USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 791 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 70 TYR OH : rot -99:sc= 0.229 USER MOD Set 1.2: A 124 ASN : amide:sc= -0.224 X(o=0.0052,f=-0.48) USER MOD Set 2.1: A 101 MET CE :methyl 140:sc= -0.843 (180deg=-3.38) USER MOD Set 2.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 126 ASN : amide:sc= -0.172 K(o=-1,f=-10!) USER MOD Set 3.1: A 22 MET CE :methyl 143:sc= -2.75 (180deg=-3.86!) USER MOD Set 3.2: A 71 THR OG1 : rot 122:sc= 1.96 USER MOD Set 3.3: A 75 LYS NZ :NH3+ -112:sc= -0.523! (180deg=-1.02!) USER MOD Set 4.1: A 58 SER OG : rot 180:sc=-0.00037 USER MOD Set 4.2: A 62 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.7!) USER MOD Single : A 25 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.57) USER MOD Single : A 29 SER OG : rot 100:sc= 0.604 USER MOD Single : A 33 ASN : amide:sc= -0.138 K(o=-0.14,f=-3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -81:sc= 1.17 USER MOD Single : A 37 SER OG : rot -43:sc= 0.51 USER MOD Single : A 38 CYS SG : rot -85:sc= -1.77! USER MOD Single : A 39 ASN : amide:sc= -0.0885 K(o=-0.089,f=-0.59) USER MOD Single : A 41 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -0.019 (180deg=-0.146) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 69 GLN : amide:sc= -0.739 K(o=-0.74,f=-0.0086) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= 0.0364 (180deg=-0.885!) USER MOD Single : A 80 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.623 K(o=-0.62,f=-6.1!) USER MOD Single : A 85 GLN : amide:sc= -0.911 K(o=-0.91,f=-0.005) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.29) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 102:sc= 0.53 USER MOD Single : A 104 ASN : amide:sc= -0.86 K(o=-0.86,f=-1.4) USER MOD Single : A 106 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0699) USER MOD Single : A 107 LYS NZ :NH3+ 171:sc=-0.00997 (180deg=-0.141) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.5) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 158:sc= 1.34 (180deg=0.435) USER MOD Single : A 121 SER OG : rot 62:sc= 1.2 USER MOD Single : A 125 ASN : amide:sc= 0.341 K(o=0.34,f=-0.31) USER MOD Single : A 128 ASN : amide:sc= -3.03! K(o=-3!,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 8.122 5.946 6.958 1.00 53.23 N ATOM 308 CA MET A 22 7.918 5.470 5.589 1.00 11.12 C ATOM 309 C MET A 22 6.663 4.616 5.533 1.00 24.33 C ATOM 310 O MET A 22 5.645 5.007 4.955 1.00 35.02 O ATOM 311 CB MET A 22 9.118 4.641 5.112 1.00 22.23 C ATOM 312 CG MET A 22 10.297 5.472 4.659 1.00 11.34 C ATOM 313 SD MET A 22 9.882 6.521 3.254 1.00 41.34 S ATOM 314 CE MET A 22 11.513 7.077 2.803 1.00 55.12 C ATOM 0 HA MET A 22 7.812 6.335 4.935 1.00 11.12 H new ATOM 0 HB2 MET A 22 9.438 3.985 5.921 1.00 22.23 H new ATOM 0 HB3 MET A 22 8.800 4.000 4.289 1.00 22.23 H new ATOM 0 HG2 MET A 22 10.642 6.093 5.486 1.00 11.34 H new ATOM 0 HG3 MET A 22 11.122 4.813 4.389 1.00 11.34 H new ATOM 0 HE1 MET A 22 11.586 7.147 1.718 1.00 55.12 H new ATOM 0 HE2 MET A 22 11.698 8.057 3.243 1.00 55.12 H new ATOM 0 HE3 MET A 22 12.254 6.368 3.172 1.00 55.12 H new ATOM 324 N ILE A 23 6.761 3.439 6.136 1.00 72.23 N ATOM 325 CA ILE A 23 5.609 2.568 6.321 1.00 53.11 C ATOM 326 C ILE A 23 4.680 3.194 7.366 1.00 1.12 C ATOM 327 O ILE A 23 4.722 2.834 8.547 1.00 20.24 O ATOM 328 CB ILE A 23 6.012 1.141 6.796 1.00 32.02 C ATOM 329 CG1 ILE A 23 7.294 0.651 6.091 1.00 12.11 C ATOM 330 CG2 ILE A 23 4.862 0.162 6.561 1.00 2.44 C ATOM 331 CD1 ILE A 23 7.180 0.519 4.586 1.00 62.13 C ATOM 0 H ILE A 23 7.634 3.064 6.508 1.00 72.23 H new ATOM 0 HA ILE A 23 5.112 2.467 5.356 1.00 53.11 H new ATOM 0 HB ILE A 23 6.222 1.190 7.864 1.00 32.02 H new ATOM 0 HG12 ILE A 23 8.105 1.342 6.321 1.00 12.11 H new ATOM 0 HG13 ILE A 23 7.573 -0.317 6.507 1.00 12.11 H new ATOM 0 HG21 ILE A 23 5.156 -0.832 6.897 1.00 2.44 H new ATOM 0 HG22 ILE A 23 3.985 0.489 7.120 1.00 2.44 H new ATOM 0 HG23 ILE A 23 4.623 0.130 5.498 1.00 2.44 H new ATOM 0 HD11 ILE A 23 8.129 0.169 4.179 1.00 62.13 H new ATOM 0 HD12 ILE A 23 6.394 -0.196 4.342 1.00 62.13 H new ATOM 0 HD13 ILE A 23 6.935 1.489 4.153 1.00 62.13 H new ATOM 343 N GLU A 24 3.881 4.162 6.936 1.00 55.24 N ATOM 344 CA GLU A 24 3.016 4.918 7.840 1.00 21.31 C ATOM 345 C GLU A 24 1.922 4.025 8.437 1.00 44.11 C ATOM 346 O GLU A 24 1.585 2.984 7.876 1.00 60.34 O ATOM 347 CB GLU A 24 2.396 6.108 7.091 1.00 42.12 C ATOM 348 CG GLU A 24 1.527 7.016 7.957 1.00 23.25 C ATOM 349 CD GLU A 24 2.310 7.683 9.077 1.00 41.04 C ATOM 350 OE1 GLU A 24 2.503 7.048 10.133 1.00 12.12 O ATOM 351 OE2 GLU A 24 2.740 8.842 8.901 1.00 13.05 O ATOM 0 H GLU A 24 3.812 4.446 5.959 1.00 55.24 H new ATOM 0 HA GLU A 24 3.621 5.293 8.665 1.00 21.31 H new ATOM 0 HB2 GLU A 24 3.197 6.703 6.653 1.00 42.12 H new ATOM 0 HB3 GLU A 24 1.793 5.728 6.266 1.00 42.12 H new ATOM 0 HG2 GLU A 24 1.073 7.783 7.330 1.00 23.25 H new ATOM 0 HG3 GLU A 24 0.713 6.432 8.386 1.00 23.25 H new ATOM 358 N GLN A 25 1.384 4.428 9.587 1.00 43.03 N ATOM 359 CA GLN A 25 0.316 3.684 10.258 1.00 50.20 C ATOM 360 C GLN A 25 -1.009 4.442 10.170 1.00 74.35 C ATOM 361 O GLN A 25 -1.046 5.663 10.338 1.00 64.25 O ATOM 362 CB GLN A 25 0.699 3.390 11.725 1.00 74.13 C ATOM 363 CG GLN A 25 1.312 4.574 12.482 1.00 13.02 C ATOM 364 CD GLN A 25 0.302 5.626 12.925 1.00 42.13 C ATOM 365 OE1 GLN A 25 0.612 6.816 12.973 1.00 55.42 O ATOM 366 NE2 GLN A 25 -0.897 5.195 13.290 1.00 3.51 N ATOM 0 H GLN A 25 1.673 5.274 10.078 1.00 43.03 H new ATOM 0 HA GLN A 25 0.186 2.729 9.748 1.00 50.20 H new ATOM 0 HB2 GLN A 25 -0.192 3.059 12.258 1.00 74.13 H new ATOM 0 HB3 GLN A 25 1.407 2.561 11.741 1.00 74.13 H new ATOM 0 HG2 GLN A 25 1.835 4.197 13.361 1.00 13.02 H new ATOM 0 HG3 GLN A 25 2.059 5.049 11.846 1.00 13.02 H new ATOM 0 HE21 GLN A 25 -1.120 4.201 13.237 1.00 3.51 H new ATOM 0 HE22 GLN A 25 -1.597 5.857 13.624 1.00 3.51 H new ATOM 375 N ILE A 26 -2.090 3.715 9.882 1.00 51.01 N ATOM 376 CA ILE A 26 -3.421 4.311 9.750 1.00 25.12 C ATOM 377 C ILE A 26 -4.505 3.338 10.213 1.00 71.02 C ATOM 378 O ILE A 26 -4.218 2.192 10.580 1.00 71.42 O ATOM 379 CB ILE A 26 -3.733 4.726 8.283 1.00 14.52 C ATOM 380 CG1 ILE A 26 -3.608 3.515 7.338 1.00 25.43 C ATOM 381 CG2 ILE A 26 -2.829 5.871 7.827 1.00 1.41 C ATOM 382 CD1 ILE A 26 -4.006 3.810 5.903 1.00 61.54 C ATOM 0 H ILE A 26 -2.069 2.706 9.735 1.00 51.01 H new ATOM 0 HA ILE A 26 -3.420 5.201 10.380 1.00 25.12 H new ATOM 0 HB ILE A 26 -4.762 5.084 8.246 1.00 14.52 H new ATOM 0 HG12 ILE A 26 -2.578 3.160 7.353 1.00 25.43 H new ATOM 0 HG13 ILE A 26 -4.230 2.705 7.718 1.00 25.43 H new ATOM 0 HG21 ILE A 26 -3.071 6.138 6.798 1.00 1.41 H new ATOM 0 HG22 ILE A 26 -2.983 6.736 8.472 1.00 1.41 H new ATOM 0 HG23 ILE A 26 -1.787 5.557 7.884 1.00 1.41 H new ATOM 0 HD11 ILE A 26 -3.891 2.909 5.301 1.00 61.54 H new ATOM 0 HD12 ILE A 26 -5.046 4.136 5.873 1.00 61.54 H new ATOM 0 HD13 ILE A 26 -3.368 4.598 5.503 1.00 61.54 H new ATOM 394 N GLY A 27 -5.744 3.820 10.203 1.00 2.04 N ATOM 395 CA GLY A 27 -6.902 2.983 10.453 1.00 53.41 C ATOM 396 C GLY A 27 -7.966 3.201 9.395 1.00 13.32 C ATOM 397 O GLY A 27 -7.697 3.828 8.365 1.00 22.33 O ATOM 0 H GLY A 27 -5.968 4.798 10.022 1.00 2.04 H new ATOM 0 HA2 GLY A 27 -6.603 1.935 10.463 1.00 53.41 H new ATOM 0 HA3 GLY A 27 -7.312 3.207 11.438 1.00 53.41 H new ATOM 401 N ASP A 28 -9.170 2.697 9.648 1.00 21.34 N ATOM 402 CA ASP A 28 -10.286 2.828 8.705 1.00 45.03 C ATOM 403 C ASP A 28 -10.544 4.291 8.345 1.00 52.32 C ATOM 404 O ASP A 28 -10.618 4.651 7.168 1.00 62.44 O ATOM 405 CB ASP A 28 -11.560 2.213 9.304 1.00 75.31 C ATOM 406 CG ASP A 28 -12.798 2.447 8.444 1.00 41.12 C ATOM 407 OD1 ASP A 28 -13.466 3.493 8.623 1.00 13.35 O ATOM 408 OD2 ASP A 28 -13.115 1.587 7.601 1.00 23.14 O ATOM 0 H ASP A 28 -9.403 2.190 10.502 1.00 21.34 H new ATOM 0 HA ASP A 28 -10.015 2.294 7.794 1.00 45.03 H new ATOM 0 HB2 ASP A 28 -11.412 1.141 9.434 1.00 75.31 H new ATOM 0 HB3 ASP A 28 -11.728 2.634 10.295 1.00 75.31 H new ATOM 413 N SER A 29 -10.663 5.125 9.366 1.00 72.14 N ATOM 414 CA SER A 29 -11.009 6.530 9.189 1.00 64.35 C ATOM 415 C SER A 29 -9.881 7.324 8.514 1.00 53.13 C ATOM 416 O SER A 29 -10.138 8.274 7.768 1.00 61.33 O ATOM 417 CB SER A 29 -11.370 7.127 10.555 1.00 2.22 C ATOM 418 OG SER A 29 -10.588 6.540 11.585 1.00 70.11 O ATOM 0 H SER A 29 -10.523 4.850 10.338 1.00 72.14 H new ATOM 0 HA SER A 29 -11.868 6.597 8.521 1.00 64.35 H new ATOM 0 HB2 SER A 29 -11.209 8.205 10.540 1.00 2.22 H new ATOM 0 HB3 SER A 29 -12.428 6.966 10.759 1.00 2.22 H new ATOM 0 HG SER A 29 -9.851 7.142 11.820 1.00 70.11 H new ATOM 424 N GLU A 30 -8.635 6.937 8.775 1.00 25.12 N ATOM 425 CA GLU A 30 -7.477 7.627 8.201 1.00 12.50 C ATOM 426 C GLU A 30 -7.225 7.163 6.771 1.00 33.11 C ATOM 427 O GLU A 30 -6.600 7.875 5.987 1.00 10.25 O ATOM 428 CB GLU A 30 -6.212 7.383 9.043 1.00 24.23 C ATOM 429 CG GLU A 30 -6.266 7.958 10.457 1.00 64.21 C ATOM 430 CD GLU A 30 -7.419 7.408 11.275 1.00 42.44 C ATOM 431 OE1 GLU A 30 -7.564 6.171 11.341 1.00 4.15 O ATOM 432 OE2 GLU A 30 -8.205 8.210 11.821 1.00 53.43 O ATOM 0 H GLU A 30 -8.399 6.150 9.380 1.00 25.12 H new ATOM 0 HA GLU A 30 -7.702 8.694 8.200 1.00 12.50 H new ATOM 0 HB2 GLU A 30 -6.037 6.309 9.109 1.00 24.23 H new ATOM 0 HB3 GLU A 30 -5.357 7.814 8.522 1.00 24.23 H new ATOM 0 HG2 GLU A 30 -5.328 7.740 10.968 1.00 64.21 H new ATOM 0 HG3 GLU A 30 -6.353 9.043 10.399 1.00 64.21 H new ATOM 439 N PHE A 31 -7.719 5.971 6.447 1.00 15.24 N ATOM 440 CA PHE A 31 -7.479 5.347 5.146 1.00 24.10 C ATOM 441 C PHE A 31 -7.830 6.298 3.997 1.00 52.03 C ATOM 442 O PHE A 31 -6.956 6.703 3.223 1.00 41.32 O ATOM 443 CB PHE A 31 -8.302 4.056 5.045 1.00 4.31 C ATOM 444 CG PHE A 31 -8.154 3.318 3.737 1.00 61.21 C ATOM 445 CD1 PHE A 31 -7.024 2.554 3.482 1.00 33.13 C ATOM 446 CD2 PHE A 31 -9.148 3.380 2.768 1.00 51.11 C ATOM 447 CE1 PHE A 31 -6.890 1.870 2.290 1.00 63.33 C ATOM 448 CE2 PHE A 31 -9.014 2.698 1.575 1.00 13.51 C ATOM 449 CZ PHE A 31 -7.884 1.943 1.337 1.00 24.11 C ATOM 0 H PHE A 31 -8.295 5.411 7.075 1.00 15.24 H new ATOM 0 HA PHE A 31 -6.418 5.112 5.062 1.00 24.10 H new ATOM 0 HB2 PHE A 31 -8.011 3.390 5.858 1.00 4.31 H new ATOM 0 HB3 PHE A 31 -9.354 4.299 5.193 1.00 4.31 H new ATOM 0 HD1 PHE A 31 -6.241 2.494 4.224 1.00 33.13 H new ATOM 0 HD2 PHE A 31 -10.035 3.968 2.950 1.00 51.11 H new ATOM 0 HE1 PHE A 31 -6.006 1.278 2.104 1.00 63.33 H new ATOM 0 HE2 PHE A 31 -9.793 2.755 0.829 1.00 13.51 H new ATOM 0 HZ PHE A 31 -7.778 1.409 0.404 1.00 24.11 H new ATOM 459 N ASP A 32 -9.101 6.685 3.925 1.00 75.15 N ATOM 460 CA ASP A 32 -9.593 7.531 2.836 1.00 52.41 C ATOM 461 C ASP A 32 -8.807 8.837 2.772 1.00 23.43 C ATOM 462 O ASP A 32 -8.349 9.254 1.702 1.00 61.12 O ATOM 463 CB ASP A 32 -11.089 7.831 3.018 1.00 51.52 C ATOM 464 CG ASP A 32 -11.939 6.571 3.076 1.00 3.14 C ATOM 465 OD1 ASP A 32 -12.133 6.030 4.186 1.00 31.22 O ATOM 466 OD2 ASP A 32 -12.418 6.112 2.016 1.00 73.33 O ATOM 0 H ASP A 32 -9.812 6.426 4.609 1.00 75.15 H new ATOM 0 HA ASP A 32 -9.453 6.991 1.900 1.00 52.41 H new ATOM 0 HB2 ASP A 32 -11.231 8.403 3.935 1.00 51.52 H new ATOM 0 HB3 ASP A 32 -11.432 8.458 2.195 1.00 51.52 H new ATOM 471 N ASN A 33 -8.636 9.462 3.936 1.00 2.24 N ATOM 472 CA ASN A 33 -7.930 10.738 4.047 1.00 73.04 C ATOM 473 C ASN A 33 -6.522 10.644 3.467 1.00 21.42 C ATOM 474 O ASN A 33 -6.152 11.414 