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 41 ASN : amide:sc= 1.12 K(o=2.2,f=-2.3) USER MOD Set 1.2: A 103 LYS NZ :NH3+ 179:sc= 1.04 (180deg=0) USER MOD Set 2.1: A 101 MET CE :methyl 145:sc= -1.12 (180deg=-2.92!) USER MOD Set 2.2: A 126 ASN : amide:sc= -0.0727 X(o=-1.2,f=-0.95) USER MOD Set 3.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 62 GLN : amide:sc= -0.638 K(o=-0.64,f=0.059) USER MOD Set 4.1: A 22 MET CE :methyl -138:sc= -0.274 (180deg=-1.89) USER MOD Set 4.2: A 71 THR OG1 : rot -170:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.2) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -19:sc= 0.35 USER MOD Single : A 37 SER OG : rot -37:sc= 0.302 USER MOD Single : A 38 CYS SG : rot 70:sc= -0.73 USER MOD Single : A 39 ASN : amide:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.0482 (180deg=-0.33) USER MOD Single : A 68 GLN : amide:sc=-0.00776 K(o=-0.0078,f=-1.2) USER MOD Single : A 69 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 ASN : amide:sc=-0.00744 X(o=-0.0074,f=-0.43) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -2.4! (180deg=-3.78!) USER MOD Single : A 80 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.013) USER MOD Single : A 84 ASN : amide:sc= -1.79! C(o=-1.8!,f=-8.1!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00206 USER MOD Single : A 90 GLN : amide:sc= -0.0791 X(o=-0.079,f=-0.11) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.0944 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 101:sc= 0.985 USER MOD Single : A 104 ASN : amide:sc= -0.639 K(o=-0.64,f=-1.8!) USER MOD Single : A 106 LYS NZ :NH3+ 158:sc= 1.27 (180deg=1.14) USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= -0.0212 (180deg=-0.199) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.99) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -109:sc= 1.32 (180deg=0.302) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.848 X(o=-0.85,f=-0.48) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 128 ASN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 9.516 3.567 7.217 1.00 21.52 N ATOM 308 CA MET A 22 9.053 4.086 5.928 1.00 22.33 C ATOM 309 C MET A 22 7.674 3.520 5.587 1.00 14.52 C ATOM 310 O MET A 22 6.911 4.117 4.825 1.00 13.11 O ATOM 311 CB MET A 22 10.061 3.744 4.824 1.00 12.04 C ATOM 312 CG MET A 22 11.374 4.507 4.937 1.00 21.41 C ATOM 313 SD MET A 22 11.168 6.283 4.693 1.00 2.01 S ATOM 314 CE MET A 22 10.544 6.316 3.012 1.00 73.53 C ATOM 0 HA MET A 22 8.971 5.171 6.000 1.00 22.33 H new ATOM 0 HB2 MET A 22 10.269 2.674 4.853 1.00 12.04 H new ATOM 0 HB3 MET A 22 9.610 3.955 3.854 1.00 12.04 H new ATOM 0 HG2 MET A 22 11.811 4.327 5.919 1.00 21.41 H new ATOM 0 HG3 MET A 22 12.078 4.122 4.200 1.00 21.41 H new ATOM 0 HE1 MET A 22 11.022 7.127 2.462 1.00 73.53 H new ATOM 0 HE2 MET A 22 10.764 5.367 2.523 1.00 73.53 H new ATOM 0 HE3 MET A 22 9.466 6.475 3.027 1.00 73.53 H new ATOM 324 N ILE A 23 7.372 2.355 6.157 1.00 34.41 N ATOM 325 CA ILE A 23 6.042 1.765 6.062 1.00 15.02 C ATOM 326 C ILE A 23 5.144 2.379 7.135 1.00 12.25 C ATOM 327 O ILE A 23 5.293 2.080 8.325 1.00 71.01 O ATOM 328 CB ILE A 23 6.079 0.226 6.248 1.00 33.25 C ATOM 329 CG1 ILE A 23 7.136 -0.414 5.325 1.00 75.13 C ATOM 330 CG2 ILE A 23 4.695 -0.378 5.991 1.00 62.13 C ATOM 331 CD1 ILE A 23 6.918 -0.154 3.848 1.00 73.33 C ATOM 0 H ILE A 23 8.038 1.799 6.693 1.00 34.41 H new ATOM 0 HA ILE A 23 5.651 1.974 5.066 1.00 15.02 H new ATOM 0 HB ILE A 23 6.361 0.013 7.279 1.00 33.25 H new ATOM 0 HG12 ILE A 23 8.120 -0.039 5.606 1.00 75.13 H new ATOM 0 HG13 ILE A 23 7.144 -1.491 5.494 1.00 75.13 H new ATOM 0 HG21 ILE A 23 4.739 -1.459 6.126 1.00 62.13 H new ATOM 0 HG22 ILE A 23 3.977 0.046 6.693 1.00 62.13 H new ATOM 0 HG23 ILE A 23 4.383 -0.152 4.971 1.00 62.13 H new ATOM 0 HD11 ILE A 23 7.706 -0.640 3.273 1.00 73.33 H new ATOM 0 HD12 ILE A 23 5.950 -0.554 3.547 1.00 73.33 H new ATOM 0 HD13 ILE A 23 6.941 0.919 3.660 1.00 73.33 H new ATOM 343 N GLU A 24 4.240 3.252 6.712 1.00 11.40 N ATOM 344 CA GLU A 24 3.344 3.952 7.628 1.00 61.42 C ATOM 345 C GLU A 24 2.204 3.026 8.054 1.00 50.35 C ATOM 346 O GLU A 24 1.947 2.016 7.403 1.00 54.13 O ATOM 347 CB GLU A 24 2.791 5.210 6.939 1.00 24.21 C ATOM 348 CG GLU A 24 2.028 6.152 7.865 1.00 62.35 C ATOM 349 CD GLU A 24 2.896 6.689 8.990 1.00 62.04 C ATOM 350 OE1 GLU A 24 3.907 7.361 8.693 1.00 4.13 O ATOM 351 OE2 GLU A 24 2.580 6.434 10.172 1.00 14.31 O ATOM 0 H GLU A 24 4.106 3.495 5.731 1.00 11.40 H new ATOM 0 HA GLU A 24 3.894 4.250 8.520 1.00 61.42 H new ATOM 0 HB2 GLU A 24 3.619 5.756 6.488 1.00 24.21 H new ATOM 0 HB3 GLU A 24 2.131 4.904 6.127 1.00 24.21 H new ATOM 0 HG2 GLU A 24 1.633 6.986 7.285 1.00 62.35 H new ATOM 0 HG3 GLU A 24 1.173 5.626 8.289 1.00 62.35 H new ATOM 358 N GLN A 25 1.528 3.360 9.151 1.00 54.43 N ATOM 359 CA GLN A 25 0.396 2.566 9.629 1.00 43.14 C ATOM 360 C GLN A 25 -0.756 3.470 10.076 1.00 43.30 C ATOM 361 O GLN A 25 -0.549 4.448 10.798 1.00 64.35 O ATOM 362 CB GLN A 25 0.839 1.618 10.756 1.00 74.14 C ATOM 363 CG GLN A 25 1.671 2.277 11.852 1.00 1.40 C ATOM 364 CD GLN A 25 2.183 1.273 12.877 1.00 35.54 C ATOM 365 OE1 GLN A 25 2.397 0.100 12.566 1.00 12.10 O ATOM 366 NE2 GLN A 25 2.383 1.725 14.102 1.00 11.24 N ATOM 0 H GLN A 25 1.743 4.174 9.726 1.00 54.43 H new ATOM 0 HA GLN A 25 0.030 1.955 8.804 1.00 43.14 H new ATOM 0 HB2 GLN A 25 -0.048 1.174 11.209 1.00 74.14 H new ATOM 0 HB3 GLN A 25 1.417 0.803 10.321 1.00 74.14 H new ATOM 0 HG2 GLN A 25 2.517 2.794 11.400 1.00 1.40 H new ATOM 0 HG3 GLN A 25 1.069 3.032 12.357 1.00 1.40 H new ATOM 0 HE21 GLN A 25 2.195 2.703 14.322 1.00 11.24 H new ATOM 0 HE22 GLN A 25 2.726 1.096 14.828 1.00 11.24 H new ATOM 375 N ILE A 26 -1.971 3.138 9.633 1.00 62.03 N ATOM 376 CA ILE A 26 -3.156 3.968 9.874 1.00 55.22 C ATOM 377 C ILE A 26 -4.400 3.100 10.084 1.00 4.03 C ATOM 378 O ILE A 26 -4.325 1.868 10.040 1.00 21.24 O ATOM 379 CB ILE A 26 -3.427 4.933 8.686 1.00 12.32 C ATOM 380 CG1 ILE A 26 -3.576 4.141 7.372 1.00 55.04 C ATOM 381 CG2 ILE A 26 -2.327 5.987 8.570 1.00 1.41 C ATOM 382 CD1 ILE A 26 -3.916 4.999 6.169 1.00 65.32 C ATOM 0 H ILE A 26 -2.162 2.290 9.099 1.00 62.03 H new ATOM 0 HA ILE A 26 -2.953 4.550 10.773 1.00 55.22 H new ATOM 0 HB ILE A 26 -4.364 5.455 8.879 1.00 12.32 H new ATOM 0 HG12 ILE A 26 -2.646 3.608 7.174 1.00 55.04 H new ATOM 0 HG13 ILE A 26 -4.354 3.388 7.500 1.00 55.04 H new ATOM 0 HG21 ILE A 26 -2.543 6.648 7.731 1.00 1.41 H new ATOM 0 HG22 ILE A 26 -2.284 6.571 9.490 1.00 1.41 H new ATOM 0 HG23 ILE A 26 -1.368 5.495 8.407 1.00 1.41 H new ATOM 0 HD11 ILE A 26 -4.004 4.368 5.285 1.00 65.32 H new ATOM 0 HD12 ILE A 26 -4.862 5.512 6.344 1.00 65.32 H new ATOM 0 HD13 ILE A 26 -3.127 5.735 6.013 1.00 65.32 H new ATOM 394 N GLY A 27 -5.539 3.753 10.320 1.00 72.43 N ATOM 395 CA GLY A 27 -6.817 3.057 10.422 1.00 0.33 C ATOM 396 C GLY A 27 -7.796 3.501 9.345 1.00 23.10 C ATOM 397 O GLY A 27 -7.402 4.160 8.389 1.00 1.12 O ATOM 0 H GLY A 27 -5.600 4.764 10.444 1.00 72.43 H new ATOM 0 HA2 GLY A 27 -6.652 1.983 10.341 1.00 0.33 H new ATOM 0 HA3 GLY A 27 -7.252 3.240 11.405 1.00 0.33 H new ATOM 401 N ASP A 28 -9.076 3.158 9.520 1.00 62.01 N ATOM 402 CA ASP A 28 -10.124 3.473 8.538 1.00 24.11 C ATOM 403 C ASP A 28 -10.364 4.978 8.470 1.00 3.12 C ATOM 404 O ASP A 28 -10.337 5.573 7.389 1.00 20.23 O ATOM 405 CB ASP A 28 -11.437 2.752 8.902 1.00 65.31 C ATOM 406 CG ASP A 28 -12.608 3.133 7.999 1.00 51.11 C ATOM 407 OD1 ASP A 28 -13.228 4.193 8.236 1.00 45.51 O ATOM 408 OD2 ASP A 28 -12.936 2.363 7.070 1.00 12.24 O ATOM 0 H ASP A 28 -9.416 2.657 10.341 1.00 62.01 H new ATOM 0 HA ASP A 28 -9.787 3.127 7.561 1.00 24.11 H new ATOM 0 HB2 ASP A 28 -11.279 1.675 8.845 1.00 65.31 H new ATOM 0 HB3 ASP A 28 -11.695 2.982 9.936 1.00 65.31 H new ATOM 413 N SER A 29 -10.578 5.586 9.636 1.00 5.13 N ATOM 414 CA SER A 29 -10.824 7.025 9.731 1.00 74.24 C ATOM 415 C SER A 29 -9.681 7.814 9.089 1.00 13.35 C ATOM 416 O SER A 29 -9.861 8.949 8.647 1.00 33.13 O ATOM 417 CB SER A 29 -10.989 7.429 11.201 1.00 73.03 C ATOM 418 OG SER A 29 -11.979 6.634 11.835 1.00 53.10 O ATOM 0 H SER A 29 -10.586 5.101 10.533 1.00 5.13 H new ATOM 0 HA SER A 29 -11.742 7.258 9.192 1.00 74.24 H new ATOM 0 HB2 SER A 29 -10.038 7.317 11.722 1.00 73.03 H new ATOM 0 HB3 SER A 29 -11.266 8.481 11.265 1.00 73.03 H new ATOM 0 HG SER A 29 -12.067 6.907 12.772 1.00 53.10 H new ATOM 424 N GLU A 30 -8.506 7.193 9.039 1.00 22.34 N ATOM 425 CA GLU A 30 -7.333 7.802 8.428 1.00 22.11 C ATOM 426 C GLU A 30 -7.192 7.348 6.975 1.00 63.03 C ATOM 427 O GLU A 30 -6.718 8.101 6.133 1.00 15.43 O ATOM 428 CB GLU A 30 -6.068 7.421 9.210 1.00 11.22 C ATOM 429 CG GLU A 30 -6.112 7.799 10.687 1.00 13.14 C ATOM 430 CD GLU A 30 -4.858 7.366 11.435 1.00 2.45 C ATOM 431 OE1 GLU A 30 -4.755 6.171 11.784 1.00 24.21 O ATOM 432 OE2 GLU A 30 -3.970 8.215 11.669 1.00 72.24 O ATOM 0 H GLU A 30 -8.342 6.260 9.418 1.00 22.34 H new ATOM 0 HA GLU A 30 -7.457 8.885 8.452 1.00 22.11 H new ATOM 0 HB2 GLU A 30 -5.912 6.346 9.126 1.00 11.22 H new ATOM 0 HB3 GLU A 30 -5.208 7.905 8.747 1.00 11.22 H new ATOM 0 HG2 GLU A 30 -6.232 8.878 10.780 1.00 13.14 H new ATOM 0 HG3 GLU A 30 -6.985 7.340 11.151 1.00 13.14 H new ATOM 439 N PHE A 31 -7.637 6.123 6.701 1.00 33.10 N ATOM 440 CA PHE A 31 -7.422 5.464 5.409 1.00 11.22 C ATOM 441 C PHE A 31 -7.821 6.359 4.243 1.00 3.22 C ATOM 442 O PHE A 31 -6.976 6.731 3.428 1.00 4.21 O ATOM 443 CB PHE A 31 -8.212 4.147 5.356 1.00 21.32 C ATOM 444 CG PHE A 31 -8.100 3.403 4.046 1.00 62.15 C ATOM 445 CD1 PHE A 31 -6.955 2.680 3.736 1.00 41.21 C ATOM 446 CD2 PHE A 31 -9.143 3.422 3.128 1.00 64.32 C ATOM 447 CE1 PHE A 31 -6.856 1.992 2.541 1.00 53.31 C ATOM 448 CE2 PHE A 31 -9.044 2.736 1.932 1.00 64.11 C ATOM 449 CZ PHE A 31 -7.901 2.021 1.640 1.00 33.31 C ATOM 0 H PHE A 31 -8.159 5.556 7.369 1.00 33.10 H new ATOM 0 HA PHE A 31 -6.356 5.256 5.315 1.00 11.22 H new ATOM 0 HB2 PHE A 31 -7.865 3.497 6.159 1.00 21.32 H new ATOM 0 HB3 PHE A 31 -9.263 4.360 5.550 1.00 21.32 H new ATOM 0 HD1 PHE A 31 -6.133 2.655 4.436 1.00 41.21 H new ATOM 0 HD2 PHE A 31 -10.041 3.979 3.351 1.00 64.32 H new ATOM 0 HE1 PHE A 31 -5.961 1.432 2.313 1.00 53.31 H new ATOM 0 HE2 PHE A 31 -9.861 2.760 1.226 1.00 64.11 H new ATOM 0 HZ PHE A 31 -7.824 1.484 0.706 1.00 33.31 H new ATOM 459 N ASP A 32 -9.101 6.721 4.188 1.00 4.14 N ATOM 460 CA ASP A 32 -9.614 7.557 3.106 1.00 62.44 C ATOM 461 C ASP A 32 -8.793 8.824 2.979 1.00 0.21 C ATOM 462 O ASP A 32 -8.224 9.097 1.927 1.00 14.40 O ATOM 463 CB ASP A 32 -11.087 7.917 3.333 1.00 43.40 C ATOM 464 CG ASP A 32 -11.564 9.034 2.410 1.00 5.04 C ATOM 465 OD1 ASP A 32 -11.871 8.751 1.232 1.00 55.33 O ATOM 466 OD2 ASP A 32 -11.627 10.200 2.858 1.00 72.22 O ATOM 0 H ASP A 32 -9.800 6.449 4.879 1.00 4.14 H new ATOM 0 HA ASP A 32 -9.536 6.985 2.182 1.00 62.44 H new ATOM 0 HB2 ASP A 32 -11.703 7.032 3.175 1.00 43.40 H new ATOM 0 HB3 ASP A 32 -11.228 8.222 4.370 1.00 43.40 H new ATOM 471 N ASN A 33 -8.706 9.568 4.074 1.00 5.50 N ATOM 472 CA ASN A 33 -8.016 10.853 4.083 1.00 54.04 C ATOM 473 C ASN A 33 -6.589 10.725 3.561 1.00 64.30 C ATOM 474 O ASN A 33 -6.228 11.375 2.584 1.00 41.33 O ATOM 475 CB ASN A 33 -8.025 11.460 5.494 1.00 35.35 C ATOM 476 CG ASN A 33 -9.344 12.143 5.844 1.00 0.44 C ATOM 477 OD1 ASN A 33 -9.371 13.100 6.620 1.00 73.40 O ATOM 478 ND2 ASN A 33 -10.444 11.673 5.269 1.00 11.23 N ATOM 0 H ASN A 33 -9.107 9.302 4.973 1.00 5.50 H new ATOM 0 HA ASN A 33 -8.554 11.523 3.412 1.00 54.04 H new ATOM 0 HB2 ASN A 33 -7.825 10.674 6.222 1.00 35.35 H new ATOM 0 HB3 ASN A 33 -7.215 12.184 5.577 1.00 35.35 H new ATOM 0 HD21 ASN A 33 -11.347 12.106 5.465 1.00 11.23 H new ATOM 0 HD22 ASN A 33 -10.387 10.879 4.631 1.00 11.23 H new ATOM 485 N LYS A 34 -5.792 9.866 4.192 1.00 41.40 N ATOM 486 CA LYS A 34 -4.389 9.687 3.808 1.00 31.01 C ATOM 487 C LYS A 34 -4.287 9.305 2.330 1.00 15.32 C ATOM 488 O LYS A 34 -3.396 9.769 1.618 1.00 42.11 O ATOM 489 CB LYS A 34 -3.720 8.604 4.669 1.00 64.25 C ATOM 490 CG LYS A 34 -3.835 8.826 6.178 1.00 72.12 C ATOM 491 CD LYS A 34 -3.089 10.070 6.655 1.00 63.34 C ATOM 492 CE LYS A 34 -3.159 10.206 8.176 1.00 73.31 C ATOM 493 NZ LYS A 34 -2.459 11.423 8.675 1.00 54.33 N ATOM 0 H LYS A 34 -6.092 9.281 4.972 1.00 41.40 H new ATOM 0 HA LYS A 34 -3.872 10.632 3.971 1.00 31.01 H new ATOM 0 HB2 LYS A 34 -4.162 7.639 4.423 1.00 64.25 H