USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 754 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 82 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= 0 X(o=0,f=0.47) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 13 CYS SG : rot -150:sc= -2.87! USER MOD Single : A 14 GLN : amide:sc= -0.0925 X(o=-0.093,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.285 K(o=-0.28,f=-2.8) USER MOD Single : A 17 THR OG1 : rot 81:sc= 0.108 USER MOD Single : A 20 TYR OH : rot 60:sc= 0.35 USER MOD Single : A 24 HIS : no HE2:sc= 0.0336 K(o=0.034,f=-1.7) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -4:sc= 0.537 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -90:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.698 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.04 K(o=-1,f=-1.6!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -2.17 K(o=-2.2,f=-6.8!) USER MOD Single : A 64 THR OG1 : rot 74:sc= 0.703 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc=-0.00162 X(o=-0.0016,f=-0.16) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 0:sc=-0.00622 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-3.1!) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -2.15 F(o=-4.6!,f=-2.2) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 0.534 -0.025 -2.509 1.00 0.00 N ATOM 202 CA GLN A 6 -0.209 1.231 -2.569 1.00 0.00 C ATOM 203 C GLN A 6 -0.870 1.415 -3.932 1.00 0.00 C ATOM 204 O GLN A 6 -1.945 2.006 -4.037 1.00 0.00 O ATOM 205 CB GLN A 6 0.719 2.410 -2.277 1.00 0.00 C ATOM 206 CG GLN A 6 0.977 2.630 -0.796 1.00 0.00 C ATOM 207 CD GLN A 6 1.830 3.853 -0.528 1.00 0.00 C ATOM 208 OE1 GLN A 6 1.964 4.731 -1.381 1.00 0.00 O ATOM 209 NE2 GLN A 6 2.413 3.918 0.664 1.00 0.00 N ATOM 0 HA GLN A 6 -0.992 1.194 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.671 2.246 -2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.285 3.316 -2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.024 2.735 -0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.470 1.750 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.275 3.168 1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.999 4.718 0.902 1.00 0.00 H new ATOM 218 N GLU A 7 -0.216 0.912 -4.974 1.00 0.00 N ATOM 219 CA GLU A 7 -0.736 1.028 -6.332 1.00 0.00 C ATOM 220 C GLU A 7 -2.070 0.304 -6.483 1.00 0.00 C ATOM 221 O GLU A 7 -3.020 0.846 -7.047 1.00 0.00 O ATOM 222 CB GLU A 7 0.275 0.470 -7.335 1.00 0.00 C ATOM 223 CG GLU A 7 0.269 1.193 -8.671 1.00 0.00 C ATOM 224 CD GLU A 7 0.673 2.649 -8.547 1.00 0.00 C ATOM 225 OE1 GLU A 7 -0.187 3.474 -8.174 1.00 0.00 O ATOM 226 OE2 GLU A 7 1.850 2.963 -8.826 1.00 0.00 O ATOM 0 H GLU A 7 0.675 0.420 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.901 2.086 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.274 0.531 -6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.063 -0.586 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.950 0.688 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.727 1.132 -9.109 1.00 0.00 H new ATOM 233 N GLU A 8 -2.135 -0.926 -5.983 1.00 0.00 N ATOM 234 CA GLU A 8 -3.356 -1.720 -6.073 1.00 0.00 C ATOM 235 C GLU A 8 -4.492 -1.068 -5.291 1.00 0.00 C ATOM 236 O GLU A 8 -5.660 -1.190 -5.660 1.00 0.00 O ATOM 237 CB GLU A 8 -3.112 -3.142 -5.562 1.00 0.00 C ATOM 238 CG GLU A 8 -2.750 -3.212 -4.087 1.00 0.00 C ATOM 239 CD GLU A 8 -3.222 -4.496 -3.432 1.00 0.00 C ATOM 240 OE1 GLU A 8 -2.658 -5.565 -3.748 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.154 -4.432 -2.603 1.00 0.00 O ATOM 0 H GLU A 8 -1.360 -1.393 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.647 -1.769 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.008 -3.739 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.310 -3.595 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.669 -3.129 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.190 -2.360 -3.568 1.00 0.00 H new ATOM 248 N LEU A 9 -4.146 -0.376 -4.210 1.00 0.00 N ATOM 249 CA LEU A 9 -5.143 0.292 -3.382 1.00 0.00 C ATOM 250 C LEU A 9 -5.739 1.491 -4.110 1.00 0.00 C ATOM 251 O LEU A 9 -6.959 1.653 -4.167 1.00 0.00 O ATOM 252 CB LEU A 9 -4.519 0.743 -2.059 1.00 0.00 C ATOM 253 CG LEU A 9 -3.948 -0.382 -1.195 1.00 0.00 C ATOM 254 CD1 LEU A 9 -3.149 0.191 -0.034 1.00 0.00 C ATOM 255 CD2 LEU A 9 -5.065 -1.281 -0.684 1.00 0.00 C ATOM 0 H LEU A 9 -3.185 -0.264 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.943 -0.419 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.722 1.455 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.275 1.276 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.278 -0.983 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.750 -0.624 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.326 0.793 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.797 0.815 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.640 -2.076 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.760 -0.693 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.595 -1.719 -1.530 1.00 0.00 H new ATOM 267 N LEU A 10 -4.872 2.328 -4.669 1.00 0.00 N ATOM 268 CA LEU A 10 -5.311 3.513 -5.397 1.00 0.00 C ATOM 269 C LEU A 10 -6.119 3.124 -6.632 1.00 0.00 C ATOM 270 O LEU A 10 -7.117 3.764 -6.961 1.00 0.00 O ATOM 271 CB LEU A 10 -4.105 4.363 -5.806 1.00 0.00 C ATOM 272 CG LEU A 10 -4.220 5.852 -5.475 1.00 0.00 C ATOM 273 CD1 LEU A 10 -2.847 6.507 -5.473 1.00 0.00 C ATOM 274 CD2 LEU A 10 -5.142 6.546 -6.465 1.00 0.00 C ATOM 0 H LEU A 10 -3.860 2.208 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.951 4.099 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.216 3.965 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.952 4.256 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.648 5.952 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.949 7.566 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.216 6.027 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.391 6.398 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.213 7.605 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.742 6.437 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.133 6.095 -6.417 1.00 0.00 H new ATOM 286 N ARG A 11 -5.676 2.073 -7.312 1.00 0.00 N ATOM 287 CA ARG A 11 -6.353 1.596 -8.513 1.00 0.00 C ATOM 288 C ARG A 11 -7.794 1.201 -8.208 1.00 0.00 C ATOM 289 O ARG A 11 -8.712 1.538 -8.956 1.00 0.00 O ATOM 290 CB ARG A 11 -5.601 0.405 -9.109 1.00 0.00 C ATOM 291 CG ARG A 11 -4.368 0.800 -9.906 1.00 0.00 C ATOM 292 CD ARG A 11 -4.042 -0.231 -10.974 1.00 0.00 C ATOM 293 NE ARG A 11 -3.426 0.375 -12.151 1.00 0.00 N ATOM 294 CZ ARG A 11 -4.050 1.236 -12.953 1.00 0.00 C ATOM 295 NH1 ARG A 11 -5.305 1.593 -12.708 1.00 0.00 N ATOM 296 NH2 ARG A 11 -3.417 1.740 -14.004 1.00 0.00 N ATOM 0 H ARG A 11 -4.850 1.534 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.365 2.410 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.303 -0.266 -8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.277 -0.154 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.531 1.771 -10.374 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.518 0.909 -9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.370 -0.982 -10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.955 -0.748 -11.269 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.462 0.124 -12.372 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.797 1.207 -11.902 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.777 2.253 -13.326 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.453 1.468 -14.197 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.894 2.399 -14.619 1.00 0.00 H new ATOM 310 N TRP A 12 -7.986 0.484 -7.105 1.00 0.00 N ATOM 311 CA TRP A 12 -9.316 0.045 -6.704 1.00 0.00 C ATOM 312 C TRP A 12 -10.203 1.238 -6.358 1.00 0.00 C ATOM 313 O TRP A 12 -11.372 1.286 -6.739 1.00 0.00 O ATOM 314 CB TRP A 12 -9.225 -0.901 -5.505 1.00 0.00 C ATOM 315 CG TRP A 12 -10.530 -1.551 -5.161 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.020 -2.723 -5.660 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.515 -1.065 -4.240 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.248 -2.995 -5.109 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.572 -1.991 -4.233 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.601 0.065 -3.421 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.704 -1.825 -3.439 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.725 0.230 -2.633 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.763 -0.709 -2.647 1.00 0.00 C ATOM 0 H TRP A 12 -7.238 0.196 -6.475 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.763 -0.486 -7.544 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.487 -1.674 -5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.865 -0.345 -4.639 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.515 -3.346 -6.383 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.825 -3.810 -5.317 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.805 0.795 -3.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.505 -2.549 -3.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.803 1.098 -1.996 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.628 -0.550 -2.020 1.00 0.00 H new ATOM 334 N CYS A 13 -9.637 2.198 -5.634 1.00 0.00 N ATOM 335 CA CYS A 13 -10.376 3.390 -5.237 1.00 0.00 C ATOM 336 C CYS A 13 -10.869 4.158 -6.458 1.00 0.00 C ATOM 337 O CYS A 13 -12.022 4.585 -6.512 1.00 0.00 O ATOM 338 CB CYS A 13 -9.496 4.295 -4.373 1.00 0.00 C ATOM 339 SG CYS A 13 -10.393 5.168 -3.067 1.00 0.00 S ATOM 0 H CYS A 13 -8.670 2.174 -5.311 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.242 3.073 -4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.709 3.693 -3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.006 5.027 -5.015 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.807 6.302 -2.821 1.00 0.00 H new ATOM 345 N GLN A 14 -9.988 4.332 -7.438 1.00 0.00 N ATOM 346 CA GLN A 14 -10.334 5.050 -8.659 1.00 0.00 C ATOM 347 C GLN A 14 -11.467 4.350 -9.402 1.00 0.00 C ATOM 348 O GLN A 14 -12.314 4.999 -10.014 1.00 0.00 O ATOM 349 CB GLN A 14 -9.110 5.172 -9.568 1.00 0.00 C ATOM 350 CG GLN A 14 -9.339 6.061 -10.780 1.00 0.00 C ATOM 351 CD GLN A 14 -8.149 6.083 -11.719 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.619 7.145 -12.044 1.00 0.00 O ATOM 353 NE2 GLN A 14 -7.724 4.905 -12.162 1.00 0.00 N ATOM 0 H GLN A 14 -9.029 3.985 -7.410 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.671 6.048 -8.379 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.276 5.569 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.819 4.178 -9.907 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.218 5.712 -11.321 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.553 7.076 -10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.194 4.049 -11.866 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.928 4.856 -12.798 1.00 0.00 H new ATOM 362 N GLU A 15 -11.474 3.022 -9.346 1.00 0.00 N ATOM 363 CA GLU A 15 -12.506 2.238 -10.015 1.00 0.00 C ATOM 364 C GLU A 15 -13.872 2.481 -9.378 1.00 0.00 C ATOM 365 O GLU A 15 -14.865 2.681 -10.075 1.00 0.00 O ATOM 366 CB GLU A 15 -12.158 0.748 -9.961 1.00 0.00 C ATOM 367 CG GLU A 15 -12.212 0.060 -11.315 1.00 0.00 C ATOM 368 CD GLU A 15 -11.046 0.436 -12.207 1.00 0.00 C ATOM 369 OE1 GLU A 15 -10.679 1.630 -12.232 1.00 0.00 O ATOM 370 OE2 GLU A 15 -10.500 -0.463 -12.881 1.00 0.00 O ATOM 0 H GLU A 15 -10.779 2.468 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.552 2.554 -11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.158 0.632 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.847 0.247 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.220 -1.020 -11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.145 0.321 -11.814 1.00 0.00 H new ATOM 377 N GLN A 16 -13.909 2.462 -8.050 1.00 0.00 N ATOM 378 CA GLN A 16 -15.151 2.679 -7.316 1.00 0.00 C ATOM 379 C GLN A 16 -15.618 4.125 -7.453 1.00 0.00 C ATOM 