USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 761 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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= 0 K(o=0.078,f=-2.6) USER MOD Set 1.3: A 147 ASN : amide:sc= 0.0776 K(o=0.078,f=-2.5!) USER MOD Set 2.1: A 80 CYS SG : rot -84:sc= 0.411 USER MOD Set 2.2: A 82 THR OG1 : rot 120:sc= 0.551 USER MOD Single : A 19 THR OG1 : rot -34:sc= 0.836 USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.25) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.744 F(o=0.011,f=0.74) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 153:sc= 0 (180deg=-0.15) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.713 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.83 K(o=0.83,f=-2.5!) USER MOD Single : A 59 TYR OH : rot 169:sc= 0.139 USER MOD Single : A 61 CYS SG : rot -51:sc= 0.771 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0424 K(o=-0.042,f=-2.2!) USER MOD Single : A 73 SER OG : rot 35:sc= 0.0095 USER MOD Single : A 76 SER OG : rot 170:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0.348 X(o=0.35,f=0) USER MOD Single : A 84 GLN : amide:sc= 0.595 K(o=0.6,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc=0.000994 USER MOD Single : A 99 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 105 MET CE :methyl 155:sc= 0 (180deg=-0.431) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 143 CYS SG : rot 170:sc= -0.0737 USER MOD Single : A 145 ASN : amide:sc= 0.705 K(o=0.71,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.496 0.530 -11.511 1.00 0.00 N ATOM 234 CA THR A 19 6.685 1.752 -11.323 1.00 0.00 C ATOM 235 C THR A 19 5.162 1.526 -11.329 1.00 0.00 C ATOM 236 O THR A 19 4.388 2.464 -11.523 1.00 0.00 O ATOM 237 CB THR A 19 7.183 2.829 -12.301 1.00 0.00 C ATOM 238 OG1 THR A 19 6.538 4.050 -12.066 1.00 0.00 O ATOM 239 CG2 THR A 19 6.968 2.432 -13.756 1.00 0.00 C ATOM 0 HA THR A 19 6.840 2.114 -10.306 1.00 0.00 H new ATOM 0 HB THR A 19 8.254 2.932 -12.126 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.616 3.883 -11.779 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.336 3.225 -14.408 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.510 1.510 -13.965 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.904 2.277 -13.938 1.00 0.00 H new ATOM 247 N LYS A 20 4.712 0.293 -11.086 1.00 0.00 N ATOM 248 CA LYS A 20 3.292 -0.095 -11.068 1.00 0.00 C ATOM 249 C LYS A 20 3.045 -1.162 -9.985 1.00 0.00 C ATOM 250 O LYS A 20 3.723 -2.193 -9.966 1.00 0.00 O ATOM 251 CB LYS A 20 2.907 -0.607 -12.470 1.00 0.00 C ATOM 252 CG LYS A 20 1.394 -0.618 -12.742 1.00 0.00 C ATOM 253 CD LYS A 20 0.836 0.719 -13.262 1.00 0.00 C ATOM 254 CE LYS A 20 1.400 1.064 -14.650 1.00 0.00 C ATOM 255 NZ LYS A 20 0.561 2.058 -15.368 1.00 0.00 N ATOM 0 H LYS A 20 5.339 -0.487 -10.890 1.00 0.00 H new ATOM 0 HA LYS A 20 2.667 0.763 -10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.395 0.016 -13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.295 -1.618 -12.595 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.173 -1.399 -13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.873 -0.883 -11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.251 0.665 -13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.083 1.515 -12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.411 1.456 -14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.473 0.155 -15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.016 2.310 -16.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.377 1.650 -15.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.456 2.911 -14.783 1.00 0.00 H new ATOM 269 N PHE A 21 2.088 -0.929 -9.081 1.00 0.00 N ATOM 270 CA PHE A 21 1.903 -1.740 -7.871 1.00 0.00 C ATOM 271 C PHE A 21 0.427 -1.956 -7.532 1.00 0.00 C ATOM 272 O PHE A 21 -0.315 -1.005 -7.297 1.00 0.00 O ATOM 273 CB PHE A 21 2.628 -1.049 -6.697 1.00 0.00 C ATOM 274 CG PHE A 21 4.140 -1.039 -6.818 1.00 0.00 C ATOM 275 CD1 PHE A 21 4.802 0.007 -7.491 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.889 -2.099 -6.273 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.197 -0.037 -7.661 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.282 -2.138 -6.431 1.00 0.00 C ATOM 279 CZ PHE A 21 6.939 -1.109 -7.132 1.00 0.00 C ATOM 0 H PHE A 21 1.415 -0.168 -9.168 1.00 0.00 H new ATOM 0 HA PHE A 21 2.327 -2.727 -8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.274 -0.021 -6.621 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.352 -1.550 -5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.237 0.843 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.388 -2.887 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.700 0.753 -8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.850 -2.957 -6.015 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.010 -1.142 -7.263 1.00 0.00 H new ATOM 289 N LYS A 22 -0.002 -3.219 -7.450 1.00 0.00 N ATOM 290 CA LYS A 22 -1.316 -3.575 -6.895 1.00 0.00 C ATOM 291 C LYS A 22 -1.352 -3.184 -5.402 1.00 0.00 C ATOM 292 O LYS A 22 -0.432 -3.522 -4.653 1.00 0.00 O ATOM 293 CB LYS A 22 -1.580 -5.086 -7.048 1.00 0.00 C ATOM 294 CG LYS A 22 -1.555 -5.631 -8.485 1.00 0.00 C ATOM 295 CD LYS A 22 -2.800 -5.287 -9.307 1.00 0.00 C ATOM 296 CE LYS A 22 -2.689 -5.960 -10.684 1.00 0.00 C ATOM 297 NZ LYS A 22 -3.926 -5.825 -11.493 1.00 0.00 N ATOM 0 H LYS A 22 0.546 -4.020 -7.764 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.092 -3.037 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.836 -5.626 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.553 -5.311 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.676 -5.238 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.445 -6.715 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.698 -5.628 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.889 -4.207 -9.422 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.854 -5.522 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.463 -7.018 -10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.794 -6.297 -12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.721 -6.266 -10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.131 -4.817 -11.648 1.00 0.00 H new ATOM 311 N VAL A 23 -2.402 -2.487 -4.974 1.00 0.00 N ATOM 312 CA VAL A 23 -2.595 -2.007 -3.590 1.00 0.00 C ATOM 313 C VAL A 23 -4.045 -2.213 -3.146 1.00 0.00 C ATOM 314 O VAL A 23 -4.941 -2.270 -3.987 1.00 0.00 O ATOM 315 CB VAL A 23 -2.199 -0.521 -3.416 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.686 -0.303 -3.568 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.977 0.437 -4.334 1.00 0.00 C ATOM 0 H VAL A 23 -3.171 -2.228 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.932 -2.599 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.482 -0.274 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.456 0.754 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.157 -0.885 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.370 -0.624 -4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.646 1.460 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.794 0.172 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.043 0.358 -4.122 1.00 0.00 H new ATOM 327 N THR A 24 -4.277 -2.280 -1.831 1.00 0.00 N ATOM 328 CA THR A 24 -5.617 -2.377 -1.232 1.00 0.00 C ATOM 329 C THR A 24 -5.704 -1.393 -0.084 1.00 0.00 C ATOM 330 O THR A 24 -4.950 -1.508 0.877 1.00 0.00 O ATOM 331 CB THR A 24 -5.903 -3.809 -0.761 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.775 -4.678 -1.868 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.331 -3.958 -0.237 1.00 0.00 C ATOM 0 H THR A 24 -3.528 -2.268 -1.139 1.00 0.00 H new ATOM 0 HA THR A 24 -6.373 -2.130 -1.977 1.00 0.00 H new ATOM 0 HB THR A 24 -5.200 -4.045 0.038 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.953 -5.599 -1.583 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.494 -4.986 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.481 -3.284 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.037 -3.711 -1.030 1.00 0.00 H new ATOM 341 N ASN A 25 -6.597 -0.412 -0.189 1.00 0.00 N ATOM 342 CA ASN A 25 -6.809 0.579 0.869 1.00 0.00 C ATOM 343 C ASN A 25 -7.404 -0.088 2.121 1.00 0.00 C ATOM 344 O ASN A 25 -8.271 -0.958 1.984 1.00 0.00 O ATOM 345 CB ASN A 25 -7.727 1.688 0.339 1.00 0.00 C ATOM 346 CG ASN A 25 -7.926 2.786 1.376 1.00 0.00 C ATOM 347 OD1 ASN A 25 -6.944 3.643 1.583 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -8.956 2.859 2.031 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.193 -0.280 -1.006 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.854 1.019 1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.299 2.115 -0.568 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.693 1.264 0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.712 2.195 1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.059 3.584 2.741 1.00 0.00 H new ATOM 355 N VAL A 26 -6.966 0.317 3.320 1.00 0.00 N ATOM 356 CA VAL A 26 -7.449 -0.279 4.579 1.00 0.00 C ATOM 357 C VAL A 26 -7.716 0.739 5.688 1.00 0.00 C ATOM 358 O VAL A 26 -7.092 1.799 5.747 1.00 0.00 O ATOM 359 CB VAL A 26 -6.515 -1.394 5.111 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.433 -2.589 4.151 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.086 -0.907 5.417 1.00 0.00 C ATOM 0 H VAL A 26 -6.276 1.057 3.448 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.407 -0.723 4.307 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.975 -1.707 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.767 -3.345 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.427 -3.016 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.047 -2.256 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.488 -1.741 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.634 -0.511 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.123 -0.124 6.175 1.00 0.00 H new ATOM 371 N ASP A 27 -8.662 0.387 6.565 1.00 0.00 N ATOM 372 CA ASP A 27 -9.022 1.145 7.766 1.00 0.00 C ATOM 373 C ASP A 27 -8.047 0.928 8.945 1.00 0.00 C ATOM 374 O ASP A 27 -7.035 0.233 8.835 1.00 0.00 O ATOM 375 CB ASP A 27 -10.482 0.825 8.152 1.00 0.00 C ATOM 376 CG ASP A 27 -10.707 -0.536 8.837 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.839 -1.435 8.737 1.00 0.00 O ATOM 378 OD2 ASP A 27 -11.761 -0.687 9.494 1.00 0.00 O ATOM 0 H ASP A 27 -9.216 -0.462 6.454 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.937 2.206 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.844 1.610 8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.094 0.863 7.251 1.00 0.00 H new ATOM 383 N ASP A 28 -8.377 1.508 10.104 1.00 0.00 N ATOM 384 CA ASP A 28 -7.584 1.423 11.340 1.00 0.00 C ATOM 385 C ASP A 28 -7.503 -0.002 11.940 1.00 0.00 C ATOM 386 O ASP A 28 -6.636 -0.278 12.770 1.00 0.00 O ATOM 387 CB ASP A 28 -8.183 2.415 12.349 1.00 0.00 C ATOM 388 CG ASP A 28 -7.304 2.607 13.597 1.00 0.00 C ATOM 389 OD1 ASP A 28 -6.165 3.112 13.459 1.00 0.00 O ATOM 390 OD2 ASP A 28 -7.775 2.294 14.717 1.00 0.00 O ATOM 0 H ASP A 28 -9.225 2.065 10.214 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.552 1.678 11.100 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.327 3.379 11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.168 2.063 12.656 1.00 0.00 H new ATOM 395 N GLU A 29 -8.370 -0.913 11.485 1.00 0.00 N ATOM 396 CA GLU A 29 -8.401 -2.334 11.860 1.00 0.00 C ATOM 397 C GLU A 29 -7.754 -3.247 10.793 1.00 0.00 C ATOM 398 O GLU A 29 -7.668 -4.463 10.989 1.00 0.00 O ATOM 399 CB GLU A 29 -9.857 -2.761 12.124 1.00 0.00 C ATOM 400 CG GLU A 29 -10.475 -2.140 13.386 1.00 0.00 C ATOM 401 CD GLU A 29 -9.884 -2.740 14.674 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.229 -3.894 15.021 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.091 -2.055 15.365 1.00 0.00 O ATOM 0 H GLU A 29 -9.101 -0.671 10.816 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.808 -2.450 12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.466 -2.488 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.896 -3.847 12.210 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.308 -1.063 13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.554 -2.296 13.375 1.00 0.00 H new ATOM 410 N GLY A 30 -7.286 -2.690 9.666 1.00 0.00 N ATOM 411 CA GLY A 30 -6.637 -3.428 8.573 1.00 0.00 C ATOM 412 C GLY A 30 -7.609 -4.160 7.640 1.00 0.00 C ATOM 413 O GLY A 30 -7.180 -5.070 6.929 1.00 0.00 O ATOM 0 H GLY A 30 -7.350 -1.688 9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.042 -2.731 7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.946 -4.155 9.001 1.00 0.00 H new ATOM 417 N VAL A 31 -8.891 -3.788 7.641 1.00 0.00 N ATOM 418 CA VAL A 31 -9.958 -4.387 6.817 1.00 0.00 C ATOM 419 C VAL A 31 -9.881 -3.827 5.396 1.00 0.00 C ATOM 420 O VAL A 31 -9.706 -2.625 5.221 1.00 0.00 O ATOM 421 CB VAL A 31 -11.364 -4.113 7.409 1.00 0.00 C ATOM 422 CG1 VAL A 31 -12.471 -4.828 6.611 1.00 0.00 C ATOM 423 CG2 VAL A 31 -11.454 -4.572 8.875 1.00 0.00 C ATOM 0 H VAL A 31 -9.233 -3.034 8.236 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.806 -5.466 6.804 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.513 -3.035 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.441 -4.610 7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.460 -4.477 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.296 -5.904 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.453 -4.366 9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.256 -5.642 8.934 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.717 -4.034 9.471 1.00 0.00 H new ATOM 433 N GLU A 32 -10.017 -4.695 4.391 1.00 0.00 N ATOM 434 CA GLU A 32 -9.937 -4.347 2.967 1.00 0.00 C ATOM 435 C GLU A 32 -11.162 -3.528 2.511 1.00 0.00 C ATOM 436 O GLU A 32 -12.285 -4.041 2.492 1.00 0.00 O ATOM 437 CB GLU A 32 -9.803 -5.636 2.132 1.00 0.00 C ATOM 438 CG GLU A 32 -8.530 -6.435 2.454 1.00 0.00 C ATOM 439 CD GLU A 32 -8.486 -7.746 1.653 1.00 0.00 C ATOM 440 OE1 GLU A 32 -9.051 -8.762 2.125 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.882 -7.776 0.555 1.00 0.00 O ATOM 0 H GLU A 32 -10.191 -5.688 4.548 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.058 -3.721 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.674 -6.267 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.804 -5.377 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.651 -5.834 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.494 -6.655 3.521 1.00 0.00 H new ATOM 448 N LEU A 33 -10.949 -2.265 2.113 1.00 0.00 N ATOM 449 CA LEU A 33 -11.991 -1.412 1.515 1.00 0.00 C ATOM 450 C LEU A 33 -12.211 -1.774 0.041 1.00 0.00 C ATOM 451 O LEU A 33 -13.342 -2.008 -0.391 1.00 0.00 O ATOM 452 CB LEU A 33 -11.602 0.083 1.620 1.00 0.00 C ATOM 453 CG LEU A 33 -11.795 0.793 2.973 1.00 0.00 C ATOM 454 CD1 LEU A 33 -13.229 0.675 3.492 1.00 0.00 C ATOM 455 CD2 LEU A 33 -10.841 0.354 4.063 1.00 0.00 C ATOM 0 H LEU A 33 -10.044 -1.802 2.197 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.915 -1.583 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.552 0.174 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.177 0.630 0.872 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.566 1.834 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.314 1.192 4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.914 1.126 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -13.483 -0.377 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.053 0.908 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.966 -0.713 4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.816 0.550 3.750 1.00 0.00 H new ATOM 467 N GLY A 34 -11.117 -1.814 -0.722 1.00 0.00 N ATOM 468 CA GLY A 34 -11.091 -2.131 -2.153 1.00 0.00 C ATOM 469 C GLY A 34 -9.690 -2.058 -2.755 1.00 0.00 C ATOM 470 O GLY A 34 -8.816 -1.351 -2.250 1.00 0.00 O ATOM 0 H GLY A 34 -10.189 -1.619 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.494 -3.132 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.745 -1.440 -2.685 1.00 0.00 H new ATOM 474 N SER A 35 -9.475 -2.797 -3.840 1.00 0.00 N ATOM 475 CA SER A 35 -8.186 -2.905 -4.533 1.00 0.00 C ATOM 476 C SER A 35 -8.061 -1.936 -5.727 1.00 0.00 C ATOM 477 O SER A 35 -9.039 -1.623 -6.415 1.00 0.00 O ATOM 478 CB SER A 35 -7.948 -4.364 -4.958 1.00 0.00 C ATOM 479 OG SER A 35 -9.018 -4.894 -5.736 1.00 0.00 O ATOM 0 H SER A 35 -10.210 -3.354 -4.276 1.00 0.00 H new ATOM 0 HA SER A 35 -7.407 -2.606 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.023 -4.424 -5.532 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.812 -4.979 -4.069 1.00 0.00 H new ATOM 0 HG SER A 35 -8.816 -5.821 -5.981 1.00 0.00 H new ATOM 485 N GLY A 36 -6.835 -1.460 -5.972 1.00 0.00 N ATOM 486 CA GLY A 36 -6.463 -0.507 -7.021 1.00 0.00 C ATOM 487 C GLY A 36 -5.037 -0.704 -7.526 1.00 0.00 C ATOM 488 O GLY A 36 -4.270 -1.492 -6.961 1.00 0.00 O ATOM 0 H GLY A 36 -6.032 -1.746 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.156 -0.606 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.570 0.508 -6.637 1.00 0.00 H new ATOM 492 N VAL A 37 -4.680 0.031 -8.579 1.00 0.00 N ATOM 493 CA VAL A 37 -3.332 0.015 -9.176 1.00 0.00 C ATOM 494 C VAL A 37 -2.661 1.365 -8.932 1.00 0.00 C ATOM 495 O VAL A 37 -3.080 2.386 -9.473 1.00 0.00 O ATOM 496 CB VAL A 37 -3.360 -0.315 -10.687 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.927 -0.485 -11.213 1.00 0.00 C ATOM 498 CG2 VAL A 37 -4.161 -1.591 -10.991 1.00 0.00 C ATOM 0 H VAL A 37 -5.323 0.665 -9.053 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.758 -0.778 -8.696 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.853 0.519 -11.187 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.955 -0.717 -12.278 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.370 0.439 -11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.437 -1.298 -10.677 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.151 -1.780 -12.064 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.711 -2.436 -10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.190 -1.463 -10.655 1.00 0.00 H new ATOM 508 N MET A 38 -1.607 1.365 -8.119 1.00 0.00 N ATOM 509 CA MET A 38 -0.821 2.546 -7.766 1.00 0.00 C ATOM 510 C MET A 38 0.343 2.733 -8.747 1.00 0.00 C ATOM 511 O MET A 38 1.015 1.778 -9.140 1.00 0.00 O ATOM 512 CB MET A 38 -0.357 2.409 -6.309 1.00 0.00 C ATOM 513 CG MET A 38 0.343 3.669 -5.792 1.00 0.00 C ATOM 514 SD MET A 38 0.714 3.635 -4.020 1.00 0.00 S ATOM 515 CE MET A 38 -0.903 4.100 -3.347 1.00 0.00 C ATOM 0 H MET A 38 -1.265 0.514 -7.672 1.00 0.00 H new ATOM 0 HA MET A 38 -1.429 3.447 -7.845 1.00 0.00 H new ATOM 0 HB2 MET A 38 -1.218 2.191 -5.677 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.322 1.561 -6.226 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.273 3.808 -6.344 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.286 4.534 -6.004 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.014 3.684 -2.346 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.978 5.186 -3.299 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.691 3.710 -3.991 1.00 0.00 H new ATOM 525 N GLU A 39 0.566 3.984 -9.134 1.00 0.00 N ATOM 526 CA GLU A 39 1.547 4.420 -10.126 1.00 0.00 C ATOM 527 C GLU A 39 2.246 5.698 -9.638 1.00 0.00 C ATOM 528 O GLU A 39 1.593 6.672 -9.252 1.00 0.00 O ATOM 529 CB GLU A 39 0.794 4.645 -11.446 1.00 0.00 C ATOM 530 CG GLU A 39 1.667 5.175 -12.591 1.00 0.00 C ATOM 531 CD GLU A 39 0.825 5.413 -13.851 1.00 0.00 C ATOM 532 OE1 GLU A 39 0.028 4.518 -14.217 1.00 0.00 O ATOM 533 OE2 GLU A 39 0.959 6.484 -14.486 1.00 0.00 O ATOM 0 H GLU A 39 0.039 4.765 -8.744 1.00 0.00 H new ATOM 0 HA GLU A 39 2.325 3.671 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.341 3.704 -11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.020 5.348 -11.271 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.147 6.105 -12.288 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.462 4.462 -12.809 1.00 0.00 H new ATOM 540 N LEU A 40 3.580 5.703 -9.659 1.00 0.00 N ATOM 541 CA LEU A 40 4.417 6.806 -9.179 1.00 0.00 C ATOM 542 C LEU A 40 5.172 7.407 -10.371 1.00 0.00 C ATOM 543 O LEU A 40 6.117 6.796 -10.877 1.00 0.00 O ATOM 544 CB LEU A 40 5.390 6.288 -8.098 1.00 0.00 C ATOM 545 CG LEU A 40 4.808 6.207 -6.674 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.847 5.033 -6.440 1.00 0.00 C ATOM 547 CD2 LEU A 40 5.946 6.093 -5.654 1.00 0.00 C ATOM 0 H LEU A 40 4.124 4.919 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 40 3.801 7.584 -8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.736 5.296 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.265 6.937 -8.079 1.00 0.00 H new ATOM 0 HG LEU A 40 4.232 7.124 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.488 5.056 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.001 5.114 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.369 4.094 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.529 6.036 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.528 5.194 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.592 6.968 -5.730 1.00 0.00 H new ATOM 559 N THR A 41 4.759 8.594 -10.833 1.00 0.00 N ATOM 560 CA THR A 41 5.386 9.269 -11.991 1.00 0.00 C ATOM 561 C THR A 41 6.553 10.136 -11.529 1.00 0.00 C ATOM 562 O THR A 41 6.820 10.235 -10.336 1.00 0.00 O ATOM 563 CB THR A 41 4.366 10.051 -12.836 1.00 0.00 C ATOM 564 OG1 THR A 41 4.054 11.284 -12.229 1.00 0.00 O ATOM 565 CG2 THR A 41 3.070 9.274 -13.079 1.00 0.00 C ATOM 0 H THR A 41 3.985 9.116 -10.422 1.00 0.00 H new ATOM 0 HA THR A 41 5.784 8.501 -12.654 1.00 0.00 H new ATOM 0 HB THR A 41 4.842 10.217 -13.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.405 11.766 -12.783 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.391 9.878 -13.681 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.295 8.347 -13.606 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.600 9.043 -12.123 1.00 0.00 H new ATOM 573 N GLN A 42 7.242 10.807 -12.456 1.00 0.00 N ATOM 574 CA GLN A 42 8.242 11.828 -12.115 1.00 0.00 C ATOM 575 C GLN A 42 7.602 13.169 -11.692 1.00 0.00 C ATOM 576 O GLN A 42 8.319 14.114 -11.364 1.00 0.00 O ATOM 577 CB GLN A 42 9.229 12.006 -13.283 1.00 0.00 C ATOM 578 CG GLN A 42 10.106 10.758 -13.502 1.00 0.00 C ATOM 579 CD GLN A 42 11.148 10.918 -14.617 1.00 0.00 C ATOM 580 OE1 GLN A 42 11.270 11.940 -15.284 1.00 0.00 O ATOM 581 NE2 GLN A 42 11.952 9.903 -14.867 1.00 0.00 N ATOM 0 H GLN A 42 7.125 10.661 -13.459 1.00 0.00 H new ATOM 0 HA GLN A 42 8.794 11.477 -11.243 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.674 12.222 -14.196 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.868 12.867 -13.088 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.619 10.518 -12.571 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.462 9.911 -13.739 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.870 9.042 -14.326 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.656 9.979 -15.601 1.00 0.00 H new ATOM 590 N SER A 43 6.267 13.266 -11.666 1.00 0.00 N ATOM 591 CA SER A 43 5.526 14.497 -11.337 1.00 0.00 C ATOM 592 C SER A 43 4.613 14.355 -10.106 1.00 0.00 C ATOM 593 O SER A 43 4.464 15.318 -9.349 1.00 0.00 O ATOM 594 CB SER A 43 4.666 14.927 -12.538 1.00 0.00 C ATOM 595 OG SER A 43 5.452 15.191 -13.697 1.00 0.00 O ATOM 0 H SER A 43 5.656 12.477 -11.877 1.00 0.00 H new ATOM 0 HA SER A 43 6.279 15.248 -11.100 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.942 14.144 -12.763 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.099 15.820 -12.275 1.00 0.00 H new ATOM 0 HG SER A 43 4.866 15.459 -14.436 1.00 0.00 H new ATOM 601 N GLU A 44 3.991 13.187 -9.890 1.00 0.00 N ATOM 602 CA GLU A 44 2.963 12.981 -8.866 1.00 0.00 C ATOM 603 C GLU A 44 2.665 11.496 -8.605 1.00 0.00 C ATOM 604 O GLU A 44 2.955 10.616 -9.422 1.00 0.00 O ATOM 605 CB GLU A 44 1.668 13.738 -9.237 1.00 0.00 C ATOM 606 CG GLU A 44 0.972 13.237 -10.511 1.00 0.00 