new ATOM 0 HB3 LYS A 34 -2.664 8.548 4.403 1.00 64.25 H new ATOM 0 HG2 LYS A 34 -4.887 8.914 6.448 1.00 72.12 H new ATOM 0 HG3 LYS A 34 -3.444 7.952 6.699 1.00 72.12 H new ATOM 0 HD2 LYS A 34 -2.047 10.016 6.339 1.00 63.34 H new ATOM 0 HD3 LYS A 34 -3.518 10.956 6.188 1.00 63.34 H new ATOM 0 HE2 LYS A 34 -4.203 10.239 8.486 1.00 73.31 H new ATOM 0 HE3 LYS A 34 -2.717 9.323 8.637 1.00 73.31 H new ATOM 0 HZ1 LYS A 34 -2.536 11.468 9.711 1.00 54.33 H new ATOM 0 HZ2 LYS A 34 -1.456 11.382 8.404 1.00 54.33 H new ATOM 0 HZ3 LYS A 34 -2.896 12.270 8.259 1.00 54.33 H new ATOM 507 N VAL A 35 -5.220 8.469 1.879 1.00 42.22 N ATOM 508 CA VAL A 35 -5.246 7.997 0.497 1.00 64.51 C ATOM 509 C VAL A 35 -5.548 9.133 -0.491 1.00 54.31 C ATOM 510 O VAL A 35 -4.792 9.359 -1.437 1.00 73.32 O ATOM 511 CB VAL A 35 -6.272 6.845 0.326 1.00 40.55 C ATOM 512 CG1 VAL A 35 -6.729 6.715 -1.122 1.00 30.10 C ATOM 513 CG2 VAL A 35 -5.675 5.526 0.827 1.00 62.13 C ATOM 0 H VAL A 35 -5.975 8.102 2.458 1.00 42.22 H new ATOM 0 HA VAL A 35 -4.250 7.617 0.269 1.00 64.51 H new ATOM 0 HB VAL A 35 -7.150 7.084 0.926 1.00 40.55 H new ATOM 0 HG11 VAL A 35 -7.447 5.899 -1.205 1.00 30.10 H new ATOM 0 HG12 VAL A 35 -7.199 7.646 -1.440 1.00 30.10 H new ATOM 0 HG13 VAL A 35 -5.868 6.507 -1.758 1.00 30.10 H new ATOM 0 HG21 VAL A 35 -6.404 4.726 0.702 1.00 62.13 H new ATOM 0 HG22 VAL A 35 -4.778 5.292 0.254 1.00 62.13 H new ATOM 0 HG23 VAL A 35 -5.418 5.621 1.882 1.00 62.13 H new ATOM 523 N THR A 36 -6.652 9.837 -0.281 1.00 23.01 N ATOM 524 CA THR A 36 -7.042 10.929 -1.172 1.00 73.00 C ATOM 525 C THR A 36 -6.195 12.184 -0.910 1.00 2.13 C ATOM 526 O THR A 36 -6.272 13.161 -1.655 1.00 51.21 O ATOM 527 CB THR A 36 -8.556 11.249 -1.028 1.00 12.42 C ATOM 528 OG1 THR A 36 -8.950 12.317 -1.906 1.00 52.23 O ATOM 529 CG2 THR A 36 -8.902 11.612 0.408 1.00 52.15 C ATOM 0 H THR A 36 -7.294 9.675 0.495 1.00 23.01 H new ATOM 0 HA THR A 36 -6.859 10.605 -2.196 1.00 73.00 H new ATOM 0 HB THR A 36 -9.104 10.349 -1.307 1.00 12.42 H new ATOM 0 HG1 THR A 36 -8.156 12.817 -2.189 1.00 52.23 H new ATOM 0 HG21 THR A 36 -9.967 11.831 0.481 1.00 52.15 H new ATOM 0 HG22 THR A 36 -8.658 10.776 1.064 1.00 52.15 H new ATOM 0 HG23 THR A 36 -8.329 12.489 0.710 1.00 52.15 H new ATOM 537 N SER A 37 -5.382 12.141 0.148 1.00 4.23 N ATOM 538 CA SER A 37 -4.483 13.245 0.491 1.00 55.04 C ATOM 539 C SER A 37 -3.278 13.308 -0.454 1.00 30.21 C ATOM 540 O SER A 37 -2.457 14.223 -0.351 1.00 65.55 O ATOM 541 CB SER A 37 -4.002 13.095 1.941 1.00 55.32 C ATOM 542 OG SER A 37 -3.270 14.231 2.380 1.00 54.25 O ATOM 0 H SER A 37 -5.328 11.347 0.786 1.00 4.23 H new ATOM 0 HA SER A 37 -5.041 14.175 0.383 1.00 55.04 H new ATOM 0 HB2 SER A 37 -4.861 12.943 2.594 1.00 55.32 H new ATOM 0 HB3 SER A 37 -3.377 12.206 2.025 1.00 55.32 H new ATOM 0 HG SER A 37 -2.724 14.574 1.642 1.00 54.25 H new ATOM 548 N CYS A 38 -3.161 12.329 -1.353 1.00 12.55 N ATOM 549 CA CYS A 38 -2.087 12.328 -2.343 1.00 51.21 C ATOM 550 C CYS A 38 -2.131 13.614 -3.170 1.00 34.11 C ATOM 551 O CYS A 38 -2.896 13.711 -4.131 1.00 11.41 O ATOM 552 CB CYS A 38 -2.202 11.113 -3.268 1.00 4.44 C ATOM 553 SG CYS A 38 -2.207 9.522 -2.416 1.00 65.30 S ATOM 0 H CYS A 38 -3.794 11.532 -1.415 1.00 12.55 H new ATOM 0 HA CYS A 38 -1.136 12.274 -1.814 1.00 51.21 H new ATOM 0 HB2 CYS A 38 -3.119 11.202 -3.851 1.00 4.44 H new ATOM 0 HB3 CYS A 38 -1.372 11.130 -3.974 1.00 4.44 H new ATOM 0 HG CYS A 38 -3.319 9.387 -1.756 1.00 65.30 H new ATOM 559 N ASN A 39 -1.320 14.595 -2.773 1.00 14.13 N ATOM 560 CA ASN A 39 -1.294 15.905 -3.425 1.00 61.50 C ATOM 561 C ASN A 39 -1.138 15.767 -4.938 1.00 42.42 C ATOM 562 O ASN A 39 -1.827 16.444 -5.702 1.00 32.33 O ATOM 563 CB ASN A 39 -0.164 16.768 -2.848 1.00 51.30 C ATOM 564 CG ASN A 39 -0.115 18.156 -3.470 1.00 42.13 C ATOM 565 OD1 ASN A 39 -0.768 19.084 -2.997 1.00 4.10 O ATOM 566 ND2 ASN A 39 0.663 18.307 -4.529 1.00 21.42 N ATOM 0 H ASN A 39 -0.666 14.505 -1.995 1.00 14.13 H new ATOM 0 HA ASN A 39 -2.247 16.396 -3.229 1.00 61.50 H new ATOM 0 HB2 ASN A 39 -0.296 16.861 -1.770 1.00 51.30 H new ATOM 0 HB3 ASN A 39 0.790 16.267 -3.010 1.00 51.30 H new ATOM 0 HD21 ASN A 39 0.736 19.218 -4.982 1.00 21.42 H new ATOM 0 HD22 ASN A 39 1.190 17.513 -4.892 1.00 21.42 H new ATOM 573 N ASP A 40 -0.229 14.896 -5.370 1.00 64.23 N ATOM 574 CA ASP A 40 -0.097 14.588 -6.791 1.00 63.22 C ATOM 575 C ASP A 40 0.530 13.211 -6.996 1.00 42.34 C ATOM 576 O ASP A 40 1.636 12.950 -6.530 1.00 73.23 O ATOM 577 CB ASP A 40 0.749 15.656 -7.499 1.00 3.31 C ATOM 578 CG ASP A 40 0.796 15.458 -9.009 1.00 51.30 C ATOM 579 OD1 ASP A 40 -0.098 15.980 -9.710 1.00 63.42 O ATOM 580 OD2 ASP A 40 1.723 14.783 -9.503 1.00 75.33 O ATOM 0 H ASP A 40 0.421 14.396 -4.763 1.00 64.23 H new ATOM 0 HA ASP A 40 -1.097 14.583 -7.225 1.00 63.22 H new ATOM 0 HB2 ASP A 40 0.342 16.643 -7.278 1.00 3.31 H new ATOM 0 HB3 ASP A 40 1.764 15.633 -7.101 1.00 3.31 H new ATOM 585 N ASN A 41 -0.211 12.344 -7.690 1.00 71.41 N ATOM 586 CA ASN A 41 0.251 11.014 -8.127 1.00 54.35 C ATOM 587 C ASN A 41 1.060 10.245 -7.078 1.00 43.44 C ATOM 588 O ASN A 41 1.838 9.357 -7.428 1.00 73.21 O ATOM 589 CB ASN A 41 1.054 11.125 -9.431 1.00 20.22 C ATOM 590 CG ASN A 41 0.177 11.492 -10.615 1.00 60.34 C ATOM 591 OD1 ASN A 41 -0.426 10.620 -11.247 1.00 21.34 O ATOM 592 ND2 ASN A 41 0.096 12.776 -10.920 1.00 64.33 N ATOM 0 H ASN A 41 -1.170 12.546 -7.972 1.00 71.41 H new ATOM 0 HA ASN A 41 -0.657 10.433 -8.289 1.00 54.35 H new ATOM 0 HB2 ASN A 41 1.834 11.877 -9.312 1.00 20.22 H new ATOM 0 HB3 ASN A 41 1.553 10.177 -9.631 1.00 20.22 H new ATOM 0 HD21 ASN A 41 -0.482 13.078 -11.704 1.00 64.33 H new ATOM 0 HD22 ASN A 41 0.611 13.464 -10.371 1.00 64.33 H new ATOM 599 N ILE A 42 0.858 10.547 -5.801 1.00 43.50 N ATOM 600 CA ILE A 42 1.523 9.800 -4.741 1.00 51.24 C ATOM 601 C ILE A 42 0.937 8.391 -4.666 1.00 22.12 C ATOM 602 O ILE A 42 -0.157 8.190 -4.133 1.00 55.41 O ATOM 603 CB ILE A 42 1.392 10.499 -3.361 1.00 62.13 C ATOM 604 CG1 ILE A 42 1.970 11.926 -3.416 1.00 40.41 C ATOM 605 CG2 ILE A 42 2.085 9.679 -2.270 1.00 33.14 C ATOM 606 CD1 ILE A 42 3.445 11.981 -3.764 1.00 22.41 C ATOM 0 H ILE A 42 0.246 11.296 -5.477 