380 O GLN A 16 -16.817 4.404 -7.424 1.00 0.00 O ATOM 381 CB GLN A 16 -14.963 2.329 -5.840 1.00 0.00 C ATOM 382 CG GLN A 16 -14.849 0.835 -5.578 1.00 0.00 C ATOM 383 CD GLN A 16 -16.130 0.089 -5.894 1.00 0.00 C ATOM 384 OE1 GLN A 16 -17.123 0.685 -6.310 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.111 -1.225 -5.698 1.00 0.00 N ATOM 0 H GLN A 16 -13.093 2.299 -7.460 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.914 2.028 -7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.065 2.824 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.804 2.726 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.037 0.425 -6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.586 0.672 -4.533 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.265 -1.677 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.943 -1.782 -5.894 1.00 0.00 H new ATOM 394 N THR A 17 -14.664 5.040 -7.598 1.00 0.00 N ATOM 395 CA THR A 17 -14.980 6.457 -7.738 1.00 0.00 C ATOM 396 C THR A 17 -15.028 6.878 -9.206 1.00 0.00 C ATOM 397 O THR A 17 -15.145 8.065 -9.514 1.00 0.00 O ATOM 398 CB THR A 17 -13.949 7.303 -6.988 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.875 6.914 -5.629 1.00 0.00 O ATOM 400 CG2 THR A 17 -14.249 8.785 -7.026 1.00 0.00 C ATOM 0 H THR A 17 -13.667 4.826 -7.622 1.00 0.00 H new ATOM 0 HA THR A 17 -15.968 6.621 -7.307 1.00 0.00 H new ATOM 0 HB THR A 17 -13.003 7.128 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.306 6.121 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.479 9.326 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.263 9.127 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.221 8.971 -6.569 1.00 0.00 H new ATOM 408 N ALA A 18 -14.937 5.906 -10.109 1.00 0.00 N ATOM 409 CA ALA A 18 -14.972 6.191 -11.539 1.00 0.00 C ATOM 410 C ALA A 18 -16.407 6.353 -12.030 1.00 0.00 C ATOM 411 O ALA A 18 -17.244 5.472 -11.833 1.00 0.00 O ATOM 412 CB ALA A 18 -14.268 5.087 -12.314 1.00 0.00 C ATOM 0 H ALA A 18 -14.839 4.918 -9.877 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.448 7.131 -11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.302 5.312 -13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.229 5.020 -11.990 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.768 4.136 -12.128 1.00 0.00 H new ATOM 418 N GLY A 19 -16.685 7.485 -12.668 1.00 0.00 N ATOM 419 CA GLY A 19 -18.020 7.740 -13.176 1.00 0.00 C ATOM 420 C GLY A 19 -18.384 9.212 -13.144 1.00 0.00 C ATOM 421 O GLY A 19 -19.192 9.674 -13.950 1.00 0.00 O ATOM 0 H GLY A 19 -16.010 8.230 -12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.091 7.374 -14.200 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.743 7.178 -12.585 1.00 0.00 H new ATOM 425 N TYR A 20 -17.788 9.949 -12.213 1.00 0.00 N ATOM 426 CA TYR A 20 -18.056 11.376 -12.082 1.00 0.00 C ATOM 427 C TYR A 20 -17.107 12.192 -12.960 1.00 0.00 C ATOM 428 O TYR A 20 -15.888 12.107 -12.808 1.00 0.00 O ATOM 429 CB TYR A 20 -17.914 11.809 -10.621 1.00 0.00 C ATOM 430 CG TYR A 20 -18.689 10.942 -9.654 1.00 0.00 C ATOM 431 CD1 TYR A 20 -18.188 9.715 -9.235 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.921 11.351 -9.159 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.894 8.920 -8.353 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.632 10.562 -8.276 1.00 0.00 C ATOM 435 CZ TYR A 20 -20.116 9.348 -7.875 1.00 0.00 C ATOM 436 OH TYR A 20 -20.820 8.558 -6.996 1.00 0.00 O ATOM 0 H TYR A 20 -17.117 9.582 -11.539 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.078 11.561 -12.413 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.859 11.791 -10.347 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.252 12.841 -10.522 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.231 9.378 -9.605 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.329 12.301 -9.470 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.492 7.968 -8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -21.589 10.895 -7.901 1.00 0.00 H new ATOM 0 HH TYR A 20 -20.284 8.408 -6.190 1.00 0.00 H new ATOM 446 N PRO A 21 -17.648 12.998 -13.895 1.00 0.00 N ATOM 447 CA PRO A 21 -16.831 13.823 -14.792 1.00 0.00 C ATOM 448 C PRO A 21 -16.008 14.860 -14.035 1.00 0.00 C ATOM 449 O PRO A 21 -16.554 15.689 -13.308 1.00 0.00 O ATOM 450 CB PRO A 21 -17.860 14.520 -15.695 1.00 0.00 C ATOM 451 CG PRO A 21 -19.113 13.724 -15.548 1.00 0.00 C ATOM 452 CD PRO A 21 -19.087 13.166 -14.156 1.00 0.00 C ATOM 0 HA PRO A 21 -16.107 13.221 -15.340 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.013 15.555 -15.391 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -17.525 14.539 -16.732 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.993 14.349 -15.701 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -19.157 12.925 -16.288 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.551 13.845 -13.440 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -19.623 12.219 -14.090 1.00 0.00 H new ATOM 460 N GLY A 22 -14.691 14.811 -14.214 1.00 0.00 N ATOM 461 CA GLY A 22 -13.818 15.753 -13.542 1.00 0.00 C ATOM 462 C GLY A 22 -13.028 15.108 -12.421 1.00 0.00 C ATOM 463 O GLY A 22 -11.935 15.562 -12.084 1.00 0.00 O ATOM 0 H GLY A 22 -14.215 14.136 -14.812 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.128 16.186 -14.267 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.413 16.572 -13.139 1.00 0.00 H new ATOM 467 N VAL A 23 -13.583 14.048 -11.845 1.00 0.00 N ATOM 468 CA VAL A 23 -12.920 13.343 -10.757 1.00 0.00 C ATOM 469 C VAL A 23 -11.830 12.419 -11.287 1.00 0.00 C ATOM 470 O VAL A 23 -12.095 11.510 -12.074 1.00 0.00 O ATOM 471 CB VAL A 23 -13.921 12.516 -9.930 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.246 11.931 -8.700 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.120 13.367 -9.535 1.00 0.00 C ATOM 0 H VAL A 23 -14.487 13.660 -12.113 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.471 14.101 -10.116 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.277 11.691 -10.547 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.970 11.350 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.425 11.284 -9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.858 12.739 -8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.817 12.765 -8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -14.784 14.215 -8.938 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.619 13.731 -10.433 1.00 0.00 H new ATOM 483 N HIS A 24 -10.602 12.658 -10.844 1.00 0.00 N ATOM 484 CA HIS A 24 -9.462 11.850 -11.262 1.00 0.00 C ATOM 485 C HIS A 24 -8.726 11.294 -10.046 1.00 0.00 C ATOM 486 O HIS A 24 -7.625 11.736 -9.718 1.00 0.00 O ATOM 487 CB HIS A 24 -8.507 12.684 -12.118 1.00 0.00 C ATOM 488 CG HIS A 24 -8.771 12.573 -13.587 1.00 0.00 C ATOM 489 ND1 HIS A 24 -9.909 11.993 -14.107 1.00 0.00 N ATOM 490 CD2 HIS A 24 -8.036 12.974 -14.653 1.00 0.00 C ATOM 491 CE1 HIS A 24 -9.862 12.040 -15.427 1.00 0.00 C ATOM 492 NE2 HIS A 24 -8.737 12.631 -15.782 1.00 0.00 N ATOM 0 H HIS A 24 -10.369 13.408 -10.193 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.831 11.015 -11.857 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.585 13.730 -11.821 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.483 12.370 -11.916 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -10.669 11.590 -13.558 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.078 13.471 -14.620 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.616 11.660 -16.100 1.00 0.00 H new ATOM 501 N VAL A 25 -9.345 10.326 -9.381 1.00 0.00 N ATOM 502 CA VAL A 25 -8.754 9.710 -8.200 1.00 0.00 C ATOM 503 C VAL A 25 -7.460 8.979 -8.541 1.00 0.00 C ATOM 504 O VAL A 25 -7.477 7.803 -8.905 1.00 0.00 O ATOM 505 CB VAL A 25 -9.727 8.717 -7.537 1.00 0.00 C ATOM 506 CG1 VAL A 25 -9.175 8.232 -6.205 1.00 0.00 C ATOM 507 CG2 VAL A 25 -11.096 9.354 -7.356 1.00 0.00 C ATOM 0 H VAL A 25 -10.257 9.950 -9.640 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.536 10.520 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.837 7.853 -8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.878 7.532 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.219 7.734 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.032 9.083 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.771 8.639 -6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.006 10.237 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.494 9.644 -8.329 1.00 0.00 H new ATOM 517 N SER A 26 -6.339 9.681 -8.416 1.00 0.00 N ATOM 518 CA SER A 26 -5.034 9.094 -8.705 1.00 0.00 C ATOM 519 C SER A 26 -3.944 9.737 -7.849 1.00 0.00 C ATOM 520 O SER A 26 -2.761 9.671 -8.182 1.00 0.00 O ATOM 521 CB SER A 26 -4.696 9.252 -10.188 1.00 0.00 C ATOM 522 OG SER A 26 -3.941 8.148 -10.659 1.00 0.00 O ATOM 0 H SER A 26 -6.307 10.656 -8.117 1.00 0.00 H new ATOM 0 HA SER A 26 -5.080 8.032 -8.463 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.616 9.341 -10.766 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.133 10.173 -10.340 1.00 0.00 H new ATOM 0 HG SER A 26 -3.739 8.272 -11.610 1.00 0.00 H new ATOM 528 N ASP A 27 -4.351 10.354 -6.745 1.00 0.00 N ATOM 529 CA ASP A 27 -3.413 11.003 -5.838 1.00 0.00 C ATOM 530 C ASP A 27 -3.781 10.721 -4.385 1.00 0.00 C ATOM 531 O ASP A 27 -4.957 10.696 -4.027 1.00 0.00 O ATOM 532 CB ASP A 27 -3.389 12.512 -6.087 1.00 0.00 C ATOM 533 CG ASP A 27 -3.004 12.857 -7.512 1.00 0.00 C ATOM 534 OD1 ASP A 27 -3.761 12.495 -8.437 1.00 0.00 O ATOM 535 OD2 ASP A 27 -1.943 13.489 -7.704 1.00 0.00 O ATOM 0 H ASP A 27 -5.327 10.418 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.420 10.596 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.372 12.929 -5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.684 12.980 -5.400 1.00 0.00 H new ATOM 540 N LEU A 28 -2.769 10.503 -3.552 1.00 0.00 N ATOM 541 CA LEU A 28 -2.995 10.219 -2.140 1.00 0.00 C ATOM 542 C LEU A 28 -2.856 11.484 -1.298 1.00 0.00 C ATOM 543 O LEU A 28 -2.333 11.444 -0.184 1.00 0.00 O ATOM 544 CB LEU A 28 -2.010 9.155 -1.650 1.00 0.00 C ATOM 545 CG LEU A 28 -2.415 7.711 -1.952 1.00 0.00 C ATOM 546 CD1 LEU A 28 -1.190 6.867 -2.268 1.00 0.00 C ATOM 547 CD2 LEU A 28 -3.184 7.119 -0.779 1.00 0.00 C ATOM 0 H LEU A 28 -1.787 10.517 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.012 9.843 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.037 9.346 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.887 9.264 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.065 7.711 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.498 5.843 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.678 7.279 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.514 6.873 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.465 6.091 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.556 7.132 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.083 7.709 -0.598 1.00 0.00 H new ATOM 559 N SER A 29 -3.326 12.605 -1.836 1.00 0.00 N ATOM 560 CA SER A 29 -3.253 13.878 -1.126 1.00 0.00 C ATOM 561 C SER A 29 -4.136 14.933 -1.788 1.00 0.00 C ATOM 562 O SER A 29 -5.221 15.244 -1.295 1.00 0.00 O ATOM 563 CB SER A 29 -1.804 14.370 -1.073 1.00 0.00 C ATOM 564 OG SER A 29 -1.027 13.573 -0.197 1.00 0.00 O ATOM 0 H SER A 29 -3.760 12.658 -2.758 1.00 0.00 H new ATOM 0 HA SER A 29 -3.617 13.717 -0.111 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.371 14.345 -2.073 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.781 15.408 -0.742 1.00 0.00 H new ATOM 0 HG SER A 29 -1.604 12.917 0.247 1.00 0.00 H new ATOM 570 N SER A 30 -3.663 15.485 -2.902 1.00 0.00 N ATOM 571 CA SER A 30 -4.406 16.510 -3.628 1.00 0.00 C ATOM 572 C SER A 30 -5.801 16.021 -4.009 1.00 0.00 C ATOM 573 O SER A 30 -6.786 16.744 -3.854 1.00 0.00 O ATOM 574 CB SER A 30 -3.639 16.927 -4.885 1.00 0.00 C ATOM 575 OG SER A 30 -2.874 18.097 -4.651 1.00 0.00 O ATOM 0 H SER A 30 -2.767 15.239 -3.322 1.00 0.00 H new ATOM 0 HA SER A 30 -4.517 17.372 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.982 