 CB GLU A 23 3.451 5.588 8.374 1.00 0.00 C ATOM 356 CG GLU A 23 3.303 4.121 8.015 1.00 0.00 C ATOM 357 CD GLU A 23 1.888 3.743 7.621 1.00 0.00 C ATOM 358 OE1 GLU A 23 1.492 3.992 6.465 1.00 0.00 O ATOM 359 OE2 GLU A 23 1.164 3.178 8.466 1.00 0.00 O ATOM 0 H GLU A 23 5.343 5.487 6.788 1.00 0.00 H new ATOM 0 HA GLU A 23 2.789 6.311 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.336 5.708 8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.593 5.890 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.978 3.885 7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.612 3.512 8.865 1.00 0.00 H new ATOM 366 N GLY A 24 4.256 8.410 8.554 1.00 0.00 N ATOM 367 CA GLY A 24 4.043 9.679 9.231 1.00 0.00 C ATOM 368 C GLY A 24 2.754 9.665 10.034 1.00 0.00 C ATOM 369 O GLY A 24 2.187 10.710 10.355 1.00 0.00 O ATOM 0 H GLY A 24 5.105 7.914 8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.884 9.887 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.008 10.484 8.497 1.00 0.00 H new ATOM 373 N ARG A 25 2.299 8.463 10.352 1.00 0.00 N ATOM 374 CA ARG A 25 1.036 8.251 11.012 1.00 0.00 C ATOM 375 C ARG A 25 1.237 7.633 12.388 1.00 0.00 C ATOM 376 O ARG A 25 2.353 7.588 12.906 1.00 0.00 O ATOM 377 CB ARG A 25 0.190 7.321 10.147 1.00 0.00 C ATOM 378 CG ARG A 25 -0.544 8.013 9.010 1.00 0.00 C ATOM 379 CD ARG A 25 -1.707 8.839 9.527 1.00 0.00 C ATOM 380 NE ARG A 25 -2.531 9.370 8.445 1.00 0.00 N ATOM 381 CZ ARG A 25 -3.550 8.710 7.893 1.00 0.00 C ATOM 382 NH1 ARG A 25 -3.864 7.484 8.307 1.00 0.00 N ATOM 383 NH2 ARG A 25 -4.261 9.279 6.931 1.00 0.00 N ATOM 0 H ARG A 25 2.808 7.602 10.153 1.00 0.00 H new ATOM 0 HA ARG A 25 0.534 9.210 11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.834 6.548 9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.540 6.819 10.782 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.148 8.656 8.466 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.910 7.268 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.324 8.224 10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.325 9.664 10.129 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.314 10.301 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.324 7.043 9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.645 6.986 7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.029 10.220 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.041 8.776 6.507 1.00 0.00 H new ATOM 397 N ALA A 26 0.149 7.156 12.971 1.00 0.00 N ATOM 398 CA ALA A 26 0.203 6.500 14.264 1.00 0.00 C ATOM 399 C ALA A 26 0.641 5.049 14.104 1.00 0.00 C ATOM 400 O ALA A 26 0.337 4.414 13.091 1.00 0.00 O ATOM 401 CB ALA A 26 -1.152 6.578 14.945 1.00 0.00 C ATOM 0 H ALA A 26 -0.785 7.212 12.566 1.00 0.00 H new ATOM 0 HA ALA A 26 0.935 7.012 14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.101 6.083 15.915 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.429 7.623 15.085 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.900 6.084 14.325 1.00 0.00 H new ATOM 407 N PRO A 27 1.373 4.513 15.096 1.00 0.00 N ATOM 408 CA PRO A 27 1.874 3.130 15.072 1.00 0.00 C ATOM 409 C PRO A 27 0.765 2.093 14.886 1.00 0.00 C ATOM 410 O PRO A 27 -0.386 2.316 15.266 1.00 0.00 O ATOM 411 CB PRO A 27 2.534 2.962 16.444 1.00 0.00 C ATOM 412 CG PRO A 27 2.871 4.344 16.878 1.00 0.00 C ATOM 413 CD PRO A 27 1.789 5.224 16.321 1.00 0.00 C ATOM 0 HA PRO A 27 2.549 2.968 14.232 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.859 2.479 17.151 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.426 2.339 16.380 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.911 4.414 17.965 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.850 4.644 16.504 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.962 5.337 17.021 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.158 6.225 16.100 1.00 0.00 H new ATOM 421 N GLY A 28 1.130 0.955 14.306 1.00 0.00 N ATOM 422 CA GLY A 28 0.168 -0.098 14.037 1.00 0.00 C ATOM 423 C GLY A 28 0.069 -1.100 15.173 1.00 0.00 C ATOM 424 O GLY A 28 0.326 -0.750 16.328 1.00 0.00 O ATOM 0 H GLY A 28 2.084 0.742 14.015 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.812 0.346 13.862 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.450 -0.618 13.122 1.00 0.00 H new ATOM 428 N PRO A 29 -0.334 -2.353 14.876 1.00 0.00 N ATOM 429 CA PRO A 29 -0.455 -3.424 15.877 1.00 0.00 C ATOM 430 C PRO A 29 0.807 -3.583 16.712 1.00 0.00 C ATOM 431 O PRO A 29 1.851 -3.965 16.195 1.00 0.00 O ATOM 432 CB PRO A 29 -0.672 -4.695 15.045 1.00 0.00 C ATOM 433 CG PRO A 29 -0.448 -4.300 13.620 1.00 0.00 C ATOM 434 CD PRO A 29 -0.709 -2.825 13.539 1.00 0.00 C ATOM 0 HA PRO A 29 -1.259 -3.210 16.581 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.021 -5.481 15.345 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.679 -5.087 15.187 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.571 -4.531 13.309 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.116 -4.849 12.956 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.111 -2.351 12.761 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.754 -2.611 13.313 1.00 0.00 H new ATOM 442 N THR A 30 0.711 -3.309 18.002 1.00 0.00 N ATOM 443 CA THR A 30 1.879 -3.363 18.861 1.00 0.00 C ATOM 444 C THR A 30 2.169 -4.789 19.303 1.00 0.00 C ATOM 445 O THR A 30 1.954 -5.198 20.449 1.00 0.00 O ATOM 446 CB THR A 30 1.762 -2.402 20.052 1.00 0.00 C ATOM 447 OG1 THR A 30 2.919 -2.488 20.893 1.00 0.00 O ATOM 448 CG2 THR A 30 0.500 -2.644 20.870 1.00 0.00 C ATOM 0 H THR A 30 -0.156 -3.049 18.473 1.00 0.00 H new ATOM 0 HA THR A 30 2.733 -3.024 18.274 1.00 0.00 H new ATOM 0 HB THR A 30 1.696 -1.396 19.638 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.824 -1.866 21.645 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.464 -1.939 21.701 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.376 -2.504 20.237 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.508 -3.662 21.259 1.00 0.00 H new ATOM 456 N ASP A 31 2.611 -5.549 18.334 1.00 0.00 N ATOM 457 CA ASP A 31 3.066 -6.916 18.554 1.00 0.00 C ATOM 458 C ASP A 31 4.440 -7.119 17.938 1.00 0.00 C ATOM 459 O ASP A 31 5.419 -7.383 18.639 1.00 0.00 O ATOM 460 CB ASP A 31 2.077 -7.932 17.974 1.00 0.00 C ATOM 461 CG ASP A 31 2.527 -9.364 18.208 1.00 0.00 C ATOM 462 OD1 ASP A 31 2.474 -9.821 19.370 1.00 0.00 O ATOM 463 OD2 ASP A 31 2.940 -10.039 17.237 1.00 0.00 O ATOM 0 H ASP A 31 2.669 -5.244 17.362 1.00 0.00 H new ATOM 0 HA ASP A 31 3.128 -7.078 19.630 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.097 -7.782 18.426 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.965 -7.758 16.904 1.00 0.00 H new ATOM 468 N GLY A 32 4.507 -6.987 16.628 1.00 0.00 N ATOM 469 CA GLY A 32 5.766 -7.145 15.933 1.00 0.00 C ATOM 470 C GLY A 32 6.103 -5.939 15.085 1.00 0.00 C ATOM 471 O GLY A 32 7.217 -5.409 15.154 1.00 0.00 O ATOM 0 H GLY A 32 3.710 -6.772 16.028 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.562 -7.311 16.659 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.722 -8.031 15.300 1.00 0.00 H new ATOM 475 N VAL A 33 5.140 -5.498 14.288 1.00 0.00 N ATOM 476 CA VAL A 33 5.342 -4.353 13.413 1.00 0.00 C ATOM 477 C VAL A 33 4.918 -3.076 14.122 1.00 0.00 C ATOM 478 O VAL A 33 3.851 -3.015 14.721 1.00 0.00 O ATOM 479 CB VAL A 33 4.532 -4.482 12.104 1.00 0.00 C ATOM 480 CG1 VAL A 33 5.001 -3.475 11.068 1.00 0.00 C ATOM 481 CG2 VAL A 33 4.593 -5.904 11.552 1.00 0.00 C ATOM 0 H VAL A 33 4.211 -5.916 14.230 1.00 0.00 H new ATOM 0 HA VAL A 33 6.403 -4.318 13.165 1.00 0.00 H new ATOM 0 HB VAL A 33 3.491 -4.261 12.338 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.413 -3.589 10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.873 -2.465 11.458 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.054 -3.647 10.844 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.013 -5.962 10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.630 -6.170 11.346 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.180 -6.597 12.285 1.00 0.00 H new ATOM 491 N LYS A 34 5.747 -2.054 14.053 1.00 0.00 N ATOM 492 CA LYS A 34 5.435 -0.793 14.687 1.00 0.00 C ATOM 493 C LYS A 34 5.108 0.269 13.653 1.00 0.00 C ATOM 494 O LYS A 34 4.462 1.274 13.954 1.00 0.00 O ATOM 495 CB LYS A 34 6.615 -0.359 15.540 1.00 0.00 C ATOM 496 CG LYS A 34 6.906 -1.320 16.679 1.00 0.00 C ATOM 497 CD LYS A 34 8.017 -0.812 17.579 1.00 0.00 C ATOM 498 CE LYS A 34 9.336 -0.674 16.833 1.00 0.00 C ATOM 499 NZ LYS A 34 10.448 -0.264 17.736 1.00 0.00 N ATOM 0 H LYS A 34 6.642 -2.074 13.564 1.00 0.00 H new ATOM 0 HA LYS A 34 4.556 -0.921 15.319 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.500 -0.272 14.910 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.416 0.632 15.949 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.001 -1.469 17.268 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.185 -2.292 16.272 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.733 0.154 17.995 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.145 -1.496 18.418 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.585 -1.623 16.359 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.226 0.061 16.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.351 -0.608 17.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.474 0.773 17.