2.587 1.00 54.53 O ATOM 475 CB ASN A 33 -7.846 11.197 5.513 1.00 65.43 C ATOM 476 CG ASN A 33 -9.203 11.492 6.130 1.00 42.34 C ATOM 477 OD1 ASN A 33 -10.195 10.824 5.834 1.00 53.31 O ATOM 478 ND2 ASN A 33 -9.262 12.511 6.977 1.00 2.05 N ATOM 0 H ASN A 33 -8.981 9.100 4.825 1.00 2.24 H new ATOM 0 HA ASN A 33 -8.500 11.470 3.475 1.00 73.04 H new ATOM 0 HB2 ASN A 33 -7.348 10.425 6.100 1.00 65.43 H new ATOM 0 HB3 ASN A 33 -7.226 12.092 5.571 1.00 65.43 H new ATOM 0 HD21 ASN A 33 -10.151 12.765 7.408 1.00 2.05 H new ATOM 0 HD22 ASN A 33 -8.419 13.041 7.197 1.00 2.05 H new ATOM 485 N LYS A 34 -5.750 9.680 3.952 1.00 41.04 N ATOM 486 CA LYS A 34 -4.349 9.547 3.560 1.00 60.53 C ATOM 487 C LYS A 34 -4.218 9.149 2.090 1.00 44.40 C ATOM 488 O LYS A 34 -3.268 9.551 1.413 1.00 15.20 O ATOM 489 CB LYS A 34 -3.641 8.525 4.460 1.00 50.31 C ATOM 490 CG LYS A 34 -3.581 8.941 5.927 1.00 70.21 C ATOM 491 CD LYS A 34 -2.778 10.226 6.121 1.00 15.34 C ATOM 492 CE LYS A 34 -2.717 10.637 7.586 1.00 64.32 C ATOM 493 NZ LYS A 34 -1.904 11.865 7.785 1.00 32.12 N ATOM 0 H LYS A 34 -6.069 8.977 4.618 1.00 41.04 H new ATOM 0 HA LYS A 34 -3.870 10.518 3.684 1.00 60.53 H new ATOM 0 HB2 LYS A 34 -4.156 7.567 4.383 1.00 50.31 H new ATOM 0 HB3 LYS A 34 -2.626 8.371 4.093 1.00 50.31 H new ATOM 0 HG2 LYS A 34 -4.593 9.084 6.306 1.00 70.21 H new ATOM 0 HG3 LYS A 34 -3.132 8.140 6.514 1.00 70.21 H new ATOM 0 HD2 LYS A 34 -1.766 10.084 5.741 1.00 15.34 H new ATOM 0 HD3 LYS A 34 -3.228 11.028 5.537 1.00 15.34 H new ATOM 0 HE2 LYS A 34 -3.728 10.807 7.958 1.00 64.32 H new ATOM 0 HE3 LYS A 34 -2.294 9.823 8.174 1.00 64.32 H new ATOM 0 HZ1 LYS A 34 -1.888 12.111 8.795 1.00 32.12 H new ATOM 0 HZ2 LYS A 34 -0.933 11.696 7.454 1.00 32.12 H new ATOM 0 HZ3 LYS A 34 -2.322 12.649 7.245 1.00 32.12 H new ATOM 507 N VAL A 35 -5.174 8.364 1.601 1.00 1.13 N ATOM 508 CA VAL A 35 -5.156 7.911 0.214 1.00 34.34 C ATOM 509 C VAL A 35 -5.486 9.050 -0.761 1.00 13.32 C ATOM 510 O VAL A 35 -4.901 9.133 -1.843 1.00 73.22 O ATOM 511 CB VAL A 35 -6.136 6.728 -0.004 1.00 72.54 C ATOM 512 CG1 VAL A 35 -6.273 6.396 -1.487 1.00 23.04 C ATOM 513 CG2 VAL A 35 -5.672 5.497 0.776 1.00 54.30 C ATOM 0 H VAL A 35 -5.970 8.029 2.144 1.00 1.13 H new ATOM 0 HA VAL A 35 -4.142 7.569 0.007 1.00 34.34 H new ATOM 0 HB VAL A 35 -7.115 7.029 0.368 1.00 72.54 H new ATOM 0 HG11 VAL A 35 -6.966 5.563 -1.611 1.00 23.04 H new ATOM 0 HG12 VAL A 35 -6.653 7.267 -2.021 1.00 23.04 H new ATOM 0 HG13 VAL A 35 -5.298 6.120 -1.890 1.00 23.04 H new ATOM 0 HG21 VAL A 35 -6.371 4.677 0.611 1.00 54.30 H new ATOM 0 HG22 VAL A 35 -4.680 5.202 0.434 1.00 54.30 H new ATOM 0 HG23 VAL A 35 -5.634 5.733 1.839 1.00 54.30 H new ATOM 523 N THR A 36 -6.420 9.919 -0.384 1.00 35.30 N ATOM 524 CA THR A 36 -6.842 11.019 -1.257 1.00 55.03 C ATOM 525 C THR A 36 -5.941 12.253 -1.105 1.00 42.32 C ATOM 526 O THR A 36 -5.563 12.889 -2.091 1.00 14.12 O ATOM 527 CB THR A 36 -8.307 11.419 -0.969 1.00 43.12 C ATOM 528 OG1 THR A 36 -8.468 11.697 0.428 1.00 51.04 O ATOM 529 CG2 THR A 36 -9.274 10.313 -1.384 1.00 10.43 C ATOM 0 H THR A 36 -6.899 9.886 0.516 1.00 35.30 H new ATOM 0 HA THR A 36 -6.757 10.656 -2.281 1.00 55.03 H new ATOM 0 HB THR A 36 -8.535 12.311 -1.553 1.00 43.12 H new ATOM 0 HG1 THR A 36 -8.579 10.856 0.918 1.00 51.04 H new ATOM 0 HG21 THR A 36 -10.296 10.624 -1.169 1.00 10.43 H new ATOM 0 HG22 THR A 36 -9.170 10.121 -2.452 1.00 10.43 H new ATOM 0 HG23 THR A 36 -9.047 9.403 -0.828 1.00 10.43 H new ATOM 537 N SER A 37 -5.585 12.568 0.136 1.00 15.33 N ATOM 538 CA SER A 37 -4.861 13.800 0.459 1.00 44.43 C ATOM 539 C SER A 37 -3.347 13.646 0.241 1.00 12.14 C ATOM 540 O SER A 37 -2.568 14.512 0.646 1.00 34.34 O ATOM 541 CB SER A 37 -5.161 14.197 1.918 1.00 73.44 C ATOM 542 OG SER A 37 -4.650 15.483 2.236 1.00 51.04 O ATOM 0 H SER A 37 -5.787 11.982 0.946 1.00 15.33 H new ATOM 0 HA SER A 37 -5.202 14.587 -0.214 1.00 44.43 H new ATOM 0 HB2 SER A 37 -6.238 14.184 2.083 1.00 73.44 H new ATOM 0 HB3 SER A 37 -4.727 13.458 2.591 1.00 73.44 H new ATOM 0 HG SER A 37 -3.747 15.577 1.867 1.00 51.04 H new ATOM 548 N CYS A 38 -2.935 12.560 -0.411 1.00 4.45 N ATOM 549 CA CYS A 38 -1.514 12.284 -0.630 1.00 52.31 C ATOM 550 C CYS A 38 -0.906 13.223 -1.672 1.00 1.42 C ATOM 551 O CYS A 38 -0.799 12.874 -2.850 1.00 4.31 O ATOM 552 CB CYS A 38 -1.311 10.832 -1.057 1.00 50.01 C ATOM 553 SG CYS A 38 -2.316 10.329 -2.473 1.00 71.32 S ATOM 0 H CYS A 38 -3.564 11.856 -0.797 1.00 4.45 H new ATOM 0 HA CYS A 38 -1.001 12.457 0.316 1.00 52.31 H new ATOM 0 HB2 CYS A 38 -0.259 10.680 -1.300 1.00 50.01 H new ATOM 0 HB3 CYS A 38 -1.541 10.181 -0.213 1.00 50.01 H new ATOM 0 HG CYS A 38 -3.490 9.952 -2.060 1.00 71.32 H new ATOM 559 N ASN A 39 -0.534 14.416 -1.216 1.00 11.01 N ATOM 560 CA ASN A 39 0.124 15.433 -2.042 1.00 24.33 C ATOM 561 C ASN A 39 -0.492 15.538 -3.445 1.00 50.34 C ATOM 562 O ASN A 39 -1.485 16.245 -3.637 1.00 22.52 O ATOM 563 CB ASN A 39 1.642 15.179 -2.126 1.00 72.34 C ATOM 564 CG ASN A 39 2.380 16.255 -2.913 1.00 11.30 C ATOM 565 OD1 ASN A 39 1.966 17.415 -2.944 1.00 22.14 O ATOM 566 ND2 ASN A 39 3.485 15.877 -3.542 1.00 42.33 N ATOM 0 H ASN A 39 -0.681 14.711 -0.251 1.00 11.01 H new ATOM 0 HA ASN A 39 -0.040 16.392 -1.551 1.00 24.33 H new ATOM 0 HB2 ASN A 39 2.053 15.127 -1.118 1.00 72.34 H new ATOM 0 HB3 ASN A 39 1.818 14.210 -2.592 1.00 72.34 H new ATOM 0 HD21 ASN A 39 4.026 16.557 -4.076 1.00 42.33 H new ATOM 0 HD22 ASN A 39 3.794 14.906 -3.491 1.00 42.33 H new ATOM 573 N ASP A 40 0.081 14.816 -4.411 1.00 44.02 N ATOM 574 CA ASP A 40 -0.386 14.861 -5.797 1.00 52.11 C ATOM 575 C ASP A 40 0.129 13.648 -6.573 1.00 63.33 C ATOM 576 O ASP A 40 1.335 13.425 -6.645 1.00 30.13 O ATOM 577 CB ASP A 40 0.077 16.163 -6.478 1.00 74.41 C ATOM 578 CG ASP A 40 -0.337 16.239 -7.940 1.00 31.42 C ATOM 579 OD1 ASP A 40 -1.546 16.393 -8.212 1.00 33.53 O ATOM 580 OD2 ASP A 40 0.541 16.136 -8.828 1.00 64.12 O ATOM 0 H ASP A 40 0.872 14.191 -4.257 1.00 44.02 H new ATOM 0 HA ASP A 40 -1.476 14.837 -5.794 1.00 52.11 H new ATOM 0 HB2 ASP A 40 -0.338 17.016 -5.942 1.00 74.41 H new ATOM 0 HB3 ASP A 40 1.162 16.240 -6.407 1.00 74.41 H new ATOM 585 N ASN A 41 -0.799 12.863 -7.132 1.00 24.42 N ATOM 586 CA ASN A 41 -0.470 11.681 -7.951 1.00 14.00 C ATOM 587 C ASN A 41 0.433 10.683 -7.217 1.00 31.13 C ATOM 588 O ASN A 41 1.050 9.819 -7.845 1.00 24.10 O ATOM 589 CB ASN A 41 0.183 12.097 -9.281 1.00 42.40 C ATOM 590 CG ASN A 41 -0.809 12.720 -10.250 1.00 64.12 C ATOM 591 OD1 ASN A 41 -1.460 12.020 -11.025 1.00 40.21 O ATOM 592 ND2 ASN A 41 -0.929 14.036 -10.220 1.00 41.40 N ATOM 0 H ASN A 41 -1.801 13.026 -7.032 1.00 24.42 H new ATOM 0 HA ASN A 41 -1.415 11.178 -8.154 1.00 14.00 H new ATOM 0 HB2 ASN A 41 0.985 12.808 -9.081 1.00 42.40 H new ATOM 0 HB3 ASN A 41 0.640 11.223 -9.746 1.00 42.40 H new ATOM 0 HD21 ASN A 41 -1.578 14.504 -10.853 1.00 41.40 H new ATOM 0 HD22 ASN A 41 -0.373 14.584 -9.564 1.00 41.40 H new ATOM 599 N ILE A 42 0.485 10.775 -5.889 1.00 52.42 N ATOM 600 CA ILE A 42 1.321 9.879 -5.092 1.00 54.44 C ATOM 601 C ILE A 42 0.731 8.468 -5.065 1.00 30.52 C ATOM 602 O ILE A 42 -0.476 8.288 -4.862 1.00 63.42 O ATOM 603 CB ILE A 42 1.494 10.398 -3.639 1.00 4.51 C ATOM 604 CG1 ILE A 42 2.145 11.793 -3.636 1.00 50.40 C ATOM 605 CG2 ILE A 42 2.320 9.417 -2.801 1.00 41.14 C ATOM 606 CD1 ILE A 42 3.525 11.836 -4.261 1.00 52.33 C ATOM 0 H ILE A 42 -0.040 11.459 -5.344 1.00 52.42 H new ATOM 0 HA ILE A 42 2.302 9.850 -5.566 1.00 54.44 H new ATOM 0 HB ILE A 42 0.504 10.478 -3.189 1.00 4.51 H new ATOM 0 HG12 ILE A 42 1.495 12.486 -4.170 1.00 50.40 H new ATOM 0 HG13 ILE A 42 2.213 12.148 -2.608 1.00 50.40 H new ATOM 0 HG21 ILE A 42 2.426 9.804 -1.788 1.00 41.14 H new ATOM 0 HG22 ILE A 42 1.816 8.451 -2.769 1.00 41.14 H new ATOM 0 HG23 ILE A 42 3.306 9.297 -3.249 1.00 41.14 H new ATOM 0 HD11 ILE A 42 3.912 12.854 -4.218 1.00 52.33 H new ATOM 0 HD12 ILE A 42 4.193 11.171 -3.714 1.00 52.33 H new ATOM 0 HD13 ILE A 42 3.464 11.514 -5.301 1.00 52.33 H new ATOM 618 N LEU A 43 1.590 7.476 -5.287 1.00 4.22 N ATOM 619 CA LEU A 43 1.187 6.077 -5.257 1.00 51.32 C ATOM 620 C LEU A 43 1.106 5.577 -3.815 1.00 61.44 C ATOM 621 O LEU A 43 2.114 5.515 -3.102 1.00 73.12 O ATOM 622 CB LEU A 43 2.165 5.213 -6.071 1.00 2.05 C ATOM 623 CG LEU A 43 1.993 3.689 -5.917 1.00 61.21 C ATOM 624 CD1 LEU A 43 0.579 3.246 -6.293 1.00 43.23 C ATOM 625 CD2 LEU A 43 3.037 2.939 -6.744 1.00 30.43 C ATOM 0 H LEU A 43 2.579 7.620 -5.491 1.00 4.22 H new ATOM 0 HA LEU A 43 0.199 5.994 -5.710 1.00 51.32 H new ATOM 0 HB2 LEU A 43 2.057 5.468 -7.125 1.00 2.05 H new ATOM 0 HB3 LEU A 43 3.182 5.477 -5.782 1.00 2.05 H new ATOM 0 HG LEU A 43 2.147 3.442 -4.867 1.00 61.21 H new ATOM 0 HD11 LEU A 43 0.492 2.166 -6.173 1.00 43.23 H new ATOM 0 HD12 LEU A 43 -0.142 3.742 -5.644 1.00 43.23 H new ATOM 0 HD13 LEU A 43 0.378 3.513 -7.330 1.00 43.23 H new ATOM 0 HD21 LEU A 43 2.897 1.865 -6.620 1.00 30.43 H new ATOM 0 HD22 LEU A 43 2.924 3.201 -7.796 1.00 30.43 H new ATOM 0 HD23 LEU A 43 4.036 3.216 -6.406 1.00 30.43 H new ATOM 637 N ILE A 44 -0.105 5.236 -3.400 1.00 25.43 N ATOM 638 CA ILE A 44 -0.359 4.707 -2.069 1.00 24.42 C ATOM 639 C ILE A 44 -0.374 3.183 -2.097 1.00 3.20 C ATOM 640 O ILE A 44 -1.188 2.577 -2.797 1.00 3.30 O ATOM 641 CB ILE A 44 -1.724 5.194 -1.519 1.00 70.04 C ATOM 642 CG1 ILE A 44 -1.799 6.727 -1.517 1.00 44.11 C ATOM 643 CG2 ILE A 44 -1.963 4.640 -0.113 1.00 60.43 C ATOM 644 CD1 ILE A 44 -0.867 7.383 -0.525 1.00 43.10 C ATOM 0 H ILE A 44 -0.941 5.319 -3.979 1.00 25.43 H new ATOM 0 HA ILE A 44 0.441 5.067 -1.422 1.00 24.42 H new ATOM 0 HB ILE A 44 -2.509 4.819 -2.176 1.00 70.04 H new ATOM 0 HG12 ILE A 44 -1.567 7.094 -2.517 1.00 44.11 H new ATOM 0 HG13 ILE A 44 -2.822 7.031 -1.296 1.00 44.11 H new ATOM 0 HG21 ILE A 44 -2.926 4.992 0.258 1.00 60.43 H new ATOM 0 HG22 ILE A 44 -1.963 3.551 -0.146 1.00 60.43 H new ATOM 0 HG23 ILE A 44 -1.171 4.982 0.553 1.00 60.43 H new ATOM 0 HD11 ILE A 44 -0.978 8.466 -0.583 1.00 43.10 H new ATOM 0 HD12 ILE A 44 -1.112 7.047 0.482 1.00 43.10 H new ATOM 0 HD13 ILE A 44 0.162 7.111 -0.758 1.00 43.10 H new ATOM 656 N LEU A 45 0.535 2.570 -1.356 1.00 4.22 N ATOM 657 CA LEU A 45 0.500 1.129 -1.138 1.00 25.10 C ATOM 658 C LEU A 45 -0.017 0.869 0.269 1.00 33.11 C ATOM 659 O LEU A 45 0.512 1.425 1.226 1.00 1.24 O ATOM 660 CB LEU A 45 1.893 0.490 -1.294 1.00 14.35 C ATOM 661 CG LEU A 45 2.526 0.570 -2.696 1.00 52.51 C ATOM 662 CD1 LEU A 45 2.980 1.990 -3.019 1.00 21.44 C ATOM 663 CD2 LEU A 45 3.694 -0.408 -2.814 1.00 13.24 C ATOM 0 H LEU A 45 1.309 3.047 -0.893 1.00 4.22 H new ATOM 0 HA LEU A 45 -0.154 0.682 -1.887 1.00 25.10 H new ATOM 0 HB2 LEU A 45 2.570 0.967 -0.585 1.00 14.35 H new ATOM 0 HB3 LEU A 45 1.822 -0.560 -1.010 1.00 14.35 H new ATOM 0 HG LEU A 45 1.764 0.290 -3.423 1.00 52.51 H new ATOM 0 HD11 LEU A 45 3.422 2.013 -4.015 1.00 21.44 H new ATOM 0 HD12 LEU A 45 2.123 2.662 -2.987 1.00 21.44 H new ATOM 0 HD13 LEU A 45 3.720 2.311 -2.286 1.00 21.44 H new ATOM 0 HD21 LEU A 45 4.128 -0.337 -3.811 1.00 13.24 H new ATOM 0 HD22 LEU A 45 4.451 -0.162 -2.070 1.00 13.24 H new ATOM 0 HD23 LEU A 45 3.336 -1.424 -2.645 1.00 13.24 H new ATOM 675 N VAL A 46 -1.064 0.068 0.401 1.00 72.42 N ATOM 676 CA VAL A 46 -1.576 -0.291 1.719 1.00 21.32 C ATOM 677 C VAL A 46 -1.328 -1.768 1.973 1.00 24.44 C ATOM 678 O VAL A 46 -2.022 -2.630 1.429 