1.00 43.50 H new ATOM 0 HA ILE A 42 2.585 9.753 -4.983 1.00 51.24 H new ATOM 0 HB ILE A 42 0.332 10.568 -3.115 1.00 62.13 H new ATOM 0 HG12 ILE A 42 1.412 12.505 -4.152 1.00 40.41 H new ATOM 0 HG13 ILE A 42 1.817 12.406 -2.450 1.00 40.41 H new ATOM 0 HG21 ILE A 42 1.981 10.187 -1.311 1.00 33.14 H new ATOM 0 HG22 ILE A 42 1.626 8.692 -2.209 1.00 33.14 H new ATOM 0 HG23 ILE A 42 3.143 9.573 -2.511 1.00 33.14 H new ATOM 0 HD11 ILE A 42 3.776 13.019 -3.783 1.00 22.41 H new ATOM 0 HD12 ILE A 42 4.016 11.432 -3.016 1.00 22.41 H new ATOM 0 HD13 ILE A 42 3.605 11.532 -4.744 1.00 22.41 H new ATOM 618 N LEU A 43 1.648 7.432 -5.247 1.00 60.35 N ATOM 619 CA LEU A 43 1.225 6.041 -5.245 1.00 1.53 C ATOM 620 C LEU A 43 1.286 5.471 -3.833 1.00 1.33 C ATOM 621 O LEU A 43 2.362 5.357 -3.233 1.00 72.21 O ATOM 622 CB LEU A 43 2.094 5.208 -6.201 1.00 13.41 C ATOM 623 CG LEU A 43 1.875 3.684 -6.141 1.00 13.41 C ATOM 624 CD1 LEU A 43 0.401 3.331 -6.339 1.00 62.32 C ATOM 625 CD2 LEU A 43 2.750 2.973 -7.177 1.00 52.54 C ATOM 0 H LEU A 43 2.531 7.598 -5.731 1.00 60.35 H new ATOM 0 HA LEU A 43 0.193 5.994 -5.594 1.00 1.53 H new ATOM 0 HB2 LEU A 43 1.906 5.544 -7.221 1.00 13.41 H new ATOM 0 HB3 LEU A 43 3.142 5.415 -5.985 1.00 13.41 H new ATOM 0 HG LEU A 43 2.169 3.339 -5.150 1.00 13.41 H new ATOM 0 HD11 LEU A 43 0.276 2.249 -6.292 1.00 62.32 H new ATOM 0 HD12 LEU A 43 -0.194 3.799 -5.555 1.00 62.32 H new ATOM 0 HD13 LEU A 43 0.068 3.692 -7.312 1.00 62.32 H new ATOM 0 HD21 LEU A 43 2.581 1.898 -7.119 1.00 52.54 H new ATOM 0 HD22 LEU A 43 2.493 3.328 -8.175 1.00 52.54 H new ATOM 0 HD23 LEU A 43 3.800 3.187 -6.975 1.00 52.54 H new ATOM 637 N ILE A 44 0.120 5.128 -3.311 1.00 4.10 N ATOM 638 CA ILE A 44 -0.011 4.571 -1.977 1.00 74.11 C ATOM 639 C ILE A 44 -0.260 3.067 -2.039 1.00 32.41 C ATOM 640 O ILE A 44 -1.228 2.611 -2.641 1.00 32.23 O ATOM 641 CB ILE A 44 -1.155 5.273 -1.198 1.00 63.51 C ATOM 642 CG1 ILE A 44 -0.706 6.682 -0.767 1.00 43.01 C ATOM 643 CG2 ILE A 44 -1.605 4.434 -0.001 1.00 72.54 C ATOM 644 CD1 ILE A 44 -1.752 7.458 0.001 1.00 31.10 C ATOM 0 H ILE A 44 -0.767 5.229 -3.805 1.00 4.10 H new ATOM 0 HA ILE A 44 0.926 4.744 -1.448 1.00 74.11 H new ATOM 0 HB ILE A 44 -2.018 5.374 -1.856 1.00 63.51 H new ATOM 0 HG12 ILE A 44 0.189 6.593 -0.151 1.00 43.01 H new ATOM 0 HG13 ILE A 44 -0.428 7.250 -1.655 1.00 43.01 H new ATOM 0 HG21 ILE A 44 -2.407 4.952 0.525 1.00 72.54 H new ATOM 0 HG22 ILE A 44 -1.965 3.466 -0.350 1.00 72.54 H new ATOM 0 HG23 ILE A 44 -0.764 4.286 0.676 1.00 72.54 H new ATOM 0 HD11 ILE A 44 -1.356 8.438 0.266 1.00 31.10 H new ATOM 0 HD12 ILE A 44 -2.641 7.581 -0.618 1.00 31.10 H new ATOM 0 HD13 ILE A 44 -2.014 6.915 0.909 1.00 31.10 H new ATOM 656 N LEU A 45 0.636 2.305 -1.430 1.00 44.22 N ATOM 657 CA LEU A 45 0.490 0.859 -1.344 1.00 43.41 C ATOM 658 C LEU A 45 0.070 0.483 0.073 1.00 42.34 C ATOM 659 O LEU A 45 0.845 0.646 1.008 1.00 25.41 O ATOM 660 CB LEU A 45 1.806 0.143 -1.697 1.00 45.23 C ATOM 661 CG LEU A 45 2.353 0.393 -3.118 1.00 1.40 C ATOM 662 CD1 LEU A 45 2.945 1.796 -3.250 1.00 22.25 C ATOM 663 CD2 LEU A 45 3.392 -0.663 -3.484 1.00 1.42 C ATOM 0 H LEU A 45 1.479 2.668 -0.984 1.00 44.22 H new ATOM 0 HA LEU A 45 -0.269 0.545 -2.060 1.00 43.41 H new ATOM 0 HB2 LEU A 45 2.566 0.448 -0.978 1.00 45.23 H new ATOM 0 HB3 LEU A 45 1.658 -0.929 -1.570 1.00 45.23 H new ATOM 0 HG LEU A 45 1.518 0.318 -3.814 1.00 1.40 H new ATOM 0 HD11 LEU A 45 3.321 1.938 -4.263 1.00 22.25 H new ATOM 0 HD12 LEU A 45 2.174 2.537 -3.042 1.00 22.25 H new ATOM 0 HD13 LEU A 45 3.763 1.914 -2.539 1.00 22.25 H new ATOM 0 HD21 LEU A 45 3.767 -0.471 -4.489 1.00 1.42 H new ATOM 0 HD22 LEU A 45 4.218 -0.622 -2.774 1.00 1.42 H new ATOM 0 HD23 LEU A 45 2.934 -1.651 -3.450 1.00 1.42 H new ATOM 675 N VAL A 46 -1.160 0.018 0.235 1.00 11.20 N ATOM 676 CA VAL A 46 -1.666 -0.364 1.551 1.00 12.14 C ATOM 677 C VAL A 46 -1.498 -1.864 1.774 1.00 10.13 C ATOM 678 O VAL A 46 -2.171 -2.672 1.124 1.00 40.02 O ATOM 679 CB VAL A 46 -3.159 0.023 1.722 1.00 32.21 C ATOM 680 CG1 VAL A 46 -3.663 -0.348 3.118 1.00 42.12 C ATOM 681 CG2 VAL A 46 -3.364 1.514 1.452 1.00 73.02 C ATOM 0 H VAL A 46 -1.828 -0.105 -0.526 1.00 11.20 H new ATOM 0 HA VAL A 46 -1.083 0.180 2.294 1.00 12.14 H new ATOM 0 HB VAL A 46 -3.740 -0.541 0.992 1.00 32.21 H new ATOM 0 HG11 VAL A 46 -4.712 -0.067 3.213 1.00 42.12 H new ATOM 0 HG12 VAL A 46 -3.561 -1.423 3.268 1.00 42.12 H new ATOM 0 HG13 VAL A 46 -3.076 0.181 3.869 1.00 42.12 H new ATOM 0 HG21 VAL A 46 -4.417 1.765 1.577 1.00 73.02 H new ATOM 0 HG22 VAL A 46 -2.766 2.096 2.153 1.00 73.02 H new ATOM 0 HG23 VAL A 46 -3.055 1.745 0.433 1.00 73.02 H new ATOM 691 N ASP A 47 -0.591 -2.238 2.673 1.00 13.43 N ATOM 692 CA ASP A 47 -0.353 -3.645 2.972 1.00 0.20 C ATOM 693 C ASP A 47 -1.242 -4.109 4.126 1.00 30.01 C ATOM 694 O ASP A 47 -1.338 -3.451 5.166 1.00 2.01 O ATOM 695 CB ASP A 47 1.133 -3.912 3.297 1.00 43.51 C ATOM 696 CG ASP A 47 1.554 -3.472 4.698 1.00 13.34 C ATOM 697 OD1 ASP A 47 1.941 -2.300 4.877 1.00 35.20 O ATOM 698 OD2 ASP A 47 1.526 -4.308 5.629 1.00 0.35 O ATOM 0 H ASP A 47 -0.012 -1.588 3.205 1.00 13.43 H new ATOM 0 HA ASP A 47 -0.608 -4.218 2.081 1.00 0.20 H new ATOM 0 HB2 ASP A 47 1.332 -4.978 3.188 1.00 43.51 H new ATOM 0 HB3 ASP A 47 1.753 -3.395 2.564 1.00 43.51 H new ATOM 703 N PHE A 48 -1.931 -5.222 3.908 1.00 42.22 N ATOM 704 CA PHE A 48 -2.658 -5.902 4.967 1.00 3.43 C ATOM 705 C PHE A 48 -1.778 -7.020 5.513 1.00 14.23 C ATOM 706 O PHE A 48 -1.835 -8.164 5.057 1.00 3.15 O ATOM 707 CB PHE A 48 -4.001 -6.448 4.453 1.00 23.13 C ATOM 708 CG PHE A 48 -5.017 -5.372 4.133 1.00 54.32 C ATOM 709 CD1 PHE A 48 -4.835 -4.518 3.054 1.00 23.23 C ATOM 710 CD2 PHE A 48 -6.153 -5.216 4.917 1.00 21.15 C ATOM 711 CE1 PHE A 48 -5.761 -3.532 2.766 1.00 45.42 C ATOM 712 CE2 PHE A 48 -7.081 -4.231 4.633 1.00 43.21 C ATOM 713 CZ PHE A 48 -6.886 -3.390 3.554 1.00 4.13 C ATOM 0 H PHE A 48 -2.000 -5.675 2.997 1.00 42.22 H new ATOM 0 HA PHE A 48 -2.890 -5.198 5.766 1.00 3.43 H new ATOM 0 HB2 PHE A 48 -3.822 -7.043 3.557 1.00 23.13 H new ATOM 0 HB3 PHE A 48 -4.420 -7.119 5.203 1.00 23.13 H new ATOM 0 HD1 PHE A 48 -3.959 -4.625 2.431 1.00 23.23 H new ATOM 