16.116 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.340 17.104 -5.701 1.00 0.00 H new ATOM 0 HG SER A 30 -2.392 18.342 -5.469 1.00 0.00 H new ATOM 581 N SER A 31 -5.879 14.796 -4.514 1.00 0.00 N ATOM 582 CA SER A 31 -7.153 14.213 -4.926 1.00 0.00 C ATOM 583 C SER A 31 -8.172 14.244 -3.789 1.00 0.00 C ATOM 584 O SER A 31 -9.377 14.312 -4.028 1.00 0.00 O ATOM 585 CB SER A 31 -6.946 12.773 -5.401 1.00 0.00 C ATOM 586 OG SER A 31 -6.821 12.714 -6.811 1.00 0.00 O ATOM 0 H SER A 31 -5.074 14.185 -4.649 1.00 0.00 H new ATOM 0 HA SER A 31 -7.544 14.812 -5.749 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.052 12.358 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.786 12.157 -5.081 1.00 0.00 H new ATOM 0 HG SER A 31 -7.706 12.593 -7.213 1.00 0.00 H new ATOM 592 N TRP A 32 -7.683 14.191 -2.554 1.00 0.00 N ATOM 593 CA TRP A 32 -8.557 14.212 -1.385 1.00 0.00 C ATOM 594 C TRP A 32 -8.744 15.632 -0.849 1.00 0.00 C ATOM 595 O TRP A 32 -9.445 15.841 0.141 1.00 0.00 O ATOM 596 CB TRP A 32 -7.990 13.313 -0.285 1.00 0.00 C ATOM 597 CG TRP A 32 -7.702 11.917 -0.748 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.565 11.474 -1.360 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.567 10.780 -0.636 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.669 10.131 -1.635 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.889 9.683 -1.201 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.848 10.583 -0.113 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.450 8.410 -1.256 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.403 9.318 -0.169 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.703 8.246 -0.736 1.00 0.00 C ATOM 0 H TRP A 32 -6.688 14.133 -2.336 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.532 13.836 -1.694 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.072 13.757 0.100 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.697 13.275 0.543 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.709 12.089 -1.594 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.955 9.561 -2.088 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.394 11.404 0.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.914 7.581 -1.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.393 9.154 0.231 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.163 7.269 -0.763 1.00 0.00 H new ATOM 616 N ALA A 33 -8.114 16.605 -1.503 1.00 0.00 N ATOM 617 CA ALA A 33 -8.214 18.002 -1.085 1.00 0.00 C ATOM 618 C ALA A 33 -9.669 18.427 -0.903 1.00 0.00 C ATOM 619 O ALA A 33 -10.097 18.749 0.205 1.00 0.00 O ATOM 620 CB ALA A 33 -7.522 18.904 -2.095 1.00 0.00 C ATOM 0 H ALA A 33 -7.529 16.452 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.715 18.100 -0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.604 19.942 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.470 18.628 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.996 18.789 -3.070 1.00 0.00 H new ATOM 626 N ASP A 34 -10.424 18.427 -1.997 1.00 0.00 N ATOM 627 CA ASP A 34 -11.830 18.815 -1.954 1.00 0.00 C ATOM 628 C ASP A 34 -12.707 17.670 -1.444 1.00 0.00 C ATOM 629 O ASP A 34 -13.918 17.830 -1.291 1.00 0.00 O ATOM 630 CB ASP A 34 -12.304 19.258 -3.339 1.00 0.00 C ATOM 631 CG ASP A 34 -11.961 18.251 -4.418 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.898 17.043 -4.104 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.753 18.668 -5.576 1.00 0.00 O ATOM 0 H ASP A 34 -10.087 18.163 -2.923 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.923 19.651 -1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.383 19.411 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.851 20.218 -3.585 1.00 0.00 H new ATOM 638 N GLY A 35 -12.093 16.517 -1.178 1.00 0.00 N ATOM 639 CA GLY A 35 -12.843 15.375 -0.687 1.00 0.00 C ATOM 640 C GLY A 35 -13.730 14.760 -1.750 1.00 0.00 C ATOM 641 O GLY A 35 -14.829 14.293 -1.457 1.00 0.00 O ATOM 0 H GLY A 35 -11.093 16.356 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.148 14.621 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.457 15.685 0.159 1.00 0.00 H new ATOM 645 N LEU A 36 -13.252 14.761 -2.991 1.00 0.00 N ATOM 646 CA LEU A 36 -14.011 14.202 -4.104 1.00 0.00 C ATOM 647 C LEU A 36 -14.115 12.682 -3.992 1.00 0.00 C ATOM 648 O LEU A 36 -15.193 12.111 -4.159 1.00 0.00 O ATOM 649 CB LEU A 36 -13.357 14.583 -5.436 1.00 0.00 C ATOM 650 CG LEU A 36 -14.252 15.357 -6.410 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.630 14.717 -6.502 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.365 16.812 -5.985 1.00 0.00 C ATOM 0 H LEU A 36 -12.343 15.143 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.018 14.618 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.471 15.183 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.016 13.672 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.794 15.320 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.248 15.283 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.532 13.691 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.098 14.719 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.004 17.348 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.798 16.867 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.374 17.267 -5.977 1.00 0.00 H new ATOM 664 N ALA A 37 -12.988 12.035 -3.715 1.00 0.00 N ATOM 665 CA ALA A 37 -12.950 10.583 -3.589 1.00 0.00 C ATOM 666 C ALA A 37 -13.878 10.093 -2.481 1.00 0.00 C ATOM 667 O ALA A 37 -14.642 9.147 -2.672 1.00 0.00 O ATOM 668 CB ALA A 37 -11.525 10.115 -3.332 1.00 0.00 C ATOM 0 H ALA A 37 -12.088 12.494 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.301 10.156 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.510 9.029 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.887 10.418 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.156 10.563 -2.409 1.00 0.00 H new ATOM 674 N LEU A 38 -13.801 10.737 -1.321 1.00 0.00 N ATOM 675 CA LEU A 38 -14.630 10.359 -0.181 1.00 0.00 C ATOM 676 C LEU A 38 -16.111 10.575 -0.477 1.00 0.00 C ATOM 677 O LEU A 38 -16.943 9.713 -0.194 1.00 0.00 O ATOM 678 CB LEU A 38 -14.221 11.158 1.058 1.00 0.00 C ATOM 679 CG LEU A 38 -14.234 10.370 2.370 1.00 0.00 C ATOM 680 CD1 LEU A 38 -13.103 9.352 2.391 1.00 0.00 C ATOM 681 CD2 LEU A 38 -14.128 11.313 3.557 1.00 0.00 C ATOM 0 H LEU A 38 -13.174 11.522 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.474 9.297 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.218 11.556 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.891 12.012 1.158 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.180 9.833 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.127 8.801 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.223 8.657 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.147 9.868 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.139 10.736 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.198 11.877 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.972 12.003 3.550 1.00 0.00 H new ATOM 693 N CYS A 39 -16.437 11.734 -1.042 1.00 0.00 N ATOM 694 CA CYS A 39 -17.821 12.063 -1.369 1.00 0.00 C ATOM 695 C CYS A 39 -18.371 11.130 -2.446 1.00 0.00 C ATOM 696 O CYS A 39 -19.490 10.633 -2.336 1.00 0.00 O ATOM 697 CB CYS A 39 -17.924 13.518 -1.834 1.00 0.00 C ATOM 698 SG CYS A 39 -18.743 14.613 -0.649 1.00 0.00 S ATOM 0 H CYS A 39 -15.763 12.460 -1.283 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.419 11.932 -0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.921 13.898 -2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.468 13.549 -2.778 1.00 0.00 H new ATOM 0 HG CYS A 39 -18.781 15.821 -1.128 1.00 0.00 H new ATOM 704 N ALA A 40 -17.577 10.902 -3.487 1.00 0.00 N ATOM 705 CA ALA A 40 -17.988 10.034 -4.587 1.00 0.00 C ATOM 706 C ALA A 40 -18.351 8.638 -4.088 1.00 0.00 C ATOM 707 O ALA A 40 -19.386 8.084 -4.463 1.00 0.00 O ATOM 708 CB ALA A 40 -16.885 9.952 -5.631 1.00 0.00 C ATOM 0 H ALA A 40 -16.646 11.305 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.878 10.467 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -17.203 9.302 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.678 10.949 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.982 9.546 -5.175 1.00 0.00 H new ATOM 714 N LEU A 41 -17.493 8.071 -3.246 1.00 0.00 N ATOM 715 CA LEU A 41 -17.726 6.737 -2.702 1.00 0.00 C ATOM 716 C LEU A 41 -19.035 6.682 -1.920 1.00 0.00 C ATOM 717 O LEU A 41 -19.879 5.818 -2.163 1.00 0.00 O ATOM 718 CB LEU A 41 -16.561 6.323 -1.797 1.00 0.00 C ATOM 719 CG LEU A 41 -15.407 5.616 -2.510 1.00 0.00 C ATOM 720 CD1 LEU A 41 -14.225 5.443 -1.571 1.00 0.00 C ATOM 721 CD2 LEU A 41 -15.863 4.267 -3.051 1.00 0.00 C ATOM 0 H LEU A 41 -16.631 8.513 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.797 6.041 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.172 7.213 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.943 5.665 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.089 6.235 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.414 4.938 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.884 6.421 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.528 4.846 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.030 3.777 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.207 3.642 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.679 4.416 -3.758 1.00 0.00 H new ATOM 733 N VAL A 42 -19.198 7.607 -0.979 1.00 0.00 N ATOM 734 CA VAL A 42 -20.403 7.660 -0.159 1.00 0.00 C ATOM 735 C VAL A 42 -21.653 7.812 -1.021 1.00 0.00 C ATOM 736 O VAL A 42 -22.687 7.206 -0.741 1.00 0.00 O ATOM 737 CB VAL A 42 -20.345 8.823 0.850 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.523 8.758 1.810 1.00 0.00 C ATOM 739 CG2 VAL A 42 -19.026 8.807 1.610 1.00 0.00 C ATOM 0 H VAL A 42 -18.511 8.330 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.455 6.717 0.385 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.408 9.761 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.464 9.587 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.455 8.825 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.496 7.815 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -19.004 9.636 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.929 7.865 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.200 8.908 0.907 1.00 0.00 H new ATOM 749 N TYR A 43 -21.552 8.626 -2.066 1.00 0.00 N ATOM 750 CA TYR A 43 -22.676 8.860 -2.966 1.00 0.00 C ATOM 751 C TYR A 43 -23.160 7.557 -3.595 1.00 0.00 C ATOM 752 O TYR A 43 -24.361 7.297 -3.658 1.00 0.00 O ATOM 753 CB TYR A 43 -22.279 9.848 -4.063 1.00 0.00 C ATOM 754 CG TYR A 43 -23.454 10.386 -4.848 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.488 11.061 -4.211 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.529 10.219 -6.225 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.564 11.553 -4.926 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.601 10.710 -6.947 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.615 11.375 -6.292 1.00 0.00 C ATOM 760 OH TYR A 43 -26.685 11.866 -7.006 1.00 0.00 O ATOM 0 H TYR A 43 -20.703 9.135 -2.311 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.492 9.281 -2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.742 10.682 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.588 9.358 -4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.451 11.203 -3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.736 9.697 -6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -26.361 12.074 -4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.644 10.573 -8.017 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.567 11.658 -7.956 1.00 0.00 H new ATOM 770 N ARG A 44 -22.220 6.742 -4.061 1.00 0.00 N ATOM 771 CA ARG A 44 -22.558 5.469 -4.687 1.00 0.00 C ATOM 772 C ARG A 44 -23.246 4.539 -3.694 1.00 0.00 C ATOM 773 O ARG A 44 -24.144 3.778 -4.060 1.00 0.00 O ATOM 774 CB ARG A 44 -21.299 4.800 -5.245 1.00 0.00 