1.00 74.02 O ATOM 679 CB VAL A 46 -3.089 0.025 1.856 1.00 43.54 C ATOM 680 CG1 VAL A 46 -3.601 -0.318 3.258 1.00 50.13 C ATOM 681 CG2 VAL A 46 -3.361 1.492 1.517 1.00 20.13 C ATOM 0 H VAL A 46 -1.574 -0.344 -0.381 1.00 72.42 H new ATOM 0 HA VAL A 46 -1.048 0.308 2.461 1.00 21.32 H new ATOM 0 HB VAL A 46 -3.632 -0.598 1.146 1.00 43.54 H new ATOM 0 HG11 VAL A 46 -4.664 -0.086 3.324 1.00 50.13 H new ATOM 0 HG12 VAL A 46 -3.449 -1.380 3.451 1.00 50.13 H new ATOM 0 HG13 VAL A 46 -3.055 0.267 3.998 1.00 50.13 H new ATOM 0 HG21 VAL A 46 -4.427 1.697 1.618 1.00 20.13 H new ATOM 0 HG22 VAL A 46 -2.802 2.133 2.199 1.00 20.13 H new ATOM 0 HG23 VAL A 46 -3.048 1.693 0.492 1.00 20.13 H new ATOM 691 N ASP A 47 -0.337 -2.048 2.804 1.00 1.22 N ATOM 692 CA ASP A 47 0.090 -3.416 3.060 1.00 24.15 C ATOM 693 C ASP A 47 -0.503 -3.933 4.366 1.00 41.01 C ATOM 694 O ASP A 47 -0.256 -3.374 5.440 1.00 12.34 O ATOM 695 CB ASP A 47 1.625 -3.486 3.110 1.00 53.10 C ATOM 696 CG ASP A 47 2.281 -3.133 1.779 1.00 73.04 C ATOM 697 OD1 ASP A 47 2.059 -2.008 1.277 1.00 4.44 O ATOM 698 OD2 ASP A 47 3.014 -3.981 1.233 1.00 60.41 O ATOM 0 H ASP A 47 0.191 -1.341 3.316 1.00 1.22 H new ATOM 0 HA ASP A 47 -0.270 -4.048 2.248 1.00 24.15 H new ATOM 0 HB2 ASP A 47 1.989 -2.806 3.880 1.00 53.10 H new ATOM 0 HB3 ASP A 47 1.928 -4.491 3.403 1.00 53.10 H new ATOM 703 N PHE A 48 -1.309 -4.988 4.272 1.00 32.52 N ATOM 704 CA PHE A 48 -1.839 -5.650 5.457 1.00 35.45 C ATOM 705 C PHE A 48 -0.735 -6.465 6.127 1.00 61.52 C ATOM 706 O PHE A 48 -0.503 -7.629 5.792 1.00 71.31 O ATOM 707 CB PHE A 48 -3.046 -6.531 5.102 1.00 24.22 C ATOM 708 CG PHE A 48 -4.309 -5.746 4.838 1.00 51.54 C ATOM 709 CD1 PHE A 48 -4.409 -4.905 3.739 1.00 30.12 C ATOM 710 CD2 PHE A 48 -5.392 -5.841 5.700 1.00 13.54 C ATOM 711 CE1 PHE A 48 -5.560 -4.180 3.503 1.00 64.40 C ATOM 712 CE2 PHE A 48 -6.546 -5.117 5.469 1.00 72.32 C ATOM 713 CZ PHE A 48 -6.631 -4.286 4.369 1.00 0.25 C ATOM 0 H PHE A 48 -1.608 -5.401 3.388 1.00 32.52 H new ATOM 0 HA PHE A 48 -2.188 -4.893 6.159 1.00 35.45 H new ATOM 0 HB2 PHE A 48 -2.806 -7.124 4.220 1.00 24.22 H new ATOM 0 HB3 PHE A 48 -3.227 -7.231 5.918 1.00 24.22 H new ATOM 0 HD1 PHE A 48 -3.575 -4.816 3.059 1.00 30.12 H new ATOM 0 HD2 PHE A 48 -5.332 -6.489 6.562 1.00 13.54 H new ATOM 0 HE1 PHE A 48 -5.623 -3.531 2.642 1.00 64.40 H new ATOM 0 HE2 PHE A 48 -7.381 -5.201 6.148 1.00 72.32 H new ATOM 0 HZ PHE A 48 -7.533 -3.720 4.186 1.00 0.25 H new ATOM 836 N ARG A 57 7.929 -10.984 6.246 1.00 41.31 N ATOM 837 CA ARG A 57 9.124 -10.600 6.991 1.00 2.54 C ATOM 838 C ARG A 57 10.243 -10.156 6.038 1.00 73.34 C ATOM 839 O ARG A 57 11.084 -9.326 6.384 1.00 3.31 O ATOM 840 CB ARG A 57 9.585 -11.779 7.852 1.00 24.44 C ATOM 841 CG ARG A 57 10.724 -11.442 8.797 1.00 41.50 C ATOM 842 CD ARG A 57 11.099 -12.629 9.670 1.00 65.32 C ATOM 843 NE ARG A 57 12.156 -12.286 10.623 1.00 51.33 N ATOM 844 CZ ARG A 57 12.327 -12.888 11.798 1.00 43.11 C ATOM 845 NH1 ARG A 57 11.537 -13.891 12.157 1.00 1.53 N ATOM 846 NH2 ARG A 57 13.303 -12.495 12.606 1.00 44.42 N ATOM 0 HA ARG A 57 8.884 -9.755 7.637 1.00 2.54 H new ATOM 0 HB2 ARG A 57 8.739 -12.144 8.434 1.00 24.44 H new ATOM 0 HB3 ARG A 57 9.897 -12.593 7.198 1.00 24.44 H new ATOM 0 HG2 ARG A 57 11.593 -11.125 8.221 1.00 41.50 H new ATOM 0 HG3 ARG A 57 10.436 -10.602 9.429 1.00 41.50 H new ATOM 0 HD2 ARG A 57 10.219 -12.975 10.212 1.00 65.32 H new ATOM 0 HD3 ARG A 57 11.431 -13.454 9.040 1.00 65.32 H new ATOM 0 HE ARG A 57 12.802 -11.538 10.371 1.00 51.33 H new ATOM 0 HH11 ARG A 57 10.794 -14.204 11.532 1.00 1.53 H new ATOM 0 HH12 ARG A 57 11.672 -14.349 13.058 1.00 1.53 H new ATOM 0 HH21 ARG A 57 13.921 -11.733 12.327 1.00 44.42 H new ATOM 0 HH22 ARG A 57 13.436 -12.955 13.507 1.00 44.42 H new ATOM 860 N SER A 58 10.252 -10.736 4.844 1.00 44.14 N ATOM 861 CA SER A 58 11.184 -10.342 3.790 1.00 1.51 C ATOM 862 C SER A 58 10.742 -9.003 3.186 1.00 2.34 C ATOM 863 O SER A 58 11.566 -8.137 2.820 1.00 24.51 O ATOM 864 CB SER A 58 11.225 -11.431 2.707 1.00 35.02 C ATOM 865 OG SER A 58 12.247 -11.189 1.757 1.00 53.13 O ATOM 0 H SER A 58 9.618 -11.489 4.578 1.00 44.14 H new ATOM 0 HA SER A 58 12.183 -10.225 4.209 1.00 1.51 H new ATOM 0 HB2 SER A 58 11.386 -12.403 3.174 1.00 35.02 H new ATOM 0 HB3 SER A 58 10.261 -11.476 2.200 1.00 35.02 H new ATOM 0 HG SER A 58 12.244 -11.902 1.085 1.00 53.13 H new ATOM 871 N LEU A 59 9.428 -8.838 3.101 1.00 40.21 N ATOM 872 CA LEU A 59 8.837 -7.636 2.543 1.00 35.53 C ATOM 873 C LEU A 59 9.158 -6.423 3.410 1.00 62.15 C ATOM 874 O LEU A 59 9.189 -5.309 2.909 1.00 1.42 O ATOM 875 CB LEU A 59 7.315 -7.790 2.384 1.00 35.14 C ATOM 876 CG LEU A 59 6.827 -8.582 1.150 1.00 45.24 C ATOM 877 CD1 LEU A 59 7.044 -7.787 -0.130 1.00 41.24 C ATOM 878 CD2 LEU A 59 7.509 -9.943 1.046 1.00 44.43 C ATOM 0 H LEU A 59 8.749 -9.531 3.416 1.00 40.21 H new ATOM 0 HA LEU A 59 9.270 -7.481 1.555 1.00 35.53 H new ATOM 0 HB2 LEU A 59 6.926 -8.278 3.278 1.00 35.14 H new ATOM 0 HB3 LEU A 59 6.873 -6.794 2.347 1.00 35.14 H new ATOM 0 HG LEU A 59 5.758 -8.751 1.280 1.00 45.24 H new ATOM 0 HD11 LEU A 59 6.692 -8.367 -0.983 1.00 41.24 H new ATOM 0 HD12 LEU A 59 6.490 -6.850 -0.075 1.00 41.24 H new ATOM 0 HD13 LEU A 59 8.106 -7.573 -0.250 1.00 41.24 H new ATOM 0 HD21 LEU A 59 7.139 -10.469 0.166 1.00 44.43 H new ATOM 0 HD22 LEU A 59 8.587 -9.804 0.960 1.00 44.43 H new ATOM 0 HD23 LEU A 59 7.289 -10.529 1.938 1.00 44.43 H new ATOM 890 N GLU A 60 9.402 -6.632 4.706 1.00 63.22 N ATOM 891 CA GLU A 60 9.781 -5.523 5.583 1.00 12.23 C ATOM 892 C GLU A 60 10.991 -4.771 4.990 1.00 15.35 C ATOM 893 O GLU A 60 10.858 -3.607 4.594 1.00 41.13 O ATOM 894 CB GLU A 60 10.069 -5.999 7.022 1.00 64.54 C ATOM 895 CG GLU A 60 8.872 -6.611 7.737 1.00 35.34 C ATOM 896 CD GLU A 60 9.217 -7.074 9.146 1.00 32.12 C ATOM 897 OE1 GLU A 60 9.418 -6.211 10.028 1.00 52.20 O ATOM 898 OE2 GLU A 60 9.313 -8.297 9.378 1.00 33.43 O ATOM 0 H GLU A 60 9.345 -7.541 5.164 1.00 63.22 H new ATOM 0 HA GLU A 60 8.937 -4.836 5.643 1.00 12.23 H new ATOM 0 HB2 GLU A 60 10.874 -6.734 6.994 1.00 64.54 H new ATOM 0 HB3 GLU A 60 10.431 -5.152 7.606 1.00 64.54 H new ATOM 0 HG2 GLU A 60 8.066 -5.879 7.784 1.00 35.34 H new ATOM 0 HG3 GLU A 60 8.500 -7.457 7.159 1.00 35.34 H new ATOM 905 N PRO A 61 12.182 -5.420 4.866 1.00 45.34 N ATOM 906 CA PRO A 61 13.354 -4.771 4.275 1.00 62.53 C ATOM 907 C PRO A 61 13.169 -4.476 2.784 1.00 41.35 C ATOM 908 O PRO A 61 13.590 -3.417 2.312 1.00 23.35 O ATOM 909 CB PRO A 61 14.490 -5.778 4.499 1.00 53.40 C ATOM 910 CG PRO A 61 13.804 -7.093 4.617 1.00 2.25 C ATOM 911 CD PRO A 61 12.489 -6.806 5.288 1.00 50.42 C ATOM 0 HA PRO A 61 13.548 -3.799 4.730 1.00 62.53 H new ATOM 0 HB2 PRO A 61 15.196 -5.772 3.668 1.00 53.40 H new ATOM 0 HB3 PRO A 61 15.056 -5.543 5.400 1.00 53.40 H new ATOM 0 HG2 PRO A 61 13.653 -7.545 3.637 1.00 2.25 H new ATOM 0 HG3 PRO A 61 14.398 -7.794 5.203 1.00 2.25 H new ATOM 0 HD2 PRO A 61 11.715 -7.504 4.969 1.00 50.42 H new ATOM 0 HD3 PRO A 61 12.565 -6.888 6.372 1.00 50.42 H new ATOM 919 N GLN A 62 12.536 -5.398 2.037 1.00 74.14 N ATOM 920 CA GLN A 62 12.367 -5.187 0.593 1.00 62.00 C ATOM 921 C GLN A 62 11.532 -3.933 0.309 1.00 40.41 C ATOM 922 O GLN A 62 11.898 -3.105 -0.529 1.00 71.44 O ATOM 923 CB GLN A 62 11.723 -6.404 -0.081 1.00 55.23 C ATOM 924 CG GLN A 62 12.531 -7.685 0.064 1.00 64.24 C ATOM 925 CD GLN A 62 12.097 -8.774 -0.901 1.00 65.22 C ATOM 926 OE1 GLN A 62 12.603 -8.863 -2.020 1.00 74.51 O ATOM 927 NE2 GLN A 62 11.161 -9.611 -0.477 1.00 33.22 N ATOM 0 H GLN A 62 12.145 -6.269 2.396 1.00 74.14 H new ATOM 0 HA GLN A 62 13.363 -5.047 0.173 1.00 62.00 H new ATOM 0 HB2 GLN A 62 10.732 -6.561 0.344 1.00 55.23 H new ATOM 0 HB3 GLN A 62 11.585 -6.190 -1.141 1.00 55.23 H new ATOM 0 HG2 GLN A 62 13.586 -7.463 -0.098 1.00 64.24 H new ATOM 0 HG3 GLN A 62 12.436 -8.054 1.085 1.00 64.24 H new ATOM 0 HE21 GLN A 62 10.766 -9.504 0.457 1.00 33.22 H new ATOM 0 HE22 GLN A 62 10.835 -10.362 -1.085 1.00 33.22 H new ATOM 936 N LEU A 63 10.422 -3.790 1.024 1.00 31.22 N ATOM 937 CA LEU A 63 9.503 -2.675 0.808 1.00 31.01 C ATOM 938 C LEU A 63 10.063 -1.385 1.393 1.00 53.40 C ATOM 939 O LEU A 63 9.887 -0.325 0.808 1.00 71.13 O ATOM 940 CB LEU A 63 8.121 -2.981 1.396 1.00 24.25 C ATOM 941 CG LEU A 63 7.378 -4.145 0.723 1.00 10.45 C ATOM 942 CD1 LEU A 63 6.053 -4.413 1.426 1.00 72.24 C ATOM 943 CD2 LEU A 63 7.164 -3.858 -0.763 1.00 30.22 C ATOM 0 H LEU A 63 10.135 -4.434 1.761 1.00 31.22 H new ATOM 0 HA LEU A 63 9.391 -2.539 -0.268 1.00 31.01 H new ATOM 0 HB2 LEU A 63 8.235 -3.206 2.457 1.00 24.25 H new ATOM 0 HB3 LEU A 63 7.505 -2.085 1.324 1.00 24.25 H new ATOM 0 HG LEU A 63 7.991 -5.042 0.808 1.00 10.45 H new ATOM 0 HD11 LEU A 63 5.541 -5.241 0.935 1.00 72.24 H new ATOM 0 HD12 LEU A 63 6.240 -4.669 2.469 1.00 72.24 H new ATOM 0 HD13 LEU A 63 5.429 -3.521 1.378 1.00 72.24 H new ATOM 0 HD21 LEU A 63 6.636 -4.694 -1.223 1.00 30.22 H new ATOM 0 HD22 LEU A 63 6.573 -2.949 -0.877 1.00 30.22 H new ATOM 0 HD23 LEU A 63 8.130 -3.726 -1.251 1.00 30.22 H new ATOM 955 N GLU A 64 10.732 -1.470 2.546 1.00 64.33 N ATOM 956 CA GLU A 64 11.449 -0.315 3.093 1.00 44.22 C ATOM 957 C GLU A 64 12.475 0.194 2.082 1.00 32.52 C ATOM 958 O GLU A 64 12.657 1.397 1.916 1.00 42.32 O ATOM 959 CB GLU A 64 12.130 -0.683 4.419 1.00 42.24 C ATOM 960 CG GLU A 64 11.220 -0.536 5.637 1.00 24.50 C ATOM 961 CD GLU A 64 11.319 0.842 6.283 1.00 25.23 C ATOM 962 OE1 GLU A 64 10.674 1.789 5.785 1.00 5.21 O ATOM 963 OE2 GLU A 64 12.059 0.984 7.287 1.00 33.05 O ATOM 0 H GLU A 64 10.792 -2.316 3.113 1.00 64.33 H new ATOM 0 HA GLU A 64 10.731 0.482 3.290 1.00 44.22 H new ATOM 0 HB2 GLU A 64 12.483 -1.713 4.362 1.00 42.24 H new ATOM 0 HB3 GLU A 64 13.008 -0.052 4.554 1.00 42.24 H new ATOM 0 HG2 GLU A 64 10.188 -0.719 5.338 1.00 24.50 H new ATOM 0 HG3 GLU A 64 11.479 -1.297 6.373 1.00 24.50 H new ATOM 970 N LYS A 65 13.116 -0.740 1.387 1.00 34.30 N ATOM 971 CA LYS A 65 14.086 -0.406 0.350 1.00 74.04 C ATOM 972 C LYS A 65 13.399 0.337 -0.797 1.00 24.34 C ATOM 973 O LYS A 65 13.786 1.461 -1.161 1.00 43.13 O ATOM 974 CB LYS A 65 14.766 -1.690 -0.155 1.00 73.22 C ATOM 975 CG LYS A 65 15.656 -1.495 -1.378 1.00 14.41 C ATOM 976 CD LYS A 65 16.455 -2.758 -1.696 1.00 71.14 C ATOM 977 CE LYS A 65 17.321 -2.594 -2.941 1.00 32.23 C ATOM 978 NZ LYS A 65 16.505 -2.366 -4.164 1.00 2.34 N ATOM 0 H LYS A 65 12.980 -1.741 1.525 1.00 34.30 H new ATOM 0 HA LYS A 65 14.849 0.251 0.767 1.00 74.04 H new ATOM 0 HB2 LYS A 65 15.366 -2.110 0.652 1.00 73.22 H new ATOM 0 HB3 LYS A 65 13.996 -2.424 -0.395 1.00 73.22 H new ATOM 0 HG2 LYS A 65 15.042 -1.226 -2.237 1.00 14.41 H new ATOM 0 HG3 LYS A 65 16.340 -0.665 -1.203 1.00 14.41 H new ATOM 0 HD2 LYS A 65 17.089 -3.009 -0.845 1.00 71.14 H new ATOM 0 HD3 LYS A 65 15.769 -3.593 -1.840 1.00 71.14 H new ATOM 0 HE2 LYS A 65 18.003 -1.756 -2.800 1.00 32.23 H new ATOM 0 HE3 LYS A 65 17.934 -3.485 -3.076 1.00 32.23 H new ATOM 0 HZ1 LYS A 65 17.111 -2.446 -5.005 1.00 2.34 H new ATOM 0 HZ2 LYS A 65 15.748 -3.077 -4.214 1.00 2.34 H new ATOM 0 HZ3 LYS A 65 16.085 -1.415 -4.129 1.00 2.34 H new ATOM 992 N LEU A 66 12.358 -0.285 -1.345 1.00 71.31 N ATOM 993 CA LEU A 66 11.611 0.308 -2.449 1.00 14.35 C ATOM 994 C LEU A 66 10.990 1.639 -2.029 1.00 4.14 C ATOM 995 O LEU A 66 10.866 2.557 -2.838 1.00 64.03 O ATOM 996 CB LEU A 66 10.519 -0.646 -2.960 