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.296 -0.671 18.681 1.00 0.00 H new ATOM 513 N SER A 35 5.534 0.020 12.425 1.00 0.00 N ATOM 514 CA SER A 35 5.398 0.987 11.340 1.00 0.00 C ATOM 515 C SER A 35 5.552 0.282 10.001 1.00 0.00 C ATOM 516 O SER A 35 6.035 -0.848 9.947 1.00 0.00 O ATOM 517 CB SER A 35 6.453 2.096 11.458 1.00 0.00 C ATOM 518 OG SER A 35 6.380 2.748 12.714 1.00 0.00 O ATOM 0 H SER A 35 5.983 -0.854 12.150 1.00 0.00 H new ATOM 0 HA SER A 35 4.409 1.440 11.407 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.447 1.670 11.325 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.309 2.824 10.660 1.00 0.00 H new ATOM 0 HG SER A 35 7.065 3.448 12.760 1.00 0.00 H new ATOM 524 N ALA A 36 5.165 0.949 8.927 1.00 0.00 N ATOM 525 CA ALA A 36 5.259 0.360 7.604 1.00 0.00 C ATOM 526 C ALA A 36 5.776 1.373 6.597 1.00 0.00 C ATOM 527 O ALA A 36 5.501 2.567 6.705 1.00 0.00 O ATOM 528 CB ALA A 36 3.906 -0.184 7.163 1.00 0.00 C ATOM 0 H ALA A 36 4.784 1.895 8.946 1.00 0.00 H new ATOM 0 HA ALA A 36 5.967 -0.467 7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.996 -0.622 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.574 -0.947 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.178 0.627 7.138 1.00 0.00 H new ATOM 534 N THR A 37 6.549 0.898 5.645 1.00 0.00 N ATOM 535 CA THR A 37 7.001 1.722 4.547 1.00 0.00 C ATOM 536 C THR A 37 6.570 1.093 3.230 1.00 0.00 C ATOM 537 O THR A 37 6.735 -0.108 3.024 1.00 0.00 O ATOM 538 CB THR A 37 8.532 1.899 4.575 1.00 0.00 C ATOM 539 OG1 THR A 37 9.161 0.656 4.910 1.00 0.00 O ATOM 540 CG2 THR A 37 8.941 2.962 5.581 1.00 0.00 C ATOM 0 H THR A 37 6.880 -0.066 5.611 1.00 0.00 H new ATOM 0 HA THR A 37 6.550 2.709 4.646 1.00 0.00 H new ATOM 0 HB THR A 37 8.854 2.218 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.067 0.827 5.243 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.026 3.066 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.485 3.914 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.606 2.669 6.576 1.00 0.00 H new ATOM 548 N VAL A 38 5.997 1.888 2.348 1.00 0.00 N ATOM 549 CA VAL A 38 5.480 1.356 1.101 1.00 0.00 C ATOM 550 C VAL A 38 6.294 1.862 -0.081 1.00 0.00 C ATOM 551 O VAL A 38 6.569 3.055 -0.202 1.00 0.00 O ATOM 552 CB VAL A 38 3.980 1.695 0.914 1.00 0.00 C ATOM 553 CG1 VAL A 38 3.749 3.199 0.870 1.00 0.00 C ATOM 554 CG2 VAL A 38 3.429 1.019 -0.332 1.00 0.00 C ATOM 0 H VAL A 38 5.878 2.894 2.468 1.00 0.00 H new ATOM 0 HA VAL A 38 5.571 0.271 1.146 1.00 0.00 H new ATOM 0 HB VAL A 38 3.440 1.309 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.686 3.400 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.090 3.647 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.306 3.628 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.374 1.269 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.980 1.364 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.537 -0.062 -0.238 1.00 0.00 H new ATOM 564 N THR A 39 6.712 0.940 -0.925 1.00 0.00 N ATOM 565 CA THR A 39 7.463 1.277 -2.112 1.00 0.00 C ATOM 566 C THR A 39 6.694 0.849 -3.356 1.00 0.00 C ATOM 567 O THR A 39 6.260 -0.301 -3.471 1.00 0.00 O ATOM 568 CB THR A 39 8.853 0.606 -2.099 1.00 0.00 C ATOM 569 OG1 THR A 39 9.568 0.987 -0.914 1.00 0.00 O ATOM 570 CG2 THR A 39 9.665 1.000 -3.324 1.00 0.00 C ATOM 0 H THR A 39 6.540 -0.058 -0.806 1.00 0.00 H new ATOM 0 HA THR A 39 7.604 2.358 -2.128 1.00 0.00 H new ATOM 0 HB THR A 39 8.705 -0.474 -2.113 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.449 0.557 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.639 0.512 -3.287 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.137 0.689 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.801 2.081 -3.338 1.00 0.00 H new ATOM 578 N PHE A 40 6.524 1.773 -4.285 1.00 0.00 N ATOM 579 CA PHE A 40 5.826 1.475 -5.521 1.00 0.00 C ATOM 580 C PHE A 40 6.840 1.235 -6.622 1.00 0.00 C ATOM 581 O PHE A 40 7.641 2.111 -6.947 1.00 0.00 O ATOM 582 CB PHE A 40 4.882 2.619 -5.906 1.00 0.00 C ATOM 583 CG PHE A 40 3.734 2.805 -4.953 1.00 0.00 C ATOM 584 CD1 PHE A 40 2.540 2.129 -5.152 1.00 0.00 C ATOM 585 CD2 PHE A 40 3.845 3.655 -3.863 1.00 0.00 C ATOM 586 CE1 PHE A 40 1.478 2.301 -4.283 1.00 0.00 C ATOM 587 CE2 PHE A 40 2.787 3.830 -2.990 1.00 0.00 C ATOM 588 CZ PHE A 40 1.602 3.153 -3.201 1.00 0.00 C ATOM 0 H PHE A 40 6.859 2.733 -4.207 1.00 0.00 H new ATOM 0 HA PHE A 40 5.223 0.578 -5.379 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.452 3.546 -5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.487 2.431 -6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.438 1.461 -5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.769 4.187 -3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.552 1.770 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.887 4.495 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.773 3.289 -2.522 1.00 0.00 H new ATOM 598 N THR A 41 6.820 0.027 -7.160 1.00 0.00 N ATOM 599 CA THR A 41 7.765 -0.378 -8.182 1.00 0.00 C ATOM 600 C THR A 41 7.085 -0.328 -9.553 1.00 0.00 C ATOM 601 O THR A 41 5.900 -0.006 -9.647 1.00 0.00 O ATOM 602 CB THR A 41 8.298 -1.798 -7.864 1.00 0.00 C ATOM 603 OG1 THR A 41 8.470 -1.925 -6.444 1.00 0.00 O ATOM 604 CG2 THR A 41 9.634 -2.078 -8.540 1.00 0.00 C ATOM 0 H THR A 41 6.150 -0.697 -6.900 1.00 0.00 H new ATOM 0 HA THR A 41 8.615 0.305 -8.199 1.00 0.00 H new ATOM 0 HB THR A 41 7.570 -2.516 -8.243 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.805 -2.822 -6.234 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.966 -3.085 -8.287 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.519 -1.995 -9.621 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.374 -1.355 -8.197 1.00 0.00 H new ATOM 612 N GLU A 42 7.843 -0.611 -10.600 1.00 0.00 N ATOM 613 CA GLU A 42 7.354 -0.564 -11.971 1.00 0.00 C ATOM 614 C GLU A 42 6.047 -1.344 -12.163 1.00 0.00 C ATOM 615 O GLU A 42 5.058 -0.791 -12.645 1.00 0.00 O ATOM 616 CB GLU A 42 8.439 -1.108 -12.897 1.00 0.00 C ATOM 617 CG GLU A 42 8.102 -1.035 -14.374 1.00 0.00 C ATOM 618 CD GLU A 42 9.291 -1.391 -15.243 1.00 0.00 C ATOM 619 OE1 GLU A 42 9.626 -2.591 -15.340 1.00 0.00 O ATOM 620 OE2 GLU A 42 9.904 -0.468 -15.819 1.00 0.00 O ATOM 0 H GLU A 42 8.823 -0.882 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 42 7.129 0.474 -12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.361 -0.554 -12.720 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.636 -2.147 -12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.277 -1.713 -14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.761 -0.029 -14.619 1.00 0.00 H new ATOM 627 N ASP A 43 6.035 -2.616 -11.783 1.00 0.00 N ATOM 628 CA ASP A 43 4.885 -3.473 -12.062 1.00 0.00 C ATOM 629 C ASP A 43 4.223 -3.955 -10.775 1.00 0.00 C ATOM 630 O ASP A 43 3.046 -4.327 -10.767 1.00 0.00 O ATOM 631 CB ASP A 43 5.335 -4.672 -12.901 1.00 0.00 C ATOM 632 CG ASP A 43 4.192 -5.581 -13.324 1.00 0.00 C ATOM 633 OD1 ASP A 43 3.560 -5.303 -14.366 1.00 0.00 O ATOM 634 OD2 ASP A 43 3.944 -6.596 -12.636 1.00 0.00 O ATOM 0 H ASP A 43 6.799 -3.075 -11.286 1.00 0.00 H new ATOM 0 HA ASP A 43 4.149 -2.890 -12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.849 -4.310 -13.791 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.059 -5.254 -12.330 1.00 0.00 H new ATOM 639 N GLU A 44 4.972 -3.926 -9.686 1.00 0.00 N ATOM 640 CA GLU A 44 4.504 -4.473 -8.424 1.00 0.00 C ATOM 641 C GLU A 44 4.658 -3.469 -7.283 1.00 0.00 C ATOM 642 O GLU A 44 5.461 -2.541 -7.352 1.00 0.00 O ATOM 643 CB GLU A 44 5.263 -5.766 -8.090 1.00 0.00 C ATOM 644 CG GLU A 44 6.782 -5.614 -8.020 1.00 0.00 C ATOM 645 CD GLU A 44 7.442 -5.510 -9.386 1.00 0.00 C ATOM 646 OE1 GLU A 44 7.802 -6.562 -9.961 1.00 0.00 O ATOM 647 OE2 GLU A 44 7.605 -4.380 -9.892 1.00 0.00 O ATOM 0 H GLU A 44 5.910 -3.528 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 44 3.443 -4.695 -8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.905 -6.145 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.021 -6.518 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.024 -4.724 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.201 -6.467 -7.486 1.00 0.00 H new ATOM 654 N VAL A 45 3.864 -3.655 -6.242 1.00 0.00 N ATOM 655 CA VAL A 45 3.969 -2.855 -5.036 1.00 0.00 C ATOM 656 C VAL A 45 4.577 -3.691 -3.915 1.00 0.00 C ATOM 657 O VAL A 45 4.102 -4.794 -3.626 1.00 0.00 O ATOM 658 CB VAL A 45 2.591 -2.323 -4.582 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.719 -1.459 -3.338 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.920 -1.543 -5.694 1.00 0.00 C ATOM 0 H VAL A 45 3.131 -4.363 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 45 4.608 -2.001 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 45 1.970 -3.185 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.734 -1.099 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.148 -2.049 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.367 -0.609 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.952 -1.179 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.547 -0.697 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.778 -2.191 -6.559 1.00 0.00 H new ATOM 670 N VAL A 46 5.627 -3.173 -3.296 1.00 0.00 N ATOM 671 CA VAL A 46 6.258 -3.851 -2.180 1.00 0.00 C ATOM 672 C VAL A 46 6.118 -3.016 -0.917 1.00 0.00 C ATOM 673 O VAL A 46 6.509 -1.846 -0.888 1.00 0.00 O ATOM 674 CB VAL A 46 7.758 -4.131 -2.435 1.00 0.00 C ATOM 675 CG1 VAL A 46 8.418 -4.741 -1.209 1.00 0.00 C ATOM 676 CG2 VAL A 46 7.950 -5.037 -3.639 1.00 0.00 C ATOM 0 H VAL A 46 6.059 -2.284 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 46 5.751 -4.809 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 46 8.237 -3.175 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.472 -4.927 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.330 -4.053 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.926 -5.681 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.014 -5.216 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.444 -5.986 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.530 -4.560 -4.524 1.00 0.00 H new ATOM 686 N GLU A 47 5.549 -3.608 0.116 1.00 0.00 N ATOM 687 CA GLU A 47 5.464 -2.951 1.407 1.00 0.00 C ATOM 688 C GLU A 47 6.463 -3.588 2.356 1.00 0.00 C ATOM 689 O GLU A 47 6.607 -4.812 2.392 1.00 0.00 O ATOM 690 CB GLU A 47 4.048 -3.036 1.982 1.00 0.00 C ATOM 691 CG GLU A 47 3.891 -2.322 3.318 1.00 0.00 C ATOM 692 CD GLU A 47 2.476 -2.380 3.858 1.00 0.00 C ATOM 693 OE1 GLU A 47 2.001 -3.488 4.176 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.834 -1.312 3.981 1.00 0.00 O ATOM 0 H GLU A 47 5.139 -4.542 0.087 1.00 0.00 H new ATOM 0 HA GLU A 47 5.701 -1.895 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.347 -2.608 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.777 -4.084 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.570 -2.769 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.188 -1.279 3.204 1.00 0.00 H new ATOM 701 N THR A 48 7.166 -2.761 3.092 1.00 0.00 N ATOM 702 CA THR A 48 8.106 -3.232 4.074 1.00 0.00 C ATOM 703 C THR A 48 7.577 -2.955 5.471 1.00 0.00 C ATOM 704 O THR A 48 7.218 -1.823 5.803 1.00 0.00 O ATOM 705 CB THR A 48 9.479 -2.561 3.885 1.00 0.00 C ATOM 706 OG1 THR A 48 9.336 -1.320 3.178 1.00 0.00 O ATOM 707 CG2 THR A 48 10.428 -3.469 3.125 1.00 0.00 C ATOM 0 H THR A 48 7.101 -1.745 3.026 1.00 0.00 H new ATOM 0 HA THR A 48 8.231 -4.307 3.944 1.00 0.00 H new ATOM 0 HB THR A 48 9.895 -2.368 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.317 -0.579 3.819 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.390 -2.971 3.005 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.566 -4.397 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.010 -3.692 2.143 1.00 0.00 H new ATOM 715 N GLU A 49 7.516 -3.990 6.286 1.00 0.00 N ATOM 716 CA GLU A 49 6.992 -3.854 7.630 1.00 0.00 C ATOM 717 C GLU A 49 8.142 -3.708 8.603 1.00 0.00 C ATOM 718 O GLU A 49 9.065 -4.525 8.610 1.00 0.00 O ATOM 719 CB GLU A 49 6.155 -5.076 8.016 1.00 0.00 C ATOM 720 CG GLU A 49 5.112 -5.470 6.979 1.00 0.00 C ATOM 721 CD GLU A 49 4.213 -6.601 7.449 1.00 0.00 C ATOM 722 OE1 GLU A 49 4.718 -7.724 7.675 1.00 0.00 O ATOM 723 OE2 GLU A 49 2.995 -6.372 7.593 1.00 0.00 O ATOM 0 H GLU A 49 7.822 -4.932 6.042 1.00 0.00 H new ATOM 0 HA GLU A 49 6.354 -2.971 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.822 -5.921 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.653 -4.874 8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.499 -4.601 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.615 -5.770 6.060 1.00 0.00 H new ATOM 730 N VAL A 50 8.098 -2.660 9.406 1.00 0.00 N ATOM 731 CA VAL A 50 9.151 -2.421 10.371 1.00 0.00 C ATOM 732 C VAL A 50 8.850 -3.184 11.644 1.00 0.00 C ATOM 733 O VAL A 50 7.912 -2.864 12.378 1.00 0.00 O ATOM 734 CB VAL A 50 9.312 -0.920 10.692 1.00 0.00 C ATOM 735 CG1 VAL A 50 10.479 -0.694 11.638 1.00 0.00 C ATOM 736 CG2 VAL A 50 9.494 -0.106 9.417 1.00 0.00 C ATOM 0 H VAL A 50 7.350 -1.967 9.408 1.00 0.00 H new ATOM 0 HA VAL A 50 10.088 -2.767 9.935 1.00 0.00 H new ATOM 0 HB VAL A 50 8.400 -0.583 11.184 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.574 0.371 11.851 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.304 -1.235 12.568 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.398 -1.055 11.175 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.605 0.948 9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.385 -0.448 8.891 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.622 -0.235 8.776 1.00 0.00 H new ATOM 746 N MET A 51 9.665 -4.185 11.900 1.00 0.00 N ATOM 747 CA MET A 51 9.466 -5.070 13.018 1.00 0.00 C ATOM 748 C MET A 51 10.593 -4.902 14.018 1.00 0.00 C ATOM 749 O MET A 51 11.767 -4.922 13.644 1.00 0.00 O ATOM 750 CB MET A 51 9.396 -6.509 12.518 1.00 0.00 C ATOM 751 CG MET A 51 8.198 -6.785 11.622 1.00 0.00 C ATOM 752 SD MET A 51 8.157 -8.487 11.027 1.00 0.00 S ATOM 753 CE MET A 51 8.061 -9.373 12.580 1.00 0.00 C ATOM 0 H MET A 51 10.485 -4.405 11.335 1.00 0.00 H new ATOM 0 HA MET A 51 8.528 -4.825 13.517 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.310 -6.739 11.970 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.361 -7.181 13.375 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.281 -6.574 12.172 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.222 -6.106 10.770 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.282 -10.133 12.518 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.019 -9.851 12.786 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.824 -8.675 13.383 1.00 0.00 H new ATOM 763 N GLU A 52 10.229 -4.735 15.281 1.00 0.00 N ATOM 764 CA GLU A 52 11.198 -4.469 16.332 1.00 0.00 C ATOM 765 C GLU A 52 12.177 -5.632 16.482 1.00 0.00 C ATOM 766 O GLU A 52 11.785 -6.754 16.797 1.00 0.00 O ATOM 767 CB GLU A 52 10.478 -4.195 17.655 1.00 0.00 C ATOM 768 CG GLU A 52 11.403 -3.763 18.779 1.00 0.00 C ATOM 769 CD GLU A 52 10.649 -3.149 19.937 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.371 -1.933 19.884 1.00 0.00 O ATOM 771 OE2 GLU A 52 10.327 -3.871 20.898 1.00 0.00 O ATOM 0 H GLU A 52 9.262 -4.780 15.603 1.00 0.00 H new ATOM 0 HA GLU A 52 11.771 -3.584 16.055 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.728 -3.420 17.496 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.946 -5.095 17.961 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.969 -4.625 19.133 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.126 -3.043 18.396 1.00 0.00 H new ATOM 778 N GLY A 53 13.452 -5.352 16.229 1.00 0.00 N ATOM 779 CA GLY A 53 14.482 -6.369 16.336 1.00 0.00 C ATOM 780 C GLY A 53 14.851 -6.955 14.989 1.00 0.00 C ATOM 781 O GLY A 53 15.956 -7.471 14.805 1.00 0.00 O ATOM 0 H GLY A 53 13.792 -4.432 15.950 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.370 -5.937 16.798 1.00 0.00 H new ATOM 0 HA3 GLY A 53 14.136 -7.166 16.994 1.00 0.00 H new ATOM 785 N ARG A 54 13.925 -6.872 14.044 1.00 0.00 N ATOM 786 CA ARG A 54 14.132 -7.422 12.711 1.00 0.00 C ATOM 787 C ARG A 54 14.591 -6.331 11.757 1.00 0.00 C ATOM 788 O ARG A 54 15.650 -6.419 11.134 1.00 0.00 O ATOM 789 CB ARG A 54 12.827 -8.003 12.178 1.00 0.00 C ATOM 790 CG ARG A 54 12.058 -8.844 13.181 1.00 0.00 C ATOM 791 CD ARG A 54 12.553 -10.281 13.236 1.00 0.00 C ATOM 792 NE ARG A 54 13.789 -10.415 14.005 1.00 0.00 N ATOM 793 CZ ARG A 54 14.887 -11.017 13.553 1.00 0.00 C ATOM 794 NH1 ARG A 54 14.924 -11.500 12.316 1.00 0.00 N ATOM 795 NH2 ARG A 54 15.949 -11.135 14.334 1.00 0.00 N ATOM 0 H ARG A 54 13.017 -6.426 14.177 1.00 0.00 H new ATOM 0 HA ARG A 54 14.891 -8.201 12.779 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.189 -7.185 11.844 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.047 -8.614 11.303 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.146 -8.395 14.170 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.000 -8.837 12.920 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.782 -10.911 13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.718 -10.645 12.222 1.00 0.00 H new ATOM 0 HE ARG A 54 13.812 -10.023 14.946 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.109 -11.410 11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.767 -11.961 11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.927 -10.764 15.284 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.789 -11.597 13.986 1.00 0.00 H new ATOM 809 N GLY A 55 13.759 -5.312 11.652 1.00 0.00 N ATOM 810 CA GLY A 55 14.000 -4.229 10.723 1.00 0.00 C ATOM 811 C GLY A 55 12.868 -4.121 9.726 1.00 0.00 C ATOM 812 O GLY A 55 11.734 -4.484 10.044 1.00 0.00 O ATOM 0 H GLY A 55 12.906 -5.213 12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.102 -3.291 11.268 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.940 -4.396 10.197 1.00 0.00 H new ATOM 816 N GLU A 56 13.156 -3.623 8.533 1.00 0.00 N ATOM 817 CA GLU A 56 12.166 -3.582 7.476 1.00 0.00 C ATOM 818 C GLU A 56 12.125 -4.911 6.749 1.00 0.00 C ATOM 819 O GLU A 56 13.110 -5.340 6.149 1.00 0.00 O ATOM 820 CB GLU A 56 12.476 -2.455 6.493 1.00 0.00 C ATOM 821 CG GLU A 56 12.363 -1.070 7.100 1.00 0.00 C ATOM 822 CD GLU A 56 12.730 0.030 6.122 1.00 0.00 C ATOM 823 OE1 GLU A 56 13.941 0.289 5.945 1.00 0.00 O ATOM 824 OE2 GLU A 56 11.815 0.644 5.529 1.00 0.00 O ATOM 0 H GLU A 56 14.067 -3.243 8.276 1.00 0.00 H new ATOM 0 HA GLU A 56 11.190 -3.392 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.485 -2.591 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.796 -2.527 5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.343 -0.914 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.013 -1.006 7.973 1.00 0.00 H new ATOM 831 N VAL A 57 10.981 -5.559 6.828 1.00 0.00 N ATOM 832 CA VAL A 57 10.773 -6.843 6.192 1.00 0.00 C ATOM 833 C VAL A 57 9.902 -6.680 4.955 1.00 0.00 C ATOM 834 O VAL A 57 8.794 -6.147 5.033 1.00 0.00 O ATOM 835 CB VAL A 57 10.110 -7.829 7.173 1.00 0.00 C ATOM 836 CG1 VAL A 57 9.763 -9.142 6.481 1.00 0.00 C ATOM 837 CG2 VAL A 57 11.016 -8.081 8.368 1.00 0.00 C ATOM 0 H VAL A 57 10.168 -5.210 7.336 1.00 0.00 H new ATOM 0 HA VAL A 57 11.743 -7.243 5.895 1.00 0.00 H new ATOM 0 HB VAL A 57 9.182 -7.379 7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.297 -9.819 7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.072 -8.949 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.672 -9.598 6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.532 -8.780 9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.961 -8.504 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.206 -7.141 8.886 1.00 0.00 H new ATOM 847 N GLN A 58 10.411 -7.127 3.816 1.00 0.00 N ATOM 848 CA GLN A 58 9.723 -6.967 2.553 1.00 0.00 C ATOM 849 C GLN A 58 8.618 -8.003 2.400 1.00 0.00 C ATOM 850 O GLN A 58 8.857 -9.204 2.544 1.00 0.00 O ATOM 851 CB GLN A 58 10.716 -7.111 1.403 1.00 0.00 C ATOM 852 CG GLN A 58 11.908 -6.174 1.496 1.00 0.00 C ATOM 853 CD GLN A 58 12.860 -6.322 0.329 1.00 0.00 C ATOM 854 OE1 GLN A 58 12.745 -5.626 -0.678 1.00 0.00 O ATOM 855 NE2 GLN A 58 13.802 -7.237 0.454 1.00 0.00 N ATOM 0 H GLN A 58 11.308 -7.608 3.746 1.00 0.00 H new ATOM 0 HA GLN A 58 9.274 -5.974 2.532 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.076 -8.139 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.196 -6.929 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.553 -5.144 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.445 -6.367 2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.863 -7.793 1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.470 -7.388 -0.302 1.00 0.00 H new ATOM 864 N LEU A 59 7.417 -7.535 2.116 1.00 0.00 N ATOM 865 CA LEU A 59 6.297 -8.422 1.848 1.00 0.00 C ATOM 866 C LEU A 59 6.336 -8.889 0.398 1.00 0.00 C ATOM 867 O LEU A 59 6.992 -8.266 -0.439 1.00 0.00 O ATOM 868 CB LEU A 59 4.971 -7.712 2.135 1.00 0.00 C ATOM 869 CG LEU A 59 4.719 -7.395 3.605 1.00 0.00 C ATOM 870 CD1 LEU A 59 3.424 -6.619 3.771 1.00 0.00 C ATOM 871 CD2 LEU A 59 4.680 -8.676 4.422 1.00 0.00 C ATOM 0 H LEU A 59 7.190 -6.542 2.064 1.00 0.00 H new ATOM 0 HA LEU A 59 6.376 -9.289 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.943 -6.782 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.155 -8.334 1.767 1.00 0.00 H new ATOM 0 HG LEU A 59 5.538 -6.775 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.262 -6.403 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.486 -5.684 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.593 -7.213 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.499 -8.434 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.879 -9.318 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.633 -9.196 4.329 1.00 0.00 H new ATOM 883 N PRO A 60 5.658 -10.010 0.095 1.00 0.00 N ATOM 884 CA PRO A 60 5.511 -10.510 -1.277 1.00 0.00 C ATOM 885 C PRO A 60 5.014 -9.423 -2.222 1.00 0.00 C ATOM 886 O PRO A 60 4.177 -8.599 -1.848 1.00 0.00 O ATOM 887 CB PRO A 60 4.465 -11.619 -1.138 1.00 0.00 C ATOM 888 CG PRO A 60 4.595 -12.088 0.267 1.00 0.00 C ATOM 889 CD PRO A 60 4.984 -10.883 1.074 1.00 0.00 C ATOM 0 HA PRO A 60 6.456 -10.853 -1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.461 -11.244 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.650 -12.428 -1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.656 -12.510 0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.349 -12.871 0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.113 -10.396 1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.647 -11.149 1.897 1.00 0.00 H new ATOM 897 N PHE A 61 5.534 -9.419 -3.441 1.00 0.00 N ATOM 898 CA PHE A 61 5.200 -8.383 -4.401 1.00 0.00 C ATOM 899 C PHE A 61 3.744 -8.481 -4.826 1.00 0.00 C ATOM 900 O PHE A 61 3.255 -9.547 -5.205 1.00 0.00 O ATOM 901 CB PHE A 61 6.134 -8.431 -5.619 1.00 0.00 C ATOM 902 CG PHE A 61 6.198 -9.764 -6.319 1.00 0.00 C ATOM 903 CD1 PHE A 61 7.089 -10.743 -5.898 1.00 0.00 C ATOM 904 CD2 PHE A 61 5.377 -10.035 -7.405 1.00 0.00 C ATOM 905 CE1 PHE A 61 7.155 -11.963 -6.546 1.00 0.00 C ATOM 906 CE2 PHE A 61 5.438 -11.253 -8.052 1.00 0.00 C ATOM 907 CZ PHE A 61 6.328 -12.217 -7.623 1.00 0.00 C ATOM 0 H PHE A 61 6.188 -10.122 -3.786 1.00 0.00 H new ATOM 0 HA PHE A 61 5.342 -7.420 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.811 -7.676 -6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.139 -8.157 -5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.737 -10.549 -5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.682 -9.283 -7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.852 -12.716 -6.210 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.790 -11.451 -8.893 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.378 -13.170 -8.129 1.00 0.00 H new ATOM 917 N MET A 62 3.053 -7.361 -4.727 1.00 0.00 N ATOM 918 CA MET A 62 1.651 -7.289 -5.102 1.00 0.00 C ATOM 919 C MET A 62 1.509 -6.592 -6.446 1.00 0.00 C ATOM 920 O MET A 62 1.902 -5.436 -6.595 1.00 0.00 O ATOM 921 CB MET A 62 0.844 -6.541 -4.034 1.00 0.00 C ATOM 922 CG MET A 62 0.851 -7.221 -2.671 1.00 0.00 C ATOM 923 SD MET A 62 0.019 -6.245 -1.400 1.00 0.00 S ATOM 924 CE MET A 62 1.055 -4.784 -1.370 1.00 0.00 C ATOM 0 H MET A 62 3.442 -6.482 -4.387 1.00 0.00 H new ATOM 0 HA MET A 62 1.260 -8.303 -5.182 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.245 -5.533 -3.929 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.187 -6.441 -4.374 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.365 -8.193 -2.752 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.881 -7.404 -2.366 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.219 -4.475 -0.338 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.013 -5.008 -1.839 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.564 -3.978 -1.916 1.00 0.00 H new ATOM 934 N ALA A 63 0.957 -7.297 -7.420 1.00 0.00 N ATOM 935 CA ALA A 63 0.801 -6.751 -8.759 1.00 0.00 C ATOM 936 C ALA A 63 -0.329 -5.732 -8.790 1.00 0.00 C ATOM 937 O ALA A 63 -1.402 -5.973 -8.232 1.00 0.00 O ATOM 938 CB ALA A 63 0.534 -7.867 -9.758 1.00 0.00 C ATOM 0 H ALA A 63 0.609 -8.249 -7.309 1.00 0.00 H new ATOM 0 HA ALA A 63 1.728 -6.249 -9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.419 -7.443 -10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.370 -8.566 -9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.379 -8.393 -9.480 1.00 0.00 H new ATOM 944 N TYR A 64 -0.087 -4.599 -9.431 1.00 0.00 N ATOM 945 CA TYR A 64 -1.095 -3.555 -9.522 1.00 0.00 C ATOM 946 C TYR A 64 -1.303 -3.140 -10.972 1.00 0.00 C ATOM 947 O TYR A 64 -0.379 -3.187 -11.784 1.00 0.00 O ATOM 948 CB TYR A 64 -0.699 -2.335 -8.672 1.00 0.00 C ATOM 949 CG TYR A 64 0.379 -1.461 -9.283 1.00 0.00 C ATOM 950 CD1 TYR A 64 1.722 -1.799 -9.186 1.00 0.00 C ATOM 951 CD2 TYR A 64 0.048 -0.290 -9.955 1.00 0.00 C ATOM 952 CE1 TYR A 64 2.703 -0.999 -9.741 1.00 0.00 C ATOM 953 CE2 TYR A 64 1.021 0.514 -10.514 1.00 0.00 C ATOM 954 CZ TYR A 64 2.348 0.156 -10.406 1.00 0.00 C ATOM 955 OH TYR A 64 3.323 0.954 -10.961 1.00 0.00 O ATOM 0 H TYR A 64 0.795 -4.380 -9.894 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.032 -3.955 -9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.586 -1.726 -8.499 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.356 -2.684 -7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.005 -2.703 -8.668 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.990 -0.004 -10.041 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.743 -1.277 -9.654 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.744 1.419 -11.034 1.00 0.00 H new ATOM 0 HH TYR A 64 3.903 0.411 -11.534 1.00 0.00 H new ATOM 965 N LYS A 65 -2.527 -2.763 -11.293 1.00 0.00 N ATOM 966 CA LYS A 65 -2.845 -2.209 -12.597 1.00 0.00 C ATOM 967 C LYS A 65 -3.466 -0.837 -12.416 1.00 0.00 C ATOM 968 O LYS A 65 -3.969 -0.512 -11.342 1.00 0.00 O ATOM 969 CB LYS A 65 -3.798 -3.128 -13.370 1.00 0.00 C ATOM 970 CG LYS A 65 -5.176 -3.260 -12.740 1.00 0.00 C ATOM 971 CD LYS A 65 -6.080 -4.163 -13.564 1.00 0.00 C ATOM 972 CE LYS A 65 -6.291 -3.612 -14.964 1.00 0.00 C ATOM 973 NZ LYS A 65 -7.079 -4.537 -15.819 1.00 0.00 N ATOM 0 H LYS A 65 -3.325 -2.831 -10.661 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.926 -2.123 -13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.909 -2.748 -14.386 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.349 -4.118 -13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.079 -3.662 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.631 -2.274 -12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.642 -5.159 -13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.043 -4.269 -13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.804 -2.652 -14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.323 -3.426 -15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.198 -4.120 -16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.578 -5.445 -15.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.013 -4.695 -15.390 1.00 0.00 H new ATOM 987 N VAL A 66 -3.418 -0.040 -13.461 1.00 0.00 N ATOM 988 CA VAL A 66 -3.900 1.325 -13.396 1.00 0.00 C ATOM 989 C VAL A 66 -5.273 1.452 -14.044 1.00 0.00 C ATOM 990 O VAL A 66 -5.454 1.105 -15.211 1.00 0.00 O ATOM 991 CB VAL A 66 -2.901 2.284 -14.085 1.00 0.00 C ATOM 992 CG1 VAL A 66 -3.448 3.700 -14.157 1.00 0.00 C ATOM 993 CG2 VAL A 66 -1.566 2.281 -13.357 1.00 0.00 C ATOM 0 H VAL A 66 -3.048 -0.314 -14.371 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.989 1.599 -12.345 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.753 1.924 -15.103 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.720 4.347 -14.647 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.377 3.703 -14.727 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.640 4.068 -13.149 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.877 2.962 -13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.713 2.605 -12.327 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.150 1.274 -13.364 1.00 0.00 H new ATOM 1003 N ILE A 67 -6.239 1.932 -13.273 1.00 0.00 N ATOM 1004 CA ILE A 67 -7.575 2.169 -13.787 1.00 0.00 C ATOM 1005 C ILE A 67 -7.661 3.588 -14.323 1.00 0.00 C ATOM 1006 O ILE A 67 -8.141 3.829 -15.429 1.00 0.00 O ATOM 1007 CB ILE A 67 -8.655 1.994 -12.699 1.00 0.00 C ATOM 1008 CG1 ILE A 67 -8.405 0.722 -11.884 1.00 0.00 C ATOM 1009 CG2 ILE A 67 -10.039 1.962 -13.331 1.00 0.00 C ATOM 1010 CD1 ILE A 67 -9.447 0.481 -10.812 1.00 0.00 C ATOM 0 H ILE A 67 -6.119 2.164 -12.287 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.758 1.437 -14.574 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.602 2.846 -12.021 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.383 -0.134 -12.558 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.422 0.786 -11.417 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.792 1.838 -12.552 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.218 2.896 -13.863 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.100 1.129 -14.031 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.209 -0.436 -10.273 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.454 1.320 -10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.429 0.386 -11.274 1.00 0.00 H new ATOM 1022 N SER A 68 -7.192 4.525 -13.517 1.00 0.00 N ATOM 1023 CA SER A 68 -7.176 5.925 -13.889 1.00 0.00 C ATOM 1024 C SER A 68 -5.930 6.585 -13.330 1.00 0.00 C ATOM 1025 O SER A 68 -5.352 6.109 -12.356 1.00 0.00 O ATOM 1026 CB SER A 68 -8.409 6.635 -13.345 1.00 0.00 C ATOM 1027 OG SER A 68 -9.591 5.910 -13.642 1.00 0.00 O ATOM 0 H SER A 68 -6.813 4.335 -12.589 1.00 0.00 H new ATOM 0 HA SER A 68 -7.177 5.997 -14.977 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.315 6.757 -12.266 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.475 7.635 -13.774 1.00 0.00 H new ATOM 0 HG SER A 68 -10.367 6.387 -13.280 1.00 0.00 H new ATOM 1033 N GLN A 69 -5.519 7.670 -13.950 1.00 0.00 N ATOM 1034 CA GLN A 69 -4.347 8.411 -13.508 1.00 0.00 C ATOM 1035 C GLN A 69 -4.503 9.887 -13.829 1.00 0.00 C ATOM 1036 O GLN A 69 -4.844 10.254 -14.954 1.00 0.00 O ATOM 1037 CB GLN A 69 -3.071 7.860 -14.151 1.00 0.00 C ATOM 1038 CG GLN A 69 -1.799 8.572 -13.704 1.00 0.00 C ATOM 1039 CD GLN A 69 -0.530 7.937 -14.251 1.00 0.00 C ATOM 1040 OE1 GLN A 69 -0.552 6.627 -14.443 1.00 0.00 O flip ATOM 1041 NE2 GLN A 69 0.466 8.618 -14.485 1.00 0.00 N flip ATOM 0 H GLN A 69 -5.981 8.065 -14.769 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.261 8.292 -12.428 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.985 6.800 -13.914 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.158 7.939 -15.235 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.843 9.613 -14.023 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.756 8.574 -12.615 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.444 9.625 -14.324 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.314 8.176 -14.840 1.00 0.00 H new ATOM 1050 N SER A 70 -4.257 10.721 -12.836 1.00 0.00 N ATOM 1051 CA SER A 70 -4.365 12.158 -12.989 1.00 0.00 C ATOM 1052 C SER A 70 -3.862 12.849 -11.732 1.00 0.00 C ATOM 1053 O SER A 70 -3.770 12.231 -10.671 1.00 0.00 O ATOM 1054 CB SER A 70 -5.821 12.549 -13.249 1.00 0.00 C ATOM 1055 OG SER A 70 -5.950 13.936 -13.524 1.00 0.00 O ATOM 0 H SER A 70 -3.977 10.421 -11.902 1.00 0.00 H new ATOM 0 HA SER A 70 -3.757 12.471 -13.838 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.208 11.974 -14.090 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.428 12.292 -12.381 1.00 0.00 H new ATOM 0 HG SER A 70 -6.797 14.100 -13.989 1.00 0.00 H new ATOM 1061 N THR A 71 -3.529 14.121 -11.860 1.00 0.00 N ATOM 1062 CA THR A 71 -3.139 14.919 -10.717 1.00 0.00 C ATOM 1063 C THR A 71 -4.374 15.482 -10.030 1.00 0.00 C ATOM 1064 O THR A 71 -4.426 15.595 -8.809 1.00 