C ATOM 775 CG ARG A 44 -21.506 4.158 -6.607 1.00 0.00 C ATOM 776 CD ARG A 44 -21.229 5.140 -7.735 1.00 0.00 C ATOM 777 NE ARG A 44 -22.422 5.897 -8.108 1.00 0.00 N ATOM 778 CZ ARG A 44 -22.546 6.568 -9.251 1.00 0.00 C ATOM 779 NH1 ARG A 44 -21.556 6.578 -10.134 1.00 0.00 N ATOM 780 NH2 ARG A 44 -23.665 7.232 -9.511 1.00 0.00 N ATOM 0 H ARG A 44 -21.220 6.939 -4.017 1.00 0.00 H new ATOM 0 HA ARG A 44 -23.248 5.668 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -20.505 5.543 -5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.959 4.040 -4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.849 3.294 -6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -22.529 3.791 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -20.443 5.830 -7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.857 4.598 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 44 -23.205 5.912 -7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -20.694 6.070 -9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -21.657 7.094 -11.008 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -24.429 7.228 -8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -23.761 7.746 -10.386 1.00 0.00 H new ATOM 794 N LEU A 45 -22.823 4.602 -2.437 1.00 0.00 N ATOM 795 CA LEU A 45 -23.402 3.764 -1.392 1.00 0.00 C ATOM 796 C LEU A 45 -24.747 4.318 -0.933 1.00 0.00 C ATOM 797 O LEU A 45 -25.694 3.568 -0.703 1.00 0.00 O ATOM 798 CB LEU A 45 -22.445 3.662 -0.204 1.00 0.00 C ATOM 799 CG LEU A 45 -21.369 2.583 -0.330 1.00 0.00 C ATOM 800 CD1 LEU A 45 -21.996 1.198 -0.305 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.562 2.782 -1.603 1.00 0.00 C ATOM 0 H LEU A 45 -22.081 5.224 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.563 2.769 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.956 4.627 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.028 3.469 0.697 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.694 2.669 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.215 0.443 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.529 1.057 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.694 1.100 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.801 2.005 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.224 2.724 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -20.081 3.760 -1.580 1.00 0.00 H new ATOM 813 N GLN A 46 -24.823 5.640 -0.803 1.00 0.00 N ATOM 814 CA GLN A 46 -26.051 6.297 -0.372 1.00 0.00 C ATOM 815 C GLN A 46 -26.315 7.550 -1.203 1.00 0.00 C ATOM 816 O GLN A 46 -26.211 8.670 -0.705 1.00 0.00 O ATOM 817 CB GLN A 46 -25.966 6.658 1.113 1.00 0.00 C ATOM 818 CG GLN A 46 -26.313 5.506 2.040 1.00 0.00 C ATOM 819 CD GLN A 46 -27.741 5.028 1.869 1.00 0.00 C ATOM 820 OE1 GLN A 46 -28.069 4.348 0.897 1.00 0.00 O ATOM 821 NE2 GLN A 46 -28.602 5.385 2.816 1.00 0.00 N ATOM 0 H GLN A 46 -24.048 6.276 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.879 5.604 -0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.956 7.002 1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.639 7.491 1.315 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -25.631 4.676 1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -26.160 5.817 3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.287 5.950 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -29.578 5.094 2.754 1.00 0.00 H new ATOM 830 N PRO A 47 -26.665 7.374 -2.489 1.00 0.00 N ATOM 831 CA PRO A 47 -26.947 8.496 -3.391 1.00 0.00 C ATOM 832 C PRO A 47 -28.226 9.233 -3.013 1.00 0.00 C ATOM 833 O PRO A 47 -28.385 10.418 -3.310 1.00 0.00 O ATOM 834 CB PRO A 47 -27.098 7.827 -4.759 1.00 0.00 C ATOM 835 CG PRO A 47 -27.498 6.424 -4.453 1.00 0.00 C ATOM 836 CD PRO A 47 -26.817 6.070 -3.160 1.00 0.00 C ATOM 0 HA PRO A 47 -26.162 9.252 -3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.852 8.330 -5.365 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -26.164 7.859 -5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.581 6.339 -4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -27.193 5.748 -5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.416 5.379 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.853 5.591 -3.331 1.00 0.00 H new ATOM 844 N GLY A 48 -29.138 8.525 -2.353 1.00 0.00 N ATOM 845 CA GLY A 48 -30.390 9.130 -1.943 1.00 0.00 C ATOM 846 C GLY A 48 -30.267 9.919 -0.652 1.00 0.00 C ATOM 847 O GLY A 48 -31.223 10.564 -0.223 1.00 0.00 O ATOM 0 H GLY A 48 -29.031 7.544 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.746 9.790 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -31.141 8.350 -1.817 1.00 0.00 H new ATOM 851 N LEU A 49 -29.091 9.873 -0.030 1.00 0.00 N ATOM 852 CA LEU A 49 -28.863 10.596 1.218 1.00 0.00 C ATOM 853 C LEU A 49 -27.509 11.302 1.207 1.00 0.00 C ATOM 854 O LEU A 49 -26.873 11.458 2.249 1.00 0.00 O ATOM 855 CB LEU A 49 -28.945 9.633 2.407 1.00 0.00 C ATOM 856 CG LEU A 49 -30.304 9.587 3.108 1.00 0.00 C ATOM 857 CD1 LEU A 49 -30.281 8.582 4.249 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.686 10.969 3.618 1.00 0.00 C ATOM 0 H LEU A 49 -28.286 9.346 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.640 11.355 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.697 8.630 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -28.186 9.915 3.137 1.00 0.00 H new ATOM 0 HG LEU A 49 -31.055 9.268 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -31.256 8.562 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -30.052 7.591 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.519 8.871 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.655 10.919 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -29.934 11.316 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -30.743 11.663 2.780 1.00 0.00 H new ATOM 870 N LEU A 50 -27.074 11.729 0.026 1.00 0.00 N ATOM 871 CA LEU A 50 -25.796 12.421 -0.109 1.00 0.00 C ATOM 872 C LEU A 50 -25.883 13.548 -1.134 1.00 0.00 C ATOM 873 O LEU A 50 -26.790 13.579 -1.966 1.00 0.00 O ATOM 874 CB LEU A 50 -24.696 11.435 -0.513 1.00 0.00 C ATOM 875 CG LEU A 50 -23.813 10.944 0.635 1.00 0.00 C ATOM 876 CD1 LEU A 50 -23.206 12.122 1.384 1.00 0.00 C ATOM 877 CD2 LEU A 50 -24.610 10.059 1.584 1.00 0.00 C ATOM 0 H LEU A 50 -27.585 11.609 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.550 12.857 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -25.160 10.571 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -24.062 11.909 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 50 -23.002 10.350 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.581 11.753 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -22.599 12.714 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -24.003 12.743 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -23.964 9.720 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -25.443 10.627 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -24.994 9.196 1.040 1.00 0.00 H new ATOM 889 N GLU A 51 -24.928 14.469 -1.067 1.00 0.00 N ATOM 890 CA GLU A 51 -24.879 15.601 -1.986 1.00 0.00 C ATOM 891 C GLU A 51 -23.429 15.990 -2.271 1.00 0.00 C ATOM 892 O GLU A 51 -22.985 17.079 -1.909 1.00 0.00 O ATOM 893 CB GLU A 51 -25.641 16.792 -1.403 1.00 0.00 C ATOM 894 CG GLU A 51 -27.134 16.545 -1.257 1.00 0.00 C ATOM 895 CD GLU A 51 -27.966 17.763 -1.612 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.796 18.810 -0.952 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.786 17.669 -2.550 1.00 0.00 O ATOM 0 H GLU A 51 -24.173 14.453 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.353 15.309 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.224 17.037 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.485 17.661 -2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.425 15.712 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.351 16.249 -0.231 1.00 0.00 H new ATOM 904 N PRO A 52 -22.671 15.092 -2.921 1.00 0.00 N ATOM 905 CA PRO A 52 -21.261 15.328 -3.252 1.00 0.00 C ATOM 906 C PRO A 52 -21.055 16.595 -4.074 1.00 0.00 C ATOM 907 O PRO A 52 -20.206 17.423 -3.749 1.00 0.00 O ATOM 908 CB PRO A 52 -20.861 14.090 -4.069 1.00 0.00 C ATOM 909 CG PRO A 52 -22.148 13.458 -4.481 1.00 0.00 C ATOM 910 CD PRO A 52 -23.123 13.771 -3.385 1.00 0.00 C ATOM 0 HA PRO A 52 -20.660 15.472 -2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.264 14.368 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.259 13.404 -3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -22.491 13.856 -5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -22.033 12.381 -4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -24.149 13.799 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.089 13.028 -2.588 1.00 0.00 H new ATOM 918 N SER A 53 -21.831 16.740 -5.143 1.00 0.00 N ATOM 919 CA SER A 53 -21.721 17.907 -6.011 1.00 0.00 C ATOM 920 C SER A 53 -21.847 19.203 -5.213 1.00 0.00 C ATOM 921 O SER A 53 -21.274 20.226 -5.583 1.00 0.00 O ATOM 922 CB SER A 53 -22.798 17.860 -7.099 1.00 0.00 C ATOM 923 OG SER A 53 -22.544 16.816 -8.022 1.00 0.00 O ATOM 0 H SER A 53 -22.541 16.066 -5.429 1.00 0.00 H new ATOM 0 HA SER A 53 -20.736 17.887 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.776 17.715 -6.641 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.831 18.814 -7.624 1.00 0.00 H new ATOM 0 HG SER A 53 -23.246 16.806 -8.706 1.00 0.00 H new ATOM 929 N GLU A 54 -22.599 19.151 -4.119 1.00 0.00 N ATOM 930 CA GLU A 54 -22.796 20.324 -3.275 1.00 0.00 C ATOM 931 C GLU A 54 -21.527 20.670 -2.499 1.00 0.00 C ATOM 932 O GLU A 54 -21.084 21.815 -2.501 1.00 0.00 O ATOM 933 CB GLU A 54 -23.953 20.088 -2.302 1.00 0.00 C ATOM 934 CG GLU A 54 -24.427 21.352 -1.603 1.00 0.00 C ATOM 935 CD GLU A 54 -25.938 21.466 -1.568 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.551 20.944 -0.612 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.510 22.078 -2.495 1.00 0.00 O ATOM 0 H GLU A 54 -23.081 18.312 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 54 -23.037 21.165 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.789 19.648 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.643 19.362 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.041 21.366 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.012 22.222 -2.112 1.00 0.00 H new ATOM 944 N LEU A 55 -20.954 19.673 -1.832 1.00 0.00 N ATOM 945 CA LEU A 55 -19.741 19.872 -1.042 1.00 0.00 C ATOM 946 C LEU A 55 -18.479 19.777 -1.900 1.00 0.00 C ATOM 947 O LEU A 55 -17.380 20.076 -1.431 1.00 0.00 O ATOM 948 CB LEU A 55 -19.675 18.844 0.089 1.00 0.00 C ATOM 949 CG LEU A 55 -20.650 19.089 1.242 1.00 0.00 C ATOM 950 CD1 LEU A 55 -20.473 20.493 1.800 1.00 0.00 C ATOM 951 CD2 LEU A 55 -22.084 18.875 0.782 1.00 0.00 C ATOM 0 H LEU A 55 -21.310 18.717 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.785 20.877 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.869 17.855 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.661 18.829 0.488 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.433 18.373 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.175 20.650 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.454 20.613 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.664 21.224 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.764 19.054 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -22.313 19.567 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -22.204 17.851 0.429 1.00 0.00 H new ATOM 963 N GLN A 56 -18.634 19.343 -3.144 1.00 0.00 N ATOM 964 CA GLN A 56 -17.500 19.190 -4.049 1.00 0.00 C ATOM 965 C GLN A 56 -16.780 20.514 -4.285 1.00 0.00 C ATOM 966 O GLN A 56 -15.554 20.548 -4.396 1.00 0.00 O ATOM 967 CB GLN A 56 -17.967 18.608 -5.385 1.00 0.00 C ATOM 968 CG GLN A 56 -17.848 17.096 -5.465 1.00 0.00 C ATOM 969 CD GLN A 56 -18.546 16.519 -6.682 1.00 0.00 C ATOM 970 OE1 GLN A 56 -19.416 15.658 -6.563 1.00 0.00 O ATOM 971 NE2 GLN A 56 -18.164 16.995 -7.862 1.00 0.00 N ATOM 0 H GLN A 56 -19.535 19.090 -3.551 