USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 76 SER OG : rot -130:sc= 0.573 USER MOD Set 1.2: A 80 CYS SG : rot -89:sc= 1.13 USER MOD Set 1.3: A 82 THR OG1 : rot 178:sc= 0.764 USER MOD Set 2.1: A 65 TYR OH : rot -66:sc= 0.387 USER MOD Set 2.2: A 99 ASN : amide:sc= -2.23 K(o=-2.6,f=-3.6) USER MOD Set 2.3: A 102 GLN : amide:sc= -0.716 K(o=-2.6,f=-3.6) USER MOD Set 2.4: A 147 ASN : amide:sc= -0.023 K(o=-2.6,f=-3.6!) USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= -0.797 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -110:sc= -0.828 (180deg=-1.35) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl -157:sc= -0.257 (180deg=-0.665) USER MOD Single : A 41 THR OG1 : rot -11:sc= 1.17 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.336 K(o=0.34,f=-3.6!) USER MOD Single : A 59 TYR OH : rot 153:sc= -0.0247 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.75 USER MOD Single : A 67 TYR OH : rot -179:sc= 1.24 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.49 K(o=-0.49,f=-4.3!) USER MOD Single : A 73 SER OG : rot 37:sc= 0.484 USER MOD Single : A 81 GLN : amide:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -170:sc= -0.911 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -154:sc= -0.406 (180deg=-1.47) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.0706 F(o=-0.77,f=-0.071) USER MOD Single : A 140 HIS : no HD1:sc= -0.0793 K(o=-0.079,f=-0.78) USER MOD Single : A 143 CYS SG : rot -60:sc= -0.0554 USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.016 -6.194 -3.505 1.00 0.00 N ATOM 235 CA THR A 19 9.900 -6.075 -4.435 1.00 0.00 C ATOM 236 C THR A 19 8.607 -6.586 -3.811 1.00 0.00 C ATOM 237 O THR A 19 7.686 -5.813 -3.544 1.00 0.00 O ATOM 238 CB THR A 19 10.170 -6.850 -5.738 1.00 0.00 C ATOM 239 OG1 THR A 19 10.434 -8.227 -5.444 1.00 0.00 O ATOM 240 CG2 THR A 19 11.350 -6.252 -6.490 1.00 0.00 C ATOM 0 HA THR A 19 9.793 -5.015 -4.667 1.00 0.00 H new ATOM 0 HB THR A 19 9.283 -6.777 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.603 -8.713 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.521 -6.816 -7.407 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.134 -5.213 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.241 -6.298 -5.864 1.00 0.00 H new ATOM 248 N LYS A 20 8.543 -7.893 -3.581 1.00 0.00 N ATOM 249 CA LYS A 20 7.363 -8.509 -2.986 1.00 0.00 C ATOM 250 C LYS A 20 7.238 -8.136 -1.513 1.00 0.00 C ATOM 251 O LYS A 20 8.209 -7.710 -0.886 1.00 0.00 O ATOM 252 CB LYS A 20 7.426 -10.031 -3.135 1.00 0.00 C ATOM 253 CG LYS A 20 6.810 -10.543 -4.425 1.00 0.00 C ATOM 254 CD LYS A 20 7.759 -10.378 -5.600 1.00 0.00 C ATOM 255 CE LYS A 20 8.648 -11.600 -5.774 1.00 0.00 C ATOM 256 NZ LYS A 20 7.967 -12.675 -6.547 1.00 0.00 N ATOM 0 H LYS A 20 9.295 -8.547 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 20 6.485 -8.135 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.468 -10.349 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.914 -10.492 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.549 -11.595 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.884 -10.005 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.185 -10.211 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.379 -9.495 -5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.566 -11.311 -6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.935 -11.983 -4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.605 -13.490 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.104 -12.969 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.716 -12.318 -7.491 1.00 0.00 H new ATOM 270 N PHE A 21 6.039 -8.300 -0.964 1.00 0.00 N ATOM 271 CA PHE A 21 5.789 -7.981 0.436 1.00 0.00 C ATOM 272 C PHE A 21 4.607 -8.783 0.974 1.00 0.00 C ATOM 273 O PHE A 21 3.539 -8.823 0.362 1.00 0.00 O ATOM 274 CB PHE A 21 5.521 -6.484 0.600 1.00 0.00 C ATOM 275 CG PHE A 21 6.732 -5.628 0.361 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.636 -5.384 1.382 1.00 0.00 C ATOM 277 CD2 PHE A 21 6.965 -5.069 -0.885 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.752 -4.597 1.165 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.080 -4.282 -1.108 1.00 0.00 C ATOM 280 CZ PHE A 21 8.973 -4.045 -0.082 1.00 0.00 C ATOM 0 H PHE A 21 5.225 -8.652 -1.468 1.00 0.00 H new ATOM 0 HA PHE A 21 6.677 -8.249 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.733 -6.186 -0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.148 -6.298 1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.467 -5.813 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.269 -5.250 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.450 -4.414 1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.252 -3.853 -2.084 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.843 -3.429 -0.254 1.00 0.00 H new ATOM 290 N LYS A 22 4.806 -9.421 2.122 1.00 0.00 N ATOM 291 CA LYS A 22 3.758 -10.222 2.745 1.00 0.00 C ATOM 292 C LYS A 22 2.679 -9.330 3.351 1.00 0.00 C ATOM 293 O LYS A 22 2.872 -8.741 4.415 1.00 0.00 O ATOM 294 CB LYS A 22 4.354 -11.126 3.826 1.00 0.00 C ATOM 295 CG LYS A 22 4.964 -12.405 3.280 1.00 0.00 C ATOM 296 CD LYS A 22 6.118 -12.113 2.335 1.00 0.00 C ATOM 297 CE LYS A 22 6.711 -13.394 1.766 1.00 0.00 C ATOM 298 NZ LYS A 22 5.669 -14.260 1.148 1.00 0.00 N ATOM 0 H LYS A 22 5.684 -9.399 2.641 1.00 0.00 H new ATOM 0 HA LYS A 22 3.301 -10.841 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.119 -10.572 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.575 -11.382 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.316 -13.023 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.200 -12.979 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.770 -11.478 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.891 -11.557 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.466 -13.145 1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.217 -13.944 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.530 -15.108 1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.774 -13.734 1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.974 -14.544 0.195 1.00 0.00 H new ATOM 312 N VAL A 23 1.543 -9.236 2.668 1.00 0.00 N ATOM 313 CA VAL A 23 0.432 -8.418 3.140 1.00 0.00 C ATOM 314 C VAL A 23 -0.781 -9.278 3.475 1.00 0.00 C ATOM 315 O VAL A 23 -0.857 -10.443 3.083 1.00 0.00 O ATOM 316 CB VAL A 23 0.027 -7.363 2.093 1.00 0.00 C ATOM 317 CG1 VAL A 23 1.205 -6.461 1.759 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.512 -8.037 0.840 1.00 0.00 C ATOM 0 H VAL A 23 1.368 -9.716 1.785 1.00 0.00 H new ATOM 0 HA VAL A 23 0.774 -7.911 4.042 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.765 -6.743 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.899 -5.723 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.540 -5.951 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.021 -7.062 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.793 -7.277 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.257 -8.682 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.386 -8.636 1.096 1.00 0.00 H new ATOM 328 N THR A 24 -1.730 -8.697 4.202 1.00 0.00 N ATOM 329 CA THR A 24 -2.940 -9.410 4.591 1.00 0.00 C ATOM 330 C THR A 24 -4.178 -8.546 4.384 1.00 0.00 C ATOM 331 O THR A 24 -4.382 -7.559 5.089 1.00 0.00 O ATOM 332 CB THR A 24 -2.880 -9.857 6.064 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.700 -10.635 6.292 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.110 -10.673 6.432 1.00 0.00 C ATOM 0 H THR A 24 -1.684 -7.733 4.534 1.00 0.00 H new ATOM 0 HA THR A 24 -3.005 -10.292 3.954 1.00 0.00 H new ATOM 0 HB THR A 24 -2.854 -8.965 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.669 -10.914 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.045 -10.978 7.477 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.005 -10.069 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.162 -11.558 5.798 1.00 0.00 H new ATOM 342 N ASN A 25 -5.002 -8.924 3.412 1.00 0.00 N ATOM 343 CA ASN A 25 -6.222 -8.183 3.112 1.00 0.00 C ATOM 344 C ASN A 25 -7.221 -8.293 4.260 1.00 0.00 C ATOM 345 O ASN A 25 -7.438 -9.374 4.807 1.00 0.00 O ATOM 346 CB ASN A 25 -6.854 -8.701 1.819 1.00 0.00 C ATOM 347 CG ASN A 25 -8.097 -7.924 1.431 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.213 -8.440 1.503 1.00 0.00 O ATOM 349 ND2 ASN A 25 -7.910 -6.676 1.017 1.00 0.00 N ATOM 0 H ASN A 25 -4.847 -9.739 2.819 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.958 -7.133 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.124 -8.640 1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.110 -9.754 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.709 -6.104 0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.967 -6.289 0.973 1.00 0.00 H new ATOM 356 N VAL A 26 -7.828 -7.166 4.619 1.00 0.00 N ATOM 357 CA VAL A 26 -8.807 -7.136 5.700 1.00 0.00 C ATOM 358 C VAL A 26 -10.011 -6.279 5.327 1.00 0.00 C ATOM 359 O VAL A 26 -10.082 -5.735 4.225 1.00 0.00 O ATOM 360 CB VAL A 26 -8.188 -6.593 7.002 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.972 -7.416 7.399 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.820 -5.126 6.845 1.00 0.00 C ATOM 0 H VAL A 26 -7.659 -6.262 4.177 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.132 -8.164 5.862 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.928 -6.675 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.548 -7.018 8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.270 -8.453 7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.226 -7.368 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.384 -4.759 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.097 -5.017 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.715 -4.549 6.611 1.00 0.00 H new ATOM 372 N ASP A 27 -10.957 -6.163 6.253 1.00 0.00 N ATOM 373 CA ASP A 27 -12.159 -5.371 6.022 1.00 0.00 C ATOM 374 C ASP A 27 -12.150 -4.108 6.879 1.00 0.00 C ATOM 375 O ASP A 27 -11.172 -3.821 7.568 1.00 0.00 O ATOM 376 CB ASP A 27 -13.408 -6.200 6.327 1.00 0.00 C ATOM 377 CG ASP A 27 -13.470 -6.644 7.775 1.00 0.00 C ATOM 378 OD1 ASP A 27 -13.334 -5.780 8.667 1.00 0.00 O ATOM 379 OD2 ASP A 27 -13.654 -7.855 8.017 1.00 0.00 O ATOM 0 H ASP A 27 -10.914 -6.607 7.170 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.175 -5.077 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.296 -5.613 6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.425 -7.077 5.680 1.00 0.00 H new ATOM 384 N ASP A 28 -13.246 -3.359 6.829 1.00 0.00 N ATOM 385 CA ASP A 28 -13.364 -2.126 7.600 1.00 0.00 C ATOM 386 C ASP A 28 -12.912 -2.341 9.041 1.00 0.00 C ATOM 387 O ASP A 28 -12.151 -1.544 9.588 1.00 0.00 O ATOM 388 CB ASP A 28 -14.808 -1.622 7.576 1.00 0.00 C ATOM 389 CG ASP A 28 -15.035 -0.471 8.537 1.00 0.00 C ATOM 390 OD1 ASP A 28 -14.156 0.412 8.623 1.00 0.00 O ATOM 391 OD2 ASP A 28 -16.091 -0.453 9.203 1.00 0.00 O ATOM 0 H ASP A 28 -14.065 -3.583 6.264 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.717 -1.377 7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.062 -1.303 6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.480 -2.442 7.830 1.00 0.00 H new ATOM 396 N GLU A 29 -13.386 -3.424 9.650 1.00 0.00 N ATOM 397 CA GLU A 29 -13.031 -3.742 11.028 1.00 0.00 C ATOM 398 C GLU A 29 -11.557 -4.121 11.136 1.00 0.00 C ATOM 399 O GLU A 29 -10.842 -3.633 12.011 1.00 0.00 O ATOM 400 CB GLU A 29 -13.902 -4.885 11.552 1.00 0.00 C ATOM 401 CG GLU A 29 -15.248 -4.427 12.090 1.00 0.00 C ATOM 402 CD GLU A 29 -16.210 -5.579 12.310 1.00 0.00 C ATOM 403 OE1 GLU A 29 -16.711 -6.134 11.310 1.00 0.00 O ATOM 404 OE2 GLU A 29 -16.462 -5.924 13.484 1.00 0.00 O ATOM 0 H GLU A 29 -14.016 -4.095 9.211 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.206 -2.854 11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.067 -5.603 10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.363 -5.408 12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.098 -3.899 13.031 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.691 -3.716 11.393 1.00 0.00 H new ATOM 411 N GLY A 30 -11.109 -4.995 10.240 1.00 0.00 N ATOM 412 CA GLY A 30 -9.723 -5.426 10.252 1.00 0.00 C ATOM 413 C GLY A 30 -9.585 -6.931 10.372 1.00 0.00 C ATOM 414 O GLY A 30 -8.539 -7.435 10.782 1.00 0.00 O ATOM 0 H GLY A 30 -11.681 -5.412 9.506 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.234 -5.091 9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.205 -4.949 11.084 1.00 0.00 H new ATOM 418 N VAL A 31 -10.643 -7.651 10.015 1.00 0.00 N ATOM 419 CA VAL A 31 -10.636 -9.108 10.086 1.00 0.00 C ATOM 420 C VAL A 31 -9.864 -9.710 8.917 1.00 0.00 C ATOM 421 O VAL A 31 -10.122 -9.388 7.758 1.00 0.00 O ATOM 422 CB VAL A 31 -12.067 -9.677 10.089 1.00 0.00 C ATOM 423 CG1 VAL A 31 -12.041 -11.186 10.277 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.902 -9.010 11.172 1.00 0.00 C ATOM 0 H VAL A 31 -11.516 -7.250 9.674 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.144 -9.378 11.021 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.527 -9.464 9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.061 -11.570 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.480 -11.645 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.563 -11.426 11.227 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.910 -9.424 11.160 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.447 -9.191 12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.948 -7.937 10.987 1.00 0.00 H new ATOM 434 N GLU A 32 -8.915 -10.587 9.231 1.00 0.00 N ATOM 435 CA GLU A 32 -8.105 -11.235 8.206 1.00 0.00 C ATOM 436 C GLU A 32 -8.980 -12.039 7.249 1.00 0.00 C ATOM 437 O GLU A 32 -9.589 -13.037 7.637 1.00 0.00 O ATOM 438 CB GLU A 32 -7.061 -12.149 8.852 1.00 0.00 C ATOM 439 CG GLU A 32 -6.036 -11.405 9.690 1.00 0.00 C ATOM 440 CD GLU A 32 -5.485 -12.249 10.823 1.00 0.00 C ATOM 441 OE1 GLU A 32 -5.542 -13.492 10.717 1.00 0.00 O ATOM 442 OE2 GLU A 32 -4.998 -11.668 11.815 1.00 0.00 O ATOM 0 H GLU A 32 -8.689 -10.865 10.186 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.594 -10.458 7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.570 -12.880 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.544 -12.705 8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.215 -11.082 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.493 -10.505 10.101 1.00 0.00 H new ATOM 449 N LEU A 33 -9.037 -11.598 5.997 1.00 0.00 N ATOM 450 CA LEU A 33 -9.837 -12.276 4.983 1.00 0.00 C ATOM 451 C LEU A 33 -8.970 -13.198 4.131 1.00 0.00 C ATOM 452 O LEU A 33 -9.132 -14.417 4.156 1.00 0.00 O ATOM 453 CB LEU A 33 -10.541 -11.252 4.092 1.00 0.00 C ATOM 454 CG LEU A 33 -11.477 -10.274 4.804 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.908 -9.163 3.858 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.691 -11.006 5.358 1.00 0.00 C ATOM 0 H LEU A 33 -8.539 -10.774 5.660 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.587 -12.882 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.781 -10.677 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.116 -11.790 3.338 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.937 -9.825 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.573 -8.477 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.029 -8.621 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.431 -9.594 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.346 -10.295 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.232 -11.483 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.365 -11.765 6.069 1.00 0.00 H new ATOM 468 N GLY A 34 -8.047 -12.605 3.379 1.00 0.00 N ATOM 469 CA GLY A 34 -7.167 -13.388 2.532 1.00 0.00 C ATOM 470 C GLY A 34 -5.780 -12.784 2.422 1.00 0.00 C ATOM 471 O GLY A 34 -5.621 -11.661 1.945 1.00 0.00 O ATOM 0 H GLY A 34 -7.894 -11.597 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.089 -14.399 2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.604 -13.471 1.537 1.00 0.00 H new ATOM 475 N SER A 35 -4.775 -13.531 2.868 1.00 0.00 N ATOM 476 CA SER A 35 -3.395 -13.061 2.822 1.00 0.00 C ATOM 477 C SER A 35 -2.772 -13.335 1.457 1.00 0.00 C ATOM 478 O SER A 35 -3.017 -14.375 0.848 1.00 0.00 O ATOM 479 CB SER A 35 -2.568 -13.736 3.918 1.00 0.00 C ATOM 480 OG SER A 35 -3.116 -13.483 5.200 1.00 0.00 O ATOM 0 H SER A 35 -4.890 -14.463 3.265 1.00 0.00 H new ATOM 0 HA SER A 35 -3.398 -11.984 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.532 -14.811 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.541 -13.372 3.880 1.00 0.00 H new ATOM 0 HG SER A 35 -2.570 -13.926 5.882 1.00 0.00 H new ATOM 486 N GLY A 36 -1.965 -12.391 0.982 1.00 0.00 N ATOM 487 CA GLY A 36 -1.319 -12.549 -0.308 1.00 0.00 C ATOM 488 C GLY A 36 -0.020 -11.773 -0.405 1.00 0.00 C ATOM 489 O GLY A 36 0.309 -10.986 0.483 1.00 0.00 O ATOM 0 H GLY A 36 -1.747 -11.521 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.121 -13.606 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.997 -12.216 -1.094 1.00 0.00 H new ATOM 493 N VAL A 37 0.722 -11.996 -1.485 1.00 0.00 N ATOM 494 CA VAL A 37 1.993 -11.312 -1.694 1.00 0.00 C ATOM 495 C VAL A 37 1.839 -10.154 -2.674 1.00 0.00 C ATOM 496 O VAL A 37 1.458 -10.351 -3.827 1.00 0.00 O ATOM 497 CB VAL A 37 3.069 -12.278 -2.222 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.357 -11.528 -2.528 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.319 -13.397 -1.222 1.00 0.00 C ATOM 0 H VAL A 37 0.465 -12.645 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 37 2.308 -10.924 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 37 2.707 -12.724 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.106 -12.227 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.164 -10.767 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.725 -11.052 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.082 -14.070 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.659 -12.972 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.395 -13.952 -1.059 1.00 0.00 H new ATOM 509 N MET A 38 2.138 -8.947 -2.206 1.00 0.00 N ATOM 510 CA MET A 38 2.035 -7.757 -3.042 1.00 0.00 C ATOM 511 C MET A 38 3.325 -7.528 -3.824 1.00 0.00 C ATOM 512 O MET A 38 4.392 -7.349 -3.238 1.00 0.00 O ATOM 513 CB MET A 38 1.721 -6.530 -2.184 1.00 0.00 C ATOM 514 CG MET A 38 1.638 -5.237 -2.979 1.00 0.00 C ATOM 515 SD MET A 38 0.827 -3.911 -2.066 1.00 0.00 S ATOM 516 CE MET A 38 -0.854 -4.524 -1.999 1.00 0.00 C ATOM 0 H MET A 38 2.453 -8.767 -1.253 1.00 0.00 H new ATOM 0 HA MET A 38 1.223 -7.912 -3.752 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.775 -6.691 -1.668 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.489 -6.427 -1.417 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.644 -4.920 -3.256 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.095 -5.419 -3.906 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.540 -3.690 -1.850 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.095 -5.029 -2.935 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.952 -5.227 -1.172 1.00 0.00 H new ATOM 526 N GLU A 39 3.219 -7.535 -5.149 1.00 0.00 N ATOM 527 CA GLU A 39 4.378 -7.329 -6.009 1.00 0.00 C ATOM 528 C GLU A 39 4.294 -5.982 -6.722 1.00 0.00 C ATOM 529 O GLU A 39 3.268 -5.642 -7.312 1.00 0.00 O ATOM 530 CB GLU A 39 4.485 -8.457 -7.037 1.00 0.00 C ATOM 531 CG GLU A 39 5.618 -8.268 -8.032 1.00 0.00 C ATOM 532 CD GLU A 39 5.765 -9.444 -8.978 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.975 -10.575 -8.492 1.00 0.00 O ATOM 534 OE2 GLU A 39 5.671 -9.233 -10.205 1.00 0.00 O ATOM 0 H GLU A 39 2.343 -7.681 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 39 5.269 -7.333 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.627 -9.402 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.543 -8.532 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.441 -7.361 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.552 -8.123 -7.490 1.00 0.00 H new ATOM 541 N LEU A 40 5.380 -5.220 -6.663 1.00 0.00 N ATOM 542 CA LEU A 40 5.431 -3.910 -7.303 1.00 0.00 C ATOM 543 C LEU A 40 6.396 -3.917 -8.484 1.00 0.00 C ATOM 544 O LEU A 40 7.611 -4.023 -8.307 1.00 0.00 O ATOM 545 CB LEU A 40 5.853 -2.843 -6.291 1.00 0.00 C ATOM 546 CG LEU A 40 4.721 -2.171 -5.513 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.340 -3.003 -4.299 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.125 -0.765 -5.092 1.00 0.00 C ATOM 0 H LEU A 40 6.237 -5.486 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 40 4.434 -3.676 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.537 -3.300 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.412 -2.071 -6.819 1.00 0.00 H new ATOM 0 HG LEU A 40 3.851 -2.098 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.533 -2.509 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.009 -3.989 -4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.205 -3.108 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.308 -0.302 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.010 -0.815 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.348 -0.170 -5.978 1.00 0.00 H new ATOM 560 N THR A 41 5.849 -3.802 -9.690 1.00 0.00 N ATOM 561 CA THR A 41 6.661 -3.794 -10.900 1.00 0.00 C ATOM 562 C THR A 41 6.690 -2.408 -11.534 1.00 0.00 C ATOM 563 O THR A 41 5.673 -1.717 -11.583 1.00 0.00 O ATOM 564 CB THR A 41 6.137 -4.808 -11.935 1.00 0.00 C ATOM 565 OG1 THR A 41 4.810 -4.454 -12.339 1.00 0.00 O ATOM 566 CG2 THR A 41 6.138 -6.217 -11.360 1.00 0.00 C ATOM 0 H THR A 41 4.846 -3.713 -9.855 1.00 0.00 H new ATOM 0 HA THR A 41 7.671 -4.077 -10.604 1.00 0.00 H new ATOM 0 HB THR A 41 6.799 -4.785 -12.801 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.463 -3.755 -11.746 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.764 -6.916 -12.108 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.154 -6.495 -11.080 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.497 -6.251 -10.479 1.00 0.00 H new ATOM 574 N GLN A 42 7.861 -2.008 -12.018 1.00 0.00 N ATOM 575 CA GLN A 42 8.022 -0.704 -12.649 1.00 0.00 C ATOM 576 C GLN A 42 6.780 -0.331 -13.451 1.00 0.00 C ATOM 577 O GLN A 42 6.329 0.814 -13.420 1.00 0.00 O ATOM 578 CB GLN A 42 9.251 -0.701 -13.559 1.00 0.00 C ATOM 579 CG GLN A 42 10.554 -0.963 -12.821 1.00 0.00 C ATOM 580 CD GLN A 42 11.715 -1.223 -13.762 1.00 0.00 C ATOM 581 OE1 GLN A 42 11.661 -0.879 -14.943 1.00 0.00 O ATOM 582 NE2 GLN A 42 12.773 -1.834 -13.242 1.00 0.00 N ATOM 0 H GLN A 42 8.713 -2.569 -11.985 1.00 0.00 H new ATOM 0 HA GLN A 42 8.161 0.037 -11.862 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.122 -1.458 -14.332 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.317 0.263 -14.064 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.788 -0.106 -12.189 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.427 -1.821 -12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.775 -2.101 -12.258 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.584 -2.036 -13.827 1.00 0.00 H new ATOM 591 N SER A 43 6.231 -1.305 -14.170 1.00 0.00 N ATOM 592 CA SER A 43 5.043 -1.078 -14.984 1.00 0.00 C ATOM 593 C SER A 43 3.878 -0.599 -14.124 1.00 0.00 C ATOM 594 O SER A 43 3.526 0.580 -14.138 1.00 0.00 O ATOM 595 CB SER A 43 4.652 -2.360 -15.723 1.00 0.00 C ATOM 596 OG SER A 43 5.462 -2.554 -16.870 1.00 0.00 O ATOM 0 H SER A 43 6.590 -2.259 -14.205 1.00 0.00 H new ATOM 0 HA SER A 43 5.276 -0.303 -15.714 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.753 -3.215 -15.054 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.604 -2.308 -16.018 1.00 0.00 H new ATOM 0 HG SER A 43 5.194 -3.380 -17.324 1.00 0.00 H new ATOM 602 N GLU A 44 3.283 -1.523 -13.376 1.00 0.00 N ATOM 603 CA GLU A 44 2.157 -1.195 -12.509 1.00 0.00 C ATOM 604 C GLU A 44 2.180 -2.045 -11.242 1.00 0.00 C ATOM 605 O GLU A 44 3.064 -2.883 -11.059 1.00 0.00 O ATOM 606 CB GLU A 44 0.836 -1.403 -13.252 1.00 0.00 C ATOM 607 CG GLU A 44 0.653 -2.814 -13.785 1.00 0.00 C ATOM 608 CD GLU A 44 -0.709 -3.027 -14.417 1.00 0.00 C ATOM 609 OE1 GLU A 44 -1.720 -2.645 -13.792 1.00 0.00 O ATOM 610 OE2 GLU A 44 -0.763 -3.575 -15.538 1.00 0.00 O ATOM 0 H GLU A 44 3.562 -2.504 -13.353 1.00 0.00 H new ATOM 0 HA GLU A 44 2.244 -0.147 -12.224 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.010 -1.167 -12.581 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.782 -0.700 -14.083 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.428 -3.023 -14.522 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.787 -3.526 -12.971 1.00 0.00 H new ATOM 617 N LEU A 45 1.202 -1.822 -10.370 1.00 0.00 N ATOM 618 CA LEU A 45 