0.00 O ATOM 1065 CB THR A 71 -2.193 16.065 -11.134 1.00 0.00 C ATOM 1066 OG1 THR A 71 -1.887 16.898 -10.007 1.00 0.00 O ATOM 1067 CG2 THR A 71 -2.797 16.906 -12.251 1.00 0.00 C ATOM 0 H THR A 71 -3.522 14.623 -12.748 1.00 0.00 H new ATOM 0 HA THR A 71 -2.602 14.276 -10.020 1.00 0.00 H new ATOM 0 HB THR A 71 -1.273 15.614 -11.507 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.285 17.619 -10.287 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.105 17.704 -12.521 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.982 16.276 -13.121 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.737 17.340 -11.912 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.369 15.817 -10.832 1.00 0.00 N ATOM 1076 CA ASP A 72 -6.623 16.358 -10.315 1.00 0.00 C ATOM 1077 C ASP A 72 -7.685 15.273 -10.264 1.00 0.00 C ATOM 1078 O ASP A 72 -8.457 15.184 -9.307 1.00 0.00 O ATOM 1079 CB ASP A 72 -7.113 17.530 -11.170 1.00 0.00 C ATOM 1080 CG ASP A 72 -6.289 18.784 -10.971 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -5.260 18.940 -11.658 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -6.674 19.629 -10.134 1.00 0.00 O ATOM 0 H ASP A 72 -5.337 15.725 -11.847 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.439 16.725 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.084 17.244 -12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.154 17.742 -10.926 1.00 0.00 H new ATOM 1087 N GLY A 73 -7.701 14.436 -11.290 1.00 0.00 N ATOM 1088 CA GLY A 73 -8.644 13.338 -11.345 1.00 0.00 C ATOM 1089 C GLY A 73 -8.196 12.172 -10.488 1.00 0.00 C ATOM 1090 O GLY A 73 -8.908 11.173 -10.372 1.00 0.00 O ATOM 0 H GLY A 73 -7.073 14.498 -12.091 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.623 13.681 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.759 13.008 -12.377 1.00 0.00 H new ATOM 1094 N SER A 74 -7.009 12.316 -9.891 1.00 0.00 N ATOM 1095 CA SER A 74 -6.445 11.315 -8.993 1.00 0.00 C ATOM 1096 C SER A 74 -6.090 10.028 -9.744 1.00 0.00 C ATOM 1097 O SER A 74 -6.441 9.847 -10.912 1.00 0.00 O ATOM 1098 CB SER A 74 -7.433 11.030 -7.848 1.00 0.00 C ATOM 1099 OG SER A 74 -6.901 10.128 -6.894 1.00 0.00 O ATOM 0 H SER A 74 -6.414 13.134 -10.020 1.00 0.00 H new ATOM 0 HA SER A 74 -5.520 11.709 -8.573 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.694 11.966 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.355 10.619 -8.260 1.00 0.00 H new ATOM 0 HG SER A 74 -7.560 9.976 -6.184 1.00 0.00 H new ATOM 1105 N ILE A 75 -5.362 9.152 -9.076 1.00 0.00 N ATOM 1106 CA ILE A 75 -4.993 7.870 -9.647 1.00 0.00 C ATOM 1107 C ILE A 75 -5.793 6.761 -8.982 1.00 0.00 C ATOM 1108 O ILE A 75 -5.984 6.765 -7.769 1.00 0.00 O ATOM 1109 CB ILE A 75 -3.488 7.568 -9.464 1.00 0.00 C ATOM 1110 CG1 ILE A 75 -2.632 8.699 -10.034 1.00 0.00 C ATOM 1111 CG2 ILE A 75 -3.120 6.240 -10.118 1.00 0.00 C ATOM 1112 CD1 ILE A 75 -1.150 8.397 -10.011 1.00 0.00 C ATOM 0 H ILE A 75 -5.012 9.307 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.210 7.916 -10.714 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.288 7.493 -8.395 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.940 8.896 -11.061 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.819 9.609 -9.465 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.056 6.047 -9.977 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.698 5.437 -9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.342 6.286 -11.184 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.600 9.240 -10.429 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.829 8.229 -8.983 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.951 7.504 -10.604 1.00 0.00 H new ATOM 1124 N GLU A 76 -6.279 5.831 -9.778 1.00 0.00 N ATOM 1125 CA GLU A 76 -6.970 4.678 -9.246 1.00 0.00 C ATOM 1126 C GLU A 76 -6.274 3.419 -9.724 1.00 0.00 C ATOM 1127 O GLU A 76 -6.015 3.259 -10.918 1.00 0.00 O ATOM 1128 CB GLU A 76 -8.439 4.666 -9.664 1.00 0.00 C ATOM 1129 CG GLU A 76 -9.277 3.708 -8.828 1.00 0.00 C ATOM 1130 CD GLU A 76 -10.761 3.812 -9.096 1.00 0.00 C ATOM 1131 OE1 GLU A 76 -11.225 3.266 -10.112 1.00 0.00 O ATOM 1132 OE2 GLU A 76 -11.477 4.411 -8.266 1.00 0.00 O ATOM 0 H GLU A 76 -6.208 5.852 -10.795 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.942 4.724 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.847 5.673 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.512 4.385 -10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.951 2.687 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.092 3.904 -7.772 1.00 0.00 H new ATOM 1139 N ILE A 77 -5.951 2.543 -8.793 1.00 0.00 N ATOM 1140 CA ILE A 77 -5.232 1.328 -9.115 1.00 0.00 C ATOM 1141 C ILE A 77 -6.022 0.112 -8.677 1.00 0.00 C ATOM 1142 O ILE A 77 -6.897 0.205 -7.824 1.00 0.00 O ATOM 1143 CB ILE A 77 -3.829 1.285 -8.472 1.00 0.00 C ATOM 1144 CG1 ILE A 77 -3.921 1.455 -6.953 1.00 0.00 C ATOM 1145 CG2 ILE A 77 -2.937 2.359 -9.076 1.00 0.00 C ATOM 1146 CD1 ILE A 77 -2.594 1.306 -6.237 1.00 0.00 C ATOM 0 H ILE A 77 -6.176 2.651 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.104 1.318 -10.197 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.388 0.310 -8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.334 2.439 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.621 0.720 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.951 2.316 -8.613 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.841 2.192 -10.149 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.378 3.340 -8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.742 1.440 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.188 0.312 -6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.896 2.059 -6.604 1.00 0.00 H new ATOM 1158 N GLN A 78 -5.724 -1.019 -9.276 1.00 0.00 N ATOM 1159 CA GLN A 78 -6.415 -2.255 -8.961 1.00 0.00 C ATOM 1160 C GLN A 78 -5.403 -3.370 -8.772 1.00 0.00 C ATOM 1161 O GLN A 78 -4.440 -3.469 -9.533 1.00 0.00 O ATOM 1162 CB GLN A 78 -7.395 -2.587 -10.086 1.00 0.00 C ATOM 1163 CG GLN A 78 -8.195 -3.856 -9.872 1.00 0.00 C ATOM 1164 CD GLN A 78 -9.364 -3.945 -10.830 1.00 0.00 C ATOM 1165 OE1 GLN A 78 -9.239 -4.462 -11.939 1.00 0.00 O ATOM 1166 NE2 GLN A 78 -10.516 -3.452 -10.399 1.00 0.00 N ATOM 0 H GLN A 78 -5.002 -1.111 -9.990 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.977 -2.143 -8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.087 -1.753 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.839 -2.677 -11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.547 -4.722 -10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.561 -3.887 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.576 -3.032 -9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.343 -3.493 -10.995 1.00 0.00 H new ATOM 1175 N TYR A 79 -5.604 -4.187 -7.754 1.00 0.00 N ATOM 1176 CA TYR A 79 -4.682 -5.267 -7.465 1.00 0.00 C ATOM 1177 C TYR A 79 -4.951 -6.453 -8.376 1.00 0.00 C ATOM 1178 O TYR A 79 -6.076 -6.663 -8.831 1.00 0.00 O ATOM 1179 CB TYR A 79 -4.785 -5.695 -6.000 1.00 0.00 C ATOM 1180 CG TYR A 79 -4.405 -4.612 -5.016 1.00 0.00 C ATOM 1181 CD1 TYR A 79 -3.093 -4.169 -4.914 1.00 0.00 C ATOM 1182 CD2 TYR A 79 -5.357 -4.044 -4.180 1.00 0.00 C ATOM 1183 CE1 TYR A 79 -2.740 -3.188 -4.009 1.00 0.00 C ATOM 1184 CE2 TYR A 79 -5.013 -3.061 -3.272 1.00 0.00 C ATOM 1185 CZ TYR A 79 -3.702 -2.636 -3.189 1.00 0.00 C ATOM 1186 OH TYR A 79 -3.351 -1.655 -2.288 1.00 0.00 O ATOM 0 H TYR A 79 -6.397 -4.122 -7.115 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.670 -4.905 -7.647 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.807 -6.015 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.142 -6.560 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.336 -4.599 -5.553 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.383 -4.376 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.715 -2.854 -3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.766 -2.627 -2.630 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.112 -1.055 -2.145 1.00 0.00 H new ATOM 1196 N LEU A 80 -3.905 -7.203 -8.660 1.00 0.00 N ATOM 1197 CA LEU A 80 -4.021 -8.406 -9.461 1.00 0.00 C ATOM 1198 C LEU A 80 -3.784 -9.631 -8.592 1.00 0.00 C ATOM 1199 O LEU A 80 -3.661 -9.516 -7.371 1.00 0.00 O ATOM 1200 CB LEU A 80 -3.033 -8.363 -10.626 1.00 0.00 C ATOM 1201 CG LEU A 80 -3.278 -7.239 -11.637 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -2.197 -7.242 -12.709 1.00 0.00 C ATOM 1203 CD2 LEU A 80 -4.654 -7.382 -12.267 1.00 0.00 C ATOM 0 H LEU A 80 -2.957 -6.998 -8.345 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.028 -8.466 -9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.025 -8.258 -10.225 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.070 -9.318 -11.150 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.238 -6.286 -11.110 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.387 -6.437 -13.419 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.223 -7.093 -12.244 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.207 -8.198 -13.233 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.812 -6.575 -12.983 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.721 -8.341 -12.780 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.417 -7.332 -11.490 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.717 -10.802 -9.207 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.589 -12.013 -8.431 1.00 0.00 C ATOM 1217 C GLY A 81 -4.902 -12.369 -7.774 1.00 0.00 C ATOM 1218 O GLY A 81 -5.962 -12.042 -8.306 1.00 0.00 O ATOM 0 H GLY A 81 -3.749 -10.933 -10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.266 -12.831 -9.075 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.819 -11.883 -7.670 1.00 0.00 H new ATOM 1222 N PRO A 82 -4.877 -13.056 -6.624 1.00 0.00 N ATOM 1223 CA PRO A 82 -6.096 -13.346 -5.859 1.00 0.00 C ATOM 1224 C PRO A 82 -6.819 -12.066 -5.435 1.00 0.00 C ATOM 1225 O PRO A 82 -8.000 -12.089 -5.091 1.00 0.00 O ATOM 1226 CB PRO A 82 -5.584 -14.105 -4.629 1.00 0.00 C ATOM 1227 CG PRO A 82 -4.246 -14.625 -5.027 1.00 0.00 C ATOM 1228 CD PRO A 82 -3.678 -13.614 -5.983 1.00 0.00 C ATOM 0 HA PRO A 82 -6.821 -13.911 -6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.510 -13.448 -3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.258 -14.917 -4.357 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.600 -14.746 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.332 -15.604 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.103 -12.847 -5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.010 -14.076 -6.710 1.00 0.00 H new ATOM 1236 N TYR A 83 -6.105 -10.943 -5.490 1.00 0.00 N ATOM 1237 CA TYR A 83 -6.643 -9.656 -5.073 1.00 0.00 C ATOM 1238 C TYR A 83 -7.222 -8.902 -6.268 1.00 0.00 C ATOM 1239 O TYR A 83 -7.412 -7.691 -6.203 1.00 0.00 O ATOM 1240 CB TYR A 83 -5.544 -8.807 -4.424 1.00 0.00 C ATOM 1241 CG TYR A 83 -4.718 -9.545 -3.395 1.00 0.00 C ATOM 1242 CD1 TYR A 83 -5.155 -9.678 -2.086 1.00 0.00 C ATOM 1243 CD2 TYR A 83 -3.494 -10.106 -3.740 1.00 0.00 C ATOM 1244 CE1 TYR A 83 -4.398 -10.352 -1.149 1.00 0.00 C ATOM 1245 CE2 TYR A 83 -2.733 -10.779 -2.809 1.00 0.00 C ATOM 1246 CZ TYR A 83 -3.187 -10.901 -1.516 1.00 0.00 C ATOM 1247 OH TYR A 83 -2.426 -11.572 -0.586 1.00 0.00 O ATOM 0 H TYR A 83 -5.142 -10.903 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.437 -9.840 -4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.882 -8.432 -5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.003 -7.939 -3.951 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.102 -9.248 -1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.134 -10.013 -4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.752 -10.449 -0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.784 -11.209 -3.093 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.604 -11.897 -1.009 1.00 0.00 H new ATOM 1257 N TYR A 84 -7.508 -9.630 -7.348 1.00 0.00 N ATOM 1258 CA TYR A 84 -8.032 -9.030 -8.571 1.00 0.00 C ATOM 1259 C TYR A 84 -9.355 -8.304 -8.288 1.00 0.00 C ATOM 1260 O TYR A 84 -9.974 -8.552 -7.250 1.00 0.00 O ATOM 1261 CB TYR A 84 -8.142 -10.101 -9.679 1.00 0.00 C ATOM 1262 CG TYR A 84 -9.288 -11.088 -9.548 1.00 0.00 C ATOM 1263 CD1 TYR A 84 -9.351 -12.003 -8.504 1.00 0.00 C ATOM 1264 CD2 TYR A 84 -10.301 -11.110 -10.497 1.00 0.00 C ATOM 1265 CE1 TYR A 84 -10.396 -12.907 -8.414 1.00 0.00 C ATOM 1266 CE2 TYR A 84 -11.342 -12.007 -10.415 1.00 0.00 C ATOM 1267 CZ TYR A 84 -11.389 -12.903 -9.374 1.00 0.00 C ATOM 1268 OH TYR A 84 -12.429 -13.801 -9.300 1.00 0.00 O ATOM 0 H TYR A 84 -7.384 -10.641 -7.398 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.342 -8.270 -8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.236 -9.592 -10.638 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.208 -10.662 -9.706 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.575 -12.009 -7.753 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.272 -10.408 -11.317 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.434 -13.612 -7.597 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.119 -12.007 -11.166 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.038 -13.659 -10.054 1.00 0.00 H new ATOM 1278 N PRO A 85 -9.867 -7.522 -9.269 1.00 0.00 N ATOM 1279 CA PRO A 85 -10.672 -6.321 -9.129 1.00 0.00 C ATOM 1280 C PRO A 85 -10.832 -5.613 -7.764 1.00 0.00 C ATOM 1281 O PRO A 85 -11.514 -4.586 -7.700 1.00 0.00 O ATOM 1282 CB PRO A 85 -11.956 -6.798 -9.771 1.00 0.00 C ATOM 1283 CG PRO A 85 -11.439 -7.608 -10.946 1.00 0.00 C ATOM 1284 CD PRO A 85 -9.948 -7.845 -10.689 1.00 0.00 C ATOM 0 HA PRO A 85 -10.173 -5.464 -9.582 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -12.553 -7.404 -9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.584 -5.968 -10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.973 -8.554 -11.030 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -11.591 -7.072 -11.883 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.650 -8.872 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.315 -7.199 -11.298 1.00 0.00 H new ATOM 1292 N LEU A 86 -10.234 -6.112 -6.694 1.00 0.00 N ATOM 1293 CA LEU A 86 -10.113 -5.330 -5.471 1.00 0.00 C ATOM 1294 C LEU A 86 -9.174 -4.153 -5.745 1.00 0.00 C ATOM 1295 O LEU A 86 -7.996 -4.348 -6.050 1.00 0.00 O ATOM 1296 CB LEU A 86 -9.571 -6.193 -4.324 1.00 0.00 C ATOM 1297 CG LEU A 86 -9.405 -5.472 -2.984 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -10.750 -4.997 -2.457 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -8.725 -6.386 -1.976 1.00 0.00 C ATOM 0 H LEU A 86 -9.828 -7.046 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.094 -4.963 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.241 -7.041 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.604 -6.598 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.775 -4.596 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.608 -4.487 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.199 -4.309 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.409 -5.854 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.613 -5.862 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.332 -7.279 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.742 -6.673 -2.350 1.00 0.00 H new ATOM 1311 N LYS A 87 -9.692 -2.936 -5.662 1.00 0.00 N ATOM 1312 CA LYS A 87 -8.934 -1.776 -6.111 1.00 0.00 C ATOM 1313 C LYS A 87 -8.448 -0.915 -4.947 1.00 0.00 C ATOM 1314 O LYS A 87 -8.694 -1.217 -3.780 1.00 0.00 O ATOM 1315 CB LYS A 87 -9.778 -0.926 -7.066 1.00 0.00 C ATOM 1316 CG LYS A 87 -10.955 -0.233 -6.402 1.00 0.00 C ATOM 1317 CD LYS A 87 -11.645 0.724 -7.359 1.00 0.00 C ATOM 1318 CE LYS A 87 -12.666 1.586 -6.640 1.00 0.00 C ATOM 1319 NZ LYS A 87 -13.290 2.589 -7.542 1.00 0.00 N ATOM 0 H LYS A 87 -10.620 -2.727 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.054 -2.152 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.139 -0.173 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.150 -1.562 -7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.669 -0.979 -6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.610 0.313 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.901 1.361 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.137 0.158 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.442 0.949 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.184 2.099 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.265 2.776 -7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.742 3.472 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.301 2.222 -8.515 1.00 0.00 H new ATOM 1333 N SER A 88 -7.752 0.154 -5.302 1.00 0.00 N ATOM 1334 CA SER A 88 -7.210 1.109 -4.353 1.00 0.00 C ATOM 1335 C SER A 88 -7.112 2.474 -5.037 1.00 0.00 C ATOM 1336 O SER A 88 -7.220 2.563 -6.260 1.00 0.00 O ATOM 1337 CB SER A 88 -5.833 0.637 -3.875 1.00 0.00 C ATOM 1338 OG SER A 88 -5.252 1.548 -2.969 1.00 0.00 O ATOM 0 H SER A 88 -7.546 0.384 -6.274 1.00 0.00 H new ATOM 0 HA SER A 88 -7.860 1.191 -3.482 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.929 -0.339 -3.398 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.174 0.509 -4.734 1.00 0.00 H new ATOM 0 HG SER A 88 -5.887 1.744 -2.249 1.00 0.00 H new ATOM 1344 N THR A 89 -6.926 3.531 -4.268 1.00 0.00 N ATOM 1345 CA THR A 89 -6.851 4.865 -4.835 1.00 0.00 C ATOM 1346 C THR A 89 -5.585 5.586 -4.384 1.00 0.00 C ATOM 1347 O THR A 89 -5.150 5.450 -3.242 1.00 0.00 O ATOM 1348 CB THR A 89 -8.072 5.708 -4.437 1.00 0.00 C ATOM 1349 OG1 THR A 89 -9.263 4.908 -4.500 1.00 0.00 O ATOM 1350 CG2 THR A 89 -8.230 6.916 -5.352 1.00 0.00 C ATOM 0 H THR A 89 -6.824 3.493 -3.254 1.00 0.00 H new ATOM 0 HA THR A 89 -6.832 4.748 -5.918 1.00 0.00 H new ATOM 0 HB THR A 89 -7.916 6.061 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 89 -10.037 5.452 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.102 7.493 -5.045 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.340 7.541 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.361 6.579 -6.380 1.00 0.00 H new ATOM 1358 N LEU A 90 -5.009 6.347 -5.294 1.00 0.00 N ATOM 1359 CA LEU A 90 -3.821 7.141 -5.016 1.00 0.00 C ATOM 1360 C LEU A 90 -4.102 8.600 -5.350 1.00 0.00 C ATOM 1361 O LEU A 90 -4.449 8.927 -6.482 1.00 0.00 O ATOM 1362 CB LEU A 90 -2.627 6.642 -5.838 1.00 0.00 C ATOM 1363 CG LEU A 90 -2.114 5.248 -5.479 1.00 0.00 C ATOM 1364 CD1 LEU A 90 -1.011 4.824 -6.435 1.00 0.00 C ATOM 1365 CD2 LEU A 90 -1.609 5.226 -4.047 1.00 0.00 C ATOM 0 H LEU A 90 -5.350 6.435 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.573 7.044 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.907 6.646 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.808 7.352 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.939 4.541 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.658 3.829 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.399 4.807 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.184 5.532 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.247 4.227 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.796 5.944 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.421 5.491 -3.371 1.00 0.00 H new ATOM 1377 N LYS A 91 -3.940 9.468 -4.373 1.00 0.00 N ATOM 1378 CA LYS A 91 -4.310 10.860 -4.519 1.00 0.00 C ATOM 1379 C LYS A 91 -3.191 11.752 -4.004 1.00 0.00 C ATOM 1380 O LYS A 91 -2.362 11.316 -3.214 1.00 0.00 O ATOM 1381 CB LYS A 91 -5.599 11.086 -3.741 1.00 0.00 C ATOM 1382 CG LYS A 91 -6.324 12.375 -4.052 1.00 0.00 C ATOM 1383 CD LYS A 91 -7.707 12.365 -3.416 1.00 0.00 C ATOM 1384 CE LYS A 91 -8.538 11.198 -3.937 1.00 0.00 C ATOM 1385 NZ LYS A 91 -9.695 10.884 -3.059 1.00 0.00 N ATOM 0 H LYS A 91 -3.551 9.230 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.470 11.110 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.273 10.253 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.369 11.066 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.750 13.223 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.413 12.500 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.613 12.294 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.217 13.304 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.899 11.432 -4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.904 10.316 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.519 10.639 -3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.456 10.080 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.921 11.713 -2.473 1.00 0.00 H new ATOM 1399 N ARG A 92 -3.163 12.995 -4.446 1.00 0.00 N ATOM 1400 CA ARG A 92 -2.069 13.892 -4.107 1.00 0.00 C ATOM 1401 C ARG A 92 -2.343 14.655 -2.817 1.00 0.00 C ATOM 1402 O ARG A 92 -3.495 14.881 -2.442 1.00 0.00 O ATOM 1403 CB ARG A 92 -1.814 14.885 -5.236 1.00 0.00 C ATOM 1404 CG ARG A 92 -2.985 15.802 -5.505 1.00 0.00 C ATOM 1405 CD ARG A 92 -2.624 16.892 -6.502 1.00 0.00 C ATOM 1406 NE ARG A 92 -3.786 17.697 -6.867 1.00 0.00 N ATOM 1407 CZ ARG A 92 -3.741 18.995 -7.169 1.00 0.00 C ATOM 1408 NH1 ARG A 92 -2.599 19.671 -7.082 1.00 0.00 