1.00 22.31 C ATOM 997 CG LEU A 66 11.011 -1.991 -3.513 1.00 11.51 C ATOM 998 CD1 LEU A 66 9.876 -2.709 -4.235 1.00 24.02 C ATOM 999 CD2 LEU A 66 12.215 -1.802 -4.431 1.00 3.44 C ATOM 0 H LEU A 66 12.014 -1.197 -1.043 1.00 71.31 H new ATOM 0 HA LEU A 66 12.314 0.489 -3.262 1.00 14.35 H new ATOM 0 HB2 LEU A 66 9.824 -0.843 -2.144 1.00 22.31 H new ATOM 0 HB3 LEU A 66 9.956 -0.137 -3.742 1.00 22.31 H new ATOM 0 HG LEU A 66 11.334 -2.610 -2.676 1.00 11.51 H new ATOM 0 HD11 LEU A 66 10.237 -3.662 -4.623 1.00 24.02 H new ATOM 0 HD12 LEU A 66 9.057 -2.888 -3.538 1.00 24.02 H new ATOM 0 HD13 LEU A 66 9.522 -2.092 -5.061 1.00 24.02 H new ATOM 0 HD21 LEU A 66 12.541 -2.772 -4.807 1.00 3.44 H new ATOM 0 HD22 LEU A 66 11.937 -1.162 -5.269 1.00 3.44 H new ATOM 0 HD23 LEU A 66 13.028 -1.337 -3.874 1.00 3.44 H new ATOM 1011 N ALA A 67 10.623 1.738 -0.757 1.00 3.24 N ATOM 1012 CA ALA A 67 10.030 2.950 -0.212 1.00 3.03 C ATOM 1013 C ALA A 67 11.057 4.067 -0.197 1.00 12.33 C ATOM 1014 O ALA A 67 10.830 5.130 -0.751 1.00 51.03 O ATOM 1015 CB ALA A 67 9.484 2.705 1.193 1.00 3.12 C ATOM 0 H ALA A 67 10.728 0.984 -0.078 1.00 3.24 H new ATOM 0 HA ALA A 67 9.196 3.245 -0.849 1.00 3.03 H new ATOM 0 HB1 ALA A 67 9.046 3.626 1.579 1.00 3.12 H new ATOM 0 HB2 ALA A 67 8.721 1.928 1.156 1.00 3.12 H new ATOM 0 HB3 ALA A 67 10.295 2.387 1.848 1.00 3.12 H new ATOM 1021 N GLN A 68 12.206 3.801 0.412 1.00 42.53 N ATOM 1022 CA GLN A 68 13.269 4.798 0.523 1.00 2.15 C ATOM 1023 C GLN A 68 13.726 5.270 -0.859 1.00 54.41 C ATOM 1024 O GLN A 68 14.045 6.446 -1.053 1.00 75.31 O ATOM 1025 CB GLN A 68 14.452 4.236 1.326 1.00 42.35 C ATOM 1026 CG GLN A 68 14.099 3.902 2.773 1.00 50.44 C ATOM 1027 CD GLN A 68 15.274 3.348 3.565 1.00 73.12 C ATOM 1028 OE1 GLN A 68 16.185 2.729 3.007 1.00 43.41 O ATOM 1029 NE2 GLN A 68 15.251 3.545 4.875 1.00 41.23 N ATOM 0 H GLN A 68 12.428 2.901 0.838 1.00 42.53 H new ATOM 0 HA GLN A 68 12.870 5.661 1.056 1.00 2.15 H new ATOM 0 HB2 GLN A 68 14.821 3.337 0.833 1.00 42.35 H new ATOM 0 HB3 GLN A 68 15.265 4.962 1.317 1.00 42.35 H new ATOM 0 HG2 GLN A 68 13.728 4.801 3.266 1.00 50.44 H new ATOM 0 HG3 GLN A 68 13.287 3.175 2.783 1.00 50.44 H new ATOM 0 HE21 GLN A 68 14.481 4.062 5.300 1.00 41.23 H new ATOM 0 HE22 GLN A 68 16.003 3.180 5.459 1.00 41.23 H new ATOM 1038 N GLN A 69 13.745 4.353 -1.820 1.00 60.11 N ATOM 1039 CA GLN A 69 14.102 4.698 -3.197 1.00 43.34 C ATOM 1040 C GLN A 69 12.991 5.512 -3.876 1.00 71.10 C ATOM 1041 O GLN A 69 13.234 6.598 -4.407 1.00 31.01 O ATOM 1042 CB GLN A 69 14.393 3.423 -4.003 1.00 3.31 C ATOM 1043 CG GLN A 69 14.604 3.661 -5.497 1.00 43.10 C ATOM 1044 CD GLN A 69 15.705 4.667 -5.814 1.00 50.30 C ATOM 1045 OE1 GLN A 69 15.640 5.370 -6.821 1.00 4.12 O ATOM 1046 NE2 GLN A 69 16.727 4.742 -4.971 1.00 71.25 N ATOM 0 H GLN A 69 13.519 3.369 -1.675 1.00 60.11 H new ATOM 0 HA GLN A 69 14.999 5.316 -3.167 1.00 43.34 H new ATOM 0 HB2 GLN A 69 15.282 2.943 -3.594 1.00 3.31 H new ATOM 0 HB3 GLN A 69 13.565 2.726 -3.871 1.00 3.31 H new ATOM 0 HG2 GLN A 69 14.844 2.712 -5.976 1.00 43.10 H new ATOM 0 HG3 GLN A 69 13.669 4.011 -5.935 1.00 43.10 H new ATOM 0 HE21 GLN A 69 16.751 4.145 -4.144 1.00 71.25 H new ATOM 0 HE22 GLN A 69 17.488 5.397 -5.150 1.00 71.25 H new ATOM 1055 N TYR A 70 11.774 4.992 -3.825 1.00 52.32 N ATOM 1056 CA TYR A 70 10.650 5.534 -4.596 1.00 72.31 C ATOM 1057 C TYR A 70 9.800 6.518 -3.786 1.00 72.42 C ATOM 1058 O TYR A 70 8.781 6.997 -4.278 1.00 72.44 O ATOM 1059 CB TYR A 70 9.768 4.396 -5.126 1.00 31.21 C ATOM 1060 CG TYR A 70 10.459 3.483 -6.125 1.00 72.20 C ATOM 1061 CD1 TYR A 70 11.057 4.001 -7.271 1.00 25.25 C ATOM 1062 CD2 TYR A 70 10.501 2.105 -5.934 1.00 32.11 C ATOM 1063 CE1 TYR A 70 11.674 3.175 -8.192 1.00 31.32 C ATOM 1064 CE2 TYR A 70 11.121 1.274 -6.850 1.00 11.31 C ATOM 1065 CZ TYR A 70 11.704 1.814 -7.976 1.00 52.41 C ATOM 1066 OH TYR A 70 12.313 0.986 -8.898 1.00 53.41 O ATOM 0 H TYR A 70 11.531 4.184 -3.251 1.00 52.32 H new ATOM 0 HA TYR A 70 11.079 6.087 -5.432 1.00 72.31 H new ATOM 0 HB2 TYR A 70 9.422 3.797 -4.283 1.00 31.21 H new ATOM 0 HB3 TYR A 70 8.884 4.826 -5.596 1.00 31.21 H new ATOM 0 HD1 TYR A 70 11.038 5.067 -7.443 1.00 25.25 H new ATOM 0 HD2 TYR A 70 10.042 1.677 -5.055 1.00 32.11 H new ATOM 0 HE1 TYR A 70 12.130 3.594 -9.077 1.00 31.32 H new ATOM 0 HE2 TYR A 70 11.148 0.207 -6.683 1.00 11.31 H new ATOM 0 HH TYR A 70 11.632 0.583 -9.476 1.00 53.41 H new ATOM 1076 N THR A 71 10.222 6.828 -2.562 1.00 61.43 N ATOM 1077 CA THR A 71 9.401 7.589 -1.607 1.00 61.21 C ATOM 1078 C THR A 71 8.878 8.904 -2.190 1.00 41.33 C ATOM 1079 O THR A 71 7.869 9.437 -1.721 1.00 54.42 O ATOM 1080 CB THR A 71 10.194 7.905 -0.317 1.00 43.33 C ATOM 1081 OG1 THR A 71 9.316 8.423 0.694 1.00 75.13 O ATOM 1082 CG2 THR A 71 11.321 8.904 -0.580 1.00 35.31 C ATOM 0 H THR A 71 11.138 6.563 -2.200 1.00 61.43 H new ATOM 0 HA THR A 71 8.548 6.950 -1.378 1.00 61.21 H new ATOM 0 HB THR A 71 10.639 6.973 0.030 1.00 43.33 H new ATOM 0 HG1 THR A 71 9.360 7.852 1.489 1.00 75.13 H new ATOM 0 HG21 THR A 71 11.856 9.102 0.349 1.00 35.31 H new ATOM 0 HG22 THR A 71 12.011 8.489 -1.315 1.00 35.31 H new ATOM 0 HG23 THR A 71 10.901 9.834 -0.962 1.00 35.31 H new ATOM 1090 N GLU A 72 9.552 9.419 -3.210 1.00 23.30 N ATOM 1091 CA GLU A 72 9.141 10.668 -3.843 1.00 50.43 C ATOM 1092 C GLU A 72 7.771 10.516 -4.507 1.00 44.11 C ATOM 1093 O GLU A 72 6.995 11.469 -4.574 1.00 51.01 O ATOM 1094 CB GLU A 72 10.183 11.109 -4.876 1.00 41.51 C ATOM 1095 CG GLU A 72 11.582 11.273 -4.296 1.00 74.21 C ATOM 1096 CD GLU A 72 12.594 11.738 -5.328 1.00 24.11 C ATOM 1097 OE1 GLU A 72 13.054 10.905 -6.132 1.00 4.32 O ATOM 1098 OE2 GLU A 72 12.940 12.939 -5.333 1.00 52.11 O ATOM 0 H GLU A 72 10.385 8.993 -3.617 1.00 23.30 H new ATOM 0 HA GLU A 72 9.065 11.433 -3.070 1.00 50.43 H new ATOM 0 HB2 GLU A 72 10.216 10.376 -5.682 1.00 41.51 H new ATOM 0 HB3 GLU A 72 9.868 12.055 -5.317 1.00 41.51 H new ATOM 0 HG2 GLU A 72 11.549 11.991 -3.476 1.00 74.21 H new ATOM 0 HG3 GLU A 72 11.910 10.323 -3.874 1.00 74.21 H new ATOM 1105 N ASN A 73 7.481 9.313 -4.995 1.00 4.22 N ATOM 1106 CA ASN A 73 6.214 9.036 -5.673 1.00 34.51 C ATOM 1107 C ASN A 73 5.499 7.844 -5.029 1.00 10.21 C ATOM 1108 O ASN A 73 4.412 7.460 -5.458 1.00 12.31 O ATOM 1109 CB ASN A 73 6.455 8.759 -7.168 1.00 14.11 C ATOM 1110 CG ASN A 73 7.155 9.911 -7.879 1.00 43.45 C ATOM 1111 OD1 ASN A 73 6.514 10.860 -8.336 1.00 74.11 O ATOM 1112 ND2 ASN A 73 8.476 9.828 -7.994 1.00 63.22 N ATOM 0 H ASN A 73 8.108 8.510 -4.934 1.00 4.22 H new ATOM 0 HA ASN A 73 5.578 9.916 -5.573 1.00 34.51 H new ATOM 0 HB2 ASN A 73 7.056 7.855 -7.273 1.00 14.11 H new ATOM 0 HB3 ASN A 73 5.499 8.565 -7.655 1.00 14.11 H new ATOM 0 HD21 ASN A 73 8.994 10.565 -8.473 1.00 63.22 H new ATOM 0 HD22 ASN A 73 8.973 9.027 -7.603 1.00 63.22 H new ATOM 1119 N VAL A 74 6.116 7.264 -3.999 1.00 32.01 N ATOM 1120 CA VAL A 74 5.570 6.086 -3.318 1.00 33.42 C ATOM 1121 C VAL A 74 5.492 6.301 -1.807 1.00 71.24 C ATOM 1122 O VAL A 74 6.421 6.829 -1.193 1.00 13.12 O ATOM 1123 CB VAL A 74 6.432 4.826 -3.612 1.00 33.04 C ATOM 1124 CG1 VAL A 74 6.112 3.678 -2.653 1.00 13.40 C ATOM 1125 CG2 VAL A 74 6.249 4.379 -5.059 1.00 54.41 C ATOM 0 H VAL A 74 7.002 7.593 -3.614 1.00 32.01 H new ATOM 0 HA VAL A 74 4.562 5.932 -3.704 1.00 33.42 H new ATOM 0 HB VAL A 74 7.475 5.101 -3.456 1.00 33.04 H new ATOM 0 HG11 VAL A 74 6.737 2.818 -2.894 1.00 13.40 H new ATOM 0 HG12 VAL A 74 6.309 3.994 -1.629 1.00 13.40 H new ATOM 0 HG13 VAL A 74 5.062 3.403 -2.752 1.00 13.40 H new ATOM 0 HG21 VAL A 74 6.860 3.496 -5.247 1.00 54.41 H new ATOM 0 HG22 VAL A 74 5.200 4.139 -5.236 1.00 54.41 H new ATOM 0 HG23 VAL A 74 6.556 5.182 -5.729 1.00 54.41 H new ATOM 1135 N LYS A 75 4.369 5.897 -1.219 1.00 11.34 N ATOM 1136 CA LYS A 75 4.201 5.883 0.233 1.00 40.23 C ATOM 1137 C LYS A 75 3.406 4.649 0.644 1.00 35.31 C ATOM 1138 O LYS A 75 2.366 4.350 0.056 1.00 21.34 O ATOM 1139 CB LYS A 75 3.506 7.162 0.734 1.00 53.02 C ATOM 1140 CG LYS A 75 4.426 8.379 0.818 1.00 31.22 C ATOM 1141 CD LYS A 75 5.603 8.129 1.764 1.00 64.21 C ATOM 1142 CE LYS A 75 6.476 9.368 1.934 1.00 23.52 C ATOM 1143 NZ LYS A 75 7.028 9.848 0.640 1.00 62.34 N ATOM 0 H LYS A 75 3.551 5.571 -1.734 1.00 11.34 H new ATOM 0 HA LYS A 75 5.189 5.847 0.692 1.00 40.23 H new ATOM 0 HB2 LYS A 75 2.673 7.394 0.070 1.00 53.02 H new ATOM 0 HB3 LYS A 75 3.083 6.971 1.720 1.00 53.02 H new ATOM 0 HG2 LYS A 75 4.802 8.621 -0.176 1.00 31.22 H new ATOM 0 HG3 LYS A 75 3.858 9.243 1.163 1.00 31.22 H new ATOM 0 HD2 LYS A 75 5.225 7.816 2.737 1.00 64.21 H new ATOM 0 HD3 LYS A 75 6.209 7.309 1.379 1.00 64.21 H new ATOM 0 HE2 LYS A 75 5.889 10.163 2.394 1.00 23.52 H new ATOM 0 HE3 LYS A 75 7.296 9.142 2.615 1.00 23.52 H new ATOM 0 HZ1 LYS A 75 8.058 9.704 0.627 1.00 62.34 H new ATOM 0 HZ2 LYS A 75 6.594 9.316 -0.141 1.00 62.34 H new ATOM 0 HZ3 LYS A 75 6.819 10.860 0.527 1.00 62.34 H new ATOM 1157 N ILE A 76 3.909 3.930 1.642 1.00 33.32 N ATOM 1158 CA ILE A 76 3.274 2.701 2.112 1.00 31.42 C ATOM 1159 C ILE A 76 2.562 2.943 3.439 1.00 31.52 C ATOM 1160 O ILE A 76 3.044 3.701 4.285 1.00 21.31 O ATOM 1161 CB ILE A 76 4.310 1.559 2.279 1.00 24.23 C ATOM 1162 CG1 ILE A 76 5.083 1.345 0.963 1.00 63.41 C ATOM 1163 CG2 ILE A 76 3.628 0.266 2.725 1.00 54.24 C ATOM 1164 CD1 ILE A 76 6.161 0.279 1.038 1.00 22.32 C ATOM 0 H ILE A 76 4.761 4.179 2.145 1.00 33.32 H new ATOM 0 HA ILE A 76 2.545 2.399 1.360 1.00 31.42 H new ATOM 0 HB ILE A 76 5.020 1.847 3.055 1.00 24.23 H new ATOM 0 HG12 ILE A 76 4.375 1.075 0.179 1.00 63.41 H new ATOM 0 HG13 ILE A 76 5.541 2.289 0.667 1.00 63.41 H new ATOM 0 HG21 ILE A 76 4.375 -0.520 2.835 1.00 54.24 H new ATOM 0 HG22 ILE A 76 3.129 0.429 3.680 1.00 54.24 H new ATOM 0 HG23 ILE A 76 2.893 -0.034 1.978 1.00 54.24 H new ATOM 0 HD11 ILE A 76 6.655 0.193 0.070 1.00 22.32 H new ATOM 0 HD12 ILE A 76 6.894 0.555 1.796 1.00 22.32 H new ATOM 0 HD13 ILE A 76 5.709 -0.677 1.301 1.00 22.32 H new ATOM 1176 N TYR A 77 1.417 2.298 3.612 1.00 72.22 N ATOM 1177 CA TYR A 77 0.589 2.463 4.797 1.00 62.10 C ATOM 1178 C TYR A 77 0.189 1.101 5.352 1.00 71.33 C ATOM 1179 O TYR A 77 -0.061 0.160 4.595 1.00 51.23 O ATOM 1180 CB TYR A 77 -0.665 3.285 4.461 1.00 35.33 C ATOM 1181 CG TYR A 77 -0.375 4.744 4.145 1.00 60.21 C ATOM 1182 CD1 TYR A 77 0.024 5.142 2.872 1.00 5.22 C ATOM 1183 CD2 TYR A 77 -0.496 5.722 5.125 1.00 61.23 C ATOM 1184 CE1 TYR A 77 0.298 6.468 2.592 1.00 14.13 C ATOM 1185 CE2 TYR A 77 -0.227 7.049 4.849 1.00 51.12 C ATOM 1186 CZ TYR A 77 0.169 7.418 3.583 1.00 32.41 C ATOM 1187 OH TYR A 77 0.445 8.741 3.308 1.00 43.44 O ATOM 0 H TYR A 77 1.035 1.642 2.930 1.00 72.22 H new ATOM 0 HA TYR A 77 1.165 2.997 5.553 1.00 62.10 H new ATOM 0 HB2 TYR A 77 -1.168 2.831 3.607 1.00 35.33 H new ATOM 0 HB3 TYR A 77 -1.357 3.235 5.302 1.00 35.33 H new ATOM 0 HD1 TYR A 77 0.121 4.403 2.090 1.00 5.22 H new ATOM 0 HD2 TYR A 77 -0.806 5.440 6.120 1.00 61.23 H new ATOM 0 HE1 TYR A 77 0.612 6.759 1.600 1.00 14.13 H new ATOM 0 HE2 TYR A 77 -0.327 7.794 5.624 1.00 51.12 H new ATOM 0 HH TYR A 77 0.303 9.279 4.115 1.00 43.44 H new ATOM 1197 N LYS A 78 0.132 1.007 6.674 1.00 42.43 N ATOM 1198 CA LYS A 78 -0.244 -0.221 7.357 1.00 32.35 C ATOM 1199 C LYS A 78 -1.427 0.049 8.287 1.00 63.03 C ATOM 1200 O LYS A 78 -1.397 0.986 9.093 1.00 32.35 O ATOM 1201 CB LYS A 78 0.955 -0.778 8.152 1.00 