0 HD2 PHE A 48 -6.314 -5.873 5.759 1.00 21.15 H new ATOM 0 HE1 PHE A 48 -5.604 -2.873 1.925 1.00 45.42 H new ATOM 0 HE2 PHE A 48 -7.957 -4.119 5.254 1.00 43.21 H new ATOM 0 HZ PHE A 48 -7.612 -2.623 3.327 1.00 4.13 H new ATOM 836 N ARG A 57 7.810 -11.277 6.330 1.00 54.23 N ATOM 837 CA ARG A 57 8.921 -10.837 7.170 1.00 0.42 C ATOM 838 C ARG A 57 9.972 -10.095 6.341 1.00 51.02 C ATOM 839 O ARG A 57 10.457 -9.037 6.736 1.00 70.41 O ATOM 840 CB ARG A 57 9.556 -12.057 7.847 1.00 41.02 C ATOM 841 CG ARG A 57 10.648 -11.725 8.856 1.00 42.30 C ATOM 842 CD ARG A 57 11.366 -12.982 9.323 1.00 32.21 C ATOM 843 NE ARG A 57 12.312 -12.706 10.399 1.00 33.25 N ATOM 844 CZ ARG A 57 13.635 -12.785 10.276 1.00 62.20 C ATOM 845 NH1 ARG A 57 14.190 -13.014 9.091 1.00 61.12 N ATOM 846 NH2 ARG A 57 14.401 -12.594 11.337 1.00 22.50 N ATOM 0 HA ARG A 57 8.540 -10.151 7.926 1.00 0.42 H new ATOM 0 HB2 ARG A 57 8.774 -12.624 8.351 1.00 41.02 H new ATOM 0 HB3 ARG A 57 9.975 -12.706 7.078 1.00 41.02 H new ATOM 0 HG2 ARG A 57 11.366 -11.039 8.406 1.00 42.30 H new ATOM 0 HG3 ARG A 57 10.211 -11.213 9.713 1.00 42.30 H new ATOM 0 HD2 ARG A 57 10.632 -13.712 9.664 1.00 32.21 H new ATOM 0 HD3 ARG A 57 11.895 -13.431 8.482 1.00 32.21 H new ATOM 0 HE ARG A 57 11.934 -12.434 11.307 1.00 33.25 H new ATOM 0 HH11 ARG A 57 13.601 -13.131 8.266 1.00 61.12 H new ATOM 0 HH12 ARG A 57 15.205 -13.073 9.006 1.00 61.12 H new ATOM 0 HH21 ARG A 57 13.977 -12.388 12.242 1.00 22.50 H new ATOM 0 HH22 ARG A 57 15.416 -12.653 11.251 1.00 22.50 H new ATOM 860 N SER A 58 10.323 -10.678 5.198 1.00 11.42 N ATOM 861 CA SER A 58 11.295 -10.085 4.279 1.00 22.31 C ATOM 862 C SER A 58 10.670 -8.910 3.518 1.00 2.44 C ATOM 863 O SER A 58 11.310 -7.870 3.283 1.00 4.32 O ATOM 864 CB SER A 58 11.788 -11.160 3.296 1.00 62.42 C ATOM 865 OG SER A 58 12.717 -10.633 2.362 1.00 50.14 O ATOM 0 H SER A 58 9.945 -11.571 4.882 1.00 11.42 H new ATOM 0 HA SER A 58 12.141 -9.704 4.851 1.00 22.31 H new ATOM 0 HB2 SER A 58 12.253 -11.975 3.851 1.00 62.42 H new ATOM 0 HB3 SER A 58 10.937 -11.583 2.763 1.00 62.42 H new ATOM 0 HG SER A 58 13.009 -11.344 1.755 1.00 50.14 H new ATOM 871 N LEU A 59 9.407 -9.088 3.144 1.00 30.21 N ATOM 872 CA LEU A 59 8.692 -8.113 2.329 1.00 42.40 C ATOM 873 C LEU A 59 8.756 -6.713 2.927 1.00 12.30 C ATOM 874 O LEU A 59 9.028 -5.757 2.210 1.00 72.21 O ATOM 875 CB LEU A 59 7.225 -8.541 2.129 1.00 31.33 C ATOM 876 CG LEU A 59 6.914 -9.257 0.805 1.00 45.30 C ATOM 877 CD1 LEU A 59 7.087 -8.304 -0.369 1.00 32.15 C ATOM 878 CD2 LEU A 59 7.788 -10.495 0.629 1.00 63.15 C ATOM 0 H LEU A 59 8.853 -9.907 3.396 1.00 30.21 H new ATOM 0 HA LEU A 59 9.187 -8.080 1.359 1.00 42.40 H new ATOM 0 HB2 LEU A 59 6.942 -9.198 2.951 1.00 31.33 H new ATOM 0 HB3 LEU A 59 6.595 -7.655 2.198 1.00 31.33 H new ATOM 0 HG LEU A 59 5.875 -9.585 0.835 1.00 45.30 H new ATOM 0 HD11 LEU A 59 6.863 -8.827 -1.299 1.00 32.15 H new ATOM 0 HD12 LEU A 59 6.408 -7.459 -0.255 1.00 32.15 H new ATOM 0 HD13 LEU A 59 8.115 -7.942 -0.395 1.00 32.15 H new ATOM 0 HD21 LEU A 59 7.545 -10.980 -0.316 1.00 63.15 H new ATOM 0 HD22 LEU A 59 8.838 -10.202 0.627 1.00 63.15 H new ATOM 0 HD23 LEU A 59 7.606 -11.188 1.450 1.00 63.15 H new ATOM 890 N GLU A 60 8.524 -6.592 4.233 1.00 60.32 N ATOM 891 CA GLU A 60 8.480 -5.275 4.865 1.00 41.44 C ATOM 892 C GLU A 60 9.803 -4.514 4.679 1.00 13.40 C ATOM 893 O GLU A 60 9.793 -3.431 4.104 1.00 74.42 O ATOM 894 CB GLU A 60 8.082 -5.364 6.346 1.00 4.10 C ATOM 895 CG GLU A 60 6.670 -5.894 6.563 1.00 75.24 C ATOM 896 CD GLU A 60 6.162 -5.632 7.972 1.00 73.12 C ATOM 897 OE1 GLU A 60 5.571 -4.556 8.197 1.00 11.14 O ATOM 898 OE2 GLU A 60 6.368 -6.493 8.856 1.00 0.14 O ATOM 0 H GLU A 60 8.366 -7.376 4.866 1.00 60.32 H new ATOM 0 HA GLU A 60 7.702 -4.703 4.359 1.00 41.44 H new ATOM 0 HB2 GLU A 60 8.789 -6.011 6.866 1.00 4.10 H new ATOM 0 HB3 GLU A 60 8.164 -4.375 6.797 1.00 4.10 H new ATOM 0 HG2 GLU A 60 5.996 -5.428 5.844 1.00 75.24 H new ATOM 0 HG3 GLU A 60 6.653 -6.966 6.367 1.00 75.24 H new ATOM 905 N PRO A 61 10.966 -5.053 5.137 1.00 63.22 N ATOM 906 CA PRO A 61 12.262 -4.403 4.910 1.00 4.14 C ATOM 907 C PRO A 61 12.518 -4.126 3.423 1.00 0.22 C ATOM 908 O PRO A 61 13.032 -3.055 3.063 1.00 64.12 O ATOM 909 CB PRO A 61 13.300 -5.389 5.484 1.00 0.10 C ATOM 910 CG PRO A 61 12.556 -6.659 5.731 1.00 73.53 C ATOM 911 CD PRO A 61 11.113 -6.280 5.933 1.00 71.54 C ATOM 0 HA PRO A 61 12.309 -3.425 5.390 1.00 4.14 H new ATOM 0 HB2 PRO A 61 14.120 -5.546 4.784 1.00 0.10 H new ATOM 0 HB3 PRO A 61 13.737 -5.005 6.406 1.00 0.10 H new ATOM 0 HG2 PRO A 61 12.663 -7.341 4.887 1.00 73.53 H new ATOM 0 HG3 PRO A 61 12.948 -7.173 6.608 1.00 73.53 H new ATOM 0 HD2 PRO A 61 10.440 -7.065 5.589 1.00 71.54 H new ATOM 0 HD3 PRO A 61 10.887 -6.105 6.985 1.00 71.54 H new ATOM 919 N GLN A 62 12.152 -5.080 2.552 1.00 51.54 N ATOM 920 CA GLN A 62 12.280 -4.866 1.106 1.00 32.10 C ATOM 921 C GLN A 62 11.475 -3.635 0.674 1.00 10.24 C ATOM 922 O GLN A 62 11.974 -2.767 -0.049 1.00 13.31 O ATOM 923 CB GLN A 62 11.815 -6.106 0.327 1.00 42.44 C ATOM 924 CG GLN A 62 12.599 -7.369 0.657 1.00 32.23 C ATOM 925 CD GLN A 62 12.290 -8.527 -0.279 1.00 41.32 C ATOM 926 OE1 GLN A 62 12.936 -8.694 -1.315 1.00 71.12 O ATOM 927 NE2 GLN A 62 11.303 -9.337 0.078 1.00 71.55 N ATOM 0 H GLN A 62 11.773 -5.989 2.818 1.00 51.54 H new ATOM 0 HA GLN A 62 13.332 -4.694 0.880 1.00 32.10 H new ATOM 0 HB2 GLN A 62 10.759 -6.280 0.536 1.00 42.44 H new ATOM 0 HB3 GLN A 62 11.900 -5.906 -0.741 1.00 42.44 H new ATOM 0 HG2 GLN A 62 13.666 -7.149 0.613 1.00 32.23 H new ATOM 0 HG3 GLN A 62 12.378 -7.669 1.681 1.00 32.23 H new ATOM 0 HE21 GLN A 62 10.791 -9.166 0.943 1.00 71.55 H new ATOM 0 HE22 GLN A 62 11.056 -10.131 -0.513 1.00 71.55 H new ATOM 936 N LEU A 63 10.237 -3.553 1.155 1.00 61.31 N ATOM 937 CA LEU A 63 9.348 -2.442 0.830 1.00 50.04 C ATOM 938 C LEU A 63 9.833 -1.157 1.489 1.00 11.41 C ATOM 939 O LEU A 63 9.592 -0.065 0.982 1.00 62.13 O ATOM 940 CB LEU A 63 7.906 -2.749 1.263 1.00 34.01 C ATOM 941 CG LEU A 63 7.233 -3.919 0.527 1.00 45.55 C ATOM 942 CD1 LEU A 63 5.801 -4.124 1.023 1.00 1.42 C ATOM 943 CD2 LEU A 63 7.264 -3.694 -0.984 1.00 5.13 C ATOM 0 H LEU