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.795 18.505 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -19.006 18.892 -5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -17.382 19.053 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -16.794 16.819 -5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -18.272 16.654 -4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -17.438 17.709 -7.913 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -18.597 16.646 -8.717 1.00 0.00 H new ATOM 980 N GLY A 57 -17.540 21.597 -4.366 1.00 0.00 N ATOM 981 CA GLY A 57 -16.938 22.900 -4.598 1.00 0.00 C ATOM 982 C GLY A 57 -17.151 23.861 -3.445 1.00 0.00 C ATOM 983 O GLY A 57 -16.354 24.778 -3.241 1.00 0.00 O ATOM 0 H GLY A 57 -18.556 21.600 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.869 22.776 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.357 23.332 -5.507 1.00 0.00 H new ATOM 987 N LEU A 58 -18.226 23.658 -2.691 1.00 0.00 N ATOM 988 CA LEU A 58 -18.539 24.519 -1.556 1.00 0.00 C ATOM 989 C LEU A 58 -17.333 24.687 -0.637 1.00 0.00 C ATOM 990 O LEU A 58 -17.124 25.755 -0.063 1.00 0.00 O ATOM 991 CB LEU A 58 -19.721 23.948 -0.771 1.00 0.00 C ATOM 992 CG LEU A 58 -21.030 24.708 -0.956 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.621 24.437 -2.331 1.00 0.00 C ATOM 994 CD2 LEU A 58 -22.022 24.339 0.137 1.00 0.00 C ATOM 0 H LEU A 58 -18.896 22.904 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.806 25.502 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.872 22.911 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.467 23.940 0.289 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.819 25.775 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.554 24.989 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.917 24.757 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.816 23.370 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.950 24.891 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.226 23.269 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.602 24.592 1.110 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.543 23.629 -0.503 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.369 23.691 0.348 1.00 0.00 C ATOM 1008 C GLY A 59 -14.711 22.338 0.538 1.00 0.00 C ATOM 1009 O GLY A 59 -15.378 21.304 0.507 1.00 0.00 O ATOM 0 H GLY A 59 -16.693 22.733 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.647 24.384 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.652 24.093 1.321 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.396 22.347 0.739 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.644 21.116 0.938 1.00 0.00 C ATOM 1015 C ALA A 60 -12.833 20.581 2.354 1.00 0.00 C ATOM 1016 O ALA A 60 -13.282 19.450 2.545 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.168 21.349 0.653 1.00 0.00 C ATOM 0 H ALA A 60 -12.830 23.195 0.768 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.024 20.369 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.617 20.421 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.044 21.679 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.784 22.114 1.327 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.488 21.399 3.342 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.620 21.008 4.741 1.00 0.00 C ATOM 1025 C LEU A 61 -14.066 20.654 5.072 1.00 0.00 C ATOM 1026 O LEU A 61 -14.329 19.724 5.836 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.138 22.135 5.657 1.00 0.00 C ATOM 1028 CG LEU A 61 -10.631 22.396 5.624 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.283 23.620 6.457 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -9.869 21.176 6.123 1.00 0.00 C ATOM 0 H LEU A 61 -12.115 22.338 3.200 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.001 20.126 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.657 23.053 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.428 21.900 6.681 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.337 22.588 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.207 23.790 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.801 24.492 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.591 23.457 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.798 21.378 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.168 20.954 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.094 20.321 5.486 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.001 21.399 4.491 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.421 21.160 4.724 1.00 0.00 C ATOM 1044 C GLU A 62 -16.854 19.830 4.118 1.00 0.00 C ATOM 1045 O GLU A 62 -17.616 19.078 4.726 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.254 22.299 4.133 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.521 22.595 4.920 1.00 0.00 C ATOM 1048 CD GLU A 62 -19.764 22.583 4.053 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -19.708 23.121 2.926 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -20.794 22.034 4.498 1.00 0.00 O ATOM 0 H GLU A 62 -14.801 22.172 3.856 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.586 21.119 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.643 23.201 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.523 22.047 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.631 21.858 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.427 23.569 5.399 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.362 19.545 2.915 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.699 18.304 2.229 1.00 0.00 C ATOM 1059 C ALA A 63 -16.182 17.094 2.999 1.00 0.00 C ATOM 1060 O ALA A 63 -16.880 16.089 3.135 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.133 18.312 0.816 1.00 0.00 C ATOM 0 H ALA A 63 -15.730 20.156 2.397 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.785 18.231 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.392 17.379 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.553 19.151 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.048 18.412 0.859 1.00 0.00 H new ATOM 1067 N THR A 64 -14.957 17.199 3.502 1.00 0.00 N ATOM 1068 CA THR A 64 -14.348 16.112 4.260 1.00 0.00 C ATOM 1069 C THR A 64 -15.081 15.893 5.579 1.00 0.00 C ATOM 1070 O THR A 64 -15.460 14.770 5.910 1.00 0.00 O ATOM 1071 CB THR A 64 -12.872 16.411 4.526 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.254 16.954 3.373 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.079 15.190 4.939 1.00 0.00 C ATOM 0 H THR A 64 -14.367 18.024 3.399 1.00 0.00 H new ATOM 0 HA THR A 64 -14.424 15.201 3.667 1.00 0.00 H new ATOM 0 HB THR A 64 -12.866 17.124 5.350 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.553 17.879 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.040 15.472 5.112 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.500 14.775 5.855 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.125 14.442 4.148 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.276 16.973 6.327 1.00 0.00 N ATOM 1082 CA ALA A 65 -15.962 16.897 7.611 1.00 0.00 C ATOM 1083 C ALA A 65 -17.408 16.447 7.433 1.00 0.00 C ATOM 1084 O ALA A 65 -17.905 15.608 8.184 1.00 0.00 O ATOM 1085 CB ALA A 65 -15.912 18.243 8.318 1.00 0.00 C ATOM 0 H ALA A 65 -14.969 17.910 6.067 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.449 16.157 8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.428 18.171 9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.873 18.527 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.399 18.997 7.699 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.078 17.008 6.431 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.467 16.660 6.151 1.00 0.00 C ATOM 1093 C TRP A 66 -19.579 15.218 5.671 1.00 0.00 C ATOM 1094 O TRP A 66 -20.494 14.492 6.059 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.050 17.607 5.100 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.548 17.586 5.049 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.405 18.233 5.894 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.365 16.886 4.106 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.705 17.975 5.534 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -23.707 17.152 4.438 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.092 16.059 3.012 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -24.773 16.618 3.716 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.152 15.533 2.295 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -24.477 15.815 2.650 1.00 0.00 C ATOM 0 H TRP A 66 -17.682 17.705 5.800 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.035 16.761 7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.715 18.623 5.310 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -19.656 17.338 4.120 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.104 18.856 6.723 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.534 18.337 6.005 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.073 15.835 2.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -25.796 16.831 3.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -22.954 14.894 1.447 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.282 15.389 2.069 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.641 14.809 4.822 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.633 13.453 4.288 1.00 0.00 C ATOM 1117 C ALA A 67 -18.334 12.433 5.379 1.00 0.00 C ATOM 1118 O ALA A 67 -18.918 11.351 5.408 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.617 13.337 3.161 1.00 0.00 C ATOM 0 H ALA A 67 -17.877 15.398 4.490 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.626 13.240 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.621 12.319 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -17.878 14.032 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.624 13.576 3.541 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.416 12.784 6.275 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.037 11.896 7.368 1.00 0.00 C ATOM 1127 C LEU A 68 -18.208 11.670 8.321 1.00 0.00 C ATOM 1128 O LEU A 68 -18.459 10.546 8.755 1.00 0.00 O ATOM 1129 CB LEU A 68 -15.849 12.477 8.137 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.513 12.438 7.393 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.585 13.528 7.906 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -13.863 11.070 7.540 1.00 0.00 C ATOM 0 H LEU A 68 -16.922 13.676 6.265 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.751 10.936 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.074 13.512 8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -15.741 11.932 9.075 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.702 12.618 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.639 13.485 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.048 14.503 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.402 13.379 8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.913 11.059 7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.687 10.862 8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.522 10.307 7.125 1.00 0.00 H new ATOM 1144 N LYS A 69 -18.917 12.745 8.646 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.057 12.665 9.552 1.00 0.00 C ATOM 1146 C LYS A 69 -21.214 11.900 8.915 1.00 0.00 C ATOM 1147 O LYS A 69 -21.791 11.003 9.532 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.518 14.069 9.947 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.490 14.084 11.115 1.00 0.00 C ATOM 1150 CD LYS A 69 -21.338 15.346 11.948 1.00 0.00 C ATOM 1151 CE LYS A 69 -21.799 16.576 11.184 1.00 0.00 C ATOM 1152 NZ LYS A 69 -22.503 17.548 12.064 1.00 0.00 N ATOM 0 H LYS A 69 -18.722 13.683 8.295 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.739 12.126 10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.646 14.670 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -20.990 14.543 9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -22.511 14.014 10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -21.320 