52.44 C ATOM 1202 CG LYS A 78 1.484 0.170 9.229 1.00 43.25 C ATOM 1203 CD LYS A 78 2.642 -0.436 10.015 1.00 1.53 C ATOM 1204 CE LYS A 78 3.129 0.504 11.116 1.00 1.10 C ATOM 1205 NZ LYS A 78 3.649 1.790 10.570 1.00 4.02 N ATOM 0 H LYS A 78 0.346 1.782 7.302 1.00 42.43 H new ATOM 0 HA LYS A 78 -0.540 -0.966 6.618 1.00 32.35 H new ATOM 0 HB2 LYS A 78 0.661 -1.717 8.622 1.00 52.44 H new ATOM 0 HB3 LYS A 78 1.763 -1.008 7.457 1.00 52.44 H new ATOM 0 HG2 LYS A 78 1.811 1.099 8.763 1.00 43.25 H new ATOM 0 HG3 LYS A 78 0.676 0.424 9.915 1.00 43.25 H new ATOM 0 HD2 LYS A 78 2.327 -1.382 10.456 1.00 1.53 H new ATOM 0 HD3 LYS A 78 3.465 -0.659 9.336 1.00 1.53 H new ATOM 0 HE2 LYS A 78 2.310 0.709 11.805 1.00 1.10 H new ATOM 0 HE3 LYS A 78 3.913 0.012 11.691 1.00 1.10 H new ATOM 0 HZ1 LYS A 78 4.316 2.211 11.248 1.00 4.02 H new ATOM 0 HZ2 LYS A 78 4.137 1.612 9.669 1.00 4.02 H new ATOM 0 HZ3 LYS A 78 2.857 2.445 10.411 1.00 4.02 H new ATOM 1219 N ILE A 79 -2.480 -0.751 8.157 1.00 5.53 N ATOM 1220 CA ILE A 79 -3.640 -0.627 9.029 1.00 2.43 C ATOM 1221 C ILE A 79 -3.355 -1.314 10.366 1.00 15.43 C ATOM 1222 O ILE A 79 -3.275 -2.540 10.448 1.00 50.34 O ATOM 1223 CB ILE A 79 -4.925 -1.206 8.368 1.00 61.01 C ATOM 1224 CG1 ILE A 79 -6.111 -1.137 9.346 1.00 71.12 C ATOM 1225 CG2 ILE A 79 -4.701 -2.638 7.873 1.00 65.35 C ATOM 1226 CD1 ILE A 79 -7.430 -1.598 8.754 1.00 52.24 C ATOM 0 H ILE A 79 -2.553 -1.490 7.458 1.00 5.53 H new ATOM 0 HA ILE A 79 -3.824 0.433 9.204 1.00 2.43 H new ATOM 0 HB ILE A 79 -5.162 -0.594 7.498 1.00 61.01 H new ATOM 0 HG12 ILE A 79 -5.884 -1.748 10.219 1.00 71.12 H new ATOM 0 HG13 ILE A 79 -6.221 -0.110 9.695 1.00 71.12 H new ATOM 0 HG21 ILE A 79 -5.617 -3.013 7.417 1.00 65.35 H new ATOM 0 HG22 ILE A 79 -3.899 -2.647 7.135 1.00 65.35 H new ATOM 0 HG23 ILE A 79 -4.428 -3.275 8.714 1.00 65.35 H new ATOM 0 HD11 ILE A 79 -8.214 -1.518 9.507 1.00 52.24 H new ATOM 0 HD12 ILE A 79 -7.683 -0.972 7.898 1.00 52.24 H new ATOM 0 HD13 ILE A 79 -7.341 -2.635 8.431 1.00 52.24 H new ATOM 1238 N ASN A 80 -3.152 -0.514 11.405 1.00 73.40 N ATOM 1239 CA ASN A 80 -2.788 -1.043 12.720 1.00 2.31 C ATOM 1240 C ASN A 80 -4.028 -1.427 13.519 1.00 33.44 C ATOM 1241 O ASN A 80 -3.999 -2.369 14.315 1.00 33.30 O ATOM 1242 CB ASN A 80 -1.956 -0.013 13.498 1.00 0.32 C ATOM 1243 CG ASN A 80 -1.529 -0.512 14.875 1.00 31.15 C ATOM 1244 OD1 ASN A 80 -0.491 -1.157 15.021 1.00 33.43 O ATOM 1245 ND2 ASN A 80 -2.316 -0.202 15.899 1.00 44.25 N ATOM 0 H ASN A 80 -3.232 0.502 11.366 1.00 73.40 H new ATOM 0 HA ASN A 80 -2.189 -1.941 12.568 1.00 2.31 H new ATOM 0 HB2 ASN A 80 -1.069 0.242 12.918 1.00 0.32 H new ATOM 0 HB3 ASN A 80 -2.536 0.903 13.613 1.00 0.32 H new ATOM 0 HD21 ASN A 80 -2.067 -0.500 16.842 1.00 44.25 H new ATOM 0 HD22 ASN A 80 -3.169 0.334 15.742 1.00 44.25 H new ATOM 1252 N ILE A 81 -5.119 -0.700 13.300 1.00 41.21 N ATOM 1253 CA ILE A 81 -6.348 -0.925 14.053 1.00 50.01 C ATOM 1254 C ILE A 81 -7.129 -2.099 13.456 1.00 44.41 C ATOM 1255 O ILE A 81 -8.015 -1.919 12.613 1.00 34.31 O ATOM 1256 CB ILE A 81 -7.254 0.340 14.114 1.00 51.10 C ATOM 1257 CG1 ILE A 81 -6.506 1.548 14.723 1.00 64.31 C ATOM 1258 CG2 ILE A 81 -8.516 0.045 14.925 1.00 74.32 C ATOM 1259 CD1 ILE A 81 -5.447 2.161 13.826 1.00 5.00 C ATOM 0 H ILE A 81 -5.177 0.048 12.609 1.00 41.21 H new ATOM 0 HA ILE A 81 -6.054 -1.161 15.076 1.00 50.01 H new ATOM 0 HB ILE A 81 -7.531 0.598 13.092 1.00 51.10 H new ATOM 0 HG12 ILE A 81 -7.235 2.317 14.978 1.00 64.31 H new ATOM 0 HG13 ILE A 81 -6.035 1.233 15.654 1.00 64.31 H new ATOM 0 HG21 ILE A 81 -9.142 0.937 14.961 1.00 74.32 H new ATOM 0 HG22 ILE A 81 -9.069 -0.768 14.455 1.00 74.32 H new ATOM 0 HG23 ILE A 81 -8.238 -0.244 15.938 1.00 74.32 H new ATOM 0 HD11 ILE A 81 -4.978 3.001 14.339 1.00 5.00 H new ATOM 0 HD12 ILE A 81 -4.692 1.411 13.590 1.00 5.00 H new ATOM 0 HD13 ILE A 81 -5.910 2.512 12.904 1.00 5.00 H new ATOM 1271 N GLU A 82 -6.775 -3.302 13.898 1.00 11.12 N ATOM 1272 CA GLU A 82 -7.395 -4.540 13.422 1.00 62.33 C ATOM 1273 C GLU A 82 -8.907 -4.524 13.644 1.00 42.25 C ATOM 1274 O GLU A 82 -9.662 -5.163 12.908 1.00 51.42 O ATOM 1275 CB GLU A 82 -6.777 -5.756 14.139 1.00 51.04 C ATOM 1276 CG GLU A 82 -7.104 -5.856 15.635 1.00 33.20 C ATOM 1277 CD GLU A 82 -6.484 -4.744 16.475 1.00 2.42 C ATOM 1278 OE1 GLU A 82 -7.095 -3.658 16.591 1.00 63.32 O ATOM 1279 OE2 GLU A 82 -5.378 -4.949 17.020 1.00 24.11 O ATOM 0 H GLU A 82 -6.048 -3.449 14.598 1.00 11.12 H new ATOM 0 HA GLU A 82 -7.206 -4.617 12.351 1.00 62.33 H new ATOM 0 HB2 GLU A 82 -7.121 -6.665 13.645 1.00 51.04 H new ATOM 0 HB3 GLU A 82 -5.694 -5.719 14.020 1.00 51.04 H new ATOM 0 HG2 GLU A 82 -8.186 -5.835 15.763 1.00 33.20 H new ATOM 0 HG3 GLU A 82 -6.757 -6.819 16.010 1.00 33.20 H new ATOM 1286 N ASP A 83 -9.340 -3.778 14.652 1.00 23.32 N ATOM 1287 CA ASP A 83 -10.752 -3.708 15.018 1.00 73.14 C ATOM 1288 C ASP A 83 -11.551 -2.929 13.976 1.00 41.20 C ATOM 1289 O ASP A 83 -12.763 -3.103 13.846 1.00 15.22 O ATOM 1290 CB ASP A 83 -10.892 -3.053 16.397 1.00 10.40 C ATOM 1291 CG ASP A 83 -12.336 -2.955 16.866 1.00 20.34 C ATOM 1292 OD1 ASP A 83 -12.917 -3.996 17.242 1.00 75.44 O ATOM 1293 OD2 ASP A 83 -12.892 -1.836 16.874 1.00 10.40 O ATOM 0 H ASP A 83 -8.729 -3.208 15.236 1.00 23.32 H new ATOM 0 HA ASP A 83 -11.153 -4.721 15.056 1.00 73.14 H new ATOM 0 HB2 ASP A 83 -10.318 -3.626 17.125 1.00 10.40 H new ATOM 0 HB3 ASP A 83 -10.458 -2.054 16.364 1.00 10.40 H new ATOM 1298 N ASN A 84 -10.861 -2.090 13.210 1.00 55.50 N ATOM 1299 CA ASN A 84 -11.506 -1.289 12.172 1.00 72.10 C ATOM 1300 C ASN A 84 -11.031 -1.733 10.795 1.00 2.34 C ATOM 1301 O ASN A 84 -10.808 -0.916 9.903 1.00 64.55 O ATOM 1302 CB ASN A 84 -11.235 0.210 12.387 1.00 22.41 C ATOM 1303 CG ASN A 84 -11.969 0.766 13.600 1.00 34.42 C ATOM 1304 OD1 ASN A 84 -11.436 0.786 14.709 1.00 50.14 O ATOM 1305 ND2 ASN A 84 -13.198 1.221 13.399 1.00 62.44 N ATOM 0 H ASN A 84 -9.854 -1.946 13.288 1.00 55.50 H new ATOM 0 HA ASN A 84 -12.583 -1.445 12.235 1.00 72.10 H new ATOM 0 HB2 ASN A 84 -10.164 0.368 12.510 1.00 22.41 H new ATOM 0 HB3 ASN A 84 -11.539 0.762 11.498 1.00 22.41 H new ATOM 0 HD21 ASN A 84 -13.734 1.604 14.178 1.00 62.44 H new ATOM 0 HD22 ASN A 84 -13.608 1.188 12.465 1.00 62.44 H new ATOM 1312 N GLN A 85 -10.914 -3.047 10.617 1.00 25.51 N ATOM 1313 CA GLN A 85 -10.497 -3.627 9.338 1.00 22.53 C ATOM 1314 C GLN A 85 -11.671 -3.697 8.353 1.00 25.42 C ATOM 1315 O GLN A 85 -11.643 -4.477 7.399 1.00 24.23 O ATOM 1316 CB GLN A 85 -9.909 -5.031 9.556 1.00 34.21 C ATOM 1317 CG GLN A 85 -10.907 -6.037 10.127 1.00 2.44 C ATOM 1318 CD GLN A 85 -10.328 -7.435 10.293 1.00 4.40 C ATOM 1319 OE1 GLN A 85 -10.727 -8.179 11.189 1.00 12.30 O ATOM 1320 NE2 GLN A 85 -9.390 -7.808 9.431 1.00 74.32 N ATOM 0 H GLN A 85 -11.103 -3.735 11.346 1.00 25.51 H new ATOM 0 HA GLN A 85 -9.731 -2.981 8.910 1.00 22.53 H new ATOM 0 HB2 GLN A 85 -9.531 -5.408 8.606 1.00 34.21 H new ATOM 0 HB3 GLN A 85 -9.056 -4.957 10.231 1.00 34.21 H new ATOM 0 HG2 GLN A 85 -11.258 -5.680 11.095 1.00 2.44 H new ATOM 0 HG3 GLN A 85 -11.776 -6.087 9.471 1.00 2.44 H new ATOM 0 HE21 GLN A 85 -9.084 -7.165 8.701 1.00 74.32 H new ATOM 0 HE22 GLN A 85 -8.976 -8.738 9.499 1.00 74.32 H new ATOM 1329 N ASP A 86 -12.685 -2.858 8.575 1.00 33.24 N ATOM 1330 CA ASP A 86 -13.881 -2.822 7.728 1.00 53.32 C ATOM 1331 C ASP A 86 -13.499 -2.633 6.262 1.00 12.14 C ATOM 1332 O ASP A 86 -14.111 -3.221 5.368 1.00 22.04 O ATOM 1333 CB ASP A 86 -14.823 -1.699 8.187 1.00 33.20 C ATOM 1334 CG ASP A 86 -16.147 -1.694 7.436 1.00 23.25 C ATOM 1335 OD1 ASP A 86 -16.917 -2.666 7.580 1.00 35.53 O ATOM 1336 OD2 ASP A 86 -16.429 -0.717 6.707 1.00 2.53 O ATOM 0 H ASP A 86 -12.701 -2.187 9.343 1.00 33.24 H new ATOM 0 HA ASP A 86 -14.401 -3.775 7.824 1.00 53.32 H new ATOM 0 HB2 ASP A 86 -15.017 -1.807 9.254 1.00 33.20 H new ATOM 0 HB3 ASP A 86 -14.329 -0.737 8.049 1.00 33.20 H new ATOM 1341 N VAL A 87 -12.450 -1.842 6.035 1.00 11.31 N ATOM 1342 CA VAL A 87 -11.921 -1.603 4.690 1.00 14.32 C ATOM 1343 C VAL A 87 -11.638 -2.929 3.981 1.00 22.43 C ATOM 1344 O VAL A 87 -11.924 -3.090 2.793 1.00 43.44 O ATOM 1345 CB VAL A 87 -10.606 -0.778 4.744 1.00 71.34 C ATOM 1346 CG1 VAL A 87 -10.100 -0.457 3.340 1.00 50.15 C ATOM 1347 CG2 VAL A 87 -10.797 0.501 5.553 1.00 70.40 C ATOM 0 H VAL A 87 -11.945 -1.351 6.773 1.00 11.31 H new ATOM 0 HA VAL A 87 -12.676 -1.042 4.139 1.00 14.32 H new ATOM 0 HB VAL A 87 -9.852 -1.387 5.243 1.00 71.34 H new ATOM 0 HG11 VAL A 87 -9.178 0.121 3.409 1.00 50.15 H new ATOM 0 HG12 VAL A 87 -9.907 -1.385 2.802 1.00 50.15 H new ATOM 0 HG13 VAL A 87 -10.853 0.122 2.806 1.00 50.15 H new ATOM 0 HG21 VAL A 87 -9.862 1.060 5.575 1.00 70.40 H new ATOM 0 HG22 VAL A 87 -11.574 1.111 5.091 1.00 70.40 H new ATOM 0 HG23 VAL A 87 -11.092 0.247 6.571 1.00 70.40 H new ATOM 1357 N ALA A 88 -11.099 -3.884 4.732 1.00 25.03 N ATOM 1358 CA ALA A 88 -10.749 -5.189 4.186 1.00 51.33 C ATOM 1359 C ALA A 88 -11.997 -5.916 3.698 1.00 43.41 C ATOM 1360 O ALA A 88 -12.083 -6.317 2.536 1.00 43.22 O ATOM 1361 CB ALA A 88 -10.017 -6.025 5.232 1.00 60.20 C ATOM 0 H ALA A 88 -10.895 -3.777 5.726 1.00 25.03 H new ATOM 0 HA ALA A 88 -10.083 -5.041 3.336 1.00 51.33 H new ATOM 0 HB1 ALA A 88 -9.763 -6.997 4.808 1.00 60.20 H new ATOM 0 HB2 ALA A 88 -9.105 -5.511 5.535 1.00 60.20 H new ATOM 0 HB3 ALA A 88 -10.660 -6.165 6.101 1.00 60.20 H new ATOM 1367 N THR A 89 -12.975 -6.048 4.585 1.00 11.24 N ATOM 1368 CA THR A 89 -14.207 -6.755 4.272 1.00 1.01 C ATOM 1369 C THR A 89 -14.970 -6.054 3.140 1.00 22.13 C ATOM 1370 O THR A 89 -15.671 -6.698 2.353 1.00 73.44 O ATOM 1371 CB THR A 89 -15.095 -6.871 5.530 1.00 44.21 C ATOM 1372 OG1 THR A 89 -14.310 -7.380 6.623 1.00 55.24 O ATOM 1373 CG2 THR A 89 -16.288 -7.792 5.289 1.00 22.33 C ATOM 0 H THR A 89 -12.937 -5.672 5.532 1.00 11.24 H new ATOM 0 HA THR A 89 -13.947 -7.758 3.934 1.00 1.01 H new ATOM 0 HB THR A 89 -15.477 -5.878 5.770 1.00 44.21 H new ATOM 0 HG1 THR A 89 -14.871 -7.453 7.423 1.00 55.24 H new ATOM 0 HG21 THR A 89 -16.891 -7.851 6.195 1.00 22.33 H new ATOM 0 HG22 THR A 89 -16.894 -7.396 4.474 1.00 22.33 H new ATOM 0 HG23 THR A 89 -15.932 -8.788 5.026 1.00 22.33 H new ATOM 1381 N GLN A 90 -14.809 -4.734 3.047 1.00 75.54 N ATOM 1382 CA GLN A 90 -15.444 -3.955 1.988 1.00 20.33 C ATOM 1383 C GLN A 90 -14.826 -4.269 0.625 1.00 74.52 C ATOM 1384 O GLN A 90 -15.532 -4.666 -0.308 1.00 31.40 O ATOM 1385 CB GLN A 90 -15.351 -2.452 2.287 1.00 35.33 C ATOM 1386 CG GLN A 90 -16.214 -2.009 3.463 1.00 41.11 C ATOM 1387 CD GLN A 90 -17.666 -2.415 3.293 1.00 23.44 C ATOM 1388 OE1 GLN A 90 -18.453 -1.708 2.663 1.00 13.23 O ATOM 1389 NE2 GLN A 90 -18.037 -3.550 3.862 1.00 2.44 N ATOM 0 H GLN A 90 -14.244 -4.183 3.693 1.00 75.54 H new ATOM 0 HA GLN A 90 -16.497 -4.236 1.954 1.00 20.33 H new ATOM 0 HB2 GLN A 90 -14.312 -2.195 2.492 1.00 35.33 H new ATOM 0 HB3 GLN A 90 -15.648 -1.894 1.399 1.00 35.33 H new ATOM 0 HG2 GLN A 90 -15.822 -2.443 4.383 1.00 41.11 H new ATOM 0 HG3 GLN A 90 -16.151 -0.926 3.570 1.00 41.11 H new ATOM 0 HE21 GLN A 90 -17.356 -4.109 4.376 1.00 2.44 H new ATOM 0 HE22 GLN A 90 -19.004 -3.866 3.787 1.00 2.44 H new ATOM 1398 N TYR A 91 -13.511 -4.105 0.512 1.00 31.04 N ATOM 1399 CA TYR A 91 -12.807 -4.366 -0.746 1.00 24.04 C ATOM 1400 C TYR A 91 -12.664 -5.870 -1.000 1.00 42.10 C ATOM 1401 O TYR A 91 -12.264 -6.291 -2.087 1.00 