A 63 9.825 -4.249 1.776 1.00 61.31 H new ATOM 0 HA LEU A 63 9.361 -2.306 -0.251 1.00 50.04 H new ATOM 0 HB2 LEU A 63 7.903 -2.964 2.332 1.00 34.01 H new ATOM 0 HB3 LEU A 63 7.302 -1.854 1.116 1.00 34.01 H new ATOM 0 HG LEU A 63 7.794 -4.828 0.745 1.00 45.55 H new ATOM 0 HD11 LEU A 63 5.346 -4.957 0.487 1.00 1.42 H new ATOM 0 HD12 LEU A 63 5.814 -4.343 2.091 1.00 1.42 H new ATOM 0 HD13 LEU A 63 5.221 -3.218 0.845 1.00 1.42 H new ATOM 0 HD21 LEU A 63 6.783 -4.533 -1.487 1.00 5.13 H new ATOM 0 HD22 LEU A 63 6.733 -2.773 -1.226 1.00 5.13 H new ATOM 0 HD23 LEU A 63 8.298 -3.615 -1.319 1.00 5.13 H new ATOM 955 N GLU A 64 10.516 -1.294 2.625 1.00 24.21 N ATOM 956 CA GLU A 64 11.116 -0.151 3.304 1.00 11.31 C ATOM 957 C GLU A 64 12.190 0.464 2.416 1.00 34.10 C ATOM 958 O GLU A 64 12.250 1.685 2.259 1.00 53.34 O ATOM 959 CB GLU A 64 11.706 -0.565 4.665 1.00 14.14 C ATOM 960 CG GLU A 64 10.649 -0.900 5.715 1.00 71.13 C ATOM 961 CD GLU A 64 11.244 -1.393 7.026 1.00 53.40 C ATOM 962 OE1 GLU A 64 11.915 -0.599 7.721 1.00 73.24 O ATOM 963 OE2 GLU A 64 11.053 -2.578 7.368 1.00 50.41 O ATOM 0 H GLU A 64 10.667 -2.188 3.093 1.00 24.21 H new ATOM 0 HA GLU A 64 10.341 0.592 3.493 1.00 11.31 H new ATOM 0 HB2 GLU A 64 12.352 -1.432 4.523 1.00 14.14 H new ATOM 0 HB3 GLU A 64 12.335 0.243 5.040 1.00 14.14 H new ATOM 0 HG2 GLU A 64 10.044 -0.014 5.908 1.00 71.13 H new ATOM 0 HG3 GLU A 64 9.980 -1.663 5.317 1.00 71.13 H new ATOM 970 N LYS A 65 13.020 -0.389 1.811 1.00 31.44 N ATOM 971 CA LYS A 65 14.039 0.087 0.881 1.00 14.41 C ATOM 972 C LYS A 65 13.384 0.743 -0.326 1.00 3.01 C ATOM 973 O LYS A 65 13.738 1.862 -0.706 1.00 45.42 O ATOM 974 CB LYS A 65 14.962 -1.047 0.412 1.00 20.21 C ATOM 975 CG LYS A 65 15.909 -0.603 -0.706 1.00 14.52 C ATOM 976 CD LYS A 65 16.958 -1.653 -1.045 1.00 12.44 C ATOM 977 CE LYS A 65 17.910 -1.152 -2.130 1.00 12.33 C ATOM 978 NZ LYS A 65 18.629 0.087 -1.718 1.00 63.52 N ATOM 0 H LYS A 65 13.006 -1.400 1.948 1.00 31.44 H new ATOM 0 HA LYS A 65 14.648 0.818 1.413 1.00 14.41 H new ATOM 0 HB2 LYS A 65 15.547 -1.409 1.258 1.00 20.21 H new ATOM 0 HB3 LYS A 65 14.357 -1.883 0.061 1.00 20.21 H new ATOM 0 HG2 LYS A 65 15.327 -0.376 -1.599 1.00 14.52 H new ATOM 0 HG3 LYS A 65 16.408 0.319 -0.408 1.00 14.52 H new ATOM 0 HD2 LYS A 65 17.525 -1.907 -0.149 1.00 12.44 H new ATOM 0 HD3 LYS A 65 16.467 -2.566 -1.381 1.00 12.44 H new ATOM 0 HE2 LYS A 65 18.636 -1.931 -2.363 1.00 12.33 H new ATOM 0 HE3 LYS A 65 17.348 -0.957 -3.043 1.00 12.33 H new ATOM 0 HZ1 LYS A 65 19.434 0.250 -2.356 1.00 63.52 H new ATOM 0 HZ2 LYS A 65 17.979 0.898 -1.767 1.00 63.52 H new ATOM 0 HZ3 LYS A 65 18.976 -0.021 -0.743 1.00 63.52 H new ATOM 992 N LEU A 66 12.422 0.045 -0.924 1.00 63.33 N ATOM 993 CA LEU A 66 11.724 0.567 -2.094 1.00 61.03 C ATOM 994 C LEU A 66 11.012 1.873 -1.752 1.00 12.25 C ATOM 995 O LEU A 66 10.908 2.770 -2.585 1.00 32.42 O ATOM 996 CB LEU A 66 10.731 -0.460 -2.653 1.00 53.34 C ATOM 997 CG LEU A 66 11.355 -1.763 -3.171 1.00 20.41 C ATOM 998 CD1 LEU A 66 10.324 -2.571 -3.946 1.00 35.41 C ATOM 999 CD2 LEU A 66 12.587 -1.481 -4.031 1.00 20.01 C ATOM 0 H LEU A 66 12.110 -0.877 -0.620 1.00 63.33 H new ATOM 0 HA LEU A 66 12.466 0.767 -2.867 1.00 61.03 H new ATOM 0 HB2 LEU A 66 10.011 -0.707 -1.873 1.00 53.34 H new ATOM 0 HB3 LEU A 66 10.173 0.004 -3.466 1.00 53.34 H new ATOM 0 HG LEU A 66 11.680 -2.351 -2.312 1.00 20.41 H new ATOM 0 HD11 LEU A 66 10.781 -3.492 -4.307 1.00 35.41 H new ATOM 0 HD12 LEU A 66 9.486 -2.813 -3.293 1.00 35.41 H new ATOM 0 HD13 LEU A 66 9.966 -1.987 -4.794 1.00 35.41 H new ATOM 0 HD21 LEU A 66 13.008 -2.423 -4.384 1.00 20.01 H new ATOM 0 HD22 LEU A 66 12.301 -0.868 -4.886 1.00 20.01 H new ATOM 0 HD23 LEU A 66 13.332 -0.951 -3.437 1.00 20.01 H new ATOM 1011 N ALA A 67 10.545 1.980 -0.515 1.00 64.50 N ATOM 1012 CA ALA A 67 9.923 3.205 -0.040 1.00 24.32 C ATOM 1013 C ALA A 67 10.945 4.334 -0.056 1.00 54.32 C ATOM 1014 O ALA A 67 10.695 5.393 -0.613 1.00 62.20 O ATOM 1015 CB ALA A 67 9.353 3.004 1.360 1.00 11.33 C ATOM 0 H ALA A 67 10.586 1.232 0.177 1.00 64.50 H new ATOM 0 HA ALA A 67 9.098 3.470 -0.701 1.00 24.32 H new ATOM 0 HB1 ALA A 67 8.891 3.930 1.701 1.00 11.33 H new ATOM 0 HB2 ALA A 67 8.605 2.212 1.338 1.00 11.33 H new ATOM 0 HB3 ALA A 67 10.156 2.726 2.043 1.00 11.33 H new ATOM 1021 N GLN A 68 12.108 4.078 0.531 1.00 11.43 N ATOM 1022 CA GLN A 68 13.195 5.061 0.573 1.00 72.34 C ATOM 1023 C GLN A 68 13.595 5.487 -0.841 1.00 64.42 C ATOM 1024 O GLN A 68 13.870 6.661 -1.102 1.00 42.10 O ATOM 1025 CB GLN A 68 14.410 4.469 1.301 1.00 75.52 C ATOM 1026 CG GLN A 68 14.131 4.091 2.752 1.00 20.02 C ATOM 1027 CD GLN A 68 15.270 3.318 3.394 1.00 53.41 C ATOM 1028 OE1 GLN A 68 16.012 2.602 2.717 1.00 71.54 O ATOM 1029 NE2 GLN A 68 15.403 3.440 4.706 1.00 25.22 N ATOM 0 H GLN A 68 12.328 3.193 0.989 1.00 11.43 H new ATOM 0 HA GLN A 68 12.843 5.940 1.114 1.00 72.34 H new ATOM 0 HB2 GLN A 68 14.749 3.584 0.763 1.00 75.52 H new ATOM 0 HB3 GLN A 68 15.226 5.191 1.273 1.00 75.52 H new ATOM 0 HG2 GLN A 68 13.944 4.997 3.328 1.00 20.02 H new ATOM 0 HG3 GLN A 68 13.222 3.492 2.797 1.00 20.02 H new ATOM 0 HE21 GLN A 68 14.768 4.043 5.229 1.00 25.22 H new ATOM 0 HE22 GLN A 68 16.140 2.931 5.193 1.00 25.22 H new ATOM 1038 N GLN A 69 13.606 4.515 -1.743 1.00 30.12 N ATOM 1039 CA GLN A 69 14.007 4.724 -3.132 1.00 30.23 C ATOM 1040 C GLN A 69 12.971 5.560 -3.889 1.00 31.21 C ATOM 1041 O GLN A 69 13.314 6.499 -4.604 1.00 71.12 O ATOM 1042 CB GLN A 69 14.174 3.355 -3.814 1.00 13.44 C ATOM 1043 CG GLN A 69 14.716 3.415 -5.240 1.00 44.12 C ATOM 1044 CD GLN A 69 16.141 3.936 -5.305 1.00 25.40 C ATOM 1045 OE1 GLN A 69 17.098 3.170 -5.180 1.00 11.02 O ATOM 1046 NE2 GLN A 69 16.296 5.233 -5.518 1.00 25.32 N ATOM 0 H GLN A 69 13.336 3.554 -1.533 1.00 30.12 H new ATOM 0 HA GLN A 69 14.951 5.269 -3.147 1.00 30.23 H new ATOM 0 HB2 GLN A 69 14.844 2.743 -3.210 1.00 13.44 H new ATOM 0 HB3 GLN A 69 13.208 2.851 -3.828 1.00 13.44 H new ATOM 0 HG2 GLN A 69 14.677 2.419 -5.681 1.00 44.12 H new ATOM 0 HG3 GLN A 69 14.072 4.055 -5.842 1.00 44.12 H new ATOM 0 HE21 GLN A 69 15.478 5.835 -5.616 1.00 25.32 H new ATOM 0 HE22 GLN A 69 17.233 5.631 -5.584 