13.209 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -21.917 15.249 12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -20.295 15.467 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.938 17.061 10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.463 16.272 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.800 18.372 11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -23.340 17.094 12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.862 17.858 12.821 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.547 12.256 7.679 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.636 11.602 6.963 1.00 0.00 C ATOM 1168 C VAL A 70 -22.279 10.159 6.624 1.00 0.00 C ATOM 1169 O VAL A 70 -23.113 9.262 6.736 1.00 0.00 O ATOM 1170 CB VAL A 70 -22.992 12.357 5.668 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -21.810 12.375 4.712 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -24.216 11.739 5.006 1.00 0.00 C ATOM 0 H VAL A 70 -21.079 12.993 7.152 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.503 11.611 7.624 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.231 13.388 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -22.084 12.913 3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -20.965 12.873 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -21.532 11.352 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -24.451 12.286 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.010 10.697 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -25.064 11.791 5.689 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.033 9.939 6.215 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.571 8.600 5.869 1.00 0.00 C ATOM 1184 C ALA A 71 -20.800 7.645 7.031 1.00 0.00 C ATOM 1185 O ALA A 71 -21.286 6.528 6.849 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.100 8.627 5.482 1.00 0.00 C ATOM 0 H ALA A 71 -20.327 10.669 6.115 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.144 8.246 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.772 7.619 5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.962 9.282 4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.510 8.999 6.320 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.456 8.101 8.230 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.633 7.302 9.434 1.00 0.00 C ATOM 1194 C GLU A 72 -22.114 7.155 9.762 1.00 0.00 C ATOM 1195 O GLU A 72 -22.559 6.105 10.218 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.898 7.944 10.611 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.925 7.103 11.876 1.00 0.00 C ATOM 1198 CD GLU A 72 -20.669 7.779 13.012 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -21.912 7.672 13.054 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -20.007 8.414 13.859 1.00 0.00 O ATOM 0 H GLU A 72 -20.052 9.023 8.393 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.214 6.312 9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.861 8.124 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.345 8.916 10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.395 6.143 11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.902 6.894 12.190 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.873 8.221 9.533 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.303 8.210 9.813 1.00 0.00 C ATOM 1209 C ASN A 73 -25.053 7.306 8.836 1.00 0.00 C ATOM 1210 O ASN A 73 -25.969 6.582 9.225 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.864 9.633 9.741 1.00 0.00 C ATOM 1212 CG ASN A 73 -25.148 10.211 11.113 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -24.404 9.976 12.065 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -26.232 10.971 11.223 1.00 0.00 N ATOM 0 H ASN A 73 -22.523 9.101 9.155 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.445 7.815 10.819 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.154 10.275 9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.782 9.630 9.154 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -26.475 11.386 12.123 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -26.821 11.140 10.408 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.666 7.365 7.568 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.309 6.564 6.531 1.00 0.00 C ATOM 1223 C GLU A 74 -24.784 5.128 6.504 1.00 0.00 C ATOM 1224 O GLU A 74 -25.555 4.183 6.335 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.104 7.218 5.162 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.319 7.982 4.665 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.657 9.174 5.538 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -27.009 8.964 6.717 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -26.566 10.318 5.042 1.00 0.00 O ATOM 0 H GLU A 74 -23.909 7.960 7.231 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.373 6.521 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.255 7.899 5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.848 6.447 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.137 8.323 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.176 7.309 4.628 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.471 4.969 6.642 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.857 3.645 6.598 1.00 0.00 C ATOM 1238 C LEU A 75 -22.534 3.109 7.994 1.00 0.00 C ATOM 1239 O LEU A 75 -22.783 1.938 8.285 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.582 3.685 5.755 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.794 4.041 4.283 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -21.653 5.541 4.071 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -20.811 3.282 3.403 1.00 0.00 C ATOM 0 H LEU A 75 -22.814 5.736 6.785 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.582 2.969 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.896 4.410 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.096 2.711 5.812 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.805 3.748 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.807 5.776 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -22.396 6.065 4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -20.654 5.859 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.977 3.548 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.792 3.544 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.960 2.210 3.532 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.973 3.957 8.847 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.623 3.526 10.190 1.00 0.00 C ATOM 1257 C GLY A 76 -20.122 3.431 10.401 1.00 0.00 C ATOM 1258 O GLY A 76 -19.665 2.825 11.370 1.00 0.00 O ATOM 0 H GLY A 76 -21.754 4.931 8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.044 4.225 10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.076 2.554 10.385 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.355 4.029 9.495 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.899 4.005 9.591 1.00 0.00 C ATOM 1264 C ILE A 77 -17.389 5.140 10.473 1.00 0.00 C ATOM 1265 O ILE A 77 -17.544 6.316 10.139 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.243 4.116 8.201 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.875 3.114 7.232 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.743 3.888 8.304 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.619 3.439 5.776 1.00 0.00 C ATOM 0 H ILE A 77 -19.716 4.536 8.687 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.626 3.049 10.038 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.412 5.121 7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.487 2.118 7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.951 3.082 7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.294 3.970 7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.306 4.637 8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.553 2.894 8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.096 2.688 5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.031 4.421 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.545 3.443 5.587 1.00 0.00 H new ATOM 1281 N THR A 78 -16.784 4.782 11.600 1.00 0.00 N ATOM 1282 CA THR A 78 -16.254 5.771 12.532 1.00 0.00 C ATOM 1283 C THR A 78 -14.972 6.403 11.992 1.00 0.00 C ATOM 1284 O THR A 78 -14.050 5.696 11.584 1.00 0.00 O ATOM 1285 CB THR A 78 -15.982 5.122 13.891 1.00 0.00 C ATOM 1286 OG1 THR A 78 -17.076 4.316 14.292 1.00 0.00 O ATOM 1287 CG2 THR A 78 -15.726 6.128 14.994 1.00 0.00 C ATOM 0 H THR A 78 -16.648 3.814 11.891 1.00 0.00 H new ATOM 0 HA THR A 78 -17.000 6.557 12.651 1.00 0.00 H new ATOM 0 HB THR A 78 -15.082 4.524 13.749 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.881 3.909 15.162 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.540 5.602 15.930 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.856 6.734 14.739 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.597 6.774 15.107 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.893 7.747 11.981 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.712 8.464 11.484 1.00 0.00 C ATOM 1297 C PRO A 79 -12.429 8.021 12.181 1.00 0.00 C ATOM 1298 O PRO A 79 -12.408 7.817 13.394 1.00 0.00 O ATOM 1299 CB PRO A 79 -14.013 9.929 11.809 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.499 10.002 11.901 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.943 8.673 12.445 1.00 0.00 C ATOM 0 HA PRO A 79 -13.543 8.276 10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.544 10.231 12.745 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.632 10.593 11.033 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.810 10.816 12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.942 10.192 10.923 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.014 8.687 13.533 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.925 8.391 12.065 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.361 7.872 11.404 1.00 0.00 N ATOM 1310 CA VAL A 80 -10.072 7.454 11.945 1.00 0.00 C ATOM 1311 C VAL A 80 -9.011 8.537 11.765 1.00 0.00 C ATOM 1312 O VAL A 80 -7.991 8.538 12.455 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.579 6.154 11.279 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.355 5.612 12.003 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.693 5.117 11.246 1.00 0.00 C ATOM 0 H VAL A 80 -11.362 8.035 10.397 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.224 7.278 13.010 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.292 6.379 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.022 4.694 11.518 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.555 6.351 11.969 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.610 5.402 13.042 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.328 4.206 10.773 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.013 4.894 12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.537 5.508 10.678 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.253 9.460 10.837 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.312 10.544 10.575 1.00 0.00 C ATOM 1327 C VAL A 81 -9.027 11.890 10.533 1.00 0.00 C ATOM 1328 O VAL A 81 -10.241 11.953 10.331 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.565 10.330 9.245 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.443 11.347 9.092 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -7.025 8.911 9.157 1.00 0.00 C ATOM 0 H VAL A 81 -10.091 9.478 10.256 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.590 10.543 11.392 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.270 10.476 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.927 11.180 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.860 12.354 9.105 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.737 11.237 9.915 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.501 8.779 8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.335 8.732 9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.852 8.203 9.215 1.00 0.00 H new ATOM 1341 N SER A 82 -8.270 12.966 10.724 1.00 0.00 N ATOM 