C ATOM 607 CD GLU A 44 -0.116 14.212 -10.996 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.839 14.802 -10.160 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.253 14.390 -12.229 1.00 0.00 O ATOM 0 H GLU A 44 4.193 12.347 -10.432 1.00 0.00 H new ATOM 0 HA GLU A 44 3.362 13.387 -7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.969 13.663 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.904 14.795 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.713 13.100 -11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.525 12.261 -10.320 1.00 0.00 H new ATOM 616 N LEU A 45 2.030 11.227 -7.463 1.00 0.00 N ATOM 617 CA LEU A 45 1.469 9.922 -7.137 1.00 0.00 C ATOM 618 C LEU A 45 0.098 9.793 -7.818 1.00 0.00 C ATOM 619 O LEU A 45 -0.713 10.717 -7.739 1.00 0.00 O ATOM 620 CB LEU A 45 1.355 9.787 -5.601 1.00 0.00 C ATOM 621 CG LEU A 45 1.863 8.447 -5.040 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.559 8.353 -3.542 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.267 7.239 -5.767 1.00 0.00 C ATOM 0 H LEU A 45 1.891 11.922 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 45 2.113 9.120 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.915 10.598 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.311 9.915 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 45 2.941 8.423 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.923 7.401 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.055 9.170 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.483 8.421 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.660 6.321 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.182 7.253 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.534 7.282 -6.823 1.00 0.00 H new ATOM 635 N VAL A 46 -0.178 8.659 -8.461 1.00 0.00 N ATOM 636 CA VAL A 46 -1.436 8.363 -9.165 1.00 0.00 C ATOM 637 C VAL A 46 -1.980 7.015 -8.676 1.00 0.00 C ATOM 638 O VAL A 46 -1.218 6.083 -8.420 1.00 0.00 O ATOM 639 CB VAL A 46 -1.234 8.345 -10.702 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.569 8.165 -11.449 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.562 9.630 -11.219 1.00 0.00 C ATOM 0 H VAL A 46 0.490 7.890 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.156 9.151 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.581 7.495 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.386 8.157 -12.524 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.028 7.222 -11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.239 8.988 -11.201 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.443 9.568 -12.301 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.183 10.491 -10.971 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.416 9.742 -10.752 1.00 0.00 H new ATOM 651 N LEU A 47 -3.302 6.902 -8.549 1.00 0.00 N ATOM 652 CA LEU A 47 -3.992 5.682 -8.135 1.00 0.00 C ATOM 653 C LEU A 47 -5.233 5.465 -9.008 1.00 0.00 C ATOM 654 O LEU A 47 -6.142 6.298 -9.052 1.00 0.00 O ATOM 655 CB LEU A 47 -4.323 5.762 -6.628 1.00 0.00 C ATOM 656 CG LEU A 47 -4.173 4.430 -5.862 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.688 4.594 -4.430 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.913 3.256 -6.511 1.00 0.00 C ATOM 0 H LEU A 47 -3.938 7.677 -8.736 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.349 4.814 -8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.673 6.506 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.347 6.118 -6.513 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.109 4.194 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.580 3.651 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.112 5.368 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.740 4.880 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.760 2.356 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.978 3.481 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.528 3.095 -7.518 1.00 0.00 H new ATOM 670 N HIS A 48 -5.242 4.331 -9.705 1.00 0.00 N ATOM 671 CA HIS A 48 -6.311 3.859 -10.585 1.00 0.00 C ATOM 672 C HIS A 48 -7.232 2.871 -9.838 1.00 0.00 C ATOM 673 O HIS A 48 -6.742 1.943 -9.181 1.00 0.00 O ATOM 674 CB HIS A 48 -5.654 3.180 -11.797 1.00 0.00 C ATOM 675 CG HIS A 48 -4.627 4.015 -12.522 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.905 5.089 -13.371 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.278 3.809 -12.502 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.713 5.494 -13.846 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.718 4.739 -13.347 1.00 0.00 N ATOM 0 H HIS A 48 -4.459 3.679 -9.669 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.929 4.695 -10.912 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.179 2.257 -11.463 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.435 2.899 -12.504 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.751 3.059 -11.931 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.574 6.314 -14.535 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.725 4.838 -13.558 1.00 0.00 H new ATOM 687 N LEU A 49 -8.553 3.059 -9.940 1.00 0.00 N ATOM 688 CA LEU A 49 -9.580 2.331 -9.176 1.00 0.00 C ATOM 689 C LEU A 49 -10.697 1.825 -10.104 1.00 0.00 C ATOM 690 O LEU A 49 -11.130 2.530 -11.017 1.00 0.00 O ATOM 691 CB LEU A 49 -10.149 3.270 -8.086 1.00 0.00 C ATOM 692 CG LEU A 49 -9.158 3.685 -6.977 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.768 4.797 -6.112 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.789 2.499 -6.073 1.00 0.00 C ATOM 0 H LEU A 49 -8.953 3.746 -10.579 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.131 1.457 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.524 4.172 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.003 2.780 -7.620 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.253 4.043 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.060 5.082 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.989 5.663 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.688 4.437 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.090 2.830 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.690 2.108 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.325 1.715 -6.672 1.00 0.00 H new ATOM 786 N ALA A 54 -9.786 8.151 -11.296 1.00 0.00 N ATOM 787 CA ALA A 54 -8.409 8.094 -10.805 1.00 0.00 C ATOM 788 C ALA A 54 -8.167 9.183 -9.740 1.00 0.00 C ATOM 789 O ALA A 54 -8.772 10.260 -9.786 1.00 0.00 O ATOM 790 CB ALA A 54 -7.446 8.220 -11.994 1.00 0.00 C ATOM 0 HA ALA A 54 -8.227 7.136 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.418 8.178 -11.635 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.620 7.401 -12.692 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.615 9.170 -12.500 1.00 0.00 H new ATOM 796 N VAL A 55 -7.274 8.906 -8.789 1.00 0.00 N ATOM 797 CA VAL A 55 -6.950 9.803 -7.666 1.00 0.00 C ATOM 798 C VAL A 55 -5.473 10.188 -7.729 1.00 0.00 C ATOM 799 O VAL A 55 -4.613 9.318 -7.841 1.00 0.00 O ATOM 800 CB VAL A 55 -7.294 9.171 -6.298 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.075 10.194 -5.174 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.758 8.696 -6.238 1.00 0.00 C ATOM 0 H VAL A 55 -6.742 8.036 -8.773 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.564 10.699 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.637 8.311 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.320 9.739 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.032 10.511 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.717 11.059 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.959 8.258 -5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.423 9.545 -6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.930 7.948 -7.012 1.00 0.00 H new ATOM 812 N ARG A 56 -5.192 11.494 -7.675 1.00 0.00 N ATOM 813 CA ARG A 56 -3.857 12.071 -7.834 1.00 0.00 C ATOM 814 C ARG A 56 -3.439 12.880 -6.601 1.00 0.00 C ATOM 815 O ARG A 56 -4.219 13.692 -6.094 1.00 0.00 O ATOM 816 CB ARG A 56 -3.861 12.981 -9.070 1.00 0.00 C ATOM 817 CG ARG A 56 -4.009 12.200 -10.384 1.00 0.00 C ATOM 818 CD ARG A 56 -4.166 13.179 -11.550 1.00 0.00 C ATOM 819 NE ARG A 56 -4.046 12.493 -12.850 1.00 0.00 N ATOM 820 CZ ARG A 56 -4.588 12.870 -14.004 1.00 0.00 C ATOM 821 NH1 ARG A 56 -5.353 13.939 -14.106 1.00 0.00 N ATOM 822 NH2 ARG A 56 -4.365 12.163 -15.091 1.00 0.00 N ATOM 0 H ARG A 56 -5.911 12.199 -7.514 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.139 11.260 -7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.678 13.698 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.935 13.555 -9.096 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.136 11.567 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.875 11.540 -10.331 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.136 13.671 -11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.408 13.958 -11.477 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.488 11.639 -12.865 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.546 14.508 -13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.751 14.197 -15.009 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.779 11.330 -15.046 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.779 12.448 -15.979 1.00 0.00 H new ATOM 836 N TRP A 57 -2.187 12.708 -6.171 1.00 0.00 N ATOM 837 CA TRP A 57 -1.551 13.482 -5.101 1.00 0.00 C ATOM 838 C TRP A 57 -0.170 13.988 -5.566 1.00 0.00 C ATOM 839 O TRP A 57 0.744 13.171 -5.721 1.00 0.00 O ATOM 840 CB TRP A 57 -1.423 12.616 -3.839 1.00 0.00 C ATOM 841 CG TRP A 57 -2.710 12.110 -3.267 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.617 12.846 -2.585 1.00 0.00 C ATOM 843 CD2 TRP A 57 -3.256 10.758 -3.325 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.666 12.037 -2.190 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.477 10.729 -2.587 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.832 9.550 -3.920 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -5.215 9.549 -2.409 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.580 8.368 -3.771 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.761 8.362 -3.010 1.00 0.00 C ATOM 0 H TRP A 57 -1.567 12.003 -6.571 1.00 0.00 H new ATOM 0 HA TRP A 57 -2.169 14.348 -4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.788 11.761 -4.070 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.909 13.196 -3.073 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.534 13.903 -2.380 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.479 12.366 -1.670 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.920 9.533 -4.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -6.119 9.553 -1.