1.00 25.32 H new ATOM 1055 N TYR A 70 11.703 5.215 -3.706 1.00 65.32 N ATOM 1056 CA TYR A 70 10.601 5.781 -4.491 1.00 42.51 C ATOM 1057 C TYR A 70 9.788 6.814 -3.697 1.00 11.10 C ATOM 1058 O TYR A 70 8.772 7.306 -4.183 1.00 5.33 O ATOM 1059 CB TYR A 70 9.676 4.667 -4.994 1.00 35.03 C ATOM 1060 CG TYR A 70 10.355 3.621 -5.865 1.00 61.42 C ATOM 1061 CD1 TYR A 70 10.918 3.965 -7.090 1.00 14.43 C ATOM 1062 CD2 TYR A 70 10.414 2.287 -5.471 1.00 60.04 C ATOM 1063 CE1 TYR A 70 11.524 3.012 -7.890 1.00 62.11 C ATOM 1064 CE2 TYR A 70 11.020 1.331 -6.263 1.00 54.20 C ATOM 1065 CZ TYR A 70 11.572 1.697 -7.472 1.00 51.22 C ATOM 1066 OH TYR A 70 12.170 0.743 -8.263 1.00 53.12 O ATOM 0 H TYR A 70 11.404 4.534 -3.009 1.00 65.32 H new ATOM 0 HA TYR A 70 11.048 6.297 -5.340 1.00 42.51 H new ATOM 0 HB2 TYR A 70 9.229 4.169 -4.134 1.00 35.03 H new ATOM 0 HB3 TYR A 70 8.861 5.118 -5.560 1.00 35.03 H new ATOM 0 HD1 TYR A 70 10.882 4.992 -7.422 1.00 14.43 H new ATOM 0 HD2 TYR A 70 9.977 1.994 -4.528 1.00 60.04 H new ATOM 0 HE1 TYR A 70 11.958 3.296 -8.838 1.00 62.11 H new ATOM 0 HE2 TYR A 70 11.061 0.302 -5.937 1.00 54.20 H new ATOM 0 HH TYR A 70 12.885 1.157 -8.790 1.00 53.12 H new ATOM 1076 N THR A 71 10.234 7.130 -2.482 1.00 12.01 N ATOM 1077 CA THR A 71 9.448 7.926 -1.520 1.00 41.13 C ATOM 1078 C THR A 71 8.945 9.251 -2.101 1.00 64.03 C ATOM 1079 O THR A 71 7.997 9.838 -1.572 1.00 2.45 O ATOM 1080 CB THR A 71 10.282 8.237 -0.247 1.00 75.22 C ATOM 1081 OG1 THR A 71 9.485 8.925 0.730 1.00 73.14 O ATOM 1082 CG2 THR A 71 11.514 9.075 -0.586 1.00 14.25 C ATOM 0 H THR A 71 11.148 6.845 -2.130 1.00 12.01 H new ATOM 0 HA THR A 71 8.582 7.312 -1.273 1.00 41.13 H new ATOM 0 HB THR A 71 10.611 7.285 0.169 1.00 75.22 H new ATOM 0 HG1 THR A 71 10.062 9.250 1.452 1.00 73.14 H new ATOM 0 HG21 THR A 71 12.078 9.277 0.324 1.00 14.25 H new ATOM 0 HG22 THR A 71 12.143 8.529 -1.289 1.00 14.25 H new ATOM 0 HG23 THR A 71 11.201 10.017 -1.035 1.00 14.25 H new ATOM 1090 N GLU A 72 9.568 9.718 -3.176 1.00 52.23 N ATOM 1091 CA GLU A 72 9.123 10.939 -3.844 1.00 11.44 C ATOM 1092 C GLU A 72 7.700 10.771 -4.383 1.00 54.31 C ATOM 1093 O GLU A 72 6.890 11.698 -4.336 1.00 4.22 O ATOM 1094 CB GLU A 72 10.085 11.298 -4.982 1.00 45.22 C ATOM 1095 CG GLU A 72 10.273 10.180 -6.005 1.00 22.21 C ATOM 1096 CD GLU A 72 11.301 10.523 -7.067 1.00 50.43 C ATOM 1097 OE1 GLU A 72 12.513 10.462 -6.768 1.00 5.23 O ATOM 1098 OE2 GLU A 72 10.901 10.848 -8.205 1.00 45.11 O ATOM 0 H GLU A 72 10.380 9.273 -3.604 1.00 52.23 H new ATOM 0 HA GLU A 72 9.120 11.751 -3.117 1.00 11.44 H new ATOM 0 HB2 GLU A 72 9.714 12.187 -5.493 1.00 45.22 H new ATOM 0 HB3 GLU A 72 11.055 11.556 -4.557 1.00 45.22 H new ATOM 0 HG2 GLU A 72 10.579 9.270 -5.490 1.00 22.21 H new ATOM 0 HG3 GLU A 72 9.318 9.968 -6.485 1.00 22.21 H new ATOM 1105 N ASN A 73 7.406 9.569 -4.878 1.00 11.51 N ATOM 1106 CA ASN A 73 6.113 9.264 -5.491 1.00 63.13 C ATOM 1107 C ASN A 73 5.436 8.073 -4.815 1.00 14.45 C ATOM 1108 O ASN A 73 4.324 7.713 -5.183 1.00 33.31 O ATOM 1109 CB ASN A 73 6.285 8.948 -6.990 1.00 71.53 C ATOM 1110 CG ASN A 73 6.807 10.120 -7.806 1.00 44.33 C ATOM 1111 OD1 ASN A 73 6.546 11.284 -7.499 1.00 22.52 O ATOM 1112 ND2 ASN A 73 7.552 9.824 -8.858 1.00 23.01 N ATOM 0 H ASN A 73 8.055 8.782 -4.866 1.00 11.51 H new ATOM 0 HA ASN A 73 5.485 10.146 -5.365 1.00 63.13 H new ATOM 0 HB2 ASN A 73 6.970 8.107 -7.099 1.00 71.53 H new ATOM 0 HB3 ASN A 73 5.325 8.632 -7.398 1.00 71.53 H new ATOM 0 HD21 ASN A 73 7.929 10.570 -9.442 1.00 23.01 H new ATOM 0 HD22 ASN A 73 7.750 8.849 -9.085 1.00 23.01 H new ATOM 1119 N VAL A 74 6.100 7.453 -3.840 1.00 25.14 N ATOM 1120 CA VAL A 74 5.589 6.221 -3.222 1.00 12.22 C ATOM 1121 C VAL A 74 5.516 6.326 -1.698 1.00 22.31 C ATOM 1122 O VAL A 74 6.431 6.836 -1.049 1.00 30.43 O ATOM 1123 CB VAL A 74 6.464 4.997 -3.612 1.00 33.42 C ATOM 1124 CG1 VAL A 74 6.139 3.770 -2.757 1.00 54.24 C ATOM 1125 CG2 VAL A 74 6.300 4.669 -5.096 1.00 3.44 C ATOM 0 H VAL A 74 6.989 7.778 -3.460 1.00 25.14 H new ATOM 0 HA VAL A 74 4.577 6.081 -3.603 1.00 12.22 H new ATOM 0 HB VAL A 74 7.503 5.266 -3.422 1.00 33.42 H new ATOM 0 HG11 VAL A 74 6.772 2.936 -3.061 1.00 54.24 H new ATOM 0 HG12 VAL A 74 6.321 4.000 -1.707 1.00 54.24 H new ATOM 0 HG13 VAL A 74 5.092 3.499 -2.893 1.00 54.24 H new ATOM 0 HG21 VAL A 74 6.920 3.809 -5.349 1.00 3.44 H new ATOM 0 HG22 VAL A 74 5.256 4.437 -5.304 1.00 3.44 H new ATOM 0 HG23 VAL A 74 6.607 5.527 -5.694 1.00 3.44 H new ATOM 1135 N LYS A 75 4.408 5.835 -1.145 1.00 53.44 N ATOM 1136 CA LYS A 75 4.220 5.724 0.302 1.00 61.04 C ATOM 1137 C LYS A 75 3.388 4.483 0.615 1.00 33.13 C ATOM 1138 O LYS A 75 2.315 4.286 0.045 1.00 3.40 O ATOM 1139 CB LYS A 75 3.537 6.987 0.867 1.00 62.24 C ATOM 1140 CG LYS A 75 4.493 7.953 1.570 1.00 31.22 C ATOM 1141 CD LYS A 75 5.006 7.384 2.893 1.00 62.35 C ATOM 1142 CE LYS A 75 5.977 8.340 3.580 1.00 12.34 C ATOM 1143 NZ LYS A 75 6.378 7.864 4.933 1.00 13.02 N ATOM 0 H LYS A 75 3.612 5.502 -1.689 1.00 53.44 H new ATOM 0 HA LYS A 75 5.197 5.631 0.777 1.00 61.04 H new ATOM 0 HB2 LYS A 75 3.040 7.513 0.052 1.00 62.24 H new ATOM 0 HB3 LYS A 75 2.762 6.684 1.571 1.00 62.24 H new ATOM 0 HG2 LYS A 75 5.338 8.169 0.916 1.00 31.22 H new ATOM 0 HG3 LYS A 75 3.983 8.899 1.755 1.00 31.22 H new ATOM 0 HD2 LYS A 75 4.163 7.184 3.554 1.00 62.35 H new ATOM 0 HD3 LYS A 75 5.502 6.430 2.711 1.00 62.35 H new ATOM 0 HE2 LYS A 75 6.866 8.458 2.961 1.00 12.34 H new ATOM 0 HE3 LYS A 75 5.515 9.324 3.666 1.00 12.34 H new ATOM 0 HZ1 LYS A 75 7.037 8.546 5.360 1.00 13.02 H new ATOM 0 HZ2 LYS A 75 5.534 7.776 5.534 1.00 13.02 H new ATOM 0 HZ3 LYS A 75 6.843 6.937 4.851 1.00 13.02 H new ATOM 1157 N ILE A 76 3.898 3.635 1.503 1.00 51.51 N ATOM 1158 CA ILE A 76 3.190 2.421 1.905 1.00 22.03 C ATOM 1159 C ILE A 76 2.481 2.656 3.236 1.00 42.42 C ATOM 1160 O ILE A 76 3.039 3.284 4.141 1.00 73.14 O ATOM 1161 CB ILE A 76 4.139 1.191 2.043 1.00 33.14 C ATOM 1162 CG1 ILE A 76 4.852 0.876 0.709 1.00 2.13 C ATOM 1163 CG2 ILE A 76 3.371 -0.038 2.533 1.00 4.44 C ATOM 1164 CD1 ILE A 76 5.946 1.858 0.335 1.00 44.21 C ATOM 0 H ILE A 76 4.801 3.765 1.960 1.00 51.51 H new ATOM 0 HA ILE A 76 2.469 