1342 CA SER A 82 -8.836 14.311 10.708 1.00 0.00 C ATOM 1343 C SER A 82 -8.947 14.837 9.282 1.00 0.00 C ATOM 1344 O SER A 82 -8.250 14.372 8.380 1.00 0.00 O ATOM 1345 CB SER A 82 -7.977 15.258 11.549 1.00 0.00 C ATOM 1346 OG SER A 82 -8.783 16.177 12.266 1.00 0.00 O ATOM 0 H SER A 82 -7.264 12.933 10.891 1.00 0.00 H new ATOM 0 HA SER A 82 -9.837 14.263 11.137 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.370 14.681 12.246 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.289 15.801 10.902 1.00 0.00 H new ATOM 0 HG SER A 82 -8.230 16.661 12.914 1.00 0.00 H new ATOM 1352 N ALA A 83 -9.830 15.812 9.082 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.032 16.402 7.765 1.00 0.00 C ATOM 1354 C ALA A 83 -8.783 17.136 7.292 1.00 0.00 C ATOM 1355 O ALA A 83 -8.383 17.016 6.134 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.223 17.348 7.790 1.00 0.00 C ATOM 0 H ALA A 83 -10.416 16.209 9.816 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.234 15.595 7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.363 17.782 6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.119 16.797 8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.041 18.143 8.513 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.170 17.897 8.192 1.00 0.00 N ATOM 1363 CA GLN A 84 -6.965 18.654 7.865 1.00 0.00 C ATOM 1364 C GLN A 84 -5.875 17.738 7.315 1.00 0.00 C ATOM 1365 O GLN A 84 -5.244 18.047 6.305 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.450 19.393 9.101 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.191 18.481 10.290 1.00 0.00 C ATOM 1368 CD GLN A 84 -6.420 19.178 11.617 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -5.514 19.807 12.165 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -7.635 19.068 12.143 1.00 0.00 N ATOM 0 H GLN A 84 -8.487 18.007 9.155 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.223 19.382 7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.527 19.914 8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.176 20.154 9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.842 17.609 10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.165 18.116 10.247 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.356 18.537 11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.847 19.515 13.035 1.00 0.00 H new ATOM 1379 N ALA A 85 -5.660 16.612 7.986 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.647 15.653 7.563 1.00 0.00 C ATOM 1381 C ALA A 85 -4.968 15.088 6.184 1.00 0.00 C ATOM 1382 O ALA A 85 -4.074 14.876 5.365 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.527 14.530 8.582 1.00 0.00 C ATOM 0 H ALA A 85 -6.173 16.341 8.825 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.692 16.174 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.767 13.821 8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.243 14.945 9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.485 14.018 8.674 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.250 14.842 5.934 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.688 14.298 4.655 1.00 0.00 C ATOM 1391 C VAL A 86 -6.518 15.320 3.534 1.00 0.00 C ATOM 1392 O VAL A 86 -5.931 15.022 2.493 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.163 13.852 4.708 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.559 13.148 3.416 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.406 12.953 5.912 1.00 0.00 C ATOM 0 H VAL A 86 -7.003 15.011 6.601 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.061 13.430 4.450 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.787 14.739 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.603 12.841 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.427 13.829 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.930 12.269 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.452 12.648 5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.772 12.069 5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.168 13.497 6.826 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.035 16.525 3.753 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.940 17.589 2.760 1.00 0.00 C ATOM 1407 C VAL A 87 -5.487 17.964 2.492 1.00 0.00 C ATOM 1408 O VAL A 87 -5.121 18.304 1.367 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.709 18.847 3.210 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.741 19.881 2.094 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.119 18.483 3.654 1.00 0.00 C ATOM 0 H VAL A 87 -7.524 16.789 4.609 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.388 17.206 1.843 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.188 19.283 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.288 20.762 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.722 20.165 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.236 19.458 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.646 19.384 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.654 18.021 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.069 17.783 4.488 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.663 17.903 3.534 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.249 18.240 3.409 1.00 0.00 C ATOM 1423 C ALA A 88 -2.430 17.047 2.921 1.00 0.00 C ATOM 1424 O ALA A 88 -1.275 17.201 2.521 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.710 18.741 4.739 1.00 0.00 C ATOM 0 H ALA A 88 -4.949 17.624 4.472 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.158 19.032 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.654 18.989 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.263 19.629 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.826 17.964 5.495 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.029 15.859 2.953 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.331 14.666 2.509 1.00 0.00 C ATOM 1433 C GLY A 89 -1.031 14.440 3.259 1.00 0.00 C ATOM 1434 O GLY A 89 -0.061 13.933 2.697 1.00 0.00 O ATOM 0 H GLY A 89 -3.983 15.702 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.979 13.799 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.122 14.747 1.442 1.00 0.00 H new ATOM 1438 N SER A 90 -1.013 14.818 4.534 1.00 0.00 N ATOM 1439 CA SER A 90 0.175 14.657 5.362 1.00 0.00 C ATOM 1440 C SER A 90 0.026 13.465 6.303 1.00 0.00 C ATOM 1441 O SER A 90 0.448 13.516 7.458 1.00 0.00 O ATOM 1442 CB SER A 90 0.434 15.930 6.170 1.00 0.00 C ATOM 1443 OG SER A 90 1.822 16.197 6.268 1.00 0.00 O ATOM 0 H SER A 90 -1.808 15.238 5.015 1.00 0.00 H new ATOM 0 HA SER A 90 1.024 14.473 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.069 16.773 5.697 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.009 15.824 7.168 1.00 0.00 H new ATOM 0 HG SER A 90 1.962 17.016 6.788 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.578 12.393 5.800 1.00 0.00 N ATOM 1450 CA ASP A 91 -0.782 11.188 6.597 1.00 0.00 C ATOM 1451 C ASP A 91 -1.125 9.996 5.703 1.00 0.00 C ATOM 1452 O ASP A 91 -2.273 9.559 5.650 1.00 0.00 O ATOM 1453 CB ASP A 91 -1.897 11.411 7.620 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.685 10.606 8.889 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -0.519 10.275 9.194 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.683 10.308 9.577 1.00 0.00 O ATOM 0 H ASP A 91 -0.934 12.334 4.846 1.00 0.00 H new ATOM 0 HA ASP A 91 0.146 10.969 7.124 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.951 12.471 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.854 11.139 7.176 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.124 9.455 4.985 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.324 8.308 4.093 1.00 0.00 C ATOM 1463 C PRO A 92 -0.791 7.065 4.843 1.00 0.00 C ATOM 1464 O PRO A 92 -1.684 6.351 4.387 1.00 0.00 O ATOM 1465 CB PRO A 92 1.064 8.075 3.481 1.00 0.00 C ATOM 1466 CG PRO A 92 2.015 8.742 4.414 1.00 0.00 C ATOM 1467 CD PRO A 92 1.274 9.912 4.991 1.00 0.00 C ATOM 0 HA PRO A 92 -1.100 8.503 3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.281 7.011 3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.130 8.500 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.336 8.058 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.913 9.069 3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.616 10.149 5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.407 10.811 4.389 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.181 6.812 5.998 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.535 5.654 6.810 1.00 0.00 C ATOM 1477 C LEU A 93 -2.006 5.704 7.215 1.00 0.00 C ATOM 1478 O LEU A 93 -2.699 4.686 7.197 1.00 0.00 O ATOM 1479 CB LEU A 93 0.349 5.592 8.058 1.00 0.00 C ATOM 1480 CG LEU A 93 1.564 4.669 7.944 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.490 5.140 6.834 1.00 0.00 C ATOM 1482 CD2 LEU A 93 2.307 4.603 9.270 1.00 0.00 C ATOM 0 H LEU A 93 0.559 7.393 6.391 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.372 4.757 6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.697 6.599 8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.260 5.264 8.900 1.00 0.00 H new ATOM 0 HG LEU A 93 1.214 3.667 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.348 4.471 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.953 5.136 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.834 6.151 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.168 3.942 9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.645 5.601 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.641 4.218 10.042 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.476 6.893 7.577 1.00 0.00 N ATOM 1495 CA GLY A 94 -3.861 7.051 7.978 1.00 0.00 C ATOM 1496 C GLY A 94 -4.821 6.931 6.811 1.00 0.00 C ATOM 1497 O GLY A 94 -5.893 6.338 6.937 1.00 0.00 O ATOM 0 H GLY A 94 -1.923 7.749 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.107 6.297 8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.990 8.024 8.452 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.436 7.495 5.670 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.269 7.450 4.475 1.00 0.00 C ATOM 1503 C LEU A 95 -5.531 6.008 4.049 1.00 0.00 C ATOM 1504 O LEU A 95 -6.650 5.652 3.680 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.601 8.217 3.332 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.566 8.864 2.337 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -6.543 7.836 1.793 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.312 10.019 2.991 1.00 0.00 C ATOM 0 H LEU A 95 -3.552 7.989 5.549 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.224 7.921 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.967 8.994 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.947 7.534 2.789 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.986 9.258 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.221 8.316 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.993 7.044 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.118 7.410 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.994 10.467 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.880 9.649 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.597 10.769 3.329 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.491 5.182 4.104 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.611 3.779 3.724 1.00 0.00 C ATOM 1522 C ILE A 96 -5.494 3.019 4.709 1.00 0.00 C ATOM 1523 O ILE A 96 -6.312 2.189 4.313 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.231 3.095 3.652 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.285 3.901 2.760 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.369 1.670 3.135 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -0.823 3.715 3.107 1.00 0.00 C ATOM 0 H ILE A 96 -3.557 5.459 4.407 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.069 3.756 2.735 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.810 3.056 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.443 3.612 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.537 4.959 