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.244 7.458 -4.245 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.320 7.446 -2.887 1.00 0.00 H new ATOM 860 N PRO A 58 0.012 15.304 -5.804 1.00 0.00 N ATOM 861 CA PRO A 58 1.308 15.854 -6.183 1.00 0.00 C ATOM 862 C PRO A 58 2.295 15.722 -5.027 1.00 0.00 C ATOM 863 O PRO A 58 1.944 15.915 -3.865 1.00 0.00 O ATOM 864 CB PRO A 58 1.050 17.314 -6.557 1.00 0.00 C ATOM 865 CG PRO A 58 -0.198 17.679 -5.759 1.00 0.00 C ATOM 866 CD PRO A 58 -0.984 16.367 -5.732 1.00 0.00 C ATOM 0 HA PRO A 58 1.754 15.321 -7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.895 17.950 -6.292 1.00 0.00 H new ATOM 0 HB3 PRO A 58 0.888 17.430 -7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.051 18.021 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.764 18.479 -6.237 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.577 16.286 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.678 16.310 -6.571 1.00 0.00 H new ATOM 874 N TYR A 59 3.555 15.425 -5.340 1.00 0.00 N ATOM 875 CA TYR A 59 4.594 15.217 -4.323 1.00 0.00 C ATOM 876 C TYR A 59 4.892 16.478 -3.494 1.00 0.00 C ATOM 877 O TYR A 59 5.411 16.385 -2.381 1.00 0.00 O ATOM 878 CB TYR A 59 5.854 14.686 -5.015 1.00 0.00 C ATOM 879 CG TYR A 59 5.725 13.332 -5.694 1.00 0.00 C ATOM 880 CD1 TYR A 59 4.926 12.307 -5.144 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.444 13.086 -6.878 1.00 0.00 C ATOM 882 CE1 TYR A 59 4.837 11.059 -5.777 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.354 11.837 -7.517 1.00 0.00 C ATOM 884 CZ TYR A 59 5.541 10.817 -6.972 1.00 0.00 C ATOM 885 OH TYR A 59 5.411 9.609 -7.584 1.00 0.00 O ATOM 0 H TYR A 59 3.887 15.321 -6.299 1.00 0.00 H new ATOM 0 HA TYR A 59 4.227 14.485 -3.603 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.168 15.415 -5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.651 14.624 -4.275 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.380 12.485 -4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.068 13.861 -7.298 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.226 10.280 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.907 11.656 -8.427 1.00 0.00 H new ATOM 0 HH TYR A 59 5.813 9.650 -8.477 1.00 0.00 H new ATOM 895 N LEU A 60 4.484 17.649 -3.998 1.00 0.00 N ATOM 896 CA LEU A 60 4.575 18.932 -3.305 1.00 0.00 C ATOM 897 C LEU A 60 3.497 19.138 -2.227 1.00 0.00 C ATOM 898 O LEU A 60 3.740 19.908 -1.297 1.00 0.00 O ATOM 899 CB LEU A 60 4.672 20.061 -4.348 1.00 0.00 C ATOM 900 CG LEU A 60 3.351 20.385 -5.069 1.00 0.00 C ATOM 901 CD1 LEU A 60 2.679 21.569 -4.376 1.00 0.00 C ATOM 902 CD2 LEU A 60 3.602 20.720 -6.544 1.00 0.00 C ATOM 0 H LEU A 60 4.070 17.728 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 60 5.491 18.947 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.032 20.964 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.419 19.786 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 60 2.701 19.511 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.743 21.803 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.475 21.314 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.339 22.436 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.654 20.945 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.261 21.586 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.070 19.867 -7.036 1.00 0.00 H new ATOM 914 N CYS A 61 2.355 18.431 -2.283 1.00 0.00 N ATOM 915 CA CYS A 61 1.377 18.434 -1.182 1.00 0.00 C ATOM 916 C CYS A 61 1.623 17.335 -0.131 1.00 0.00 C ATOM 917 O CYS A 61 0.973 17.347 0.915 1.00 0.00 O ATOM 918 CB CYS A 61 -0.051 18.395 -1.751 1.00 0.00 C ATOM 919 SG CYS A 61 -0.559 16.686 -2.106 1.00 0.00 S ATOM 0 H CYS A 61 2.087 17.851 -3.078 1.00 0.00 H new ATOM 0 HA CYS A 61 1.509 19.367 -0.634 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.743 18.844 -1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.100 18.990 -2.663 1.00 0.00 H new ATOM 0 HG CYS A 61 0.348 16.106 -2.835 1.00 0.00 H new ATOM 925 N LEU A 62 2.543 16.389 -0.373 1.00 0.00 N ATOM 926 CA LEU A 62 2.848 15.331 0.597 1.00 0.00 C ATOM 927 C LEU A 62 3.647 15.915 1.770 1.00 0.00 C ATOM 928 O LEU A 62 4.807 16.303 1.615 1.00 0.00 O ATOM 929 CB LEU A 62 3.577 14.145 -0.065 1.00 0.00 C ATOM 930 CG LEU A 62 2.761 13.352 -1.109 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.583 12.129 -1.542 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.396 12.878 -0.582 1.00 0.00 C ATOM 0 H LEU A 62 3.088 16.337 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 62 1.910 14.935 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.480 14.521 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.896 13.457 0.718 1.00 0.00 H new ATOM 0 HG LEU A 62 2.561 14.022 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.022 11.556 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.525 12.460 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.787 11.502 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.875 12.328 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.545 12.228 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.800 13.742 -0.287 1.00 0.00 H new ATOM 944 N ARG A 63 3.021 15.967 2.951 1.00 0.00 N ATOM 945 CA ARG A 63 3.623 16.511 4.176 1.00 0.00 C ATOM 946 C ARG A 63 4.689 15.569 4.755 1.00 0.00 C ATOM 947 O ARG A 63 5.671 16.040 5.333 1.00 0.00 O ATOM 948 CB ARG A 63 2.521 16.795 5.215 1.00 0.00 C ATOM 949 CG ARG A 63 1.479 17.843 4.773 1.00 0.00 C ATOM 950 CD ARG A 63 2.060 19.240 4.487 1.00 0.00 C ATOM 951 NE ARG A 63 2.704 19.836 5.676 1.00 0.00 N ATOM 952 CZ ARG A 63 2.109 20.495 6.665 1.00 0.00 C ATOM 953 NH1 ARG A 63 0.811 20.722 6.678 1.00 0.00 N ATOM 954 NH2 ARG A 63 2.823 20.946 7.673 1.00 0.00 N ATOM 0 H ARG A 63 2.069 15.628 3.086 1.00 0.00 H new ATOM 0 HA ARG A 63 4.126 17.444 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.005 15.862 5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.989 17.134 6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.977 17.482 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.719 17.931 5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.789 19.169 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.263 19.898 4.140 1.00 0.00 H new ATOM 0 HE ARG A 63 3.716 19.730 5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.227 20.388 5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.390 21.232 7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.831 20.790 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.369 21.452 8.433 1.00 0.00 H new ATOM 968 N ARG A 64 4.506 14.255 4.561 1.00 0.00 N ATOM 969 CA ARG A 64 5.385 13.148 4.973 1.00 0.00 C ATOM 970 C ARG A 64 4.853 11.811 4.439 1.00 0.00 C ATOM 971 O ARG A 64 3.689 11.700 4.043 1.00 0.00 O ATOM 972 CB ARG A 64 5.579 13.103 6.504 1.00 0.00 C ATOM 973 CG ARG A 64 4.270 12.989 7.298 1.00 0.00 C ATOM 974 CD ARG A 64 4.540 13.006 8.806 1.00 0.00 C ATOM 975 NE ARG A 64 3.272 13.128 9.533 1.00 0.00 N ATOM 976 CZ ARG A 64 3.080 13.388 10.813 1.00 0.00 C ATOM 977 NH1 ARG A 64 4.074 13.480 11.670 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.843 13.543 11.225 1.00 0.00 N ATOM 0 H ARG A 64 3.678 13.911 4.075 1.00 0.00 H new ATOM 0 HA ARG A 64 6.367 13.326 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.218 12.256 6.754 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.106 14.004 6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.607 13.813 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.755 12.067 7.027 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.055 12.092 9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.197 13.838 9.058 1.00 0.00 H new ATOM 0 HE ARG A 64 2.428 12.994 8.977 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.035 13.349 11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.884 13.683 12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.071 13.461 10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.654 13.745 12.207 1.00 0.00 H new ATOM 992 N TYR A 65 5.705 10.791 4.448 1.00 0.00 N ATOM 993 CA TYR A 65 5.422 9.453 3.920 1.00 0.00 C ATOM 994 C TYR A 65 6.260 8.385 4.634 1.00 0.00 C ATOM 995 O TYR A 65 7.286 8.691 5.242 1.00 0.00 O ATOM 996 CB TYR A 65 5.644 9.434 2.401 1.00 0.00 C ATOM 997 CG TYR A 65 7.054 9.785 1.954 1.00 0.00 C ATOM 998 CD1 TYR A 65 8.050 8.791 1.913 1.00 0.00 C ATOM 999 CD2 TYR A 65 7.362 11.098 1.548 1.00 0.00 C ATOM 1000 CE1 TYR A 65 9.348 9.098 1.462 1.00 0.00 C ATOM 1001 CE2 TYR A 65 8.660 11.416 1.107 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.658 10.416 1.061 1.00 0.00 C ATOM 1003 OH TYR A 65 10.914 10.721 0.628 1.00 0.00 O ATOM 0 H TYR A 65 6.645 10.872 4.836 1.00 0.00 H new ATOM 0 HA TYR A 65 4.377 9.212 4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.396 8.441 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.948 10.133 1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.817 7.785 2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.600 11.863 1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.104 8.328 1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.894 12.426 0.803 1.00 0.00 H new ATOM 0 HH TYR A 65 10.956 11.671 0.390 1.00 0.00 H new ATOM 1013 N GLY A 66 5.810 7.133 4.589 1.00 0.00 N ATOM 1014 CA GLY A 66 6.388 6.047 5.374 1.00 0.00 C ATOM 1015 C GLY A 66 5.910 4.665 4.962 1.00 0.00 C ATOM 1016 O GLY A 66 5.039 4.494 4.107 1.00 0.00 O ATOM 0 H GLY A 66 5.028 6.842 4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.474 6.086 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.148 6.205 6.426 1.00 0.00 H new ATOM 1020 N TYR A 67 6.487 3.663 5.612 1.00 0.00 N ATOM 1021 CA TYR A 67 6.164 2.260 5.373 1.00 0.00 C ATOM 1022 C TYR A 67 6.425 1.394 6.611 1.00 0.00 C ATOM 1023 O TYR A 67 7.229 1.731 7.484 1.00 0.00 O ATOM 1024 CB TYR A 67 6.910 1.753 4.127 1.00 0.00 C ATOM 1025 CG TYR A 67 8.353 1.337 4.351 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.321 2.284 4.738 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.727 -0.009 4.178 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.650 1.890 4.979 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.051 -0.414 4.432 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.018 0.534 4.832 1.00 0.00 C ATOM 1031 OH TYR A 67 12.304 0.140 5.061 1.00 0.00 O ATOM 0 H TYR A 67 7.200 3.801 6.328 1.00 0.00 H new ATOM 0 HA TYR A 67 5.095 2.178 5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.364 0.902 3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.890 2.536 3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.041 3.321 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.996 -0.733 3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.387 2.622 5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.328 -1.452 4.321 1.00 0.00 H new ATOM 0 HH TYR A 67 12.381 -0.826 4.915 1.00 0.00 H new ATOM 1041 N ASP A 68 5.722 0.273 6.676 1.00 0.00 N ATOM 1042 CA ASP A 68 5.804 -0.720 7.747 1.00 0.00 C ATOM 1043 C ASP A 68 5.671 -2.154 7.197 1.00 0.00 C ATOM 1044 O ASP A 68 5.655 -2.371 5.984 1.00 0.00 O ATOM 1045 CB ASP A 68 4.751 -0.400 8.828 1.00 0.00 C ATOM 1046 CG ASP A 68 5.316 -0.615 10.236 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.503 -1.795 10.620 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.589 0.393 10.930 1.00 0.00 O ATOM 0 H ASP A 68 5.049 0.016 5.954 1.00 0.00 H new ATOM 0 HA ASP A 68 6.789 -0.668 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.419 0.633 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.875 -1.033 8.685 1.00 0.00 H new ATOM 1053 N SER A 69 5.591 -3.147 8.082 1.00 0.00 N ATOM 1054 CA SER A 69 5.454 -4.562 7.708 1.00 0.00 C ATOM 1055 C SER A 69 4.176 -4.822 6.880 1.00 0.00 C ATOM 1056 O SER A 69 3.050 -4.795 7.385 1.00 0.00 O ATOM 1057 CB SER A 69 5.569 -5.480 8.941 1.00 0.00 C ATOM 1058 OG SER A 69 4.717 -5.128 10.028 1.00 0.00 O ATOM 0 H SER A 69 5.619 -2.994 9.090 1.00 0.00 H new ATOM 0 HA SER A 69 6.288 -4.813 7.053 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.344 -6.503 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.602 -5.470 9.289 1.00 0.00 H new ATOM 0 HG SER A 69 4.850 -5.759 10.766 1.00 0.00 H new ATOM 1064 N ASN A 70 4.359 -5.037 5.568 1.00 0.00 N ATOM 1065 CA ASN A 70 3.305 -5.212 4.555 1.00 0.00 C ATOM 1066 C ASN A 70 2.346 -3.998 4.423 1.00 0.00 C ATOM 1067 O ASN A 70 1.199 -4.159 3.990 1.00 0.00 O ATOM 1068 CB ASN A 70 2.561 -6.549 4.772 1.00 0.00 C ATOM 1069 CG ASN A 70 3.496 -7.755 4.819 1.00 0.00 C ATOM 1070 OD1 ASN A 70 4.386 -7.915 3.992 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.320 -8.644 5.779 1.00 0.00 N ATOM 0 H ASN A 70 5.294 -5.097 5.164 1.00 0.00 H new ATOM 0 HA ASN A 70 3.804 -5.258 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.998 -6.497 5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.837 -6.689 3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.925 -9.464 5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.579 -8.511 6.468 1.00 0.00 H new ATOM 1078 N LEU A 71 2.791 -2.788 4.793 1.00 0.00 N ATOM 1079 CA LEU A 71 1.959 -1.576 4.854 1.00 0.00 C ATOM 1080 C LEU A 71 2.697 -0.357 4.284 1.00 0.00 C ATOM 1081 O LEU A 71 3.852 -0.112 4.625 1.00 0.00 O ATOM 1082 CB LEU A 71 1.550 -1.332 6.324 1.00 0.00 