1.109 -2.567 -9.119 1.00 0.00 C ATOM 619 C LEU A 45 0.439 -3.919 -9.339 1.00 0.00 C ATOM 620 O LEU A 45 -0.625 -4.005 -9.951 1.00 0.00 O ATOM 621 CB LEU A 45 0.328 -1.761 -8.080 1.00 0.00 C ATOM 622 CG LEU A 45 0.735 -1.972 -6.622 1.00 0.00 C ATOM 623 CD1 LEU A 45 -0.046 -1.039 -5.709 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.521 -3.422 -6.213 1.00 0.00 C ATOM 0 H LEU A 45 0.463 -1.132 -10.506 1.00 0.00 H new ATOM 0 HA LEU A 45 2.120 -2.739 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.434 -0.702 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.730 -2.005 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 45 1.795 -1.740 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.257 -1.204 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.157 -0.005 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.113 -1.239 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.816 -3.554 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.532 -3.681 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.125 -4.072 -6.846 1.00 0.00 H new ATOM 636 N VAL A 46 1.069 -4.975 -8.834 1.00 0.00 N ATOM 637 CA VAL A 46 0.533 -6.324 -8.972 1.00 0.00 C ATOM 638 C VAL A 46 0.358 -6.988 -7.610 1.00 0.00 C ATOM 639 O VAL A 46 1.190 -6.825 -6.716 1.00 0.00 O ATOM 640 CB VAL A 46 1.445 -7.204 -9.846 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.834 -8.584 -10.036 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.701 -6.536 -11.189 1.00 0.00 C ATOM 0 H VAL A 46 1.952 -4.922 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.440 -6.230 -9.455 1.00 0.00 H new ATOM 0 HB VAL A 46 2.401 -7.324 -9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.493 -9.191 -10.656 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.707 -9.062 -9.065 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.136 -8.488 -10.523 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.347 -7.172 -11.794 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.754 -6.384 -11.706 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.186 -5.573 -11.030 1.00 0.00 H new ATOM 652 N LEU A 47 -0.728 -7.737 -7.459 1.00 0.00 N ATOM 653 CA LEU A 47 -1.012 -8.428 -6.206 1.00 0.00 C ATOM 654 C LEU A 47 -1.237 -9.918 -6.444 1.00 0.00 C ATOM 655 O LEU A 47 -2.081 -10.307 -7.252 1.00 0.00 O ATOM 656 CB LEU A 47 -2.241 -7.816 -5.531 1.00 0.00 C ATOM 657 CG LEU A 47 -2.278 -7.896 -4.005 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.608 -7.383 -3.475 1.00 0.00 C ATOM 659 CD2 LEU A 47 -2.032 -9.324 -3.539 1.00 0.00 C ATOM 0 H LEU A 47 -1.426 -7.882 -8.188 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.149 -8.310 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.306 -6.767 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.130 -8.311 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.484 -7.263 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.615 -7.448 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.744 -6.345 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.419 -7.988 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.062 -9.362 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.804 -9.978 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.054 -9.657 -3.887 1.00 0.00 H new ATOM 671 N HIS A 48 -0.479 -10.747 -5.733 1.00 0.00 N ATOM 672 CA HIS A 48 -0.598 -12.195 -5.865 1.00 0.00 C ATOM 673 C HIS A 48 -1.631 -12.746 -4.887 1.00 0.00 C ATOM 674 O HIS A 48 -1.516 -12.558 -3.675 1.00 0.00 O ATOM 675 CB HIS A 48 0.756 -12.863 -5.625 1.00 0.00 C ATOM 676 CG HIS A 48 1.798 -12.481 -6.631 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.946 -13.123 -7.842 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.747 -11.516 -6.600 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.941 -12.571 -8.513 1.00 0.00 C ATOM 680 NE2 HIS A 48 3.444 -11.593 -7.781 1.00 0.00 N ATOM 0 H HIS A 48 0.224 -10.441 -5.060 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.929 -12.417 -6.879 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.111 -12.599 -4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.626 -13.945 -5.641 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.923 -10.816 -5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.285 -12.868 -9.493 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.224 -10.992 -8.049 1.00 0.00 H new ATOM 689 N LEU A 49 -2.640 -13.426 -5.421 1.00 0.00 N ATOM 690 CA LEU A 49 -3.694 -14.005 -4.596 1.00 0.00 C ATOM 691 C LEU A 49 -3.921 -15.471 -4.950 1.00 0.00 C ATOM 692 O LEU A 49 -3.860 -15.854 -6.119 1.00 0.00 O ATOM 693 CB LEU A 49 -4.995 -13.219 -4.770 1.00 0.00 C ATOM 694 CG LEU A 49 -4.999 -11.795 -4.214 1.00 0.00 C ATOM 695 CD1 LEU A 49 -6.334 -11.120 -4.483 1.00 0.00 C ATOM 696 CD2 LEU A 49 -4.695 -11.804 -2.723 1.00 0.00 C ATOM 0 H LEU A 49 -2.750 -13.590 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.378 -13.947 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.228 -13.173 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.800 -13.777 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.219 -11.226 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.317 -10.107 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.511 -11.080 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.132 -11.688 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.702 -10.782 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.452 -12.390 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.713 -12.247 -2.554 1.00 0.00 H new ATOM 789 N ALA A 54 -5.210 -13.058 -9.876 1.00 0.00 N ATOM 790 CA ALA A 54 -4.295 -11.943 -9.669 1.00 0.00 C ATOM 791 C ALA A 54 -4.909 -10.632 -10.148 1.00 0.00 C ATOM 792 O ALA A 54 -5.747 -10.620 -11.050 1.00 0.00 O ATOM 793 CB ALA A 54 -2.977 -12.203 -10.383 1.00 0.00 C ATOM 0 HA ALA A 54 -4.105 -11.855 -8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.303 -11.362 -10.220 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.524 -13.113 -9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.159 -12.320 -11.451 1.00 0.00 H new ATOM 799 N VAL A 55 -4.487 -9.528 -9.539 1.00 0.00 N ATOM 800 CA VAL A 55 -4.995 -8.212 -9.904 1.00 0.00 C ATOM 801 C VAL A 55 -3.856 -7.254 -10.232 1.00 0.00 C ATOM 802 O VAL A 55 -2.729 -7.431 -9.767 1.00 0.00 O ATOM 803 CB VAL A 55 -5.850 -7.607 -8.775 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.339 -6.219 -9.159 1.00 0.00 C ATOM 805 CG2 VAL A 55 -7.021 -8.521 -8.446 1.00 0.00 C ATOM 0 H VAL A 55 -3.794 -9.520 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.617 -8.348 -10.788 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.229 -7.513 -7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.941 -5.808 -8.349 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.483 -5.569 -9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.944 -6.284 -10.064 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.615 -8.078 -7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.643 -8.648 -9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.645 -9.492 -8.124 1.00 0.00 H new ATOM 815 N ARG A 56 -4.156 -6.238 -11.035 1.00 0.00 N ATOM 816 CA ARG A 56 -3.156 -5.252 -11.426 1.00 0.00 C ATOM 817 C ARG A 56 -3.737 -3.842 -11.384 1.00 0.00 C ATOM 818 O ARG A 56 -4.790 -3.577 -11.964 1.00 0.00 O ATOM 819 CB ARG A 56 -2.630 -5.557 -12.830 1.00 0.00 C ATOM 820 CG ARG A 56 -1.936 -6.904 -12.942 1.00 0.00 C ATOM 821 CD ARG A 56 -1.950 -7.422 -14.372 1.00 0.00 C ATOM 822 NE ARG A 56 -0.786 -8.255 -14.663 1.00 0.00 N ATOM 823 CZ ARG A 56 -0.692 -9.036 -15.734 1.00 0.00 C ATOM 824 NH1 ARG A 56 -1.686 -9.090 -16.609 1.00 0.00 N ATOM 825 NH2 ARG A 56 0.399 -9.766 -15.930 1.00 0.00 N ATOM 0 H ARG A 56 -5.084 -6.076 -11.427 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.331 -5.307 -10.716 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.461 -5.527 -13.535 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.933 -4.773 -13.126 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.906 -6.813 -12.597 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.429 -7.624 -12.289 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.860 -7.999 -14.540 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.975 -6.579 -15.063 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.003 -8.236 -14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.526 -8.531 -16.461 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.611 -9.691 -17.430 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.166 -9.728 -15.258 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.471 -10.365 -16.752 1.00 0.00 H new ATOM 839 N TRP A 57 -3.044 -2.943 -10.695 1.00 0.00 N ATOM 840 CA TRP A 57 -3.493 -1.560 -10.577 1.00 0.00 C ATOM 841 C TRP A 57 -2.403 -0.594 -11.029 1.00 0.00 C ATOM 842 O TRP A 57 -1.294 -0.578 -10.495 1.00 0.00 O ATOM 843 CB TRP A 57 -3.895 -1.254 -9.133 1.00 0.00 C ATOM 844 CG TRP A 57 -5.041 -2.089 -8.647 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.344 -2.006 -9.047 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.986 -3.132 -7.667 1.00 0.00 C ATOM 847 NE1 TRP A 57 -7.103 -2.934 -8.376 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.293 -3.638 -7.524 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.961 -3.689 -6.899 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.598 -4.672 -6.643 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.265 -4.715 -6.025 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.574 -5.199 -5.903 1.00 0.00 C ATOM 0 H TRP A 57 -2.170 -3.146 -10.210 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.360 -1.429 -11.224 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.036 -1.415 -8.482 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.163 -0.200 -9.053 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.723 -1.312 -9.783 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.106 -3.076 -8.493 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.948 -3.324 -6.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.607 -5.045 -6.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.480 -5.151 -5.425 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.779 -6.003 -5.212 1.00 0.00 H new ATOM 863 N PRO A 58 -2.723 0.231 -12.037 1.00 0.00 N ATOM 864 CA PRO A 58 -1.784 1.216 -12.582 1.00 0.00 C ATOM 865 C PRO A 58 -1.508 2.355 -11.607 1.00 0.00 C ATOM 866 O PRO A 58 -2.404 2.805 -10.892 1.00 0.00 O ATOM 867 CB PRO A 58 -2.504 1.741 -13.827 1.00 0.00 C ATOM 868 CG PRO A 58 -3.951 1.519 -13.550 1.00 0.00 C ATOM 869 CD PRO A 58 -4.027 0.267 -12.721 1.00 0.00 C ATOM 0 HA PRO A 58 -0.808 0.777 -12.790 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.290 2.797 -13.992 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.186 1.207 -14.723 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.381 2.367 -13.016 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.513 1.408 -14.477 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.853 0.305 -12.010 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.180 -0.617 -13.341 1.00 0.00 H new ATOM 877 N TYR A 59 -0.263 2.819 -11.583 1.00 0.00 N ATOM 878 CA TYR A 59 0.131 3.905 -10.694 1.00 0.00 C ATOM 879 C TYR A 59 -0.374 5.247 -11.215 1.00 0.00 C ATOM 880 O TYR A 59 -0.816 6.099 -10.444 1.00 0.00 O ATOM 881 CB TYR A 59 1.653 3.943 -10.545 1.00 0.00 C ATOM 882 CG TYR A 59 2.250 2.631 -10.088 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.813 2.016 -8.921 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.251 2.007 -10.822 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.356 0.818 -8.499 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.799 0.808 -10.408 1.00 0.00 C ATOM 887 CZ TYR A 59 3.348 0.218 -9.246 1.00 0.00 C ATOM 888 OH TYR A 59 3.892 -0.976 -8.830 1.00 0.00 O ATOM 0 H TYR A 59 0.490 2.460 -12.169 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.319 3.723 -9.718 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.096 4.221 -11.501 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.920 4.722 -9.831 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.036 2.483 -8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.607 2.467 -11.732 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.006 0.354 -7.589 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.576 