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.385 1.202 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.012 1.100 3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.809 1.686 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.210 4.315 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.650 4.031 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.555 2.664 3.001 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.323 3.310 5.996 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.105 2.655 7.039 1.00 0.00 C ATOM 1541 C ALA A 97 -7.599 2.868 6.817 1.00 0.00 C ATOM 1542 O ALA A 97 -8.392 1.931 6.916 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.693 3.171 8.409 1.00 0.00 C ATOM 0 H ALA A 97 -4.650 3.995 6.341 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.906 1.584 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.284 2.674 9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.636 2.963 8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.863 4.246 8.459 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.978 4.106 6.517 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.375 4.442 6.281 1.00 0.00 C ATOM 1551 C TYR A 98 -9.897 3.743 5.029 1.00 0.00 C ATOM 1552 O TYR A 98 -11.018 3.233 5.012 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.541 5.957 6.138 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.894 6.463 6.583 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.373 6.193 7.859 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.693 7.210 5.727 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.610 6.653 8.270 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.932 7.674 6.129 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.385 7.394 7.402 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.616 7.854 7.806 1.00 0.00 O ATOM 0 H TYR A 98 -7.335 4.893 6.432 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.955 4.099 7.138 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.766 6.455 6.721 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.384 6.234 5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.769 5.614 8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.341 7.432 4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.968 6.434 9.265 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.542 8.252 5.451 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.786 7.568 8.728 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.076 3.723 3.984 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.454 3.085 2.729 1.00 0.00 C ATOM 1572 C LEU A 99 -9.775 1.610 2.940 1.00 0.00 C ATOM 1573 O LEU A 99 -10.633 1.046 2.261 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.331 3.235 1.700 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.790 3.588 0.286 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -9.557 4.902 0.288 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -7.599 3.667 -0.658 1.00 0.00 C ATOM 0 H LEU A 99 -8.146 4.141 3.982 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.350 3.580 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.644 4.007 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.769 2.302 1.660 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.456 2.800 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.876 5.138 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -10.432 4.812 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.913 5.699 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.945 3.919 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.908 4.434 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.089 2.704 -0.682 1.00 0.00 H new ATOM 1589 N SER A 100 -9.079 0.988 3.888 1.00 0.00 N ATOM 1590 CA SER A 100 -9.291 -0.423 4.191 1.00 0.00 C ATOM 1591 C SER A 100 -10.717 -0.666 4.675 1.00 0.00 C ATOM 1592 O SER A 100 -11.381 -1.605 4.236 1.00 0.00 O ATOM 1593 CB SER A 100 -8.293 -0.893 5.249 1.00 0.00 C ATOM 1594 OG SER A 100 -8.227 -2.309 5.293 1.00 0.00 O ATOM 0 H SER A 100 -8.364 1.439 4.459 1.00 0.00 H new ATOM 0 HA SER A 100 -9.135 -0.994 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.306 -0.486 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.586 -0.509 6.226 1.00 0.00 H new ATOM 0 HG SER A 100 -7.581 -2.585 5.976 1.00 0.00 H new ATOM 1600 N HIS A 101 -11.182 0.186 5.582 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.530 0.065 6.127 1.00 0.00 C ATOM 1602 C HIS A 101 -13.576 0.232 5.028 1.00 0.00 C ATOM 1603 O HIS A 101 -14.533 -0.537 4.947 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.756 1.108 7.224 1.00 0.00 C ATOM 1605 CG HIS A 101 -13.869 0.758 8.161 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -14.962 0.005 7.786 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -14.054 1.061 9.468 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -15.772 -0.137 8.819 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -15.244 0.493 9.852 1.00 0.00 N ATOM 0 H HIS A 101 -10.645 0.969 5.956 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.634 -0.931 6.557 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.835 1.228 7.795 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.971 2.071 6.760 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -15.120 -0.382 6.856 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.390 1.641 10.092 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -16.707 -0.677 8.819 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.384 1.240 4.184 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.309 1.508 3.090 1.00 0.00 C ATOM 1620 C PHE A 102 -14.274 0.381 2.062 1.00 0.00 C ATOM 1621 O PHE A 102 -15.316 -0.089 1.605 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.965 2.837 2.416 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.453 4.038 3.175 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -14.167 4.186 4.522 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.198 5.020 2.540 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -14.614 5.291 5.223 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -15.647 6.127 3.235 1.00 0.00 C ATOM 1628 CZ PHE A 102 -15.355 6.262 4.579 1.00 0.00 C ATOM 0 H PHE A 102 -12.596 1.885 4.237 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.315 1.569 3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.884 2.906 2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.396 2.850 1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -13.588 3.430 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -15.430 4.919 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.384 5.394 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -16.225 6.886 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 102 -15.706 7.125 5.125 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.068 -0.046 1.702 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.895 -1.116 0.727 1.00 0.00 C ATOM 1640 C HIS A 103 -13.472 -2.429 1.250 1.00 0.00 C ATOM 1641 O HIS A 103 -14.261 -3.086 0.572 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.411 -1.294 0.395 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.146 -2.364 -0.620 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -11.996 -3.122 -1.351 1.00 0.00 N flip ATOM 1645 CD2 HIS A 103 -9.876 -2.759 -0.981 1.00 0.00 C flip ATOM 1646 CE1 HIS A 103 -11.230 -3.953 -2.131 1.00 0.00 C flip ATOM 1647 NE2 HIS A 103 -9.955 -3.714 -1.890 1.00 0.00 N flip ATOM 0 H HIS A 103 -12.196 0.333 2.071 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.434 -0.840 -0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.014 -0.348 0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.869 -1.531 1.310 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -13.015 -3.083 -1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.959 -2.351 -0.583 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.610 -4.684 -2.829 1.00 0.00 H new ATOM 1656 N SER A 104 -13.073 -2.804 2.462 1.00 0.00 N ATOM 1657 CA SER A 104 -13.550 -4.039 3.075 1.00 0.00 C ATOM 1658 C SER A 104 -15.063 -4.008 3.266 1.00 0.00 C ATOM 1659 O SER A 104 -15.721 -5.049 3.246 1.00 0.00 O ATOM 1660 CB SER A 104 -12.859 -4.261 4.422 1.00 0.00 C ATOM 1661 OG SER A 104 -12.686 -5.643 4.685 1.00 0.00 O ATOM 0 H SER A 104 -12.422 -2.271 3.038 1.00 0.00 H new ATOM 0 HA SER A 104 -13.306 -4.864 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.889 -3.763 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.451 -3.808 5.217 1.00 0.00 H new ATOM 0 HG SER A 104 -12.241 -5.758 5.550 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.609 -2.812 3.453 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.046 -2.649 3.650 1.00 0.00 C ATOM 1669 C ALA A 105 -17.800 -2.743 2.328 1.00 0.00 C ATOM 1670 O ALA A 105 -18.896 -3.299 2.266 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.336 -1.321 4.331 1.00 0.00 C ATOM 0 H ALA A 105 -15.079 -1.941 3.472 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.392 -3.459 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.411 -1.212 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -16.838 -1.293 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -16.967 -0.505 3.710 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.209 -2.192 1.272 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.830 -2.212 -0.047 1.00 0.00 C ATOM 1679 C PHE A 106 -17.610 -3.554 -0.739 1.00 0.00 C ATOM 1680 O PHE A 106 -18.489 -4.049 -1.446 1.00 0.00 O ATOM 1681 CB PHE A 106 -17.274 -1.081 -0.915 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.350 0.276 -0.269 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -18.381 0.589 0.605 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -16.390 1.239 -0.538 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -18.451 1.836 1.198 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -16.456 2.487 0.052 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.487 2.785 0.920 1.00 0.00 C ATOM 0 H PHE A 106 -16.302 -1.727 1.304 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.902 -2.066 0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -16.234 -1.300 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -17.822 -1.056 -1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -19.137 -0.150 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -15.581 1.011 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -19.258 2.067 1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -15.702 3.228 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 106 -17.540 3.760 1.382 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.434 -4.138 -0.534 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.104 -5.422 -1.142 1.00 0.00 C ATOM 1699 C LYS A 107 -17.104 -6.497 -0.727 1.00 0.00 C ATOM 1700 O LYS A 107 -17.452 -7.375 -1.517 1.00 0.00 O ATOM 1701 CB LYS A 107 -14.688 -5.849 -0.751 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.006 -6.723 -1.792 1.00 0.00 C ATOM 1703 CD LYS A 107 -13.208 -7.843 -1.146 1.00 0.00 C ATOM 1704 CE LYS A 107 -12.308 -8.539 -2.154 1.00 0.00 C ATOM 1705 NZ LYS A 107 -11.000 -7.845 -2.305 1.00 0.00 N ATOM 0 H LYS A 107 -15.695 -3.743 0.047 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.154 -5.304 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.082 -4.958 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -14.729 -6.389 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.756 -7.148 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -13.344 -6.111 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.603 -7.439 -0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.890 -8.569 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.138 -9.568 -1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.810 -8.581 -3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.417 -8.352 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.160 -6.870 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.508 -7.827 -1.389 1.00 0.00 H new