N ATOM 1409 NH2 ARG A 92 -4.846 19.625 -7.537 1.00 0.00 N ATOM 0 H ARG A 92 -3.882 13.408 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.184 13.273 -3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.940 15.487 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.576 14.335 -6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.823 15.220 -5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.314 16.257 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.855 17.536 -6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.199 16.439 -7.398 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.695 17.235 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.747 19.197 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.575 20.664 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.729 19.117 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.814 20.618 -7.768 1.00 0.00 H new ATOM 1423 N GLY A 93 -1.270 15.040 -2.146 1.00 0.00 N ATOM 1424 CA GLY A 93 -1.371 15.874 -0.982 1.00 0.00 C ATOM 1425 C GLY A 93 -0.824 17.253 -1.258 1.00 0.00 C ATOM 1426 O GLY A 93 -0.074 17.453 -2.215 1.00 0.00 O ATOM 0 H GLY A 93 -0.316 14.781 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.413 15.947 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.824 15.420 -0.156 1.00 0.00 H new ATOM 1430 N GLU A 94 -1.187 18.194 -0.416 1.00 0.00 N ATOM 1431 CA GLU A 94 -0.843 19.590 -0.620 1.00 0.00 C ATOM 1432 C GLU A 94 0.528 19.939 -0.043 1.00 0.00 C ATOM 1433 O GLU A 94 1.056 21.022 -0.297 1.00 0.00 O ATOM 1434 CB GLU A 94 -1.911 20.467 0.023 1.00 0.00 C ATOM 1435 CG GLU A 94 -3.284 20.332 -0.614 1.00 0.00 C ATOM 1436 CD GLU A 94 -4.357 21.068 0.162 1.00 0.00 C ATOM 1437 OE1 GLU A 94 -4.340 22.316 0.174 1.00 0.00 O ATOM 1438 OE2 GLU A 94 -5.220 20.403 0.777 1.00 0.00 O ATOM 0 H GLU A 94 -1.729 18.017 0.430 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.797 19.770 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.986 20.215 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.595 21.509 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.248 20.717 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.548 19.277 -0.681 1.00 0.00 H new ATOM 1445 N ASN A 95 1.107 19.027 0.727 1.00 0.00 N ATOM 1446 CA ASN A 95 2.368 19.307 1.410 1.00 0.00 C ATOM 1447 C ASN A 95 3.380 18.190 1.178 1.00 0.00 C ATOM 1448 O ASN A 95 3.977 17.672 2.126 1.00 0.00 O ATOM 1449 CB ASN A 95 2.127 19.495 2.916 1.00 0.00 C ATOM 1450 CG ASN A 95 1.188 20.649 3.223 1.00 0.00 C ATOM 1451 OD1 ASN A 95 1.618 21.796 3.377 1.00 0.00 O ATOM 1452 ND2 ASN A 95 -0.099 20.350 3.334 1.00 0.00 N ATOM 0 H ASN A 95 0.730 18.094 0.895 1.00 0.00 H new ATOM 0 HA ASN A 95 2.777 20.228 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.713 18.576 3.330 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.082 19.667 3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.775 21.081 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.413 19.389 3.199 1.00 0.00 H new ATOM 1459 N GLY A 96 3.582 17.832 -0.088 1.00 0.00 N ATOM 1460 CA GLY A 96 4.509 16.763 -0.426 1.00 0.00 C ATOM 1461 C GLY A 96 4.004 15.412 0.038 1.00 0.00 C ATOM 1462 O GLY A 96 4.784 14.499 0.317 1.00 0.00 O ATOM 0 H GLY A 96 3.119 18.264 -0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.662 16.743 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.478 16.965 0.030 1.00 0.00 H new ATOM 1466 N THR A 97 2.694 15.292 0.121 1.00 0.00 N ATOM 1467 CA THR A 97 2.063 14.094 0.633 1.00 0.00 C ATOM 1468 C THR A 97 1.378 13.293 -0.467 1.00 0.00 C ATOM 1469 O THR A 97 1.095 13.809 -1.549 1.00 0.00 O ATOM 1470 CB THR A 97 1.037 14.454 1.726 1.00 0.00 C ATOM 1471 OG1 THR A 97 0.527 15.782 1.503 1.00 0.00 O ATOM 1472 CG2 THR A 97 1.660 14.367 3.109 1.00 0.00 C ATOM 0 H THR A 97 2.039 16.020 -0.164 1.00 0.00 H new ATOM 0 HA THR A 97 2.851 13.473 1.059 1.00 0.00 H new ATOM 0 HB THR A 97 0.218 13.737 1.673 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.125 16.003 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.914 14.626 3.861 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.015 13.352 3.285 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.498 15.061 3.175 1.00 0.00 H new ATOM 1480 N LEU A 98 1.139 12.022 -0.186 1.00 0.00 N ATOM 1481 CA LEU A 98 0.355 11.171 -1.059 1.00 0.00 C ATOM 1482 C LEU A 98 -0.731 10.498 -0.235 1.00 0.00 C ATOM 1483 O LEU A 98 -0.473 10.020 0.871 1.00 0.00 O ATOM 1484 CB LEU A 98 1.236 10.111 -1.732 1.00 0.00 C ATOM 1485 CG LEU A 98 0.582 9.349 -2.890 1.00 0.00 C ATOM 1486 CD1 LEU A 98 0.401 10.259 -4.095 1.00 0.00 C ATOM 1487 CD2 LEU A 98 1.410 8.134 -3.270 1.00 0.00 C ATOM 0 H LEU A 98 1.483 11.554 0.653 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.092 11.780 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.139 10.596 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.549 9.390 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.400 9.009 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.065 9.700 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.235 11.101 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.373 10.629 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.927 7.608 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.406 8.454 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.492 7.467 -2.412 1.00 0.00 H new ATOM 1499 N ILE A 99 -1.940 10.486 -0.754 1.00 0.00 N ATOM 1500 CA ILE A 99 -3.058 9.884 -0.061 1.00 0.00 C ATOM 1501 C ILE A 99 -3.405 8.548 -0.695 1.00 0.00 C ATOM 1502 O ILE A 99 -3.855 8.488 -1.837 1.00 0.00 O ATOM 1503 CB ILE A 99 -4.292 10.811 -0.076 1.00 0.00 C ATOM 1504 CG1 ILE A 99 -3.940 12.157 0.562 1.00 0.00 C ATOM 1505 CG2 ILE A 99 -5.459 10.158 0.652 1.00 0.00 C ATOM 1506 CD1 ILE A 99 -5.053 13.181 0.485 1.00 0.00 C ATOM 0 H ILE A 99 -2.174 10.890 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.766 9.727 0.977 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.593 10.982 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.680 11.995 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.054 12.560 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.320 10.826 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.716 9.220 0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.178 9.960 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.728 14.108 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.299 13.373 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.934 12.800 1.001 1.00 0.00 H new ATOM 1518 N TRP A 100 -3.165 7.482 0.047 1.00 0.00 N ATOM 1519 CA TRP A 100 -3.417 6.135 -0.431 1.00 0.00 C ATOM 1520 C TRP A 100 -4.688 5.584 0.210 1.00 0.00 C ATOM 1521 O TRP A 100 -4.728 5.333 1.410 1.00 0.00 O ATOM 1522 CB TRP A 100 -2.207 5.249 -0.095 1.00 0.00 C ATOM 1523 CG TRP A 100 -2.325 3.822 -0.539 1.00 0.00 C ATOM 1524 CD1 TRP A 100 -3.170 3.313 -1.482 1.00 0.00 C ATOM 1525 CD2 TRP A 100 -1.547 2.718 -0.062 1.00 0.00 C ATOM 1526 NE1 TRP A 100 -2.975 1.964 -1.609 1.00 0.00 N ATOM 1527 CE2 TRP A 100 -1.984 1.573 -0.750 1.00 0.00 C ATOM 1528 CE3 TRP A 100 -0.528 2.587 0.886 1.00 0.00 C ATOM 1529 CZ2 TRP A 100 -1.433 0.313 -0.528 1.00 0.00 C ATOM 1530 CZ3 TRP A 100 0.018 1.336 1.106 1.00 0.00 C ATOM 1531 CH2 TRP A 100 -0.436 0.214 0.403 1.00 0.00 C ATOM 0 H TRP A 100 -2.791 7.525 0.995 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.560 6.145 -1.512 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -1.319 5.684 -0.553 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -2.051 5.267 0.984 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -3.888 3.890 -2.046 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.486 1.349 -2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.174 3.446 1.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.780 -0.554 -1.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 0.809 1.223 1.833 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.010 -0.750 0.600 1.00 0.00 H new ATOM 1542 N GLU A 101 -5.725 5.399 -0.587 1.00 0.00 N ATOM 1543 CA GLU A 101 -6.987 4.894 -0.070 1.00 0.00 C ATOM 1544 C GLU A 101 -7.126 3.423 -0.370 1.00 0.00 C ATOM 1545 O GLU A 101 -6.922 2.975 -1.499 1.00 0.00 O ATOM 1546 CB GLU A 101 -8.156 5.653 -0.680 1.00 0.00 C ATOM 1547 CG GLU A 101 -8.441 6.978 -0.003 1.00 0.00 C ATOM 1548 CD GLU A 101 -9.482 7.799 -0.741 1.00 0.00 C ATOM 1549 OE1 GLU A 101 -10.658 7.374 -0.783 1.00 0.00 O ATOM 1550 OE2 GLU A 101 -9.136 8.877 -1.272 1.00 0.00 O ATOM 0 H GLU A 101 -5.720 5.589 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.995 5.040 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.951 5.831 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.049 5.030 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.783 6.795 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.517 7.551 0.070 1.00 0.00 H new ATOM 1557 N GLN A 102 -7.483 2.683 0.647 1.00 0.00 N ATOM 1558 CA GLN A 102 -7.639 1.248 0.519 1.00 0.00 C ATOM 1559 C GLN A 102 -8.648 0.736 1.532 1.00 0.00 C ATOM 1560 O GLN A 102 -8.491 0.956 2.737 1.00 0.00 O ATOM 1561 CB GLN A 102 -6.285 0.546 0.701 1.00 0.00 C ATOM 1562 CG GLN A 102 -6.176 -0.813 0.013 1.00 0.00 C ATOM 1563 CD GLN A 102 -6.844 -1.947 0.768 1.00 0.00 C ATOM 1564 OE1 GLN A 102 -6.916 -1.941 1.994 1.00 0.00 O ATOM 1565 NE2 GLN A 102 -7.327 -2.938 0.033 1.00 0.00 N ATOM 0 H GLN A 102 -7.673 3.048 1.580 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.011 1.024 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.499 1.197 0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.099 0.415 1.767 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.619 -0.742 -0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.122 -1.054 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.247 -2.905 -0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.779 -3.734 0.484 1.00 0.00 H new ATOM 1574 N ASN A 103 -9.704 0.107 1.023 1.00 0.00 N ATOM 1575 CA ASN A 103 -10.638 -0.677 1.836 1.00 0.00 C ATOM 1576 C ASN A 103 -11.590 0.198 2.646 1.00 0.00 C ATOM 1577 O ASN A 103 -12.809 0.041 2.564 1.00 0.00 O ATOM 1578 CB ASN A 103 -9.852 -1.614 2.756 1.00 0.00 C ATOM 1579 CG ASN A 103 -10.494 -2.973 2.919 1.00 0.00 C ATOM 1580 OD1 ASN A 103 -11.709 -3.094 3.080 1.00 0.00 O ATOM 1581 ND2 ASN A 103 -9.672 -4.011 2.836 1.00 0.00 N ATOM 0 H ASN A 103 -9.940 0.125 0.031 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.258 -1.261 1.156 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.845 -1.741 2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.751 -1.148 3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.040 -4.960 2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.672 -3.860 2.702 1.00 0.00 H new ATOM 1588 N GLY A 104 -11.044 1.116 3.418 1.00 0.00 N ATOM 1589 CA GLY A 104 -11.877 1.948 4.258 1.00 0.00 C ATOM 1590 C GLY A 104 -11.221 3.246 4.695 1.00 0.00 C ATOM 1591 O GLY A 104 -11.919 4.220 4.985 1.00 0.00 O ATOM 0 H GLY A 104 -10.043 1.302 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.796 2.181 3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.161 1.381 5.145 1.00 0.00 H new ATOM 1595 N GLN A 105 -9.895 3.287 4.738 1.00 0.00 N ATOM 1596 CA GLN A 105 -9.206 4.455 5.273 1.00 0.00 C ATOM 1597 C GLN A 105 -8.299 5.082 4.230 1.00 0.00 C ATOM 1598 O GLN A 105 -7.840 4.408 3.304 1.00 0.00 O ATOM 1599 CB GLN A 105 -8.381 4.101 6.512 1.00 0.00 C ATOM 1600 CG GLN A 105 -7.234 3.150 6.228 1.00 0.00 C ATOM 1601 CD GLN A 105 -6.231 3.090 7.363 1.00 0.00 C ATOM 1602 OE1 GLN A 105 -5.262 3.850 7.390 1.00 0.00 O ATOM 1603 NE2 GLN A 105 -6.456 2.195 8.309 1.00 0.00 N ATOM 0 H GLN A 105 -9.283 2.538 4.414 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.976 5.173 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.982 5.018 6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.037 3.653 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.631 2.151 6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.726 3.462 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.271 1.584 8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.815 2.115 9.099 1.00 0.00 H new ATOM 1612 N ARG A 106 -8.071 6.378 4.363 1.00 0.00 N ATOM 1613 CA ARG A 106 -7.107 7.056 3.540 1.00 0.00 C ATOM 1614 C ARG A 106 -5.774 7.137 4.278 1.00 0.00 C ATOM 1615 O ARG A 106 -5.711 7.577 5.429 1.00 0.00 O ATOM 1616 CB ARG A 106 -7.602 8.460 3.173 1.00 0.00 C ATOM 1617 CG ARG A 106 -7.705 9.421 4.347 1.00 0.00 C ATOM 1618 CD ARG A 106 -7.914 10.857 3.888 1.00 0.00 C ATOM 1619 NE ARG A 106 -7.688 11.805 4.978 1.00 0.00 N ATOM 1620 CZ ARG A 106 -7.357 13.085 4.807 1.00 0.00 C ATOM 1621 NH1 ARG A 106 -7.296 13.608 3.589 1.00 0.00 N ATOM 1622 NH2 ARG A 106 -7.112 13.851 5.864 1.00 0.00 N ATOM 0 H ARG A 106 -8.547 6.976 5.038 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.971 6.494 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.928 8.886 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.582 8.374 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.533 9.121 4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.797 9.360 4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.236 11.079 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.928 10.974 3.506 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.791 11.464 5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.503 13.030 2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.042 14.588 3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.177 13.460 6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.859 14.831 5.736 1.00 0.00 H new ATOM 1636 N LYS A 107 -4.721 6.673 3.639 1.00 0.00 N ATOM 1637 CA LYS A 107 -3.384 6.810 4.181 1.00 0.00 C ATOM 1638 C LYS A 107 -2.774 8.124 3.744 1.00 0.00 C ATOM 1639 O LYS A 107 -2.744 8.442 2.559 1.00 0.00 O ATOM 1640 CB LYS A 107 -2.480 5.665 3.727 1.00 0.00 C ATOM 1641 CG LYS A 107 -2.524 4.447 4.624 1.00 0.00 C ATOM 1642 CD LYS A 107 -2.130 4.787 6.044 1.00 0.00 C ATOM 1643 CE LYS A 107 -1.992 3.534 6.887 1.00 0.00 C ATOM 1644 NZ LYS A 107 -0.851 2.686 6.449 1.00 0.00 N ATOM 0 H LYS A 107 -4.765 6.195 2.739 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.466 6.782 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.766 5.369 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.453 6.027 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.529 4.024 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.853 3.682 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.187 5.333 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.879 5.445 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.855 3.814 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.915 2.956 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.513 2.117 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.162 2.055 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.079 3.293 6.106 1.00 0.00 H new ATOM 1658 N THR A 108 -2.300 8.884 4.699 1.00 0.00 N ATOM 1659 CA THR A 108 -1.609 10.118 4.400 1.00 0.00 C ATOM 1660 C THR A 108 -0.139 9.930 4.711 1.00 0.00 C ATOM 1661 O THR A 108 0.241 9.791 5.869 1.00 0.00 O ATOM 1662 CB THR A 108 -2.176 11.296 5.218 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.609 11.317 5.115 1.00 0.00 O ATOM 1664 CG2 THR A 108 -1.619 12.618 4.717 1.00 0.00 C ATOM 0 H THR A 108 -2.379 8.671 5.693 1.00 0.00 H new ATOM 0 HA THR A 108 -1.749 10.357 3.346 1.00 0.00 H new ATOM 0 HB THR A 108 -1.882 11.161 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.964 12.066 5.638 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.033 13.435 5.309 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.533 12.615 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.891 12.754 3.670 1.00 0.00 H new ATOM 1672 N MET A 109 0.677 9.921 3.677 1.00 0.00 N ATOM 1673 CA MET A 109 2.080 9.596 3.827 1.00 0.00 C ATOM 1674 C MET A 109 2.938 10.577 3.051 1.00 0.00 C ATOM 1675 O MET A 109 2.469 11.210 2.105 1.00 0.00 O ATOM 1676 CB MET A 109 2.332 8.160 3.356 1.00 0.00 C ATOM 1677 CG MET A 109 1.868 7.886 1.932 1.00 0.00 C ATOM 1678 SD MET A 109 1.931 6.136 1.505 1.00 0.00 S ATOM 1679 CE MET A 109 1.339 6.177 -0.185 1.00 0.00 C ATOM 0 H MET A 109 0.392 10.136 2.722 1.00 0.00 H new ATOM 0 HA MET A 109 2.352 9.671 4.880 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.399 7.947 3.427 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.824 7.472 4.032 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.847 8.249 1.811 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.491 8.448 1.237 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.825 5.243 -0.413 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.648 7.011 -0.308 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.183 6.302 -0.863 1.00 0.00 H new ATOM 1689 N THR A 110 4.185 10.713 3.462 1.00 0.00 N ATOM 1690 CA THR A 110 5.098 11.634 2.815 1.00 0.00 C ATOM 1691 C THR A 110 6.201 10.861 2.102 1.00 0.00 C ATOM 1692 O THR A 110 6.509 9.722 2.464 1.00 0.00 O ATOM 1693 CB THR A 110 5.720 12.602 3.836 1.00 0.00 C ATOM 1694 OG1 THR A 110 4.720 13.047 4.766 1.00 0.00 O ATOM 1695 CG2 THR A 110 6.327 13.816 3.150 1.00 0.00 C ATOM 0 H THR A 110 4.589 10.196 4.243 1.00 0.00 H new ATOM 0 HA THR A 110 4.533 12.216 2.087 1.00 0.00 H new ATOM 0 HB THR A 110 6.509 12.064 4.361 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.125 13.661 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.758 14.480 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.107 13.492 2.461 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.552 14.347 2.598 1.00 0.00 H new ATOM 1703 N ARG A 111 6.784 11.476 1.093 1.00 0.00 N ATOM 1704 CA ARG A 111 7.831 10.841 0.308 1.00 0.00 C ATOM 1705 C ARG A 111 9.149 10.891 1.064 1.00 0.00 C ATOM 1706 O ARG A 111 9.545 11.950 1.555 1.00 0.00 O ATOM 1707 CB ARG A 111 7.984 11.541 -1.041 1.00 0.00 C ATOM 1708 CG ARG A 111 8.995 10.873 -1.957 1.00 0.00 C ATOM 1709 CD ARG A 111 9.507 11.837 -3.013 1.00 0.00 C ATOM 1710 NE ARG A 111 10.178 12.985 -2.407 1.00 0.00 N ATOM 1711 CZ ARG A 111 11.473 13.251 -2.547 1.00 0.00 C ATOM 1712 NH1 ARG A 111 12.243 12.475 -3.299 1.00 0.00 N ATOM 1713 NH2 ARG A 111 12.001 14.302 -1.941 1.00 0.00 N ATOM 0 H ARG A 111 6.550 12.422 0.793 1.00 0.00 H new ATOM 0 HA ARG A 111 7.554 9.801 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.015 11.568 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.285 12.575 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.832 10.499 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.536 10.011 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.199 11.318 -3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.675 12.182 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 111 9.618 13.622 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.842 11.667 -3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 111 13.236 12.687 -3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.415 14.908 -1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.995 14.507 -2.048 1.00 0.00 H new ATOM 1727 N ILE A 112 9.817 9.754 1.169 1.00 0.00 N ATOM 1728 CA ILE A 112 11.096 9.699 1.853 1.00 0.00 C ATOM 1729 C ILE A 112 12.192 10.268 0.963 1.00 0.00 C ATOM 1730 O ILE A 112 12.160 10.124 -0.261 1.00 0.00 O ATOM 1731 CB ILE A 112 11.470 8.261 2.271 1.00 0.00 C ATOM 1732 CG1 ILE A 112 10.316 7.610 3.032 1.00 0.00 C ATOM 1733 CG2 ILE A 112 12.734 8.254 3.124 1.00 0.00 C ATOM 1734 CD1 ILE A 112 10.632 6.222 3.536 1.00 0.00 C ATOM 0 H ILE A 112 9.496 8.862 0.791 1.00 0.00 H new ATOM 0 HA ILE A 112 11.002 10.299 2.758 1.00 0.00 H new ATOM 0 HB ILE A 112 11.664 7.685 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.047 8.242 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.444 7.561 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.977 7.230 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 112 13.560 8.679 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.570 8.848 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.768 5.822 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.872 5.575 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.485 6.266 4.214 1.00 0.00 H new ATOM 1746 N GLU A 113 13.153 10.905 1.595 1.00 0.00 N ATOM 1747 CA GLU A 113 14.271 11.514 0.900 1.00 0.00 C ATOM 1748 C GLU A 113 15.534 11.287 1.708 1.00 0.00 C ATOM 1749 O GLU A 113 15.633 11.715 2.859 1.00 0.00 O ATOM 1750 CB GLU A 113 14.024 13.010 0.694 1.00 0.00 C ATOM 1751 CG GLU A 113 15.136 13.730 -0.058 1.00 0.00 C ATOM 1752 CD GLU A 113 15.320 13.212 -1.471 1.00 0.00 C ATOM 1753 OE1 GLU A 113 14.656 13.731 -2.392 1.00 0.00 O ATOM 1754 OE2 GLU A 113 16.129 12.285 -1.666 1.00 0.00 O ATOM 0 H GLU A 113 13.183 11.017 2.608 1.00 0.00 H new ATOM 0 HA GLU A 113 14.382 11.057 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.089 13.141 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.894 13.483 1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 113 14.913 14.796 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 113 16.071 13.617 0.490 1.00 0.00 H new