0.336 -10.991 1.00 0.00 H new ATOM 0 HH TYR A 59 4.226 -1.472 -9.607 1.00 0.00 H new ATOM 898 N LEU A 60 -0.306 5.426 -12.530 1.00 0.00 N ATOM 899 CA LEU A 60 -0.757 6.664 -13.157 1.00 0.00 C ATOM 900 C LEU A 60 -2.191 6.989 -12.750 1.00 0.00 C ATOM 901 O LEU A 60 -2.544 8.154 -12.563 1.00 0.00 O ATOM 902 CB LEU A 60 -0.660 6.552 -14.679 1.00 0.00 C ATOM 903 CG LEU A 60 -1.233 5.276 -15.297 1.00 0.00 C ATOM 904 CD1 LEU A 60 -1.773 5.554 -16.691 1.00 0.00 C ATOM 905 CD2 LEU A 60 -0.176 4.183 -15.340 1.00 0.00 C ATOM 0 H LEU A 60 0.057 4.730 -13.182 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.110 7.472 -12.816 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.173 7.407 -15.119 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.390 6.629 -14.963 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.057 4.931 -14.673 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.177 4.634 -17.115 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.562 6.304 -16.633 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.968 5.923 -17.326 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.602 3.282 -15.783 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.670 4.518 -15.941 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.163 3.964 -14.327 1.00 0.00 H new ATOM 917 N CYS A 61 -3.011 5.954 -12.614 1.00 0.00 N ATOM 918 CA CYS A 61 -4.407 6.129 -12.228 1.00 0.00 C ATOM 919 C CYS A 61 -4.522 6.466 -10.744 1.00 0.00 C ATOM 920 O CYS A 61 -5.357 7.279 -10.344 1.00 0.00 O ATOM 921 CB CYS A 61 -5.207 4.864 -12.539 1.00 0.00 C ATOM 922 SG CYS A 61 -5.242 4.427 -14.293 1.00 0.00 S ATOM 0 H CYS A 61 -2.734 4.984 -12.765 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.816 6.959 -12.804 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.784 4.032 -11.976 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.230 4.998 -12.188 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.940 3.343 -14.456 1.00 0.00 H new ATOM 928 N LEU A 62 -3.681 5.835 -9.933 1.00 0.00 N ATOM 929 CA LEU A 62 -3.689 6.067 -8.492 1.00 0.00 C ATOM 930 C LEU A 62 -3.734 7.559 -8.181 1.00 0.00 C ATOM 931 O LEU A 62 -2.731 8.261 -8.309 1.00 0.00 O ATOM 932 CB LEU A 62 -2.453 5.437 -7.848 1.00 0.00 C ATOM 933 CG LEU A 62 -2.440 3.910 -7.772 1.00 0.00 C ATOM 934 CD1 LEU A 62 -1.242 3.425 -6.970 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.736 3.395 -7.163 1.00 0.00 C ATOM 0 H LEU A 62 -2.985 5.159 -10.248 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.584 5.602 -8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.573 5.761 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.354 5.832 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.356 3.516 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.250 2.336 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.323 3.763 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.294 3.828 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.709 2.306 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.851 3.798 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.578 3.711 -7.779 1.00 0.00 H new ATOM 947 N ARG A 63 -4.904 8.037 -7.769 1.00 0.00 N ATOM 948 CA ARG A 63 -5.079 9.446 -7.438 1.00 0.00 C ATOM 949 C ARG A 63 -4.302 9.809 -6.176 1.00 0.00 C ATOM 950 O ARG A 63 -3.546 10.780 -6.158 1.00 0.00 O ATOM 951 CB ARG A 63 -6.563 9.766 -7.246 1.00 0.00 C ATOM 952 CG ARG A 63 -7.405 9.517 -8.487 1.00 0.00 C ATOM 953 CD ARG A 63 -8.822 10.041 -8.312 1.00 0.00 C ATOM 954 NE ARG A 63 -8.846 11.476 -8.044 1.00 0.00 N ATOM 955 CZ ARG A 63 -8.730 11.999 -6.829 1.00 0.00 C ATOM 956 NH1 ARG A 63 -8.583 11.208 -5.775 1.00 0.00 N ATOM 957 NH2 ARG A 63 -8.761 13.316 -6.665 1.00 0.00 N ATOM 0 H ARG A 63 -5.744 7.470 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.690 10.039 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.953 9.163 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.666 10.810 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.940 10.000 -9.346 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.435 8.448 -8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.400 9.831 -9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.306 9.511 -7.492 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.958 12.112 -8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.559 10.196 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.494 11.612 -4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.874 13.928 -7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.672 13.716 -5.731 1.00 0.00 H new ATOM 971 N ARG A 64 -4.496 9.023 -5.122 1.00 0.00 N ATOM 972 CA ARG A 64 -3.815 9.262 -3.855 1.00 0.00 C ATOM 973 C ARG A 64 -3.439 7.945 -3.182 1.00 0.00 C ATOM 974 O ARG A 64 -3.918 6.879 -3.570 1.00 0.00 O ATOM 975 CB ARG A 64 -4.703 10.088 -2.922 1.00 0.00 C ATOM 976 CG ARG A 64 -6.089 9.498 -2.721 1.00 0.00 C ATOM 977 CD ARG A 64 -6.871 10.262 -1.663 1.00 0.00 C ATOM 978 NE ARG A 64 -8.002 9.490 -1.155 1.00 0.00 N ATOM 979 CZ ARG A 64 -9.119 9.283 -1.842 1.00 0.00 C ATOM 980 NH1 ARG A 64 -9.254 9.787 -3.061 1.00 0.00 N ATOM 981 NH2 ARG A 64 -10.104 8.569 -1.311 1.00 0.00 N ATOM 0 H ARG A 64 -5.119 8.215 -5.120 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.901 9.818 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.212 10.179 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.801 11.096 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.635 9.519 -3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.001 8.452 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.208 10.519 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.232 11.199 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.930 9.088 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.499 10.335 -3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.113 9.627 -3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.003 8.179 -0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.962 8.411 -1.840 1.00 0.00 H new ATOM 995 N TYR A 65 -2.579 8.026 -2.173 1.00 0.00 N ATOM 996 CA TYR A 65 -2.136 6.841 -1.449 1.00 0.00 C ATOM 997 C TYR A 65 -1.293 7.226 -0.237 1.00 0.00 C ATOM 998 O TYR A 65 -0.400 8.068 -0.330 1.00 0.00 O ATOM 999 CB TYR A 65 -1.333 5.923 -2.372 1.00 0.00 C ATOM 1000 CG TYR A 65 -0.136 6.597 -3.003 1.00 0.00 C ATOM 1001 CD1 TYR A 65 -0.269 7.348 -4.165 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.129 6.482 -2.439 1.00 0.00 C ATOM 1003 CE1 TYR A 65 0.823 7.965 -4.745 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.225 7.096 -3.012 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.067 7.837 -4.165 1.00 0.00 C ATOM 1006 OH TYR A 65 3.157 8.449 -4.740 1.00 0.00 O ATOM 0 H TYR A 65 -2.175 8.900 -1.838 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.021 6.309 -1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.994 5.057 -1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.988 5.551 -3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.242 7.451 -4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.257 5.902 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.702 8.545 -5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.201 6.997 -2.560 1.00 0.00 H new ATOM 0 HH TYR A 65 3.343 8.036 -5.609 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.583 6.602 0.900 1.00 0.00 N ATOM 1017 CA GLY A 66 -0.843 6.891 2.115 1.00 0.00 C ATOM 1018 C GLY A 66 -0.292 5.640 2.770 1.00 0.00 C ATOM 1019 O GLY A 66 -0.192 4.591 2.134 1.00 0.00 O ATOM 0 H GLY A 66 -2.317 5.901 1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.021 7.568 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.494 7.409 2.819 1.00 0.00 H new ATOM 1023 N TYR A 67 0.068 5.751 4.044 1.00 0.00 N ATOM 1024 CA TYR A 67 0.615 4.621 4.785 1.00 0.00 C ATOM 1025 C TYR A 67 0.777 4.965 6.262 1.00 0.00 C ATOM 1026 O TYR A 67 1.459 5.927 6.616 1.00 0.00 O ATOM 1027 CB TYR A 67 1.964 4.204 4.196 1.00 0.00 C ATOM 1028 CG TYR A 67 3.128 5.017 4.715 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.240 6.371 4.424 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.117 4.431 5.496 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.303 7.118 4.896 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.182 5.170 5.973 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.271 6.513 5.670 1.00 0.00 C ATOM 1034 OH TYR A 67 6.331 7.252 6.142 1.00 0.00 O ATOM 0 H TYR A 67 -0.009 6.612 4.585 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.085 3.790 4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.139 3.151 4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.922 4.297 3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.483 6.848 3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.052 3.380 5.734 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.375 8.169 4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.941 4.699 6.580 1.00 0.00 H new ATOM 0 HH TYR A 67 6.930 6.672 6.657 1.00 0.00 H new ATOM 1044 N ASP A 68 0.144 4.172 7.120 1.00 0.00 N ATOM 1045 CA ASP A 68 0.218 4.390 8.560 1.00 0.00 C ATOM 1046 C ASP A 68 1.372 3.600 9.171 1.00 0.00 C ATOM 1047 O ASP A 68 2.135 2.946 8.460 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.099 3.989 9.226 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.387 4.801 10.474 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.095 6.015 10.472 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.903 4.221 11.453 1.00 0.00 O ATOM 0 H ASP A 68 -0.426 3.373 6.843 1.00 0.00 H new ATOM 0 HA ASP A 68 0.396 5.451 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.916 4.117 8.516 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.065 2.931 9.484 1.00 0.00 H new ATOM 1056 N SER A 69 1.494 3.667 10.493 1.00 0.00 N ATOM 1057 CA SER A 69 2.557 2.962 11.199 1.00 0.00 C ATOM 1058 C SER A 69 2.616 1.499 10.772 1.00 0.00 C ATOM 1059 O SER A 69 3.673 0.992 10.398 1.00 0.00 O ATOM 1060 CB SER A 69 2.344 3.056 12.711 1.00 0.00 C ATOM 1061 OG SER A 69 3.542 2.773 13.413 1.00 0.00 O ATOM 0 H SER A 69 0.870 4.202 11.096 1.00 0.00 H new ATOM 0 HA SER A 69 3.505 3.435 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.994 4.055 12.971 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.566 2.356 13.016 1.00 0.00 H new ATOM 0 HG SER A 69 3.380 2.841 14.377 1.00 0.00 H new ATOM 1067 N ASN A 70 1.472 0.826 10.831 1.00 0.00 N ATOM 1068 CA ASN A 70 1.392 -0.580 10.452 1.00 0.00 C ATOM 1069 C ASN A 70 0.184 -0.834 9.554 1.00 0.00 C ATOM 1070 O ASN A 70 -0.579 -1.775 9.774 1.00 0.00 O ATOM 1071 CB ASN A 70 1.309 -1.463 11.699 1.00 0.00 C ATOM 1072 CG ASN A 70 0.141 -1.093 12.592 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -0.080 0.080 12.891 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -0.615 -2.097 13.023 1.00 0.00 N ATOM 0 H ASN A 70 0.588 1.231 11.138 1.00 0.00 H new ATOM 0 HA ASN A 70 2.295 -0.832 9.896 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.216 -2.506 11.397 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.237 -1.377 12.264 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.415 -1.910 13.627 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.395 -3.055 12.750 1.00 0.00 H new ATOM 1081 N LEU A 71 0.017 0.012 8.544 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.097 -0.120 7.612 1.00 0.00 C ATOM 1083 C LEU A 71 -0.755 0.503 6.262 1.00 0.00 C ATOM 1084 O LEU A 71 -0.054 1.512 6.192 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.351 0.541 8.188 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.650 0.301 7.419 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -4.245 -1.050 7.785 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.647 1.417 7.695 1.00 0.00 C ATOM 0 H LEU A 71 0.639 0.797 8.349 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.289 -1.183 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.487 0.187 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.178 1.616 8.243 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.423 0.299 6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.169 -1.203 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.536 -1.839 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.457 -1.077 8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.566 1.230 