C ATOM 1083 CG LEU A 71 0.310 -0.431 6.496 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -0.987 -1.177 6.138 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.216 0.062 7.948 1.00 0.00 C ATOM 0 H LEU A 71 3.760 -2.621 5.064 1.00 0.00 H new ATOM 0 HA LEU A 71 1.069 -1.722 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.355 -2.293 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.389 -0.880 6.852 1.00 0.00 H new ATOM 0 HG LEU A 71 0.423 0.414 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.839 -0.510 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.943 -1.506 5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.100 -2.044 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.662 0.697 8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.133 -0.794 8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.111 0.632 8.197 1.00 0.00 H new ATOM 1097 N PHE A 72 2.023 0.433 3.449 1.00 0.00 N ATOM 1098 CA PHE A 72 2.532 1.683 2.878 1.00 0.00 C ATOM 1099 C PHE A 72 1.574 2.827 3.219 1.00 0.00 C ATOM 1100 O PHE A 72 0.366 2.691 3.029 1.00 0.00 O ATOM 1101 CB PHE A 72 2.673 1.511 1.358 1.00 0.00 C ATOM 1102 CG PHE A 72 3.035 2.787 0.624 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.303 3.374 0.808 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.095 3.402 -0.224 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.623 4.578 0.157 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.419 4.599 -0.883 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.678 5.191 -0.686 1.00 0.00 C ATOM 0 H PHE A 72 1.076 0.215 3.140 1.00 0.00 H new ATOM 0 HA PHE A 72 3.509 1.924 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.436 0.759 1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.735 1.127 0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.030 2.898 1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.123 2.953 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.592 5.032 0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.700 5.065 -1.541 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.921 6.119 -1.183 1.00 0.00 H new ATOM 1117 N SER A 73 2.090 3.955 3.710 1.00 0.00 N ATOM 1118 CA SER A 73 1.243 5.101 4.099 1.00 0.00 C ATOM 1119 C SER A 73 1.858 6.483 3.811 1.00 0.00 C ATOM 1120 O SER A 73 3.076 6.671 3.839 1.00 0.00 O ATOM 1121 CB SER A 73 0.851 4.965 5.579 1.00 0.00 C ATOM 1122 OG SER A 73 -0.158 5.888 5.956 1.00 0.00 O ATOM 0 H SER A 73 3.089 4.107 3.850 1.00 0.00 H new ATOM 0 HA SER A 73 0.357 5.060 3.466 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.501 3.950 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.732 5.119 6.202 1.00 0.00 H new ATOM 0 HG SER A 73 -0.776 6.021 5.207 1.00 0.00 H new ATOM 1128 N PHE A 74 0.999 7.479 3.563 1.00 0.00 N ATOM 1129 CA PHE A 74 1.395 8.870 3.290 1.00 0.00 C ATOM 1130 C PHE A 74 0.342 9.893 3.747 1.00 0.00 C ATOM 1131 O PHE A 74 -0.842 9.575 3.869 1.00 0.00 O ATOM 1132 CB PHE A 74 1.756 9.040 1.804 1.00 0.00 C ATOM 1133 CG PHE A 74 0.639 8.689 0.841 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.325 9.651 0.475 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.551 7.382 0.327 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.374 9.301 -0.393 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.493 7.035 -0.545 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.459 7.992 -0.899 1.00 0.00 C ATOM 0 H PHE A 74 -0.011 7.340 3.546 1.00 0.00 H new ATOM 0 HA PHE A 74 2.283 9.079 3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.055 10.074 1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.621 8.416 1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.257 10.657 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.289 6.644 0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.114 10.037 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.554 6.033 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.268 7.722 -1.561 1.00 0.00 H new ATOM 1148 N GLU A 75 0.795 11.125 4.004 1.00 0.00 N ATOM 1149 CA GLU A 75 -0.013 12.237 4.516 1.00 0.00 C ATOM 1150 C GLU A 75 -0.101 13.354 3.466 1.00 0.00 C ATOM 1151 O GLU A 75 0.917 13.902 3.040 1.00 0.00 O ATOM 1152 CB GLU A 75 0.609 12.745 5.828 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.248 13.823 6.508 1.00 0.00 C ATOM 1154 CD GLU A 75 0.355 14.243 7.854 1.00 0.00 C ATOM 1155 OE1 GLU A 75 0.568 13.367 8.723 1.00 0.00 O ATOM 1156 OE2 GLU A 75 0.628 15.449 8.049 1.00 0.00 O ATOM 0 H GLU A 75 1.770 11.384 3.856 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.029 11.898 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.742 11.907 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.600 13.149 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.329 14.692 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.259 13.445 6.661 1.00 0.00 H new ATOM 1163 N SER A 76 -1.317 13.701 3.049 1.00 0.00 N ATOM 1164 CA SER A 76 -1.589 14.647 1.960 1.00 0.00 C ATOM 1165 C SER A 76 -2.154 15.989 2.460 1.00 0.00 C ATOM 1166 O SER A 76 -2.950 16.052 3.405 1.00 0.00 O ATOM 1167 CB SER A 76 -2.533 14.001 0.928 1.00 0.00 C ATOM 1168 OG SER A 76 -3.759 13.568 1.503 1.00 0.00 O ATOM 0 H SER A 76 -2.166 13.323 3.469 1.00 0.00 H new ATOM 0 HA SER A 76 -0.636 14.877 1.484 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.742 14.718 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.032 13.150 0.466 1.00 0.00 H new ATOM 0 HG SER A 76 -4.383 13.316 0.791 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.738 17.078 1.799 1.00 0.00 N ATOM 1175 CA GLY A 77 -2.150 18.454 2.079 1.00 0.00 C ATOM 1176 C GLY A 77 -3.627 18.716 1.777 1.00 0.00 C ATOM 1177 O GLY A 77 -4.263 17.998 1.003 1.00 0.00 O ATOM 0 H GLY A 77 -1.078 17.018 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.955 18.678 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.539 19.136 1.488 1.00 0.00 H new ATOM 1181 N ARG A 78 -4.172 19.788 2.364 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.597 20.141 2.257 1.00 0.00 C ATOM 1183 C ARG A 78 -6.065 20.494 0.829 1.00 0.00 C ATOM 1184 O ARG A 78 -7.265 20.448 0.556 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.942 21.237 3.287 1.00 0.00 C ATOM 1186 CG ARG A 78 -5.343 22.631 3.006 1.00 0.00 C ATOM 1187 CD ARG A 78 -6.303 23.596 2.291 1.00 0.00 C ATOM 1188 NE ARG A 78 -7.418 24.022 3.160 1.00 0.00 N ATOM 1189 CZ ARG A 78 -7.408 25.021 4.039 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -6.340 25.762 4.252 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -8.496 25.291 4.728 1.00 0.00 N ATOM 0 H ARG A 78 -3.634 20.442 2.932 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.165 19.242 2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.027 21.332 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.603 20.907 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.033 23.078 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.445 22.513 2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.750 24.474 1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.704 23.113 1.400 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.287 23.495 3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.481 25.579 3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.372 26.519 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.340 24.736 4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.495 26.055 5.403 1.00 0.00 H new ATOM 1205 N ARG A 79 -5.136 20.822 -0.083 1.00 0.00 N ATOM 1206 CA ARG A 79 -5.399 21.189 -1.484 1.00 0.00 C ATOM 1207 C ARG A 79 -5.169 19.993 -2.428 1.00 0.00 C ATOM 1208 O ARG A 79 -4.128 19.895 -3.083 1.00 0.00 O ATOM 1209 CB ARG A 79 -4.550 22.411 -1.893 1.00 0.00 C ATOM 1210 CG ARG A 79 -4.836 23.663 -1.047 1.00 0.00 C ATOM 1211 CD ARG A 79 -4.071 24.899 -1.549 1.00 0.00 C ATOM 1212 NE ARG A 79 -4.548 25.359 -2.867 1.00 0.00 N ATOM 1213 CZ ARG A 79 -5.595 26.142 -3.110 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -6.362 26.614 -2.147 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -5.890 26.466 -4.350 1.00 0.00 N ATOM 0 H ARG A 79 -4.142 20.840 0.144 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.449 21.468 -1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.494 22.156 -1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.737 22.640 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.906 23.871 -1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.563 23.467 -0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.177 25.707 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.008 24.664 -1.612 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.018 25.043 -3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.161 26.381 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.156 27.212 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.317 26.117 -5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.692 27.066 -4.543 1.00 0.00 H new ATOM 1229 N CYS A 80 -6.155 19.095 -2.509 1.00 0.00 N ATOM 1230 CA CYS A 80 -6.215 17.951 -3.439 1.00 0.00 C ATOM 1231 C CYS A 80 -7.641 17.366 -3.523 1.00 0.00 C ATOM 1232 O CYS A 80 -8.524 17.751 -2.753 1.00 0.00 O ATOM 1233 CB CYS A 80 -5.150 16.895 -3.067 1.00 0.00 C ATOM 1234 SG CYS A 80 -5.518 16.125 -1.466 1.00 0.00 S ATOM 0 H CYS A 80 -6.974 19.143 -1.902 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.977 18.304 -4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.109 16.129 -3.841 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -4.167 17.364 -3.030 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.045 16.867 -0.509 1.00 0.00 H new ATOM 1240 N GLN A 81 -7.866 16.433 -4.455 1.00 0.00 N ATOM 1241 CA GLN A 81 -9.186 15.861 -4.776 1.00 0.00 C ATOM 1242 C GLN A 81 -9.850 15.128 -3.591 1.00 0.00 C ATOM 1243 O GLN A 81 -11.081 15.072 -3.523 1.00 0.00 O ATOM 1244 CB GLN A 81 -9.009 14.930 -5.993 1.00 0.00 C ATOM 1245 CG GLN A 81 -10.320 14.382 -6.581 1.00 0.00 C ATOM 1246 CD GLN A 81 -10.067 13.584 -7.864 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -10.089 14.111 -8.971 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -9.796 12.297 -7.771 1.00 0.00 N ATOM 0 H GLN A 81 -7.116 16.042 -5.025 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.871 16.676 -5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.476 15.473 -6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.379 14.090 -5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.812 13.745 -5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.999 15.208 -6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.774 11.845 -6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.608 11.753 -8.613 1.00 0.00 H new ATOM 1257 N THR A 82 -9.055 14.606 -2.647 1.00 0.00 N ATOM 1258 CA THR A 82 -9.518 13.871 -1.456 1.00 0.00 C ATOM 1259 C THR A 82 -9.527 14.710 -0.175 1.00 0.00 C ATOM 1260 O THR A 82 -10.015 14.237 0.852 1.00 0.00 O ATOM 1261 CB THR A 82 -8.658 12.621 -1.245 1.00 0.00 C ATOM 1262 OG1 THR A 82 -7.295 12.985 -1.172 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.827 11.620 -2.386 1.00 0.00 C ATOM 0 H THR A 82 -8.039 14.685 -2.690 1.00 0.00 H new ATOM 0 HA THR A 82 -10.554 13.596 -1.654 1.00 0.00 H new ATOM 0 HB THR A 82 -8.985 12.154 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.931 12.715 -0.303 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.201 10.747 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.871 11.312 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.530 12.086 -3.326 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.990 15.934 -0.219 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.775 16.792 0.951 1.00 0.00 C ATOM 1273 C GLY A 83 -7.605 16.331 1.831 1.00 0.00 C ATOM 1274 O GLY A 83 -6.852 15.419 1.483 1.00 0.00 O ATOM 0 H GLY A 83 -8.685 16.366 -1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.589 17.813 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.685 16.814 1.550 1.00 0.00 H new ATOM 1278 N GLN A 84 -7.461 16.974 2.990 1.00 0.00 N ATOM 1279 CA GLN A 84 -6.457 16.621 3.999 1.00 0.00 C ATOM 1280 C GLN A 84 -6.732 15.208 4.549 1.00 0.00 C ATOM 1281 O GLN A 84 -7.869 14.890 4.911 1.00 0.00 O ATOM 1282 CB GLN A 84 -6.507 17.662 5.134 1.00 0.00 C ATOM 1283 CG GLN A 84 -5.399 17.498 6.189 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.247 18.488 6.032 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -4.283 19.610 6.522 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -3.173 18.125 5.364 1.00 0.00 N ATOM 0 H GLN A 84 -8.045 17.765 3.260 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.464 16.622 3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.436 18.660 4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.476 17.598 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.835 17.616 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.004 16.484 6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.121 17.195 4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.392 18.773 5.263 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.696 14.367 4.645 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.823 13.016 5.194 1.00 0.00 C ATOM 1297 C GLY A 85 -4.528 12.208 5.245 1.00 0.00 C ATOM 1298 O GLY A 85 -3.465 12.655 4.815 1.00 0.00 O ATOM 0 H GLY A 85 -4.750 14.604 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.227 13.088 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.552 12.466 4.598 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.651 10.991 5.775 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.608 9.956 5.812 1.00 0.00 C ATOM 1304 C ILE A 86 -4.213 8.685 5.212 1.00 0.00 C ATOM 1305 O ILE A 86 -5.235 8.201 5.708 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.108 9.716 7.257 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.460 10.986 7.854 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.111 8.538 7.292 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.174 10.893 9.359 1.00 0.00 C ATOM 0 H ILE A 86 -5.519 10.682 6.211 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.737 10.270 5.237 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.974 9.467 7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.526 11.186 7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.117 11.837 7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.768 8.382 8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.603 7.634 6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.257 8.765 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.720 11.823 9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.107 10.725 9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.492 10.065 9.549 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.589 8.159 4.158 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.078 7.009 3.399 1.00 0.00 C ATOM 1323 C PHE A 87 -3.077 5.856 3.483 1.00 0.00 C ATOM 1324 O PHE A 87 -1.901 6.025 3.152 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.327 7.424 1.942 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.383 8.499 1.783 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.736 8.182 1.999 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -5.018 9.815 1.437 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.723 9.173 1.866 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -6.004 10.809 1.321 1.00 0.00 C ATOM 1331 CZ PHE A 87 -7.355 10.490 1.542 1.00 0.00 C ATOM 0 H PHE A 87 -2.709 8.530 3.800 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.020 6.664 3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.392 7.780 1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.627 6.546 1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.017 7.174 2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.981 10.060 1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.763 8.923 2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.724 11.819 1.062 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.111 11.258 1.463 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.561 4.684 3.909 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.748 3.493 4.132 1.00 0.00 C ATOM 1343 C ALA A 88 -3.258 2.290 3.330 1.00 0.00 C ATOM 1344 O ALA A 88 -4.465 2.015 3.255 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.689 3.198 5.631 1.00 0.00 C ATOM 0 H ALA A 88 -4.550 4.539 4.111 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.738 3.685 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.083 2.309 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.245 4.046 6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.697 3.028 6.008 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.299 1.577 2.740 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.526 0.477 1.809 1.00 0.00 C ATOM 1353 C PHE A 89 -1.738 -0.770 2.218 1.00 0.00 C ATOM 1354 O PHE A 89 -0.576 -0.694 2.618 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.179 0.910 0.376 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.901 2.160 -0.098 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.415 3.437 0.252 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.076 2.051 -0.862 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.122 4.589 -0.129 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.779 3.208 -1.246 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.306 4.477 -0.875 1.00 0.00 C ATOM 0 H PHE A 89 -1.309 1.757 2.904 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.584 0.216 1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.104 1.080 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.413 0.091 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.497 3.529 0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.440 1.077 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.754 5.564 0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.685 3.120 -1.828 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.851 5.364 -1.163 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.388 -1.927 2.105 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.876 -3.236 2.502 1.00 0.00 C ATOM 1373 C LYS A 90 -1.294 -3.959 1.277 1.00 0.00 C ATOM 1374 O LYS A 90 -2.014 -4.227 0.309 1.00 0.00 O ATOM 1375 CB LYS A 90 -3.042 -3.997 3.158 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.585 -5.129 4.088 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.814 -5.800 4.720 1.00 0.00 C ATOM 1378 CE LYS A 90 -3.417 -6.721 5.879 1.00 0.00 C ATOM 1379 NZ LYS A 90 -4.616 -7.331 6.518 1.00 0.00 N ATOM 0 H LYS A 90 -3.330 -1.979 1.716 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.060 -3.159 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.651 -3.294 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.679 -4.413 2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.005 -5.862 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.933 -4.734 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.502 -5.035 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.346 -6.375 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.757 -7.508 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.855 -6.154 6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.317 -7.949 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.232 -6.579 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.138 -7.891 5.814 1.00 0.00 H new ATOM 1393 N CYS A 91 0.008 -4.249 1.307 1.00 0.00 N ATOM 1394 CA CYS A 91 0.780 -4.804 0.189 1.00 0.00 C ATOM 1395 C CYS A 91 2.180 -5.248 0.650 1.00 0.00 C ATOM 1396 O CYS A 91 2.896 -4.496 1.308 1.00 0.00 O ATOM 1397 CB CYS A 91 0.841 -3.782 -0.971 1.00 0.00 C ATOM 1398 SG CYS A 91 1.436 -2.155 -0.411 1.00 0.00 S ATOM 0 H CYS A 91 0.577 -4.099 2.140 1.00 0.00 H new ATOM 0 HA CYS A 91 0.277 -5.697 -0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.499 -4.160 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -0.150 -3.674 -1.412 1.00 0.00 H new ATOM 0 HG CYS A 91 1.471 -1.335 -1.419 1.00 0.00 H new ATOM 1404 N SER A 92 2.605 -6.455 0.284 1.00 0.00 N ATOM 1405 CA SER A 92 3.914 -7.010 0.677 1.00 0.00 C ATOM 1406 C SER A 92 5.115 -6.284 0.044 1.00 0.00 C ATOM 1407 O SER A 92 6.213 -6.298 0.608 1.00 0.00 O ATOM 1408 CB SER A 92 3.952 -8.509 0.345 1.00 0.00 C ATOM 1409 OG SER A 92 3.621 -8.738 -1.021 1.00 0.00 O ATOM 0 H SER A 92 2.053 -7.086 -0.297 1.00 0.00 H new ATOM 0 HA SER A 92 4.013 -6.856 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.945 -8.906 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.253 -9.045 0.987 1.00 0.00 H new ATOM 0 HG SER A 92 3.654 -9.699 -1.209 1.00 0.00 H new ATOM 1415 N ARG A 93 4.892 -5.582 -1.077 1.00 0.00 N ATOM 1416 CA ARG A 93 5.873 -4.742 -1.786 1.00 0.00 C ATOM 1417 C ARG A 93 5.815 -3.250 -1.388 1.00 0.00 C ATOM 1418 O ARG A 93 6.267 -2.373 -2.127 1.00 0.00 O ATOM 1419 CB ARG A 93 5.840 -5.007 -3.308 1.00 0.00 C ATOM 1420 CG ARG A 93 4.453 -5.086 -3.959 1.00 0.00 C ATOM 1421 CD ARG A 93 4.598 -5.592 -5.402 1.00 0.00 C ATOM 1422 NE ARG A 93 3.288 -5.632 -6.062 1.00 0.00 N ATOM 1423 CZ ARG A 93 3.021 -6.135 -7.261 1.00 0.00 C ATOM 1424 NH1 ARG A 93 3.965 -6.527 -8.088 1.00 0.00 N ATOM 1425 NH2 ARG A 93 1.770 -6.265 -7.645 1.00 0.00 N ATOM 0 H ARG A 93 3.981 -5.583 -1.536 1.00 0.00 H new ATOM 0 HA ARG A 93 6.864 -5.048 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.405 -4.218 -3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.362 -5.944 -3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.809 -5.756 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.979 -4.105 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.273 -4.940 -5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.044 -6.587 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 93 2.503 -5.233 -5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.945 -6.450 -7.817 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.717 -6.908 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.013 -5.980 -7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.556 -6.651 -8.565 1.00 0.00 H new ATOM 1439 N ALA A 94 5.286 -2.942 -0.198 1.00 0.00 N ATOM 1440 CA ALA A 94 5.279 -1.597 0.392 1.00 0.00 C ATOM 1441 C ALA A 94 6.674 -0.948 0.497 1.00 0.00 C ATOM 1442 O ALA A 94 6.788 0.272 0.373 1.00 0.00 O ATOM 1443 CB ALA A 94 4.656 -1.706 1.789 1.00 0.00 C ATOM 0 H ALA A 94 4.839 -3.639 0.397 1.00 0.00 H new ATOM 0 HA ALA A 94 4.703 -0.949 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.636 -0.721 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.639 -2.089 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.250 -2.385 2.400 1.00 0.00 H new ATOM 1449 N GLU A 95 7.729 -1.750 0.690 1.00 0.00 N ATOM 1450 CA GLU A 95 9.110 -1.269 0.786 1.00 0.00 C ATOM 1451 C GLU A 95 9.594 -0.730 -0.565 1.00 0.00 C ATOM 1452 O GLU A 95 10.235 0.318 -0.618 1.00 0.00 O ATOM 1453 CB GLU A 95 10.003 -2.408 1.310 1.00 0.00 C ATOM 1454 CG GLU A 95 11.474 -1.999 1.479 1.00 0.00 C ATOM 1455 CD GLU A 95 12.321 -3.119 2.111 1.00 0.00 C ATOM 1456 OE1 GLU A 95 11.958 -3.635 3.194 1.00 0.00 O ATOM 1457 OE2 GLU A 95 13.379 -3.474 1.539 1.00 0.00 O ATOM 0 H GLU A 95 7.645 -2.762 0.785 1.00 0.00 H new ATOM 0 HA GLU A 95 9.164 -0.438 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.616 -2.751 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.945 -3.252 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.890 -1.736 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.532 -1.107 2.102 1.00 0.00 H new ATOM 1464 N GLU A 96 9.252 -1.398 -1.665 1.00 0.00 N ATOM 1465 CA GLU A 96 9.609 -0.990 -3.017 1.00 0.00 C ATOM 1466 C GLU A 96 8.859 0.283 -3.443 1.00 0.00 C ATOM 1467 O GLU A 96 9.454 1.141 -4.096 1.00 0.00 O ATOM 1468 CB GLU A 96 9.306 -2.138 -3.994 1.00 0.00 C ATOM 1469 CG GLU A 96 10.235 -3.357 -3.869 1.00 0.00 C ATOM 1470 CD GLU A 96 10.190 -4.112 -2.528 1.00 0.00 C ATOM 1471 OE1 GLU A 96 9.116 -4.169 -1.887 1.00 0.00 O ATOM 1472 OE2 GLU A 96 11.237 -4.669 -2.123 1.00 0.00 O ATOM 0 H GLU A 96 8.706 -2.259 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 96 10.675 -0.762 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.278 -2.466 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.368 -1.755 -5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.988 -4.059 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.259 -3.026 -4.042 1.00 0.00 H new ATOM 1479 N ILE A 97 7.592 0.455 -3.034 1.00 0.00 N ATOM 1480 CA ILE A 97 6.843 1.709 -3.261 1.00 0.00 C ATOM 1481 C ILE A 97 7.502 2.866 -2.498 1.00 0.00 C ATOM 1482 O ILE A 97 7.727 3.927 -3.083 1.00 0.00 O ATOM 1483 CB ILE A 97 5.344 1.588 -2.882 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.644 0.421 -3.613 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.617 2.909 -3.221 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.238 0.109 -3.078 1.00 0.00 C ATOM 0 H ILE A 97 7.059 -0.261 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 97 6.879 1.915 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 97 5.295 1.386 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.574 0.659 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.262 -0.473 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.564 2.823 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.068 3.727 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.706 3.110 -4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.811 -0.721 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.301 -0.161 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.603 0.988 -3.190 1.00 0.00 H new ATOM 1498 N PHE A 98 7.864 2.664 -1.224 1.00 0.00 N ATOM 1499 CA PHE A 98 8.560 3.673 -0.428 1.00 0.00 C ATOM 1500 C PHE A 98 9.922 4.048 -1.031 1.00 0.00 C ATOM 1501 O PHE A 98 10.222 5.236 -1.161 1.00 0.00 O ATOM 1502 CB PHE A 98 8.692 3.146 1.003 1.00 0.00 C ATOM 1503 CG PHE A 98 9.511 4.034 1.917 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.898 5.086 2.622 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.892 3.801 2.064 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.664 5.895 3.481 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.656 4.615 2.917 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.042 5.658 3.630 1.00 0.00 C ATOM 0 H PHE A 98 7.681 1.796 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 98 7.980 4.596 -0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.695 3.027 1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.147 2.156 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.841 5.272 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.364 2.996 1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.193 6.699 4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.716 4.439 3.025 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.628 6.278 4.292 1.00 0.00 H new ATOM 1518 N ASN A 99 10.720 3.059 -1.451 1.00 0.00 N ATOM 1519 CA ASN A 99 12.007 3.284 -2.115 1.00 0.00 C ATOM 1520 C ASN A 99 11.853 4.071 -3.425 1.00 0.00 C ATOM 1521 O ASN A 99 12.611 5.013 -3.662 1.00 0.00 O ATOM 1522 CB ASN A 99 12.725 1.952 -2.371 1.00 0.00 C ATOM 1523 CG ASN A 99 13.552 1.521 -1.168 1.00 0.00 C ATOM 1524 OD1 ASN A 99 14.689 1.943 -0.991 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.010 0.678 -0.313 1.00 0.00 N ATOM 0 H ASN A 99 10.488 2.072 -1.338 1.00 0.00 H new ATOM 0 HA ASN A 99 12.614 3.889 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.991 1.181 -2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.372 2.049 -3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.537 0.371 0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.063 0.332 -0.468 1.00 0.00 H new ATOM 1532 N LEU A 100 10.850 3.737 -4.245 1.00 0.00 N ATOM 1533 CA LEU A 100 10.533 4.470 -5.469 1.00 0.00 C ATOM 1534 C LEU A 100 10.119 5.915 -5.162 1.00 0.00 C ATOM 1535 O LEU A 100 10.629 6.837 -5.795 1.00 0.00 O ATOM 1536 CB LEU A 100 9.446 3.687 -6.227 1.00 0.00 C ATOM 1537 CG LEU A 100 8.994 4.324 -7.554 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.143 4.453 -8.566 1.00 0.00 C ATOM 1539 CD2 LEU A 100 7.876 3.465 -8.149 1.00 0.00 C ATOM 0 H LEU A 100 10.232 2.944 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 100 11.416 4.550 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.818 2.683 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.577 3.579 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 100 8.642 5.334 -7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.770 4.908 -9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.930 5.078 -8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.545 3.464 -8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.543 3.902 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.248 2.456 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.039 3.424 -7.452 1.00 0.00 H new ATOM 1551 N LEU A 101 9.264 6.134 -4.157 1.00 0.00 N ATOM 1552 CA LEU A 101 8.805 7.468 -3.767 1.00 0.00 C ATOM 1553 C LEU A 101 9.964 8.385 -3.357 1.00 0.00 C ATOM 1554 O LEU A 101 10.062 9.502 -3.866 1.00 0.00 O ATOM 1555 CB LEU A 101 7.758 7.322 -2.648 1.00 0.00 C ATOM 1556 CG LEU A 101 7.078 8.651 -2.264 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.214 9.208 -3.401 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.195 8.423 -1.037 1.00 0.00 C ATOM 0 H LEU A 101 8.870 5.384 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 101 8.344 7.951 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.995 6.611 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.238 6.900 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 101 7.863 9.377 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.755 10.145 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.837 9.387 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.434 8.489 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.710 9.359 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.436 7.676 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.809 8.072 -0.207 1.00 0.00 H new ATOM 1570 N GLN A 102 10.865 7.921 -2.484 1.00 0.00 N ATOM 1571 CA GLN A 102 12.006 8.733 -2.059 1.00 0.00 C ATOM 1572 C GLN A 102 13.033 8.959 -3.174 1.00 0.00 C ATOM 1573 O GLN A 102 13.669 10.009 -3.196 1.00 0.00 O ATOM 1574 CB GLN A 102 12.660 8.161 -0.794 1.00 0.00 C ATOM 1575 CG GLN A 102 13.286 6.767 -0.943 1.00 0.00 C ATOM 1576 CD GLN A 102 13.934 6.239 0.341 1.00 0.00 C ATOM 1577 OE1 GLN A 102 13.829 6.805 1.421 1.00 0.00 O ATOM 1578 NE2 GLN A 102 14.646 5.132 0.276 1.00 0.00 N ATOM 0 H GLN A 102 10.825 6.993 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 102 11.607 9.717 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.434 8.853 -0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.909 8.120 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.516 6.066 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.038 6.799 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.748 4.643 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.095 4.765 1.115 1.00 0.00 H new ATOM 1587 N ASP A 103 13.189 8.030 -4.122 1.00 0.00 N ATOM 1588 CA ASP A 103 14.059 8.214 -5.295 1.00 0.00 C ATOM 1589 C ASP A 103 13.601 9.397 -6.162 1.00 0.00 C ATOM 1590 O ASP A 103 14.405 10.228 -6.590 1.00 0.00 O ATOM 1591 CB ASP A 103 14.052 6.948 -6.169 1.00 0.00 C ATOM 1592 CG ASP A 103 15.206 6.954 -7.184 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.374 6.773 -6.764 1.00 0.00 O ATOM 1594 OD2 ASP A 103 14.941 7.121 -8.399 1.00 0.00 O ATOM 0 H ASP A 103 12.716 7.126 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 103 15.062 8.414 -4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 103 14.131 6.066 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.102 6.876 -6.698 1.00 0.00 H new ATOM 1599 N LEU A 104 12.288 9.476 -6.382 1.00 0.00 N ATOM 1600 CA LEU A 104 11.638 10.477 -7.222 1.00 0.00 C ATOM 1601 C LEU A 104 11.559 11.848 -6.533 1.00 0.00 C ATOM 1602 O LEU A 104 11.536 12.873 -7.217 1.00 0.00 O ATOM 1603 CB LEU A 104 10.243 9.939 -7.591 1.00 0.00 C ATOM 1604 CG LEU A 104 10.278 8.645 -8.437 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.886 8.002 -8.418 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.689 8.929 -9.889 1.00 0.00 C ATOM 0 H LEU A 104 11.627 8.821 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 104 12.227 10.641 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.683 9.749 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.701 10.708 -8.142 1.00 0.00 H new ATOM 0 HG LEU A 104 11.019 7.972 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.899 7.088 -9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.609 7.763 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.158 8.697 -8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.702 7.996 -10.452 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.974 9.616 -10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.683 9.377 -9.905 1.00 0.00 H new ATOM 1618 N MET A 105 11.571 11.879 -5.194 1.00 0.00 N ATOM 1619 CA MET A 105 11.492 13.109 -4.391 1.00 0.00 C ATOM 1620 C MET A 105 12.857 13.646 -3.925 1.00 0.00 C ATOM 1621 O MET A 105 12.956 14.839 -3.640 1.00 0.00 O ATOM 1622 CB MET A 105 10.527 12.902 -3.211 1.00 0.00 C ATOM 1623 CG MET A 105 9.085 12.710 -3.706 1.00 0.00 C ATOM 1624 SD MET A 105 7.840 12.428 -2.418 1.00 0.00 S ATOM 1625 CE MET A 105 7.831 14.051 -1.622 1.00 0.00 C ATOM 0 H MET A 105 11.637 11.034 -4.626 1.00 0.00 H new ATOM 0 HA MET A 105 11.100 13.887 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.836 12.031 -2.633 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.574 13.762 -2.543 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.796 13.592 -4.277 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.066 11.865 -4.394 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.869 14.212 -1.136 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.626 14.096 -0.878 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.993 14.825 -2.372 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.173 5.276 3.098 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.276 5.511 4.539 1.00 0.00 C ATOM 2021 C PHE A 136 -9.178 6.472 5.028 1.00 0.00 C ATOM 2022 O PHE A 136 -7.987 6.196 4.867 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.241 4.167 5.282 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.690 4.266 6.730 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -9.802 4.717 7.727 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.012 3.926 7.079 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.234 4.825 9.061 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.440 4.027 8.414 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.552 4.478 9.405 1.00 0.00 C ATOM 0 HA PHE A 136 -11.228 5.996 4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -10.879 3.455 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.227 3.769 5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.788 4.980 7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.699 3.587 6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.552 5.175 9.822 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.452 3.758 8.678 1.00 0.00 H new ATOM 0 HZ PHE A 136 -11.882 4.558 10.430 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.588 7.588 5.646 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.707 8.620 6.207 1.00 0.00 C ATOM 2041 C ARG A 137 -8.358 8.303 7.669 1.00 0.00 C ATOM 2042 O ARG A 137 -9.193 8.468 8.564 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.403 9.989 6.080 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.427 10.476 4.622 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.482 11.562 4.373 1.00 0.00 C ATOM 2046 NE ARG A 137 -11.837 10.985 4.244 1.00 0.00 N ATOM 2047 CZ ARG A 137 -12.340 10.376 3.172 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -11.689 10.310 2.030 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -13.525 