34.52 O ATOM 1402 CB TYR A 91 -11.435 -3.672 -0.753 1.00 0.34 C ATOM 1403 CG TYR A 91 -11.528 -2.160 -0.887 1.00 40.31 C ATOM 1404 CD1 TYR A 91 -11.674 -1.344 0.231 1.00 22.42 C ATOM 1405 CD2 TYR A 91 -11.480 -1.551 -2.138 1.00 22.44 C ATOM 1406 CE1 TYR A 91 -11.768 0.030 0.107 1.00 71.01 C ATOM 1407 CE2 TYR A 91 -11.571 -0.178 -2.268 1.00 12.34 C ATOM 1408 CZ TYR A 91 -11.715 0.609 -1.143 1.00 74.12 C ATOM 1409 OH TYR A 91 -11.812 1.978 -1.275 1.00 50.05 O ATOM 0 H TYR A 91 -12.909 -3.793 1.274 1.00 31.04 H new ATOM 0 HA TYR A 91 -13.403 -3.950 -1.558 1.00 24.04 H new ATOM 0 HB2 TYR A 91 -10.907 -3.917 0.169 1.00 0.34 H new ATOM 0 HB3 TYR A 91 -10.840 -4.067 -1.576 1.00 0.34 H new ATOM 0 HD1 TYR A 91 -11.715 -1.792 1.213 1.00 22.42 H new ATOM 0 HD2 TYR A 91 -11.370 -2.162 -3.022 1.00 22.44 H new ATOM 0 HE1 TYR A 91 -11.882 0.647 0.986 1.00 71.01 H new ATOM 0 HE2 TYR A 91 -11.530 0.278 -3.246 1.00 12.34 H new ATOM 0 HH TYR A 91 -11.755 2.220 -2.223 1.00 50.05 H new ATOM 1419 N GLY A 92 -13.000 -6.675 0.006 1.00 1.44 N ATOM 1420 CA GLY A 92 -13.027 -8.118 -0.166 1.00 41.21 C ATOM 1421 C GLY A 92 -11.652 -8.739 -0.062 1.00 74.25 C ATOM 1422 O GLY A 92 -11.267 -9.572 -0.888 1.00 63.33 O ATOM 0 H GLY A 92 -13.255 -6.352 0.939 1.00 1.44 H new ATOM 0 HA2 GLY A 92 -13.679 -8.558 0.588 1.00 41.21 H new ATOM 0 HA3 GLY A 92 -13.458 -8.357 -1.138 1.00 41.21 H new ATOM 1426 N VAL A 93 -10.903 -8.318 0.943 1.00 11.14 N ATOM 1427 CA VAL A 93 -9.588 -8.873 1.215 1.00 0.13 C ATOM 1428 C VAL A 93 -9.738 -10.234 1.895 1.00 71.24 C ATOM 1429 O VAL A 93 -10.091 -10.311 3.075 1.00 21.32 O ATOM 1430 CB VAL A 93 -8.757 -7.919 2.109 1.00 5.42 C ATOM 1431 CG1 VAL A 93 -7.402 -8.529 2.452 1.00 44.54 C ATOM 1432 CG2 VAL A 93 -8.585 -6.562 1.428 1.00 73.22 C ATOM 0 H VAL A 93 -11.188 -7.584 1.592 1.00 11.14 H new ATOM 0 HA VAL A 93 -9.059 -8.995 0.270 1.00 0.13 H new ATOM 0 HB VAL A 93 -9.300 -7.770 3.042 1.00 5.42 H new ATOM 0 HG11 VAL A 93 -6.840 -7.838 3.080 1.00 44.54 H new ATOM 0 HG12 VAL A 93 -7.550 -9.467 2.987 1.00 44.54 H new ATOM 0 HG13 VAL A 93 -6.846 -8.719 1.534 1.00 44.54 H new ATOM 0 HG21 VAL A 93 -7.999 -5.904 2.070 1.00 73.22 H new ATOM 0 HG22 VAL A 93 -8.069 -6.695 0.477 1.00 73.22 H new ATOM 0 HG23 VAL A 93 -9.564 -6.117 1.250 1.00 73.22 H new ATOM 1442 N SER A 94 -9.521 -11.302 1.131 1.00 1.54 N ATOM 1443 CA SER A 94 -9.657 -12.661 1.642 1.00 65.14 C ATOM 1444 C SER A 94 -8.345 -13.108 2.291 1.00 65.41 C ATOM 1445 O SER A 94 -8.329 -13.546 3.444 1.00 50.13 O ATOM 1446 CB SER A 94 -10.060 -13.609 0.503 1.00 23.31 C ATOM 1447 OG SER A 94 -10.396 -14.896 0.989 1.00 10.43 O ATOM 0 H SER A 94 -9.248 -11.250 0.149 1.00 1.54 H new ATOM 0 HA SER A 94 -10.439 -12.687 2.401 1.00 65.14 H new ATOM 0 HB2 SER A 94 -10.910 -13.190 -0.036 1.00 23.31 H new ATOM 0 HB3 SER A 94 -9.239 -13.692 -0.210 1.00 23.31 H new ATOM 0 HG SER A 94 -10.649 -15.473 0.239 1.00 10.43 H new ATOM 1453 N ALA A 95 -7.245 -12.976 1.549 1.00 73.20 N ATOM 1454 CA ALA A 95 -5.920 -13.306 2.064 1.00 24.12 C ATOM 1455 C ALA A 95 -5.506 -12.296 3.134 1.00 34.41 C ATOM 1456 O ALA A 95 -5.933 -11.142 3.096 1.00 15.00 O ATOM 1457 CB ALA A 95 -4.904 -13.334 0.925 1.00 13.11 C ATOM 0 H ALA A 95 -7.248 -12.641 0.586 1.00 73.20 H new ATOM 0 HA ALA A 95 -5.952 -14.296 2.519 1.00 24.12 H new ATOM 0 HB1 ALA A 95 -3.919 -13.581 1.322 1.00 13.11 H new ATOM 0 HB2 ALA A 95 -5.199 -14.085 0.192 1.00 13.11 H new ATOM 0 HB3 ALA A 95 -4.867 -12.355 0.446 1.00 13.11 H new ATOM 1463 N ILE A 96 -4.684 -12.727 4.084 1.00 0.05 N ATOM 1464 CA ILE A 96 -4.258 -11.852 5.172 1.00 54.54 C ATOM 1465 C ILE A 96 -3.248 -10.800 4.676 1.00 50.04 C ATOM 1466 O ILE A 96 -3.525 -9.603 4.754 1.00 43.32 O ATOM 1467 CB ILE A 96 -3.663 -12.652 6.364 1.00 15.53 C ATOM 1468 CG1 ILE A 96 -4.688 -13.673 6.894 1.00 22.21 C ATOM 1469 CG2 ILE A 96 -3.212 -11.703 7.480 1.00 64.42 C ATOM 1470 CD1 ILE A 96 -4.163 -14.541 8.021 1.00 23.22 C ATOM 0 H ILE A 96 -4.301 -13.671 4.124 1.00 0.05 H new ATOM 0 HA ILE A 96 -5.149 -11.337 5.530 1.00 54.54 H new ATOM 0 HB ILE A 96 -2.789 -13.199 6.010 1.00 15.53 H new ATOM 0 HG12 ILE A 96 -5.572 -13.139 7.242 1.00 22.21 H new ATOM 0 HG13 ILE A 96 -5.006 -14.314 6.072 1.00 22.21 H new ATOM 0 HG21 ILE A 96 -2.798 -12.282 8.305 1.00 64.42 H new ATOM 0 HG22 ILE A 96 -2.450 -11.025 7.095 1.00 64.42 H new ATOM 0 HG23 ILE A 96 -4.066 -11.126 7.834 1.00 64.42 H new ATOM 0 HD11 ILE A 96 -4.942 -15.234 8.340 1.00 23.22 H new ATOM 0 HD12 ILE A 96 -3.297 -15.104 7.673 1.00 23.22 H new ATOM 0 HD13 ILE A 96 -3.872 -13.910 8.861 1.00 23.22 H new ATOM 1482 N PRO A 97 -2.081 -11.214 4.120 1.00 10.25 N ATOM 1483 CA PRO A 97 -1.052 -10.267 3.681 1.00 3.53 C ATOM 1484 C PRO A 97 -1.343 -9.710 2.286 1.00 42.13 C ATOM 1485 O PRO A 97 -0.590 -9.943 1.338 1.00 24.24 O ATOM 1486 CB PRO A 97 0.214 -11.130 3.686 1.00 64.15 C ATOM 1487 CG PRO A 97 -0.267 -12.495 3.312 1.00 20.22 C ATOM 1488 CD PRO A 97 -1.676 -12.614 3.848 1.00 40.12 C ATOM 0 HA PRO A 97 -0.983 -9.384 4.317 1.00 3.53 H new ATOM 0 HB2 PRO A 97 0.951 -10.759 2.974 1.00 64.15 H new ATOM 0 HB3 PRO A 97 0.691 -11.131 4.666 1.00 64.15 H new ATOM 0 HG2 PRO A 97 -0.250 -12.630 2.230 1.00 20.22 H new ATOM 0 HG3 PRO A 97 0.377 -13.264 3.739 1.00 20.22 H new ATOM 0 HD2 PRO A 97 -2.339 -13.087 3.124 1.00 40.12 H new ATOM 0 HD3 PRO A 97 -1.708 -13.221 4.753 1.00 40.12 H new ATOM 1496 N THR A 98 -2.448 -8.986 2.165 1.00 22.02 N ATOM 1497 CA THR A 98 -2.851 -8.404 0.890 1.00 72.23 C ATOM 1498 C THR A 98 -2.488 -6.917 0.841 1.00 3.30 C ATOM 1499 O THR A 98 -2.511 -6.229 1.865 1.00 3.33 O ATOM 1500 CB THR A 98 -4.369 -8.588 0.654 1.00 75.41 C ATOM 1501 OG1 THR A 98 -4.718 -9.971 0.812 1.00 34.34 O ATOM 1502 CG2 THR A 98 -4.779 -8.124 -0.741 1.00 53.30 C ATOM 0 H THR A 98 -3.084 -8.787 2.937 1.00 22.02 H new ATOM 0 HA THR A 98 -2.313 -8.925 0.097 1.00 72.23 H new ATOM 0 HB THR A 98 -4.897 -7.979 1.387 1.00 75.41 H new ATOM 0 HG1 THR A 98 -5.136 -10.105 1.688 1.00 34.34 H new ATOM 0 HG21 THR A 98 -5.852 -8.268 -0.872 1.00 53.30 H new ATOM 0 HG22 THR A 98 -4.538 -7.068 -0.859 1.00 53.30 H new ATOM 0 HG23 THR A 98 -4.241 -8.705 -1.490 1.00 53.30 H new ATOM 1510 N ILE A 99 -2.126 -6.440 -0.347 1.00 30.13 N ATOM 1511 CA ILE A 99 -1.770 -5.042 -0.553 1.00 64.04 C ATOM 1512 C ILE A 99 -2.818 -4.352 -1.424 1.00 40.21 C ATOM 1513 O ILE A 99 -3.092 -4.792 -2.543 1.00 22.21 O ATOM 1514 CB ILE A 99 -0.376 -4.889 -1.232 1.00 61.23 C ATOM 1515 CG1 ILE A 99 0.754 -5.401 -0.321 1.00 3.14 C ATOM 1516 CG2 ILE A 99 -0.119 -3.431 -1.622 1.00 14.34 C ATOM 1517 CD1 ILE A 99 0.811 -6.907 -0.152 1.00 73.23 C ATOM 0 H ILE A 99 -2.072 -7.011 -1.191 1.00 30.13 H new ATOM 0 HA ILE A 99 -1.729 -4.576 0.431 1.00 64.04 H new ATOM 0 HB ILE A 99 -0.385 -5.499 -2.136 1.00 61.23 H new ATOM 0 HG12 ILE A 99 1.708 -5.060 -0.724 1.00 3.14 H new ATOM 0 HG13 ILE A 99 0.642 -4.944 0.662 1.00 3.14 H new ATOM 0 HG21 ILE A 99 0.860 -3.348 -2.094 1.00 14.34 H new ATOM 0 HG22 ILE A 99 -0.888 -3.100 -2.320 1.00 14.34 H new ATOM 0 HG23 ILE A 99 -0.146 -2.806 -0.730 1.00 14.34 H new ATOM 0 HD11 ILE A 99 1.639 -7.168 0.506 1.00 73.23 H new ATOM 0 HD12 ILE A 99 -0.124 -7.260 0.284 1.00 73.23 H new ATOM 0 HD13 ILE A 99 0.958 -7.377 -1.124 1.00 73.23 H new ATOM 1529 N LEU A 100 -3.409 -3.285 -0.904 1.00 64.43 N ATOM 1530 CA LEU A 100 -4.330 -2.459 -1.676 1.00 33.22 C ATOM 1531 C LEU A 100 -3.552 -1.310 -2.308 1.00 13.14 C ATOM 1532 O LEU A 100 -2.897 -0.550 -1.598 1.00 22.20 O ATOM 1533 CB LEU A 100 -5.436 -1.890 -0.770 1.00 31.40 C ATOM 1534 CG LEU A 100 -6.279 -2.925 -0.010 1.00 42.41 C ATOM 1535 CD1 LEU A 100 -7.310 -2.231 0.879 1.00 23.25 C ATOM 1536 CD2 LEU A 100 -6.965 -3.882 -0.980 1.00 61.00 C ATOM 0 H LEU A 100 -3.266 -2.969 0.055 1.00 64.43 H new ATOM 0 HA LEU A 100 -4.795 -3.071 -2.449 1.00 33.22 H new ATOM 0 HB2 LEU A 100 -4.975 -1.221 -0.043 1.00 31.40 H new ATOM 0 HB3 LEU A 100 -6.104 -1.284 -1.382 1.00 31.40 H new ATOM 0 HG LEU A 100 -5.611 -3.506 0.627 1.00 42.41 H new ATOM 0 HD11 LEU A 100 -7.897 -2.981 1.409 1.00 23.25 H new ATOM 0 HD12 LEU A 100 -6.798 -1.594 1.601 1.00 23.25 H new ATOM 0 HD13 LEU A 100 -7.971 -1.622 0.262 1.00 23.25 H new ATOM 0 HD21 LEU A 100 -7.556 -4.606 -0.420 1.00 61.00 H new ATOM 0 HD22 LEU A 100 -7.618 -3.318 -1.647 1.00 61.00 H new ATOM 0 HD23 LEU A 100 -6.212 -4.406 -1.568 1.00 61.00 H new ATOM 1548 N MET A 101 -3.607 -1.179 -3.629 1.00 44.32 N ATOM 1549 CA MET A 101 -2.916 -0.087 -4.306 1.00 3.34 C ATOM 1550 C MET A 101 -3.898 1.042 -4.599 1.00 70.31 C ATOM 1551 O MET A 101 -5.064 0.791 -4.906 1.00 11.40 O ATOM 1552 CB MET A 101 -2.261 -0.574 -5.612 1.00 64.42 C ATOM 1553 CG MET A 101 -1.334 -1.773 -5.437 1.00 61.41 C ATOM 1554 SD MET A 101 -0.234 -2.006 -6.844 1.00 41.32 S ATOM 1555 CE MET A 101 0.738 -0.499 -6.764 1.00 14.05 C ATOM 0 H MET A 101 -4.118 -1.809 -4.248 1.00 44.32 H new ATOM 0 HA MET A 101 -2.128 0.282 -3.650 1.00 3.34 H new ATOM 0 HB2 MET A 101 -3.045 -0.836 -6.323 1.00 64.42 H new ATOM 0 HB3 MET A 101 -1.695 0.248 -6.050 1.00 64.42 H new ATOM 0 HG2 MET A 101 -0.739 -1.639 -4.533 1.00 61.41 H new ATOM 0 HG3 MET A 101 -1.932 -2.673 -5.295 1.00 61.41 H new ATOM 0 HE1 MET A 101 1.780 -0.726 -6.989 1.00 14.05 H new ATOM 0 HE2 MET A 101 0.358 0.218 -7.491 1.00 14.05 H new ATOM 0 HE3 MET A 101 0.667 -0.073 -5.763 1.00 14.05 H new ATOM 1565 N PHE A 102 -3.426 2.280 -4.486 1.00 11.14 N ATOM 1566 CA PHE A 102 -4.212 3.466 -4.833 1.00 64.11 C ATOM 1567 C PHE A 102 -3.278 4.562 -5.331 1.00 54.15 C ATOM 1568 O PHE A 102 -2.075 4.503 -5.092 1.00 72.33 O ATOM 1569 CB PHE A 102 -5.022 3.972 -3.627 1.00 4.30 C ATOM 1570 CG PHE A 102 -6.144 3.049 -3.210 1.00 34.23 C ATOM 1571 CD1 PHE A 102 -7.376 3.100 -3.848 1.00 11.32 C ATOM 1572 CD2 PHE A 102 -5.965 2.127 -2.187 1.00 63.14 C ATOM 1573 CE1 PHE A 102 -8.403 2.254 -3.474 1.00 52.25 C ATOM 1574 CE2 PHE A 102 -6.989 1.279 -1.813 1.00 51.11 C ATOM 1575 CZ PHE A 102 -8.209 1.343 -2.455 1.00 75.40 C ATOM 0 H PHE A 102 -2.486 2.492 -4.151 1.00 11.14 H new ATOM 0 HA PHE A 102 -4.918 3.196 -5.619 1.00 64.11 H new ATOM 0 HB2 PHE A 102 -4.348 4.112 -2.782 1.00 4.30 H new ATOM 0 HB3 PHE A 102 -5.440 4.950 -3.867 1.00 4.30 H new ATOM 0 HD1 PHE A 102 -7.534 3.810 -4.647 1.00 11.32 H new ATOM 0 HD2 PHE A 102 -5.014 2.072 -1.678 1.00 63.14 H new ATOM 0 HE1 PHE A 102 -9.357 2.306 -3.979 1.00 52.25 H new ATOM 0 HE2 PHE A 102 -6.835 0.565 -1.017 1.00 51.11 H new ATOM 0 HZ PHE A 102 -9.010 0.682 -2.161 1.00 75.40 H new ATOM 1585 N LYS A 103 -3.816 5.551 -6.035 1.00 11.32 N ATOM 1586 CA LYS A 103 -3.003 6.676 -6.499 1.00 65.51 C ATOM 1587 C LYS A 103 -3.791 7.975 -6.422 1.00 31.13 C ATOM 1588 O LYS A 103 -4.729 8.174 -7.191 1.00 52.14 O ATOM 1589 CB LYS A 103 -2.531 6.448 -7.942 1.00 72.30 C ATOM 1590 CG LYS A 103 -1.626 7.561 -8.472 1.00 4.21 C ATOM 1591 CD LYS A 103 -1.366 7.428 -9.972 1.00 62.55 C ATOM 1592 CE LYS A 103 -0.739 6.086 -10.330 1.00 31.45 C ATOM 1593 NZ LYS A 103 -0.522 5.948 -11.793 1.00 32.55 N ATOM 0 H LYS A 103 -4.801 5.600 -6.296 1.00 11.32 H new ATOM 0 HA LYS A 103 -2.132 6.748 -5.848 1.00 65.51 H new ATOM 0 HB2 LYS A 103 -1.996 5.500 -7.995 1.00 72.30 H new ATOM 0 HB3 LYS A 103 -3.402 6.359 -8.591 1.00 72.30 H new ATOM 0 HG2 LYS A 103 -2.086 8.528 -8.269 1.00 4.21 H new ATOM 0 HG3 LYS A 103 -0.676 7.541 -7.937 1.00 4.21 H new ATOM 0 HD2 LYS A 103 -2.305 