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.869 1.451 8.762 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.222 2.371 7.382 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.257 -0.105 5.192 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.006 0.391 3.844 1.00 0.00 C ATOM 1102 C PHE A 72 -2.259 0.280 2.981 1.00 0.00 C ATOM 1103 O PHE A 72 -2.748 -0.818 2.715 1.00 0.00 O ATOM 1104 CB PHE A 72 0.142 -0.387 3.197 1.00 0.00 C ATOM 1105 CG PHE A 72 0.282 -0.136 1.723 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.751 1.081 1.255 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.057 -1.117 0.805 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.879 1.315 -0.101 1.00 0.00 C ATOM 1109 CE2 PHE A 72 0.070 -0.889 -0.553 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.539 0.328 -1.006 1.00 0.00 C ATOM 0 H PHE A 72 -1.840 -0.941 5.232 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.728 1.442 3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.075 -0.121 3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.014 -1.453 3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.020 1.856 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.425 -2.071 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.244 2.268 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.197 -1.662 -1.258 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.640 0.508 -2.066 1.00 0.00 H new ATOM 1120 N SER A 73 -2.775 1.426 2.548 1.00 0.00 N ATOM 1121 CA SER A 73 -3.975 1.459 1.719 1.00 0.00 C ATOM 1122 C SER A 73 -3.801 2.425 0.551 1.00 0.00 C ATOM 1123 O SER A 73 -2.963 3.326 0.595 1.00 0.00 O ATOM 1124 CB SER A 73 -5.188 1.866 2.556 1.00 0.00 C ATOM 1125 OG SER A 73 -6.380 1.799 1.794 1.00 0.00 O ATOM 0 H SER A 73 -2.381 2.343 2.757 1.00 0.00 H new ATOM 0 HA SER A 73 -4.138 0.458 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.271 1.212 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.050 2.880 2.933 1.00 0.00 H new ATOM 0 HG SER A 73 -6.335 1.034 1.183 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.600 2.230 -0.494 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.535 3.083 -1.675 1.00 0.00 C ATOM 1133 C PHE A 74 -5.868 3.085 -2.418 1.00 0.00 C ATOM 1134 O PHE A 74 -6.680 2.174 -2.258 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.418 2.612 -2.609 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.480 1.145 -2.925 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -2.840 0.221 -2.115 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -4.177 0.690 -4.033 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -2.895 -1.130 -2.402 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -4.235 -0.659 -4.325 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.592 -1.570 -3.510 1.00 0.00 C ATOM 0 H PHE A 74 -5.299 1.489 -0.546 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.320 4.100 -1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.470 3.178 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.454 2.837 -2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.291 0.560 -1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.680 1.398 -4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.394 -1.840 -1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.783 -1.001 -5.190 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.634 -2.625 -3.739 1.00 0.00 H new ATOM 1151 N GLU A 75 -6.085 4.115 -3.229 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.319 4.237 -3.995 1.00 0.00 C ATOM 1153 C GLU A 75 -7.073 3.949 -5.474 1.00 0.00 C ATOM 1154 O GLU A 75 -6.124 4.462 -6.067 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.913 5.637 -3.829 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.394 5.713 -4.161 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.688 5.353 -5.605 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -9.105 5.990 -6.507 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.501 4.432 -5.832 1.00 0.00 O ATOM 0 H GLU A 75 -5.422 4.877 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.027 3.502 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.762 5.967 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.370 6.331 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.945 5.040 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.756 6.721 -3.961 1.00 0.00 H new ATOM 1166 N SER A 76 -7.934 3.124 -6.061 1.00 0.00 N ATOM 1167 CA SER A 76 -7.808 2.763 -7.469 1.00 0.00 C ATOM 1168 C SER A 76 -8.868 3.470 -8.308 1.00 0.00 C ATOM 1169 O SER A 76 -10.064 3.350 -8.047 1.00 0.00 O ATOM 1170 CB SER A 76 -7.931 1.248 -7.642 1.00 0.00 C ATOM 1171 OG SER A 76 -9.243 0.806 -7.342 1.00 0.00 O ATOM 0 H SER A 76 -8.726 2.693 -5.584 1.00 0.00 H new ATOM 0 HA SER A 76 -6.824 3.082 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.677 0.974 -8.666 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.216 0.745 -6.990 1.00 0.00 H new ATOM 0 HG SER A 76 -9.199 0.051 -6.719 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.419 4.209 -9.318 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.340 4.925 -10.180 1.00 0.00 C ATOM 1179 C GLY A 77 -10.437 4.032 -10.726 1.00 0.00 C ATOM 1180 O GLY A 77 -10.176 2.907 -11.151 1.00 0.00 O ATOM 0 H GLY A 77 -7.433 4.324 -9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.789 5.748 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.788 5.366 -11.010 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.668 4.533 -10.711 1.00 0.00 N ATOM 1185 CA ARG A 78 -12.808 3.772 -11.206 1.00 0.00 C ATOM 1186 C ARG A 78 -12.411 2.911 -12.402 1.00 0.00 C ATOM 1187 O ARG A 78 -12.788 1.743 -12.491 1.00 0.00 O ATOM 1188 CB ARG A 78 -13.947 4.715 -11.599 1.00 0.00 C ATOM 1189 CG ARG A 78 -13.575 5.692 -12.702 1.00 0.00 C ATOM 1190 CD ARG A 78 -14.636 6.767 -12.876 1.00 0.00 C ATOM 1191 NE ARG A 78 -14.446 7.530 -14.106 1.00 0.00 N ATOM 1192 CZ ARG A 78 -13.603 8.551 -14.215 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -12.876 8.928 -13.172 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -13.486 9.197 -15.368 1.00 0.00 N ATOM 0 H ARG A 78 -11.901 5.462 -10.361 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.148 3.116 -10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.802 4.122 -11.923 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.263 5.276 -10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.618 6.158 -12.469 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.446 5.152 -13.640 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.623 6.304 -12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.610 7.444 -12.022 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.990 7.265 -14.927 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.963 8.434 -12.284 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.229 9.712 -13.258 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.044 8.910 -16.172 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.838 9.981 -15.450 1.00 0.00 H new ATOM 1208 N ARG A 79 -11.647 3.498 -13.318 1.00 0.00 N ATOM 1209 CA ARG A 79 -11.200 2.785 -14.509 1.00 0.00 C ATOM 1210 C ARG A 79 -10.185 1.705 -14.147 1.00 0.00 C ATOM 1211 O ARG A 79 -8.989 1.853 -14.403 1.00 0.00 O ATOM 1212 CB ARG A 79 -10.585 3.763 -15.513 1.00 0.00 C ATOM 1213 CG ARG A 79 -11.593 4.348 -16.488 1.00 0.00 C ATOM 1214 CD ARG A 79 -11.813 3.430 -17.680 1.00 0.00 C ATOM 1215 NE ARG A 79 -10.719 3.513 -18.644 1.00 0.00 N ATOM 1216 CZ ARG A 79 -10.524 2.624 -19.612 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -11.344 1.591 -19.744 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -9.506 2.769 -20.451 1.00 0.00 N ATOM 0 H ARG A 79 -11.325 4.464 -13.258 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.067 2.306 -14.963 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.105 4.576 -14.968 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.804 3.251 -16.075 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.541 4.515 -15.976 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.243 5.320 -16.836 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.912 2.402 -17.332 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.750 3.692 -18.171 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.069 4.296 -18.570 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.128 1.477 -19.101 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.191 0.910 -20.488 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.873 3.563 -20.353 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.356 2.086 -21.194 1.00 0.00 H new ATOM 1232 N CYS A 80 -10.669 0.622 -13.551 1.00 0.00 N ATOM 1233 CA CYS A 80 -9.803 -0.483 -13.152 1.00 0.00 C ATOM 1234 C CYS A 80 -10.551 -1.811 -13.220 1.00 0.00 C ATOM 1235 O CYS A 80 -11.780 -1.839 -13.278 1.00 0.00 O ATOM 1236 CB CYS A 80 -9.270 -0.255 -11.738 1.00 0.00 C ATOM 1237 SG CYS A 80 -10.541 0.189 -10.531 1.00 0.00 S ATOM 0 H CYS A 80 -11.656 0.484 -13.333 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.963 -0.524 -13.846 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.765 -1.161 -11.401 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.520 0.536 -11.767 1.00 0.00 H new ATOM 0 HG CYS A 80 -10.687 1.481 -10.510 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.800 -2.907 -13.213 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.392 -4.238 -13.275 1.00 0.00 C ATOM 1245 C GLN A 81 -11.423 -4.428 -12.167 1.00 0.00 C ATOM 1246 O GLN A 81 -12.610 -4.621 -12.434 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.305 -5.309 -13.166 1.00 0.00 C ATOM 1248 CG GLN A 81 -9.832 -6.669 -12.735 1.00 0.00 C ATOM 1249 CD GLN A 81 -8.896 -7.801 -13.108 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -8.857 -8.236 -14.259 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -8.135 -8.286 -12.133 1.00 0.00 N ATOM 0 H GLN A 81 -8.781 -2.900 -13.165 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.896 -4.339 -14.236 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.808 -5.410 -14.131 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.551 -4.978 -12.452 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.985 -6.670 -11.656 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.805 -6.840 -13.195 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.200 -7.895 -11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.486 -9.049 -12.324 1.00 0.00 H new ATOM 1260 N THR A 82 -10.963 -4.373 -10.921 1.00 0.00 N ATOM 1261 CA THR A 82 -11.844 -4.540 -9.773 1.00 0.00 C ATOM 1262 C THR A 82 -12.977 -3.520 -9.795 1.00 0.00 C ATOM 1263 O THR A 82 -14.151 -3.879 -9.719 1.00 0.00 O ATOM 1264 CB THR A 82 -11.072 -4.403 -8.447 1.00 0.00 C ATOM 1265 OG1 THR A 82 -10.372 -3.153 -8.415 1.00 0.00 O ATOM 1266 CG2 THR A 82 -10.084 -5.547 -8.276 1.00 0.00 C ATOM 0 H THR A 82 -9.984 -4.214 -10.682 1.00 0.00 H new ATOM 0 HA THR A 82 -12.262 -5.545 -9.840 1.00 0.00 H new ATOM 0 HB THR A 82 -11.790 -4.438 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.910 -3.059 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.550 -5.429 -7.333 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.622 -6.495 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.371 -5.538 -9.100 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.616 -2.244 -9.902 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.615 -1.192 -9.933 1.00 0.00 C ATOM 1276 C GLY A 83 -13.441 -0.194 -8.806 1.00 0.00 C ATOM 1277 O GLY A 83 -12.891 -0.525 -7.756 1.00 0.00 O ATOM 0 H GLY A 83 -11.651 -1.921 -9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.559 -0.670 -10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.608 -1.636 -9.870 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.909 1.031 -9.024 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.799 2.081 -8.018 1.00 0.00 C ATOM 1283 C GLN A 84 -13.948 1.506 -6.613 1.00 0.00 C ATOM 1284 O GLN A 84 -14.949 0.865 -6.297 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.860 3.157 -8.256 1.00 0.00 C ATOM 1286 CG GLN A 84 -14.889 4.231 -7.180 1.00 0.00 C ATOM 1287 CD GLN A 84 -16.129 5.100 -7.257 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -16.383 5.750 -8.271 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -16.909 5.116 -6.183 1.00 0.00 N ATOM 0 H GLN A 84 -14.368 1.321 -9.888 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.810 2.530 -8.104 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.678 3.627 -9.222 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.840 2.683 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.841 3.759 -6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.003 4.859 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.660 4.562 -5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -17.757 5.683 -6.177 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.944 1.740 -5.774 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.982 1.238 -4.413 1.00 0.00 C ATOM 1300 C GLY A 85 -11.657 1.405 -3.695 1.00 0.00 C ATOM 1301 O GLY A 85 -10.627 1.641 -4.327 1.00 0.00 O ATOM 0 H GLY A 85 -12.105 2.268 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.761 1.761 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.254 0.183 -4.426 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.684 1.285 -2.372 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.475 1.425 -1.569 1.00 0.00 C ATOM 1307 C ILE A 86 -10.037 0.081 -0.997 1.00 0.00 C ATOM 1308 O ILE A 86 -10.802 -0.591 -0.305 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.681 2.420 -0.412 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.923 3.828 -0.959 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.477 2.407 0.518 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.664 4.731 0.002 1.00 0.00 C ATOM 0 H ILE A 86 -12.529 1.091 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.698 1.806 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.559 2.116 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.964 4.283 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.490 3.756 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.637 3.115 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.346 1.406 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.584 2.690 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.800 5.712 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.638 4.298 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.088 4.834 0.922 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.799 -0.305 -1.289 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.257 -1.568 -0.803 1.00 0.00 C ATOM 1326 C PHE A 87 -7.162 -1.328 0.232 1.00 0.00 C ATOM 1327 O PHE A 87 -6.212 -0.586 -0.015 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.703 -2.391 -1.968 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.572 -2.359 -3.192 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -9.914 -2.696 -3.114 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.048 -1.991 -4.421 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.716 -2.667 -4.240 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -8.845 -1.960 -5.549 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.181 -2.298 -5.459 1.00 0.00 C ATOM 0 H PHE A 87 -8.152 0.239 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.066 -2.123 -0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.712 -2.018 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.581 -3.425 -1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.338 -2.984 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.004 -1.725 -4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.760 -2.933 -4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.424 -1.672 -6.501 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.806 -2.274 -6.339 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.302 -1.962 1.391 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.325 -1.819 2.463 1.00 0.00 C ATOM 1346 C ALA A 88 -5.736 -3.170 2.852 1.00 0.00 C ATOM 1347 O ALA A 88 -6.412 -4.197 2.784 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.962 -1.151 3.673 1.00 0.00 C ATOM 0 H ALA A 88 -8.083 -2.580 1.612 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.513 -1.189 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.221 -1.051 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.329 -0.164 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.793 -1.759 4.029 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.471 -3.164 3.260 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.789 -4.390 3.658 1.00 0.00 C ATOM 1356 C PHE A 89 -2.923 -4.154 4.892 1.00 0.00 C ATOM 1357 O PHE A 89 -2.101 -3.238 4.922 1.00 0.00 O ATOM 1358 CB PHE A 89 -2.927 -4.916 2.508 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.644 -4.950 1.189 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -4.007 -3.775 0.552 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -3.955 -6.158 0.585 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.666 -3.803 -0.663 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -4.613 -6.192 -0.629 1.00 0.00 C ATOM 1364 CZ PHE A 89 -4.970 -5.013 -1.253 1.00 0.00 C ATOM 0 H PHE A 89 -3.897 -2.323 3.324 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.546 -5.134 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.039 -4.290 2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.584 -5.921 2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.772 -2.825 1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.680 -7.083 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.942 -2.879 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.848 -7.140 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.486 -5.038 -2.201 1.00 0.00 H new ATOM 1374 N LYS A 90 -3.114 -4.988 5.909 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.351 -4.873 7.146 1.00 0.00 C ATOM 1376 C LYS A 90 -0.962 -5.484 6.988 1.00 0.00 C ATOM 1377 O LYS A 90 -0.814 -6.706 6.934 1.00 0.00 O ATOM 1378 CB LYS A 90 -3.094 -5.560 8.294 1.00 0.00 C ATOM 1379 CG LYS A 90 -4.046 -4.640 9.039 1.00 0.00 C ATOM 1380 CD LYS A 90 -4.988 -5.423 9.938 1.00 0.00 C ATOM 1381 CE LYS A 90 -5.599 -4.536 11.012 1.00 0.00 C ATOM 1382 NZ LYS A 90 -6.545 -3.540 10.437 1.00 0.00 N ATOM 0 H LYS A 90 -3.791 -5.751 5.901 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.239 -3.814 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.655 -6.406 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.366 -5.962 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.474 -3.931 9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.625 -4.057 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.781 -5.867 9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.446 -6.244 10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.122 -5.156 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.805 -4.016 11.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.940 -2.955 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.040 -2.932 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.316 -4.036 9.947 1.00 0.00 H new ATOM 1396 N CYS A 91 0.051 -4.629 6.916 1.00 0.00 N ATOM 1397 CA CYS A 91 1.428 -5.085 6.765 1.00 0.00 C ATOM 1398 C CYS A 91 2.351 -4.362 7.740 1.00 0.00 C ATOM 1399 O CYS A 91 1.963 -3.371 8.358 1.00 0.00 O ATOM 1400 CB CYS A 91 1.907 -4.862 5.329 1.00 0.00 C ATOM 1401 SG CYS A 91 1.643 -3.181 4.716 1.00 0.00 S ATOM 0 H CYS A 91 -0.055 -3.615 6.960 1.00 0.00 H new ATOM 0 HA CYS A 91 1.458 -6.151 6.989 1.00 0.00 H new ATOM 0 HB2 CYS A 91 2.970 -5.096 5.271 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.391 -5.562 4.672 1.00 0.00 H new ATOM 0 HG CYS A 91 1.883 -3.142 3.439 1.00 0.00 H new ATOM 1407 N SER A 92 3.574 -4.865 7.873 1.00 0.00 N ATOM 1408 CA SER A 92 4.551 -4.270 8.778 1.00 0.00 C ATOM 1409 C SER A 92 5.574 -3.444 8.005 1.00 0.00 C ATOM 1410 O SER A 92 6.001 -2.381 8.458 1.00 0.00 O ATOM 1411 CB SER A 92 5.262 -5.359 9.583 1.00 0.00 C ATOM 1412 OG SER A 92 4.485 -5.757 10.700 1.00 0.00 O ATOM 0 H SER A 92 3.912 -5.683 7.366 1.00 0.00 H new ATOM 0 HA SER A 92 4.020 -3.610 9.464 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.454 -6.221 8.944 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.230 -4.991 9.922 1.00 0.00 H new ATOM 0 HG SER A 92 4.960 -6.455 11.197 1.00 0.00 H new ATOM 1418 N ARG A 93 5.964 -3.940 6.835 1.00 0.00 N ATOM 1419 CA ARG A 93 6.938 -3.250 5.998 1.00 0.00 C ATOM 1420 C ARG A 93 6.245 -2.288 5.038 1.00 0.00 C ATOM 1421 O ARG A 93 6.612 -2.193 3.867 1.00 0.00 O ATOM 1422 CB ARG A 93 7.773 -4.261 5.210 1.00 0.00 C ATOM 1423 CG ARG A 93 8.541 -5.234 6.090 1.00 0.00 C ATOM 1424 CD ARG A 93 9.813 -5.716 5.410 1.00 0.00 C ATOM 1425 NE ARG A 93 10.229 -7.029 5.895 1.00 0.00 N ATOM 1426 CZ ARG A 93 10.674 -7.251 7.126 1.00 0.00 C ATOM 1427 NH1 ARG A 93 10.760 -6.252 7.994 1.00 0.00 N ATOM 1428 NH2 ARG A 93 11.034 -8.475 7.492 1.00 0.00 N ATOM 0 H ARG A 93 5.620 -4.818 6.445 1.00 0.00 H new ATOM 0 HA ARG A 93 7.596 -2.675 6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.116 -4.824 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.478 -3.722 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.793 -4.751 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.908 -6.089 6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.653 -5.761 4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.612 -4.995 5.584 1.00 0.00 H new ATOM 0 HE ARG A 93 10.175 -7.819 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.484 -5.310 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.102 -6.426 8.939 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.969 -9.246 6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.376 -8.645 8.438 1.00 0.00 H new ATOM 1442 N ALA A 94 5.242 -1.577 5.542 1.00 0.00 N ATOM 1443 CA ALA A 94 4.499 -0.621 4.730 1.00 0.00 C ATOM 1444 C ALA A 94 5.405 0.502 4.237 1.00 0.00 C ATOM 1445 O ALA A 94 5.387 0.854 3.058 1.00 0.00 O ATOM 1446 CB ALA A 94 3.331 -0.052 5.521 1.00 0.00 C ATOM 0 H ALA A 94 4.925 -1.645 6.509 1.00 0.00 H new ATOM 0 HA ALA A 94 4.110 -1.147 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.785 0.660 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.664 -0.861 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.706 0.453 6.411 1.00 0.00 H new ATOM 1452 N GLU A 95 6.195 1.062 5.149 1.00 0.00 N ATOM 1453 CA GLU A 95 7.106 2.147 4.805 1.00 0.00 C ATOM 1454 C GLU A 95 7.892 1.818 3.540 1.00 0.00 C ATOM 1455 O GLU A 95 8.176 2.697 2.727 1.00 0.00 O ATOM 1456 CB GLU A 95 8.071 2.417 5.962 1.00 0.00 C ATOM 1457 CG GLU A 95 9.045 3.551 5.690 1.00 0.00 C ATOM 1458 CD GLU A 95 8.347 4.880 5.474 1.00 0.00 C ATOM 1459 OE1 GLU A 95 7.721 5.057 4.408 1.00 0.00 O ATOM 1460 OE2 GLU A 95 8.428 5.745 6.372 1.00 0.00 O ATOM 0 H GLU A 95 6.222 0.782 6.130 1.00 0.00 H new ATOM 0 HA GLU A 95 6.511 3.041 4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.495 2.651 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.634 1.508 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.736 3.640 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.641 3.310 4.809 1.00 0.00 H new ATOM 1467 N GLU A 96 8.241 0.545 3.381 1.00 0.00 N ATOM 1468 CA GLU A 96 8.995 0.100 2.215 1.00 0.00 C ATOM 1469 C GLU A 96 8.136 0.160 0.956 1.00 0.00 C ATOM 1470 O GLU A 96 8.539 0.735 -0.056 1.00 0.00 O ATOM 1471 CB GLU A 96 9.511 -1.326 2.427 1.00 0.00 C ATOM 1472 CG GLU A 96 10.477 -1.457 3.593 1.00 0.00 C ATOM 1473 CD GLU A 96 11.914 -1.186 3.192 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.147 -0.218 2.439 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.805 -1.942 3.632 1.00 0.00 O ATOM 0 H GLU A 96 8.014 -0.196 4.045 1.00 0.00 H new ATOM 0 HA GLU A 96 9.845 0.771 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.662 -1.990 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.006 -1.663 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.186 -0.762 4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.403 -2.461 4.010 1.00 0.00 H new ATOM 1482 N ILE A 97 6.952 -0.439 1.026 1.00 0.00 N ATOM 1483 CA ILE A 97 6.036 -0.453 -0.108 1.00 0.00 C ATOM 1484 C ILE A 97 5.671 0.964 -0.538 1.00 0.00 C ATOM 1485 O ILE A 97 5.669 1.283 -1.727 1.00 0.00 O ATOM 1486 CB ILE A 97 4.745 -1.226 0.221 1.00 0.00 C ATOM 1487 CG1 ILE A 97 5.074 -2.669 0.608 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.791 -1.194 -0.964 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.910 -3.408 1.232 1.00 0.00 C ATOM 0 H ILE A 97 6.605 -0.921 1.855 1.00 0.00 H new ATOM 0 HA ILE A 97 6.553 -0.956 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 97 4.257 -0.744 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.403 -3.209 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.910 -2.667 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.884 -1.745 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.536 -0.160 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.269 -1.654 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.216 -4.424 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.595 -2.891 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.080 -3.441 0.526 1.00 0.00 H new ATOM 1501 N PHE A 98 5.363 1.812 0.438 1.00 0.00 N ATOM 1502 CA PHE A 98 4.997 3.196 0.162 1.00 0.00 C ATOM 1503 C PHE A 98 6.137 3.930 -0.538 1.00 0.00 C ATOM 1504 O PHE A 98 5.937 4.570 -1.570 1.00 0.00 O ATOM 1505 CB PHE A 98 4.631 3.918 1.460 1.00 0.00 C ATOM 1506 CG PHE A 98 4.494 5.406 1.300 1.00 0.00 C ATOM 1507 CD1 PHE A 98 3.311 5.961 0.842 1.00 0.00 C ATOM 1508 CD2 PHE A 98 5.550 6.248 1.608 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.181 7.329 0.695 1.00 0.00 C ATOM 1510 CE2 PHE A 98 5.427 7.617 1.463 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.241 8.158 1.005 1.00 0.00 C ATOM 0 H PHE A 98 5.360 1.565 1.428 1.00 0.00 H new ATOM 0 HA PHE A 98 4.130 3.192 -0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.693 3.513 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.394 3.710 2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.480 5.317 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.480 5.830 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.252 7.749 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.257 8.263 1.707 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.143 9.227 0.890 1.00 0.00 H new ATOM 1521 N ASN A 99 7.334 3.834 0.033 1.00 0.00 N ATOM 1522 CA ASN A 99 8.506 4.490 -0.535 1.00 0.00 C ATOM 1523 C ASN A 99 8.787 3.978 -1.944 1.00 0.00 C ATOM 1524 O ASN A 99 9.098 4.754 -2.848 1.00 0.00 O ATOM 1525 CB ASN A 99 9.728 4.258 0.357 1.00 0.00 C ATOM 1526 CG ASN A 99 9.666 5.061 1.642 1.00 0.00 C ATOM 1527 OD1 ASN A 99 9.215 6.207 1.650 1.00 0.00 O ATOM 1528 ND2 ASN A 99 10.120 4.462 2.737 1.00 0.00 N ATOM 0 H ASN A 99 7.517 3.309 0.888 1.00 0.00 H new ATOM 0 HA ASN A 99 8.302 5.559 -0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.803 3.198 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.631 4.525 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 99 10.104 4.953 3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.485 3.511 2.684 1.00 0.00 H new ATOM 1535 N LEU A 100 8.676 2.666 -2.124 1.00 0.00 N ATOM 1536 CA LEU A 100 8.917 2.049 -3.424 1.00 0.00 C ATOM 1537 C LEU A 100 7.859 2.479 -4.435 1.00 0.00 C ATOM 1538 O LEU A 100 8.174 2.788 -5.585 1.00 0.00 O ATOM 1539 CB LEU A 100 8.925 0.525 -3.293 1.00 0.00 C ATOM 1540 CG LEU A 100 9.008 -0.261 -4.602 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.338 -0.005 -5.294 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.817 -1.748 -4.344 1.00 0.00 C ATOM 0 H LEU A 100 8.421 2.009 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 100 9.891 2.382 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.770 0.239 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.020 0.221 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 100 8.208 0.079 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.380 -0.572 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.435 1.058 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.154 -0.317 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.879 -2.292 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.595 -2.103 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.840 -1.916 -3.892 1.00 0.00 H new ATOM 1554 N LEU A 101 6.605 2.497 -4.000 1.00 0.00 N ATOM 1555 CA LEU A 101 5.500 2.891 -4.866 1.00 0.00 C ATOM 1556 C LEU A 101 5.686 4.319 -5.371 1.00 0.00 C ATOM 1557 O LEU A 101 5.516 4.593 -6.559 1.00 0.00 O ATOM 1558 CB LEU A 101 4.171 2.773 -4.118 1.00 0.00 C ATOM 1559 CG LEU A 101 2.912 3.069 -4.933 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.564 1.889 -5.826 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.747 3.406 -4.014 1.00 0.00 C ATOM 0 H LEU A 101 6.327 2.243 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 101 5.488 2.219 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.091 1.762 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.196 3.452 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 101 3.109 3.933 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.665 2.118 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.390 1.694 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.387 1.007 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.860 3.614 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.549 2.562 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.996 4.284 -3.418 1.00 0.00 H new ATOM 1573 N GLN A 102 6.039 5.221 -4.462 1.00 0.00 N ATOM 1574 CA GLN A 102 6.250 6.620 -4.817 1.00 0.00 C ATOM 1575 C GLN A 102 7.555 6.795 -5.585 1.00 0.00 C ATOM 1576 O GLN A 102 7.718 7.753 -6.342 1.00 0.00 O ATOM 1577 CB GLN A 102 6.264 7.490 -3.559 1.00 0.00 C ATOM 1578 CG GLN A 102 7.431 7.197 -2.629 1.00 0.00 C ATOM 1579 CD GLN A 102 7.624 8.272 -1.578 1.00 0.00 C ATOM 1580 OE1 GLN A 102 6.901 9.269 -1.553 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.602 8.075 -0.702 1.00 0.00 N ATOM 0 H GLN A 102 6.185 5.009 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 102 5.427 6.935 -5.459 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.299 8.539 -3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.331 7.343 -3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.267 6.238 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.344 7.101 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.177 7.234 -0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.779 8.764 0.029 1.00 0.00 H new ATOM 1590 N ASP A 103 8.483 5.866 -5.386 1.00 0.00 N ATOM 1591 CA ASP A 103 9.775 5.917 -6.061 1.00 0.00 C ATOM 1592 C ASP A 103 9.631 5.561 -7.537 1.00 0.00 C ATOM 1593 O ASP A 103 10.200 6.224 -8.406 1.00 0.00 O ATOM 1594 CB ASP A 103 10.764 4.965 -5.388 1.00 0.00 C ATOM 1595 CG ASP A 103 11.402 5.570 -4.153 1.00 0.00 C ATOM 1596 OD1 ASP A 103 10.836 6.542 -3.609 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.465 5.072 -3.730 1.00 0.00 O ATOM 0 H ASP A 103 8.365 5.068 -4.762 1.00 0.00 H new ATOM 0 HA ASP A 103 10.156 6.936 -5.987 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.248 4.045 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.543 4.693 -6.100 1.00 0.00 H new ATOM 1602 N LEU A 104 8.867 4.510 -7.815 1.00 0.00 N ATOM 1603 CA LEU A 104 8.649 4.064 -9.187 1.00 0.00 C ATOM 1604 C LEU A 104 7.932 5.136 -10.000 1.00 0.00 C ATOM 1605 O LEU A 104 8.232 5.342 -11.176 1.00 0.00 O ATOM 1606 CB LEU A 104 7.835 2.768 -9.200 1.00 0.00 C ATOM 1607 CG LEU A 104 8.530 1.534 -8.624 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.551 0.375 -8.511 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.723 1.144 -9.484 1.00 0.00 C ATOM 0 H LEU A 104 8.388 3.951 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 104 9.622 3.879 -9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.914 2.935 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.549 2.552 -10.229 1.00 0.00 H new ATOM 0 HG LEU A 104 8.892 1.777 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.063 -0.495 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.728 0.657 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.160 0.132 -9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.206 0.264 -9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.384 0.919 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.435 1.969 -9.514 1.00 0.00 H new ATOM 1621 N MET A 105 6.984 5.818 -9.366 1.00 0.00 N ATOM 1622 CA MET A 105 6.226 6.872 -10.030 1.00 0.00 C ATOM 1623 C MET A 105 7.112 8.081 -10.315 1.00 0.00 C ATOM 1624 O MET A 105 7.212 8.533 -11.455 1.00 0.00 O ATOM 1625 CB MET A 105 5.033 7.292 -9.170 1.00 0.00 C ATOM 1626 CG MET A 105 4.029 6.174 -8.938 1.00 0.00 C ATOM 1627 SD MET A 105 2.994 6.459 -7.489 1.00 0.00 S ATOM 1628 CE MET A 105 1.475 7.009 -8.261 1.00 0.00 C ATOM 0 H MET A 105 6.722 5.660 -8.393 1.00 0.00 H new ATOM 0 HA MET A 105 5.860 6.479 -10.979 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.397 7.648 -8.206 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.527 8.130 -9.649 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.395 6.072 -9.818 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.562 5.231 -8.819 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.922 7.641 -7.566 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.709 7.578 -9.161 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.868 6.144 -8.526 1.00 0.00 H new ATOM 1638 N GLN A 106 7.752 8.600 -9.272 1.00 0.00 N ATOM 1639 CA GLN A 106 8.628 9.757 -9.411 1.00 0.00 C ATOM 1640 C GLN A 106 9.783 9.454 -10.359 1.00 0.00 C ATOM 1641 O GLN A 106 10.054 10.216 -11.288 1.00 0.00 O ATOM 1642 CB GLN A 106 9.171 10.179 -8.045 1.00 0.00 C ATOM 1643 CG GLN A 106 10.179 9.202 -7.462 1.00 0.00 C ATOM 1644 CD GLN A 106 10.500 9.492 -6.009 1.00 0.00 C ATOM 1645 OE1 GLN A 106 11.721 9.946 -5.751 1.00 0.00 O flip ATOM 1646 NE2 GLN A 106 9.660 9.309 -5.128 1.00 0.00 N flip ATOM 0 H GLN A 106 7.680 8.237 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 106 8.043 10.576 -9.830 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.639 11.159 -8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.338 10.287 -7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.788 8.188 -7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.097 9.241 -8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.734 8.959 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.890 9.508 -4.154 1.00 0.00 H new ATOM 2022 N PHE A 136 -11.652 -6.094 -0.766 1.00 0.00 N ATOM 2023 CA PHE A 136 -12.588 -5.391 0.104 1.00 0.00 C ATOM 2024 C PHE A 136 -12.572 -3.892 -0.179 1.00 0.00 C ATOM 2025 O PHE A 136 -11.513 -3.265 -0.207 1.00 0.00 O ATOM 2026 CB PHE A 136 -12.243 -5.647 1.573 1.00 0.00 C ATOM 2027 CG PHE A 136 -13.361 -5.315 2.518 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -13.559 -4.012 2.947 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -14.214 -6.305 2.978 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -14.588 -3.702 3.817 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -15.245 -6.001 3.848 1.00 0.00 C ATOM 2032 CZ PHE A 136 -15.431 -4.699 4.269 1.00 0.00 C ATOM 0 HA PHE A 136 -13.589 -5.771 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.973 -6.696 1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -11.366 -5.058 1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -12.902 -3.230 2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -14.072 -7.325 2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -14.733 -2.682 4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -15.904 -6.781 4.198 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.234 -4.460 4.950 1.00 0.00 H new ATOM 2042 N ARG A 137 -13.755 -3.323 -0.390 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.878 -1.898 -0.673 1.00 0.00 C ATOM 2044 C ARG A 137 -14.277 -1.127 0.582 1.00 0.00 C ATOM 2045 O ARG A 137 -15.403 -1.250 1.067 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.909 -1.664 -1.778 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.509 -2.255 -3.120 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.727 -2.651 -3.940 1.00 0.00 C ATOM 2049 NE ARG A 137 -15.430 -3.734 -4.874 1.00 0.00 N ATOM 2050 CZ ARG A 137 -14.815 -3.552 -6.038 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -14.435 -2.337 -6.408 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -14.580 -4.588 -6.834 1.00 0.00 N ATOM 0 H ARG A 137 -14.641 -3.827 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.907 -1.534 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.862 -2.094 -1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -15.066 -0.592 -1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.915 -1.529 -3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.877 -3.129 -2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -16.530 -2.960 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -16.089 -1.784 -4.493 1.00 0.00 H new ATOM 0 HE ARG A 137 -15.710 -4.681 -4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -14.614 -1.539 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.963 -2.200 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.871 -5.524 -6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -14.108 -4.448 -7.727 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.349 -0.333 1.102 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.603 0.459 2.301 1.00 0.00 C ATOM 2068 C LEU A 138 -14.518 1.639 1.991 1.00 0.00 C ATOM 2069 O LEU A 138 -14.676 2.027 0.833 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.285 0.962 2.893 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.399 -0.094 3.554 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -10.070 0.512 3.976 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.108 -0.714 4.749 1.00 0.00 C ATOM 0 H LEU A 138 -12.413 -0.220 0.713 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.101 -0.181 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.713 1.442 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.512 1.731 3.632 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.201 -0.881 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.453 -0.255 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.555 0.907 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.247 1.319 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.462 -1.463 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.337 0.062 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.033 -1.186 4.418 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.117 2.207 3.032 1.00 0.00 N ATOM 2086 CA ARG A 139 -16.015 3.343 2.871 1.00 0.00 C ATOM 2087 C ARG A 139 -15.227 4.639 2.701 1.00 0.00 C ATOM 2088 O ARG A 139 -15.599 5.505 1.908 1.00 0.00 O ATOM 2089 CB ARG A 139 -16.951 3.457 4.076 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.147 2.521 4.009 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.027 2.828 2.807 1.00 0.00 C ATOM 2092 NE ARG A 139 -20.423 2.472 3.046 1.00 0.00 N ATOM 2093 CZ ARG A 139 -21.347 2.442 2.092 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -21.024 2.743 0.842 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -22.597 2.108 2.388 1.00 0.00 N ATOM 0 H ARG A 139 -14.996 1.899 3.997 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.610 3.179 1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.387 3.247 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.308 4.484 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -17.800 1.489 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -18.733 2.612 4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -18.959 3.890 2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -18.657 2.283 1.938 1.00 0.00 H new ATOM 0 HE ARG A 139 -20.704 2.233 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -20.064 2.998 0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -21.736 2.719 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -22.849 1.874 3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -23.306 2.085 1.655 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.138 4.766 3.452 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.297 5.956 3.385 1.00 0.00 C ATOM 2111 C HIS A 140 -11.819 5.581 3.443 1.00 0.00 C ATOM 2112 O HIS A 140 -11.470 4.403 3.520 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.638 6.912 4.529 1.00 0.00 C ATOM 2114 CG HIS A 140 -13.874 6.221 5.837 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -13.053 5.225 6.321 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -14.846 6.390 6.764 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -13.510 4.810 7.489 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -14.598 5.500 7.780 1.00 0.00 N ATOM 0 H HIS A 140 -13.817 4.060 4.114 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.490 6.454 2.435 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -12.825 7.628 4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -14.528 7.481 4.262 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -15.664 7.094 6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -13.069 4.038 8.102 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -15.162 5.390 8.622 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.956 6.591 3.406 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.516 6.367 3.452 1.00 0.00 C ATOM 2129 C PHE A 141 -9.020 6.315 4.894 1.00 0.00 C ATOM 2130 O PHE A 141 -9.008 7.316 5.610 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.782 7.472 2.688 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.489 7.018 2.074 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.475 6.017 1.116 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.287 7.593 2.453 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.287 5.597 0.549 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.095 7.177 1.890 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.095 6.179 0.936 1.00 0.00 C ATOM 0 H PHE A 141 -11.229 7.572 3.344 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.307 5.407 2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.434 7.854 1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.581 8.301 3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.404 5.560 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.281 8.376 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.290 4.815 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.165 7.632 2.196 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.165 5.854 0.493 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.600 5.118 5.332 1.00 0.00 N ATOM 2148 CA PRO A 142 -8.096 4.905 6.691 1.00 0.00 C ATOM 2149 C PRO A 142 -6.743 5.571 6.919 1.00 0.00 C ATOM 2150 O PRO A 142 -6.513 6.192 7.957 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.965 3.383 6.786 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.787 2.929 5.378 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.587 3.881 4.532 1.00 0.00 C ATOM 0 HA PRO A 142 -8.756 5.338 7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -7.114 3.097 7.405 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.851 2.937 7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.735 2.943 5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -8.138 1.905 5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -8.126 4.038 3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.595 3.508 4.351 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.852 5.439 5.942 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.521 6.028 6.036 1.00 0.00 C ATOM 2163 C CYS A 143 -4.605 7.498 6.437 1.00 0.00 C ATOM 2164 O CYS A 143 -5.693 8.058 6.558 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.785 5.892 4.703 1.00 0.00 C ATOM 2166 SG CYS A 143 -3.057 4.260 4.425 1.00 0.00 S ATOM 0 H CYS A 143 -6.027 4.929 5.076 1.00 0.00 H new ATOM 0 HA CYS A 143 -3.966 5.491 6.805 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -4.480 6.111 3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.996 6.643 4.658 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.195 4.004 5.364 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.446 8.116 6.644 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.410 9.514 7.031 1.00 0.00 C ATOM 2174 C GLY A 144 -2.305 10.281 6.333 1.00 0.00 C ATOM 2175 O GLY A 144 -2.437 11.477 6.074 1.00 0.00 O ATOM 0 H GLY A 144 -2.532 7.673 6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.370 9.976 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.272 9.586 8.110 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.210 9.592 6.029 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.075 10.217 5.358 1.00 0.00 C ATOM 2181 C ASN A 145 -0.280 10.237 3.847 1.00 0.00 C ATOM 2182 O ASN A 145 0.674 10.116 3.078 1.00 0.00 O ATOM 2183 CB ASN A 145 1.218 9.473 5.699 1.00 0.00 C ATOM 2184 CG ASN A 145 1.745 9.831 7.075 1.00 0.00 C ATOM 2185 OD1 ASN A 145 2.330 10.896 7.270 1.00 0.00 O ATOM 2186 ND2 ASN A 145 1.541 8.938 8.037 1.00 0.00 N ATOM 0 H ASN A 145 -1.084 8.601 6.236 1.00 0.00 H new ATOM 0 HA ASN A 145 0.002 11.246 5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 145 1.040 8.399 5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.976 9.705 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.875 9.122 8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 145 1.051 8.068 7.830 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.532 10.391 3.427 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.863 10.429 2.008 1.00 0.00 C ATOM 2195 C VAL A 146 -0.739 11.064 1.198 1.00 0.00 C ATOM 2196 O VAL A 146 -0.110 12.026 1.638 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.167 11.210 1.756 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.337 11.502 0.273 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.362 10.439 2.296 1.00 0.00 C ATOM 0 H VAL A 146 -2.334 10.491 4.050 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.999 9.396 1.687 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.108 12.161 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.263 12.054 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -2.495 12.098 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.375 10.564 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.275 11.005 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.427 9.472 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.242 10.287 3.369 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.491 10.520 0.011 1.00 0.00 N ATOM 2210 CA ASN A 147 0.559 11.034 -0.862 1.00 0.00 C ATOM 2211 C ASN A 147 0.036 11.235 -2.281 1.00 0.00 C ATOM 2212 O ASN A 147 -0.711 10.407 -2.802 1.00 0.00 O ATOM 2213 CB ASN A 147 1.752 10.077 -0.877 1.00 0.00 C ATOM 2214 CG ASN A 147 3.004 10.723 -1.438 1.00 0.00 C ATOM 2215 OD1 ASN A 147 3.079 11.944 -1.573 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.996 9.903 -1.767 1.00 0.00 N ATOM 0 H ASN A 147 -1.003 9.723 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 147 0.881 12.000 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.949 9.730 0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.502 9.198 -1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.864 10.280 -2.149 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.890 8.897 -1.638 1.00 0.00 H new ATOM 2223 N TYR A 148 0.435 12.340 -2.901 1.00 0.00 N ATOM 2224 CA TYR A 148 0.006 12.652 -4.259 1.00 0.00 C ATOM 2225 C TYR A 148 1.071 12.245 -5.273 1.00 0.00 C ATOM 2226 O TYR A 148 2.177 12.783 -5.279 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.295 14.145 -4.391 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.258 14.663 -3.346 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.442 13.992 -3.071 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -0.982 15.824 -2.634 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.325 14.462 -2.118 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -1.858 16.301 -1.678 1.00 0.00 C ATOM 2233 CZ TYR A 148 -3.028 15.617 -1.424 1.00 0.00 C ATOM 2234 OH TYR A 148 -3.904 16.088 -0.473 1.00 0.00 O ATOM 0 H TYR A 148 1.055 13.035 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 148 -0.902 12.086 -4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 148 0.639 14.703 -4.321 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -0.708 14.338 -5.381 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -2.677 13.087 -3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -0.067 16.363 -2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.242 13.928 -1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -1.628 17.204 -1.133 1.00 0.00 H new ATOM 0 HH TYR A 148 -3.546 16.909 -0.076 1.00 0.00 H new ATOM 2244 N GLY A 149 0.726 11.290 -6.132 1.00 0.00 N ATOM 2245 CA GLY A 149 1.662 10.826 -7.140 1.00 0.00 C ATOM 2246 C GLY A 149 1.525 11.580 -8.448 1.00 0.00 C ATOM 2247 O GLY A 149 2.032 12.694 -8.587 1.00 0.00 O ATOM 0 H GLY A 149 -0.184 10.830 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.680 10.937 -6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.502 9.763 -7.318 1.00 0.00 H new