9.808 3.230 1.00 0.00 N ATOM 0 H ARG A 137 -10.577 7.804 5.773 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.769 8.644 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.423 9.916 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.885 10.720 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.443 10.864 4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -9.622 9.629 3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.468 12.279 5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.232 12.112 3.466 1.00 0.00 H new ATOM 0 HE ARG A 137 -12.448 11.061 5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -10.765 10.734 1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.108 9.834 1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.061 9.833 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -13.908 9.342 2.407 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.122 7.868 7.925 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.625 7.593 9.281 1.00 0.00 C ATOM 2065 C LEU A 138 -6.420 8.897 10.071 1.00 0.00 C ATOM 2066 O LEU A 138 -5.998 9.913 9.516 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.314 6.786 9.215 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.425 5.370 8.616 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.020 4.765 8.557 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.322 4.443 9.447 1.00 0.00 C ATOM 0 H LEU A 138 -6.431 7.695 7.195 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.375 7.000 9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.591 7.352 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.910 6.702 10.224 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.874 5.460 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.074 3.761 8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.382 5.388 7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.603 4.715 9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.363 3.460 8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -5.914 4.348 10.453 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.327 4.862 9.501 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.714 8.856 11.377 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.587 10.000 12.293 1.00 0.00 C ATOM 2084 C ARG A 139 -5.135 10.265 12.725 1.00 0.00 C ATOM 2085 O ARG A 139 -4.756 11.413 12.956 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.467 9.759 13.529 1.00 0.00 C ATOM 2087 CG ARG A 139 -8.954 10.041 13.274 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.716 9.047 12.384 1.00 0.00 C ATOM 2089 NE ARG A 139 -11.131 9.455 12.283 1.00 0.00 N ATOM 2090 CZ ARG A 139 -11.752 9.960 11.222 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.234 9.944 10.011 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -12.939 10.508 11.375 1.00 0.00 N ATOM 0 H ARG A 139 -7.053 8.011 11.837 1.00 0.00 H new ATOM 0 HA ARG A 139 -6.919 10.888 11.754 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.350 8.725 13.855 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.118 10.392 14.345 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.459 10.086 14.239 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.038 11.030 12.824 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.266 9.013 11.392 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.646 8.042 12.801 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.697 9.336 13.123 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.315 9.530 9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.752 10.345 9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.370 10.541 12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -13.428 10.900 10.570 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.324 9.209 12.788 1.00 0.00 N ATOM 2107 CA HIS A 140 -2.891 9.228 13.118 1.00 0.00 C ATOM 2108 C HIS A 140 -2.068 8.383 12.123 1.00 0.00 C ATOM 2109 O HIS A 140 -2.594 7.475 11.474 1.00 0.00 O ATOM 2110 CB HIS A 140 -2.692 8.723 14.558 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.249 9.632 15.622 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.994 11.002 15.733 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.016 9.239 16.678 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.633 11.400 16.845 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.248 10.362 17.438 1.00 0.00 N ATOM 0 H HIS A 140 -4.663 8.265 12.601 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.531 10.254 13.041 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -3.160 7.743 14.654 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -1.626 8.586 14.737 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -4.373 8.240 16.879 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.650 12.415 17.213 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -4.791 10.400 18.300 1.00 0.00 H new ATOM 2123 N PHE A 141 -0.772 8.685 11.997 1.00 0.00 N ATOM 2124 CA PHE A 141 0.113 8.043 11.021 1.00 0.00 C ATOM 2125 C PHE A 141 0.514 6.616 11.474 1.00 0.00 C ATOM 2126 O PHE A 141 1.027 6.474 12.589 1.00 0.00 O ATOM 2127 CB PHE A 141 1.322 8.957 10.780 1.00 0.00 C ATOM 2128 CG PHE A 141 2.050 8.625 9.497 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.495 9.018 8.264 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.259 7.910 9.525 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.134 8.673 7.064 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.907 7.579 8.322 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.336 7.948 7.093 1.00 0.00 C ATOM 0 H PHE A 141 -0.305 9.386 12.573 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.410 7.910 10.074 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.989 9.994 10.747 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.012 8.870 11.619 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.576 9.586 8.242 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.690 7.615 10.470 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.702 8.965 6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.843 7.041 8.343 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.822 7.674 6.169 1.00 0.00 H new ATOM 2143 N PRO A 142 0.282 5.561 10.659 1.00 0.00 N ATOM 2144 CA PRO A 142 0.418 4.167 11.095 1.00 0.00 C ATOM 2145 C PRO A 142 1.825 3.571 10.929 1.00 0.00 C ATOM 2146 O PRO A 142 2.131 2.575 11.583 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.581 3.398 10.225 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.499 4.149 8.898 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.358 5.603 9.348 1.00 0.00 C ATOM 0 HA PRO A 142 0.230 4.100 12.167 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.304 2.349 10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.587 3.420 10.644 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.353 3.825 8.300 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.391 3.997 8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.242 6.174 8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.332 6.089 9.405 1.00 0.00 H new ATOM 2157 N CYS A 143 2.676 4.144 10.066 1.00 0.00 N ATOM 2158 CA CYS A 143 3.988 3.583 9.720 1.00 0.00 C ATOM 2159 C CYS A 143 5.109 4.215 10.559 1.00 0.00 C ATOM 2160 O CYS A 143 5.202 5.441 10.652 1.00 0.00 O ATOM 2161 CB CYS A 143 4.227 3.793 8.217 1.00 0.00 C ATOM 2162 SG CYS A 143 3.095 2.761 7.243 1.00 0.00 S ATOM 0 H CYS A 143 2.470 5.019 9.584 1.00 0.00 H new ATOM 0 HA CYS A 143 3.998 2.517 9.945 1.00 0.00 H new ATOM 0 HB2 CYS A 143 4.081 4.843 7.963 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.259 3.545 7.969 1.00 0.00 H new ATOM 0 HG CYS A 143 3.161 3.106 5.991 1.00 0.00 H new ATOM 2168 N GLY A 144 5.993 3.393 11.139 1.00 0.00 N ATOM 2169 CA GLY A 144 7.101 3.868 11.983 1.00 0.00 C ATOM 2170 C GLY A 144 8.215 4.560 11.193 1.00 0.00 C ATOM 2171 O GLY A 144 8.796 5.540 11.662 1.00 0.00 O ATOM 0 H GLY A 144 5.962 2.379 11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.709 4.561 12.727 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.523 3.022 12.526 1.00 0.00 H new ATOM 2175 N ASN A 145 8.501 4.094 9.974 1.00 0.00 N ATOM 2176 CA ASN A 145 9.598 4.599 9.140 1.00 0.00 C ATOM 2177 C ASN A 145 9.207 5.875 8.367 1.00 0.00 C ATOM 2178 O ASN A 145 9.148 5.889 7.136 1.00 0.00 O ATOM 2179 CB ASN A 145 10.095 3.502 8.197 1.00 0.00 C ATOM 2180 CG ASN A 145 10.537 2.238 8.925 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.561 2.209 9.598 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.773 1.165 8.821 1.00 0.00 N ATOM 0 H ASN A 145 7.970 3.344 9.531 1.00 0.00 H new ATOM 0 HA ASN A 145 10.415 4.882 9.804 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.301 3.250 7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.930 3.887 7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 145 10.034 0.305 9.303 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.922 1.197 8.259 1.00 0.00 H new ATOM 2189 N VAL A 146 8.923 6.947 9.101 1.00 0.00 N ATOM 2190 CA VAL A 146 8.627 8.280 8.542 1.00 0.00 C ATOM 2191 C VAL A 146 9.873 8.855 7.862 1.00 0.00 C ATOM 2192 O VAL A 146 10.967 8.849 8.425 1.00 0.00 O ATOM 2193 CB VAL A 146 8.085 9.268 9.604 1.00 0.00 C ATOM 2194 CG1 VAL A 146 8.008 10.723 9.106 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.668 8.861 10.019 1.00 0.00 C ATOM 0 H VAL A 146 8.889 6.922 10.120 1.00 0.00 H new ATOM 0 HA VAL A 146 7.836 8.149 7.803 1.00 0.00 H new ATOM 0 HB VAL A 146 8.789 9.222 10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.620 11.360 9.901 1.00 0.00 H new ATOM 0 HG12 VAL A 146 9.004 11.063 8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.346 10.777 8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.293 9.560 10.766 1.00 0.00 H new ATOM 0 HG22 VAL A 146 6.015 8.877 9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.687 7.856 10.440 1.00 0.00 H new ATOM 2205 N ASN A 147 9.666 9.395 6.663 1.00 0.00 N ATOM 2206 CA ASN A 147 10.629 10.170 5.891 1.00 0.00 C ATOM 2207 C ASN A 147 9.937 11.410 5.290 1.00 0.00 C ATOM 2208 O ASN A 147 8.738 11.406 4.994 1.00 0.00 O ATOM 2209 CB ASN A 147 11.268 9.262 4.827 1.00 0.00 C ATOM 2210 CG ASN A 147 12.475 9.885 4.124 1.00 0.00 C ATOM 2211 OD1 ASN A 147 13.054 10.871 4.568 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.913 9.313 3.018 1.00 0.00 N ATOM 0 H ASN A 147 8.773 9.297 6.180 1.00 0.00 H new ATOM 0 HA ASN A 147 11.432 10.538 6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.576 8.328 5.298 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.516 9.009 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.729 9.691 2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.435 8.493 2.644 1.00 0.00 H new ATOM 2219 N TYR A 148 10.691 12.498 5.161 1.00 0.00 N ATOM 2220 CA TYR A 148 10.194 13.815 4.761 1.00 0.00 C ATOM 2221 C TYR A 148 10.482 14.097 3.277 1.00 0.00 C ATOM 2222 O TYR A 148 11.481 13.633 2.720 1.00 0.00 O ATOM 2223 CB TYR A 148 10.794 14.880 5.692 1.00 0.00 C ATOM 2224 CG TYR A 148 10.629 14.557 7.170 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.340 14.442 7.730 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.761 14.294 7.969 1.00 0.00 C ATOM 2227 CE1 TYR A 148 9.178 14.055 9.074 1.00 0.00 C ATOM 2228 CE2 TYR A 148 11.605 13.912 9.315 1.00 0.00 C ATOM 2229 CZ TYR A 148 10.314 13.790 9.874 1.00 0.00 C ATOM 2230 OH TYR A 148 10.162 13.408 11.174 1.00 0.00 O ATOM 0 H TYR A 148 11.696 12.489 5.337 1.00 0.00 H new ATOM 0 HA TYR A 148 9.109 13.843 4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.855 14.990 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 148 10.323 15.841 5.483 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.471 14.652 7.124 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.751 14.386 7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 148 8.187 13.961 9.494 1.00 0.00 H new ATOM 0 HE2 TYR A 148 12.476 13.712 9.922 1.00 0.00 H new ATOM 0 HH TYR A 148 11.043 13.265 11.578 1.00 0.00 H new