7.545 -10.514 1.00 62.55 H new ATOM 0 HD3 LYS A 103 -0.708 8.233 -10.298 1.00 62.55 H new ATOM 0 HE2 LYS A 103 0.213 5.980 -9.810 1.00 31.45 H new ATOM 0 HE3 LYS A 103 -1.384 5.279 -9.981 1.00 31.45 H new ATOM 0 HZ1 LYS A 103 -0.094 5.022 -11.995 1.00 32.55 H new ATOM 0 HZ2 LYS A 103 -1.434 6.023 -12.288 1.00 32.55 H new ATOM 0 HZ3 LYS A 103 0.114 6.702 -12.122 1.00 32.55 H new ATOM 1607 N ASN A 104 -3.419 8.846 -5.485 1.00 35.11 N ATOM 1608 CA ASN A 104 -4.046 10.166 -5.355 1.00 1.44 C ATOM 1609 C ASN A 104 -5.564 10.039 -5.157 1.00 51.53 C ATOM 1610 O ASN A 104 -6.334 10.926 -5.524 1.00 0.13 O ATOM 1611 CB ASN A 104 -3.720 11.008 -6.604 1.00 31.14 C ATOM 1612 CG ASN A 104 -4.182 12.455 -6.514 1.00 63.00 C ATOM 1613 OD1 ASN A 104 -4.256 13.036 -5.430 1.00 53.04 O ATOM 1614 ND2 ASN A 104 -4.480 13.049 -7.661 1.00 13.21 N ATOM 0 H ASN A 104 -2.684 8.663 -4.801 1.00 35.11 H new ATOM 0 HA ASN A 104 -3.646 10.666 -4.473 1.00 1.44 H new ATOM 0 HB2 ASN A 104 -2.643 10.991 -6.770 1.00 31.14 H new ATOM 0 HB3 ASN A 104 -4.184 10.543 -7.474 1.00 31.14 H new ATOM 0 HD21 ASN A 104 -4.784 14.023 -7.667 1.00 13.21 H new ATOM 0 HD22 ASN A 104 -4.406 12.532 -8.537 1.00 13.21 H new ATOM 1621 N GLY A 105 -5.985 8.930 -4.555 1.00 24.10 N ATOM 1622 CA GLY A 105 -7.400 8.697 -4.306 1.00 53.33 C ATOM 1623 C GLY A 105 -8.093 7.984 -5.454 1.00 61.02 C ATOM 1624 O GLY A 105 -9.284 7.678 -5.375 1.00 71.22 O ATOM 0 H GLY A 105 -5.369 8.184 -4.233 1.00 24.10 H new ATOM 0 HA2 GLY A 105 -7.511 8.105 -3.397 1.00 53.33 H new ATOM 0 HA3 GLY A 105 -7.894 9.652 -4.127 1.00 53.33 H new ATOM 1628 N LYS A 106 -7.355 7.725 -6.526 1.00 71.21 N ATOM 1629 CA LYS A 106 -7.893 7.011 -7.680 1.00 45.51 C ATOM 1630 C LYS A 106 -7.638 5.513 -7.526 1.00 4.43 C ATOM 1631 O LYS A 106 -6.618 5.107 -6.950 1.00 64.52 O ATOM 1632 CB LYS A 106 -7.259 7.534 -8.978 1.00 24.43 C ATOM 1633 CG LYS A 106 -7.960 7.058 -10.251 1.00 23.23 C ATOM 1634 CD LYS A 106 -7.294 7.613 -11.511 1.00 13.15 C ATOM 1635 CE LYS A 106 -5.940 6.963 -11.784 1.00 44.44 C ATOM 1636 NZ LYS A 106 -6.082 5.550 -12.226 1.00 45.15 N ATOM 0 H LYS A 106 -6.377 8.000 -6.622 1.00 71.21 H new ATOM 0 HA LYS A 106 -8.968 7.183 -7.733 1.00 45.51 H new ATOM 0 HB2 LYS A 106 -7.264 8.624 -8.959 1.00 24.43 H new ATOM 0 HB3 LYS A 106 -6.215 7.221 -9.012 1.00 24.43 H new ATOM 0 HG2 LYS A 106 -7.950 5.969 -10.285 1.00 23.23 H new ATOM 0 HG3 LYS A 106 -9.005 7.367 -10.227 1.00 23.23 H new ATOM 0 HD2 LYS A 106 -7.950 7.454 -12.367 1.00 13.15 H new ATOM 0 HD3 LYS A 106 -7.163 8.690 -11.406 1.00 13.15 H new ATOM 0 HE2 LYS A 106 -5.412 7.532 -12.550 1.00 44.44 H new ATOM 0 HE3 LYS A 106 -5.330 7.001 -10.881 1.00 44.44 H new ATOM 0 HZ1 LYS A 106 -5.163 5.197 -12.562 1.00 45.15 H new ATOM 0 HZ2 LYS A 106 -6.406 4.967 -11.428 1.00 45.15 H new ATOM 0 HZ3 LYS A 106 -6.777 5.496 -12.998 1.00 45.15 H new ATOM 1650 N LYS A 107 -8.569 4.704 -8.037 1.00 51.44 N ATOM 1651 CA LYS A 107 -8.496 3.249 -7.919 1.00 13.54 C ATOM 1652 C LYS A 107 -7.243 2.679 -8.587 1.00 42.54 C ATOM 1653 O LYS A 107 -6.699 3.260 -9.528 1.00 73.13 O ATOM 1654 CB LYS A 107 -9.759 2.596 -8.498 1.00 23.05 C ATOM 1655 CG LYS A 107 -11.004 2.797 -7.635 1.00 63.32 C ATOM 1656 CD LYS A 107 -10.875 2.090 -6.285 1.00 53.44 C ATOM 1657 CE LYS A 107 -12.100 2.310 -5.400 1.00 54.14 C ATOM 1658 NZ LYS A 107 -13.350 1.814 -6.035 1.00 14.32 N ATOM 0 H LYS A 107 -9.390 5.039 -8.541 1.00 51.44 H new ATOM 0 HA LYS A 107 -8.432 3.014 -6.856 1.00 13.54 H new ATOM 0 HB2 LYS A 107 -9.946 3.004 -9.491 1.00 23.05 H new ATOM 0 HB3 LYS A 107 -9.581 1.528 -8.621 1.00 23.05 H new ATOM 0 HG2 LYS A 107 -11.167 3.863 -7.474 1.00 63.32 H new ATOM 0 HG3 LYS A 107 -11.878 2.417 -8.163 1.00 63.32 H new ATOM 0 HD2 LYS A 107 -10.734 1.022 -6.448 1.00 53.44 H new ATOM 0 HD3 LYS A 107 -9.986 2.454 -5.770 1.00 53.44 H new ATOM 0 HE2 LYS A 107 -11.953 1.802 -4.447 1.00 54.14 H new ATOM 0 HE3 LYS A 107 -12.202 3.373 -5.183 1.00 54.14 H new ATOM 0 HZ1 LYS A 107 -14.126 1.844 -5.343 1.00 14.32 H new ATOM 0 HZ2 LYS A 107 -13.588 2.416 -6.849 1.00 14.32 H new ATOM 0 HZ3 LYS A 107 -13.211 0.835 -6.357 1.00 14.32 H new ATOM 1672 N LEU A 108 -6.834 1.517 -8.097 1.00 63.42 N ATOM 1673 CA LEU A 108 -5.552 0.896 -8.422 1.00 33.25 C ATOM 1674 C LEU A 108 -5.629 -0.590 -8.044 1.00 10.20 C ATOM 1675 O LEU A 108 -6.576 -1.013 -7.377 1.00 24.23 O ATOM 1676 CB LEU A 108 -4.384 1.596 -7.699 1.00 32.32 C ATOM 1677 CG LEU A 108 -3.235 2.126 -8.584 1.00 51.32 C ATOM 1678 CD1 LEU A 108 -2.692 1.038 -9.509 1.00 72.33 C ATOM 1679 CD2 LEU A 108 -3.679 3.352 -9.380 1.00 43.01 C ATOM 0 H LEU A 108 -7.395 0.965 -7.448 1.00 63.42 H new ATOM 0 HA LEU A 108 -5.358 0.997 -9.490 1.00 33.25 H new ATOM 0 HB2 LEU A 108 -4.789 2.433 -7.131 1.00 32.32 H new ATOM 0 HB3 LEU A 108 -3.962 0.896 -6.978 1.00 32.32 H new ATOM 0 HG LEU A 108 -2.423 2.428 -7.923 1.00 51.32 H new ATOM 0 HD11 LEU A 108 -1.885 1.447 -10.117 1.00 72.33 H new ATOM 0 HD12 LEU A 108 -2.312 0.209 -8.912 1.00 72.33 H new ATOM 0 HD13 LEU A 108 -3.491 0.681 -10.159 1.00 72.33 H new ATOM 0 HD21 LEU A 108 -2.852 3.706 -9.995 1.00 43.01 H new ATOM 0 HD22 LEU A 108 -4.519 3.085 -10.021 1.00 43.01 H new ATOM 0 HD23 LEU A 108 -3.983 4.141 -8.693 1.00 43.01 H new ATOM 1691 N SER A 109 -4.659 -1.376 -8.492 1.00 71.10 N ATOM 1692 CA SER A 109 -4.711 -2.832 -8.394 1.00 55.14 C ATOM 1693 C SER A 109 -4.544 -3.335 -6.953 1.00 4.24 C ATOM 1694 O SER A 109 -4.274 -2.569 -6.026 1.00 61.01 O ATOM 1695 CB SER A 109 -3.579 -3.406 -9.260 1.00 70.24 C ATOM 1696 OG SER A 109 -3.939 -3.437 -10.634 1.00 75.02 O ATOM 0 H SER A 109 -3.811 -1.023 -8.935 1.00 71.10 H new ATOM 0 HA SER A 109 -5.692 -3.161 -8.737 1.00 55.14 H new ATOM 0 HB2 SER A 109 -2.680 -2.803 -9.132 1.00 70.24 H new ATOM 0 HB3 SER A 109 -3.337 -4.414 -8.923 1.00 70.24 H new ATOM 0 HG SER A 109 -3.198 -3.806 -11.158 1.00 75.02 H new ATOM 1702 N GLN A 110 -4.759 -4.636 -6.778 1.00 13.25 N ATOM 1703 CA GLN A 110 -4.639 -5.287 -5.478 1.00 73.35 C ATOM 1704 C GLN A 110 -3.681 -6.472 -5.580 1.00 1.15 C ATOM 1705 O GLN A 110 -3.838 -7.331 -6.451 1.00 33.23 O ATOM 1706 CB GLN A 110 -6.021 -5.765 -5.001 1.00 22.30 C ATOM 1707 CG GLN A 110 -6.028 -6.342 -3.588 1.00 70.13 C ATOM 1708 CD GLN A 110 -7.386 -6.895 -3.180 1.00 73.33 C ATOM 1709 OE1 GLN A 110 -8.237 -6.173 -2.665 1.00 25.34 O ATOM 1710 NE2 GLN A 110 -7.589 -8.187 -3.385 1.00 21.02 N ATOM 0 H GLN A 110 -5.021 -5.268 -7.534 1.00 13.25 H new ATOM 0 HA GLN A 110 -4.245 -4.573 -4.755 1.00 73.35 H new ATOM 0 HB2 GLN A 110 -6.718 -4.928 -5.043 1.00 22.30 H new ATOM 0 HB3 GLN A 110 -6.390 -6.522 -5.693 1.00 22.30 H new ATOM 0 HG2 GLN A 110 -5.284 -7.135 -3.521 1.00 70.13 H new ATOM 0 HG3 GLN A 110 -5.731 -5.566 -2.883 1.00 70.13 H new ATOM 0 HE21 GLN A 110 -6.860 -8.756 -3.815 1.00 21.02 H new ATOM 0 HE22 GLN A 110 -8.475 -8.614 -3.113 1.00 21.02 H new ATOM 1719 N VAL A 111 -2.683 -6.508 -4.705 1.00 72.40 N ATOM 1720 CA VAL A 111 -1.715 -7.600 -4.680 1.00 74.54 C ATOM 1721 C VAL A 111 -2.105 -8.622 -3.614 1.00 34.51 C ATOM 1722 O VAL A 111 -1.993 -8.356 -2.417 1.00 14.45 O ATOM 1723 CB VAL A 111 -0.278 -7.084 -4.403 1.00 54.00 C ATOM 1724 CG1 VAL A 111 0.731 -8.234 -4.418 1.00 74.41 C ATOM 1725 CG2 VAL A 111 0.111 -6.002 -5.411 1.00 24.22 C ATOM 0 H VAL A 111 -2.522 -5.789 -3.999 1.00 72.40 H new ATOM 0 HA VAL A 111 -1.724 -8.071 -5.663 1.00 74.54 H new ATOM 0 HB VAL A 111 -0.264 -6.641 -3.407 1.00 54.00 H new ATOM 0 HG11 VAL A 111 1.730 -7.844 -4.221 1.00 74.41 H new ATOM 0 HG12 VAL A 111 0.467 -8.960 -3.649 1.00 74.41 H new ATOM 0 HG13 VAL A 111 0.716 -8.718 -5.394 1.00 74.41 H new ATOM 0 HG21 VAL A 111 1.122 -5.654 -5.199 1.00 24.22 H new ATOM 0 HG22 VAL A 111 0.073 -6.414 -6.420 1.00 24.22 H new ATOM 0 HG23 VAL A 111 -0.584 -5.166 -5.334 1.00 24.22 H new ATOM 1735 N ILE A 112 -2.584 -9.778 -4.057 1.00 54.11 N ATOM 1736 CA ILE A 112 -3.005 -10.835 -3.147 1.00 74.14 C ATOM 1737 C ILE A 112 -1.787 -11.629 -2.672 1.00 41.41 C ATOM 1738 O ILE A 112 -1.194 -12.394 -3.438 1.00 3.22 O ATOM 1739 CB ILE A 112 -4.040 -11.799 -3.802 1.00 32.12 C ATOM 1740 CG1 ILE A 112 -5.349 -11.057 -4.164 1.00 70.13 C ATOM 1741 CG2 ILE A 112 -4.338 -12.982 -2.877 1.00 73.52 C ATOM 1742 CD1 ILE A 112 -5.230 -10.097 -5.333 1.00 52.13 C ATOM 0 H ILE A 112 -2.691 -10.007 -5.045 1.00 54.11 H new ATOM 0 HA ILE A 112 -3.493 -10.358 -2.297 1.00 74.14 H new ATOM 0 HB ILE A 112 -3.601 -12.179 -4.725 1.00 32.12 H new ATOM 0 HG12 ILE A 112 -6.117 -11.795 -4.394 1.00 70.13 H new ATOM 0 HG13 ILE A 112 -5.691 -10.503 -3.290 1.00 70.13 H new ATOM 0 HG21 ILE A 112 -5.063 -13.643 -3.353 1.00 73.52 H new ATOM 0 HG22 ILE A 112 -3.418 -13.533 -2.683 1.00 73.52 H new ATOM 0 HG23 ILE A 112 -4.746 -12.614 -1.936 1.00 73.52 H new ATOM 0 HD11 ILE A 112 -6.195 -9.623 -5.514 1.00 52.13 H new ATOM 0 HD12 ILE A 112 -4.488 -9.333 -5.102 1.00 52.13 H new ATOM 0 HD13 ILE A 112 -4.922 -10.645 -6.224 1.00 52.13 H new ATOM 1754 N GLY A 113 -1.407 -11.424 -1.415 1.00 31.22 N ATOM 1755 CA GLY A 113 -0.264 -12.118 -0.850 1.00 35.23 C ATOM 1756 C GLY A 113 1.019 -11.321 -0.997 1.00 52.15 C ATOM 1757 O GLY A 113 1.280 -10.743 -2.054 1.00 33.43 O ATOM 0 H GLY A 113 -1.875 -10.784 -0.773 1.00 31.22 H new ATOM 0 HA2 GLY A 113 -0.447 -12.317 0.206 1.00 35.23 H new ATOM 0 HA3 GLY A 113 -0.148 -13.084 -1.341 1.00 35.23 H new ATOM 1761 N ALA A 114 1.816 -11.288 0.068 1.00 4.14 N ATOM 1762 CA ALA A 114 3.089 -10.578 0.072 1.00 54.32 C ATOM 1763 C ALA A 114 4.005 -11.097 -1.040 1.00 14.32 C ATOM 1764 O ALA A 114 4.724 -12.088 -0.861 1.00 11.42 O ATOM 1765 CB ALA A 114 3.759 -10.722 1.435 1.00 15.25 C ATOM 0 H ALA A 114 1.597 -11.752 0.950 1.00 4.14 H new ATOM 0 HA ALA A 114 2.901 -9.521 -0.117 1.00 54.32 H new ATOM 0 HB1 ALA A 114 4.710 -10.189 1.431 1.00 15.25 H new ATOM 0 HB2 ALA A 114 3.111 -10.303 2.205 1.00 15.25 H new ATOM 0 HB3 ALA A 114 3.935 -11.777 1.644 1.00 15.25 H new ATOM 1771 N ASP A 115 3.939 -10.458 -2.203 1.00 52.43 N ATOM 1772 CA ASP A 115 4.771 -10.832 -3.341 1.00 62.42 C ATOM 1773 C ASP A 115 5.513 -9.612 -3.865 1.00 73.22 C ATOM 1774 O ASP A 115 4.952 -8.802 -4.603 1.00 63.30 O ATOM 1775 CB ASP A 115 3.919 -11.448 -4.452 1.00 72.00 C ATOM 1776 CG ASP A 115 4.769 -12.177 -5.473 1.00 21.32 C ATOM 1777 OD1 ASP A 115 5.086 -13.361 -5.231 1.00 14.44 O ATOM 1778 OD2 ASP A 115 5.137 -11.571 -6.500 1.00 70.41 O ATOM 0 H ASP A 115 3.313 -9.673 -2.383 1.00 52.43 H new ATOM 0 HA ASP A 115 5.496 -11.576 -3.011 1.00 62.42 H new ATOM 0 HB2 ASP A 115 3.199 -12.141 -4.016 1.00 72.00 H new ATOM 0 HB3 ASP A 115 3.347 -10.664 -4.948 1.00 72.00 H new ATOM 1783 N ILE A 116 6.775 -9.488 -3.470 1.00 30.45 N ATOM 1784 CA ILE A 116 7.576 -8.312 -3.791 1.00 24.41 C ATOM 1785 C ILE A 116 7.679 -8.124 -5.306 1.00 22.13 C ATOM 1786 O ILE A 116 7.707 -6.997 -5.792 1.00 3.44 O ATOM 1787 CB ILE A 116 8.996 -8.411 -3.145 1.00 61.13 C ATOM 1788 CG1 ILE A 116 9.525 -7.021 -2.728 1.00 23.04 C ATOM 1789 CG2 ILE A 116 9.994 -9.114 -4.071 1.00 20.20 C ATOM 1790 CD1 ILE A 116 9.830 -6.072 -3.869 1.00 11.05 C ATOM 0 H ILE A 116 7.269 -10.193 -2.923 1.00 30.45 H new ATOM 0 HA ILE A 116 7.077 -7.438 -3.373 1.00 24.41 H new ATOM 0 HB ILE A 116 8.893 -9.018 -2.245 1.00 61.13 H new ATOM 0 HG12 ILE A 116 8.789 -6.552 -2.075 1.00 23.04 H new ATOM 0 HG13 ILE A 116 10.432 -7.158 -2.140 1.00 23.04 H new ATOM 0 HG21 ILE A 116 10.969 -9.163 -3.586 1.00 20.20 H new ATOM 0 HG22 ILE A 116 9.644 -10.124 -4.284 1.00 20.20 H new ATOM 0 HG23 ILE A 116 10.080 -8.556 -5.003 1.00 20.20 H new ATOM 0 HD11 ILE A 116 10.195 -5.126 -3.468 1.00 11.05 H new ATOM 0 HD12 ILE A 116 10.592 -6.511 -4.513 1.00 11.05 H new ATOM 0 HD13 ILE A 116 8.923 -5.895 -4.448 1.00 11.05 H new ATOM 1802 N SER A 117 7.707 -9.232 -6.043 1.00 0.51 N ATOM 1803 CA SER A 117 7.826 -9.189 -7.494 1.00 1.04 C ATOM 1804 C SER A 117 6.636 -8.443 -8.108 1.00 71.13 C ATOM 1805 O SER A 117 6.814 -7.474 -8.851 1.00 61.13 O ATOM 1806 CB SER A 117 7.922 -10.613 -8.051 1.00 33.32 C ATOM 1807 OG SER A 117 8.951 -11.345 -7.401 1.00 4.22 O ATOM 0 H SER A 117 7.648 -10.173 -5.655 1.00 0.51 H new ATOM 0 HA SER A 117 8.735 -8.649 -7.759 1.00 1.04 H new ATOM 0 HB2 SER A 117 6.968 -11.124 -7.919 1.00 33.32 H new ATOM 0 HB3 SER A 117 8.118 -10.576 -9.123 1.00 33.32 H new ATOM 0 HG SER A 117 8.992 -12.251 -7.772 1.00 4.22 H new ATOM 1813 N LYS A 118 5.424 -8.877 -7.772 1.00 63.31 N ATOM 1814 CA LYS A 118 4.214 -8.237 -8.281 1.00 4.35 C ATOM 1815 C LYS A 118 4.120 -6.794 -7.783 1.00 42.51 C ATOM 1816 O LYS A 118 3.757 -5.889 -8.541 1.00 53.11 O ATOM 1817 CB LYS A 118 2.967 -9.036 -7.869 1.00 4.41 C ATOM 1818 CG LYS A 118 1.645 -8.426 -8.340 1.00 34.34 C ATOM 1819 CD LYS A 118 1.626 -8.186 -9.851 1.00 31.54 C ATOM 1820 CE LYS A 118 0.291 -7.616 -10.318 1.00 21.43 C ATOM 1821 NZ LYS A 118 0.305 -7.281 -11.768 1.00 12.21 N ATOM 0 H LYS A 118 5.254 -9.668 -7.151 1.00 63.31 H new ATOM 0 HA LYS A 118 4.265 -8.220 -9.370 1.00 4.35 H new ATOM 0 HB2 LYS A 118 3.050 -10.047 -8.267 1.00 4.41 H new ATOM 0 HB3 LYS A 118 2.947 -9.122 -6.783 1.00 4.41 H new ATOM 0 HG2 LYS A 118 0.824 -9.089 -8.069 1.00 34.34 H new ATOM 0 HG3 LYS A 118 1.477 -7.482 -7.822 1.00 34.34 H new ATOM 0 HD2 LYS A 118 2.428 -7.499 -10.120 1.00 31.54 H new ATOM 0 HD3 LYS A 118 1.822 -9.124 -10.370 1.00 31.54 H new ATOM 0 HE2 LYS A 118 -0.501 -8.339 -10.120 1.00 21.43 H new ATOM 0 HE3 LYS A 118 0.057 -6.721 -9.741 1.00 21.43 H new ATOM 0 HZ1 LYS A 118 -0.670 -7.258 -12.128 1.00 12.21 H new ATOM 0 HZ2 LYS A 118 0.747 -6.349 -11.905 1.00 12.21 H new ATOM 0 HZ3 LYS A 118 0.848 -8.001 -12.285 1.00 12.21 H new ATOM 1835 N ILE A 119 4.469 -6.587 -6.514 1.00 14.01 N ATOM 1836 CA ILE A 119 4.432 -5.256 -5.915 1.00 11.32 C ATOM 1837 C ILE A 119 5.335 -4.292 -6.685 1.00 4.42 C ATOM 1838 O ILE A 119 4.878 -3.249 -7.155 1.00 45.51 O ATOM 1839 CB ILE A 119 4.850 -5.284 -4.420 1.00 1.34 C ATOM 1840 CG1 ILE A 119 3.843 -6.113 -3.602 1.00 50.14 C ATOM 1841 CG2 ILE A 119 4.961 -3.864 -3.859 1.00 44.12 C ATOM 1842 CD1 ILE A 119 4.213 -6.261 -2.140 1.00 64.31 C ATOM 0 H ILE A 119 4.780 -7.325 -5.882 1.00 14.01 H new ATOM 0 HA ILE A 119 3.401 -4.908 -5.972 1.00 11.32 H new ATOM 0 HB ILE A 119 5.831 -5.753 -4.345 1.00 1.34 H new ATOM 0 HG12 ILE A 119 2.861 -5.646 -3.672 1.00 50.14 H new ATOM 0 HG13 ILE A 119 3.757 -7.104 -4.047 1.00 50.14 H new ATOM 0 HG21 ILE A 119 5.255 -3.909 -2.810 1.00 44.12 H new ATOM 0 HG22 ILE A 119 5.710 -3.308 -4.422 1.00 44.12 H new ATOM 0 HG23 ILE A 119 3.997 -3.363 -3.944 1.00 44.12 H new ATOM 0 HD11 ILE A 119 3.455 -6.857 -1.631 1.00 64.31 H new ATOM 0 HD12 ILE A 119 5.180 -6.757 -2.058 1.00 64.31 H new ATOM 0 HD13 ILE A 119 4.270 -5.276 -1.678 1.00 64.31 H new ATOM 1854 N ILE A 120 6.609 -4.658 -6.836 1.00 12.52 N ATOM 1855 CA ILE A 120 7.570 -3.804 -7.529 1.00 13.44 C ATOM 1856 C ILE A 120 7.164 -3.625 -8.990 1.00 54.05 C ATOM 1857 O ILE A 120 7.367 -2.557 -9.567 1.00 3.22 O ATOM 1858 CB ILE A 120 9.026 -4.348 -7.445 1.00 31.45 C ATOM 1859 CG1 ILE A 120 10.022 -3.313 -8.002 1.00 21.23 C ATOM 1860 CG2 ILE A 120 9.165 -5.677 -8.185 1.00 40.41 C ATOM 1861 CD1 ILE A 120 11.474 -3.736 -7.891 1.00 4.31 C ATOM 0 H ILE A 120 6.996 -5.536 -6.489 1.00 12.52 H new ATOM 0 HA ILE A 120 7.556 -2.839 -7.023 1.00 13.44 H new ATOM 0 HB ILE A 120 9.257 -4.525 -6.394 1.00 31.45 H new ATOM 0 HG12 ILE A 120 9.788 -3.125 -9.050 1.00 21.23 H new ATOM 0 HG13 ILE A 120 9.887 -2.371 -7.471 1.00 21.23 H new ATOM 0 HG21 ILE A 120 10.193 -6.031 -8.108 1.00 40.41 H new ATOM 0 HG22 ILE A 120 8.494 -6.412 -7.741 1.00 40.41 H new ATOM 0 HG23 ILE A 120 8.907 -5.538 -9.235 1.00 40.41 H new ATOM 0 HD11 ILE A 120 12.113 -2.955 -8.304 1.00 4.31 H new ATOM 0 HD12 ILE A 120 11.727 -3.896 -6.843 1.00 4.31 H new ATOM 0 HD13 ILE A 120 11.627 -4.662 -8.446 1.00 4.31 H new ATOM 1873 N SER A 121 6.574 -4.667 -9.579 1.00 54.21 N ATOM 1874 CA SER A 121 6.079 -4.581 -10.946 1.00 43.21 C ATOM 1875 C SER A 121 5.029 -3.475 -11.062 1.00 63.35 C ATOM 1876 O SER A 121 5.079 -2.654 -11.981 1.00 12.03 O ATOM 1877 CB SER A 121 5.506 -5.930 -11.405 1.00 61.13 C ATOM 1878 OG SER A 121 6.524 -6.921 -11.464 1.00 74.12 O ATOM 0 H SER A 121 6.430 -5.572 -9.131 1.00 54.21 H new ATOM 0 HA SER A 121 6.914 -4.332 -11.601 1.00 43.21 H new ATOM 0 HB2 SER A 121 4.722 -6.249 -10.718 1.00 61.13 H new ATOM 0 HB3 SER A 121 5.044 -5.818 -12.386 1.00 61.13 H new ATOM 0 HG SER A 121 6.896 -7.062 -10.568 1.00 74.12 H new ATOM 1884 N GLU A 122 4.096 -3.435 -10.111 1.00 42.34 N ATOM 1885 CA GLU A 122 3.065 -2.402 -10.104 1.00 32.13 C ATOM 1886 C GLU A 122 3.656 -1.034 -9.764 1.00 55.53 C ATOM 1887 O GLU A 122 3.248 -0.021 -10.334 1.00 51.34 O ATOM 1888 CB GLU A 122 1.932 -2.747 -9.130 1.00 25.14 C ATOM 1889 CG GLU A 122 1.034 -3.890 -9.599 1.00 12.42 C ATOM 1890 CD GLU A 122 0.574 -3.720 -11.042 1.00 62.50 C ATOM 1891 OE1 GLU A 122 -0.072 -2.696 -11.355 1.00 52.31 O ATOM 1892 OE2 GLU A 122 0.854 -4.616 -11.869 1.00 72.30 O ATOM 0 H GLU A 122 4.034 -4.102 -9.341 1.00 42.34 H new ATOM 0 HA GLU A 122 2.647 -2.357 -11.110 1.00 32.13 H new ATOM 0 HB2 GLU A 122 2.365 -3.011 -8.165 1.00 25.14 H new ATOM 0 HB3 GLU A 122 1.320 -1.859 -8.972 1.00 25.14 H new ATOM 0 HG2 GLU A 122 1.572 -4.833 -9.502 1.00 12.42 H new ATOM 0 HG3 GLU A 122 0.162 -3.952 -8.948 1.00 12.42 H new ATOM 1899 N ILE A 123 4.617 -1.001 -8.844 1.00 63.12 N ATOM 1900 CA ILE A 123 5.289 0.250 -8.489 1.00 35.42 C ATOM 1901 C ILE A 123 5.914 0.879 -9.733 1.00 22.34 C ATOM 1902 O ILE A 123 5.642 2.036 -10.064 1.00 64.31 O ATOM 1903 CB ILE A 123 6.384 0.034 -7.409 1.00 44.51 C ATOM 1904 CG1 ILE A 123 5.754 -0.430 -6.084 1.00 0.53 C ATOM 1905 CG2 ILE A 123 7.198 1.310 -7.195 1.00 61.04 C ATOM 1906 CD1 ILE A 123 6.761 -0.682 -4.979 1.00 11.01 C ATOM 0 H ILE A 123 4.947 -1.819 -8.333 1.00 63.12 H new ATOM 0 HA ILE A 123 4.536 0.919 -8.073 1.00 35.42 H new ATOM 0 HB ILE A 123 7.059 -0.745 -7.763 1.00 44.51 H new ATOM 0 HG12 ILE A 123 5.042 0.324 -5.748 1.00 0.53 H new ATOM 0 HG13 ILE A 123 5.189 -1.345 -6.263 1.00 0.53 H new ATOM 0 HG21 ILE A 123 7.958 1.133 -6.434 1.00 61.04 H new ATOM 0 HG22 ILE A 123 7.680 1.595 -8.130 1.00 61.04 H new ATOM 0 HG23 ILE A 123 6.537 2.113 -6.868 1.00 61.04 H new ATOM 0 HD11 ILE A 123 6.239 -1.006 -4.078 1.00 11.01 H new ATOM 0 HD12 ILE A 123 7.459 -1.458 -5.293 1.00 11.01 H new ATOM 0 HD13 ILE A 123 7.310 0.236 -4.770 1.00 11.01 H new ATOM 1918 N ASN A 124 6.728 0.092 -10.432 1.00 71.24 N ATOM 1919 CA ASN A 124 7.353 0.534 -11.679 1.00 60.43 C ATOM 1920 C ASN A 124 6.279 0.902 -12.699 1.00 43.22 C ATOM 1921 O ASN A 124 6.406 1.886 -13.424 1.00 40.11 O ATOM 1922 CB ASN A 124 8.262 -0.567 -12.255 1.00 63.53 C ATOM 1923 CG ASN A 124 9.424 -0.930 -11.341 1.00 44.45 C ATOM 1924 OD1 ASN A 124 9.945 -0.092 -10.600 1.00 42.31 O ATOM 1925 ND2 ASN A 124 9.839 -2.187 -11.389 1.00 61.41 N ATOM 0 H ASN A 124 6.972 -0.859 -10.156 1.00 71.24 H new ATOM 0 HA ASN A 124 7.964 1.411 -11.464 1.00 60.43 H new ATOM 0 HB2 ASN A 124 7.665 -1.459 -12.443 1.00 63.53 H new ATOM 0 HB3 ASN A 124 8.655 -0.237 -13.217 1.00 63.53 H new ATOM 0 HD21 ASN A 124 10.615 -2.491 -10.800 1.00 61.41 H new ATOM 0 HD22 ASN A 124 9.383 -2.851 -12.015 1.00 61.41 H new ATOM 1932 N ASN A 125 5.214 0.105 -12.727 1.00 51.31 N ATOM 1933 CA ASN A 125 4.091 0.310 -13.647 1.00 35.14 C ATOM 1934 C ASN A 125 3.374 1.637 -13.372 1.00 75.22 C ATOM 1935 O ASN A 125 2.848 2.270 -14.289 1.00 41.03 O ATOM 1936 CB ASN A 125 3.102 -0.864 -13.519 1.00 20.42 C ATOM 1937 CG ASN A 125 1.855 -0.724 -14.383 1.00 34.23 C ATOM 1938 OD1 ASN A 125 1.884 -0.133 -15.461 1.00 43.44 O ATOM 1939 ND2 ASN A 125 0.745 -1.282 -13.915 1.00 4.34 N ATOM 0 H ASN A 125 5.102 -0.702 -12.114 1.00 51.31 H new ATOM 0 HA ASN A 125 4.483 0.352 -14.663 1.00 35.14 H new ATOM 0 HB2 ASN A 125 3.615 -1.788 -13.787 1.00 20.42 H new ATOM 0 HB3 ASN A 125 2.800 -0.958 -12.476 1.00 20.42 H new ATOM 0 HD21 ASN A 125 -0.119 -1.228 -14.454 1.00 4.34 H new ATOM 0 HD22 ASN A 125 0.757 -1.765 -13.017 1.00 4.34 H new ATOM 1946 N ASN A 126 3.357 2.056 -12.108 1.00 44.31 N ATOM 1947 CA ASN A 126 2.636 3.270 -11.709 1.00 61.44 C ATOM 1948 C ASN A 126 3.516 4.516 -11.789 1.00 35.42 C ATOM 1949 O ASN A 126 3.010 5.613 -12.021 1.00 72.55 O ATOM 1950 CB ASN A 126 2.059 3.124 -10.291 1.00 50.42 C ATOM 1951 CG ASN A 126 0.714 2.416 -10.275 1.00 3.33 C ATOM 1952 OD1 ASN A 126 -0.331 3.053 -10.391 1.00 2.34 O ATOM 1953 ND2 ASN A 126 0.725 1.100 -10.125 1.00 45.12 N ATOM 0 H ASN A 126 3.832 1.577 -11.343 1.00 44.31 H new ATOM 0 HA ASN A 126 1.817 3.396 -12.417 1.00 61.44 H new ATOM 0 HB2 ASN A 126 2.764 2.570 -9.672 1.00 50.42 H new ATOM 0 HB3 ASN A 126 1.950 4.112 -9.844 1.00 50.42 H new ATOM 0 HD21 ASN A 126 -0.153 0.582 -10.103 1.00 45.12 H new ATOM 0 HD22 ASN A 126 1.612 0.605 -10.032 1.00 45.12 H new ATOM 1960 N ILE A 127 4.820 4.357 -11.581 1.00 10.54 N ATOM 1961 CA ILE A 127 5.740 5.494 -11.641 1.00 32.23 C ATOM 1962 C ILE A 127 6.201 5.736 -13.076 1.00 12.30 C ATOM 1963 O ILE A 127 6.219 6.871 -13.555 1.00 73.13 O ATOM 1964 CB ILE A 127 6.980 5.280 -10.734 1.00 41.41 C ATOM 1965 CG1 ILE A 127 6.549 5.073 -9.272 1.00 1.53 C ATOM 1966 CG2 ILE A 127 7.947 6.462 -10.848 1.00 63.52 C ATOM 1967 CD1 ILE A 127 7.706 4.803 -8.332 1.00 64.13 C ATOM 0 H ILE A 127 5.262 3.462 -11.371 1.00 10.54 H new ATOM 0 HA ILE A 127 5.195 6.366 -11.279 1.00 32.23 H new ATOM 0 HB ILE A 127 7.499 4.383 -11.071 1.00 41.41 H new ATOM 0 HG12 ILE A 127 6.013 5.959 -8.931 1.00 1.53 H new ATOM 0 HG13 ILE A 127 5.849 4.239 -9.223 1.00 1.53 H new ATOM 0 HG21 ILE A 127 8.809 6.290 -10.203 1.00 63.52 H new ATOM 0 HG22 ILE A 127 8.280 6.561 -11.881 1.00 63.52 H new ATOM 0 HG23 ILE A 127 7.441 7.377 -10.541 1.00 63.52 H new ATOM 0 HD11 ILE A 127 7.328 4.667 -7.319 1.00 64.13 H new ATOM 0 HD12 ILE A 127 8.229 3.900 -8.648 1.00 64.13 H new ATOM 0 HD13 ILE A 127 8.395 5.647 -8.352 1.00 64.13 H new ATOM 1979 N ASN A 128 6.576 4.658 -13.752 1.00 74.50 N ATOM 1980 CA ASN A 128 7.060 4.727 -15.127 1.00 50.14 C ATOM 1981 C ASN A 128 5.923 4.385 -16.090 1.00 41.34 C ATOM 1982 O ASN A 128 5.131 5.294 -16.424 1.00 11.33 O ATOM 1983 CB ASN A 128 8.240 3.758 -15.329 1.00 4.32 C ATOM 1984 CG ASN A 128 9.534 4.201 -14.656 1.00 13.12 C ATOM 1985 OD1 ASN A 128 10.625 3.843 -15.103 1.00 5.55 O ATOM 1986 ND2 ASN A 128 9.431 4.978 -13.590 1.00 42.23 N ATOM 1987 OXT ASN A 128 5.816 3.211 -16.502 1.00 0.00 O ATOM 0 H ASN A 128 6.554 3.714 -13.366 1.00 74.50 H new ATOM 0 HA ASN A 128 7.408 5.740 -15.331 1.00 50.14 H new ATOM 0 HB2 ASN A 128 7.960 2.777 -14.944 1.00 4.32 H new ATOM 0 HB3 ASN A 128 8.421 3.641 -16.398 1.00 4.32 H new ATOM 0 HD21 ASN A 128 10.272 5.300 -13.111 1.00 42.23 H new ATOM 0 HD22 ASN A 128 8.511 5.255 -13.248 1.00 42.23 H new