2.196 1.119 1.00 22.03 H new ATOM 0 HB ILE A 76 4.898 1.447 2.782 1.00 33.14 H new ATOM 0 HG12 ILE A 76 5.283 -0.123 0.769 1.00 2.13 H new ATOM 0 HG13 ILE A 76 4.110 0.856 -0.089 1.00 2.13 H new ATOM 0 HG21 ILE A 76 4.054 -0.883 2.621 1.00 4.44 H new ATOM 0 HG22 ILE A 76 2.928 0.174 3.506 1.00 4.44 H new ATOM 0 HG23 ILE A 76 2.583 -0.282 1.821 1.00 4.44 H new ATOM 0 HD11 ILE A 76 6.393 1.561 -0.614 1.00 44.21 H new ATOM 0 HD12 ILE A 76 5.521 2.857 0.239 1.00 44.21 H new ATOM 0 HD13 ILE A 76 6.712 1.862 1.111 1.00 44.21 H new ATOM 1176 N TYR A 77 1.250 2.168 3.341 1.00 23.53 N ATOM 1177 CA TYR A 77 0.460 2.276 4.565 1.00 43.30 C ATOM 1178 C TYR A 77 0.020 0.892 5.026 1.00 5.34 C ATOM 1179 O TYR A 77 -0.281 0.024 4.212 1.00 20.12 O ATOM 1180 CB TYR A 77 -0.770 3.167 4.354 1.00 74.15 C ATOM 1181 CG TYR A 77 -0.457 4.650 4.249 1.00 54.30 C ATOM 1182 CD1 TYR A 77 -0.084 5.222 3.041 1.00 61.03 C ATOM 1183 CD2 TYR A 77 -0.546 5.481 5.362 1.00 41.52 C ATOM 1184 CE1 TYR A 77 0.186 6.572 2.940 1.00 75.14 C ATOM 1185 CE2 TYR A 77 -0.275 6.831 5.269 1.00 33.10 C ATOM 1186 CZ TYR A 77 0.094 7.373 4.059 1.00 4.41 C ATOM 1187 OH TYR A 77 0.366 8.720 3.964 1.00 3.23 O ATOM 0 H TYR A 77 0.770 1.686 2.581 1.00 23.53 H new ATOM 0 HA TYR A 77 1.086 2.733 5.331 1.00 43.30 H new ATOM 0 HB2 TYR A 77 -1.282 2.850 3.445 1.00 74.15 H new ATOM 0 HB3 TYR A 77 -1.463 3.011 5.181 1.00 74.15 H new ATOM 0 HD1 TYR A 77 -0.003 4.599 2.163 1.00 61.03 H new ATOM 0 HD2 TYR A 77 -0.832 5.062 6.315 1.00 41.52 H new ATOM 0 HE1 TYR A 77 0.468 6.999 1.989 1.00 75.14 H new ATOM 0 HE2 TYR A 77 -0.352 7.460 6.143 1.00 33.10 H new ATOM 0 HH TYR A 77 0.253 9.139 4.843 1.00 3.23 H new ATOM 1197 N LYS A 78 -0.025 0.707 6.332 1.00 34.22 N ATOM 1198 CA LYS A 78 -0.370 -0.574 6.933 1.00 55.40 C ATOM 1199 C LYS A 78 -1.589 -0.417 7.834 1.00 24.11 C ATOM 1200 O LYS A 78 -1.700 0.567 8.566 1.00 65.03 O ATOM 1201 CB LYS A 78 0.832 -1.091 7.737 1.00 52.10 C ATOM 1202 CG LYS A 78 0.525 -2.288 8.629 1.00 24.31 C ATOM 1203 CD LYS A 78 1.749 -2.731 9.435 1.00 12.52 C ATOM 1204 CE LYS A 78 2.682 -3.645 8.640 1.00 61.14 C ATOM 1205 NZ LYS A 78 3.154 -3.037 7.369 1.00 24.25 N ATOM 0 H LYS A 78 0.177 1.441 7.011 1.00 34.22 H new ATOM 0 HA LYS A 78 -0.615 -1.293 6.151 1.00 55.40 H new ATOM 0 HB2 LYS A 78 1.627 -1.365 7.043 1.00 52.10 H new ATOM 0 HB3 LYS A 78 1.215 -0.280 8.357 1.00 52.10 H new ATOM 0 HG2 LYS A 78 -0.286 -2.033 9.312 1.00 24.31 H new ATOM 0 HG3 LYS A 78 0.176 -3.118 8.015 1.00 24.31 H new ATOM 0 HD2 LYS A 78 2.302 -1.850 9.761 1.00 12.52 H new ATOM 0 HD3 LYS A 78 1.418 -3.251 10.334 1.00 12.52 H new ATOM 0 HE2 LYS A 78 3.545 -3.898 9.257 1.00 61.14 H new ATOM 0 HE3 LYS A 78 2.164 -4.578 8.418 1.00 61.14 H new ATOM 0 HZ1 LYS A 78 4.005 -3.536 7.040 1.00 24.25 H new ATOM 0 HZ2 LYS A 78 2.407 -3.114 6.649 1.00 24.25 H new ATOM 0 HZ3 LYS A 78 3.381 -2.034 7.527 1.00 24.25 H new ATOM 1219 N ILE A 79 -2.509 -1.375 7.769 1.00 13.21 N ATOM 1220 CA ILE A 79 -3.686 -1.362 8.632 1.00 23.10 C ATOM 1221 C ILE A 79 -3.275 -1.659 10.079 1.00 5.40 C ATOM 1222 O ILE A 79 -2.741 -2.730 10.380 1.00 21.22 O ATOM 1223 CB ILE A 79 -4.765 -2.372 8.145 1.00 62.15 C ATOM 1224 CG1 ILE A 79 -5.981 -2.367 9.093 1.00 63.01 C ATOM 1225 CG2 ILE A 79 -4.182 -3.780 8.004 1.00 54.11 C ATOM 1226 CD1 ILE A 79 -7.126 -3.249 8.635 1.00 64.41 C ATOM 0 H ILE A 79 -2.463 -2.168 7.129 1.00 13.21 H new ATOM 0 HA ILE A 79 -4.131 -0.368 8.586 1.00 23.10 H new ATOM 0 HB ILE A 79 -5.102 -2.056 7.158 1.00 62.15 H new ATOM 0 HG12 ILE A 79 -5.659 -2.693 10.082 1.00 63.01 H new ATOM 0 HG13 ILE A 79 -6.343 -1.344 9.197 1.00 63.01 H new ATOM 0 HG21 ILE A 79 -4.960 -4.463 7.662 1.00 54.11 H new ATOM 0 HG22 ILE A 79 -3.368 -3.766 7.280 1.00 54.11 H new ATOM 0 HG23 ILE A 79 -3.803 -4.115 8.969 1.00 54.11 H new ATOM 0 HD11 ILE A 79 -7.942 -3.190 9.356 1.00 64.41 H new ATOM 0 HD12 ILE A 79 -7.478 -2.911 7.660 1.00 64.41 H new ATOM 0 HD13 ILE A 79 -6.783 -4.281 8.559 1.00 64.41 H new ATOM 1238 N ASN A 80 -3.503 -0.691 10.965 1.00 75.04 N ATOM 1239 CA ASN A 80 -3.030 -0.782 12.349 1.00 52.52 C ATOM 1240 C ASN A 80 -4.191 -0.878 13.338 1.00 31.23 C ATOM 1241 O ASN A 80 -4.209 -1.759 14.198 1.00 53.34 O ATOM 1242 CB ASN A 80 -2.158 0.436 12.685 1.00 65.22 C ATOM 1243 CG ASN A 80 -1.481 0.324 14.044 1.00 33.11 C ATOM 1244 OD1 ASN A 80 -2.031 0.738 15.066 1.00 71.01 O ATOM 1245 ND2 ASN A 80 -0.274 -0.223 14.064 1.00 60.15 N ATOM 0 H ASN A 80 -4.012 0.166 10.751 1.00 75.04 H new ATOM 0 HA ASN A 80 -2.439 -1.693 12.439 1.00 52.52 H new ATOM 0 HB2 ASN A 80 -1.397 0.555 11.914 1.00 65.22 H new ATOM 0 HB3 ASN A 80 -2.775 1.335 12.665 1.00 65.22 H new ATOM 0 HD21 ASN A 80 0.231 -0.312 14.946 1.00 60.15 H new ATOM 0 HD22 ASN A 80 0.150 -0.555 13.198 1.00 60.15 H new ATOM 1252 N ILE A 81 -5.157 0.030 13.214 1.00 53.05 N ATOM 1253 CA ILE A 81 -6.268 0.090 14.162 1.00 12.12 C ATOM 1254 C ILE A 81 -7.146 -1.160 14.053 1.00 44.15 C ATOM 1255 O ILE A 81 -7.900 -1.326 13.091 1.00 64.01 O ATOM 1256 CB ILE A 81 -7.134 1.361 13.973 1.00 44.24 C ATOM 1257 CG1 ILE A 81 -6.265 2.628 14.100 1.00 42.31 C ATOM 1258 CG2 ILE A 81 -8.274 1.384 14.995 1.00 61.41 C ATOM 1259 CD1 ILE A 81 -7.038 3.925 13.964 1.00 73.24 C ATOM 0 H ILE A 81 -5.194 0.729 12.472 1.00 53.05 H new ATOM 0 HA ILE A 81 -5.828 0.134 15.158 1.00 12.12 H new ATOM 0 HB ILE A 81 -7.568 1.342 12.973 1.00 44.24 H new ATOM 0 HG12 ILE A 81 -5.764 2.616 15.068 1.00 42.31 H new ATOM 0 HG13 ILE A 81 -5.487 2.600 13.337 1.00 42.31 H new ATOM 0 HG21 ILE A 81 -8.874 2.282 14.851 1.00 61.41 H new ATOM 0 HG22 ILE A 81 -8.901 0.503 14.860 1.00 61.41 H new ATOM 0 HG23 ILE A 81 -7.859 1.383 16.003 1.00 61.41 H new ATOM 0 HD11 ILE A 81 -6.355 4.768 14.065 1.00 73.24 H new ATOM 0 HD12 ILE A 81 -7.517 3.962 12.986 1.00 73.24 H new ATOM 0 HD13 ILE A 81 -7.799 3.979 14.743 1.00 73.24 H new ATOM 1271 N GLU A 82 -7.023 -2.022 15.059 1.00 51.43 N ATOM 1272 CA GLU A 82 -7.725 -3.306 15.134 1.00 21.12 C ATOM 1273 C GLU A 82 -9.232 -3.181 14.858 1.00 23.41 C ATOM 1274 O GLU A 82 -9.811 -4.014 14.156 1.00 51.54 O ATOM 1275 CB GLU A 82 -7.474 -3.921 16.523 1.00 71.25 C ATOM 1276 CG GLU A 82 -7.771 -2.963 17.677 1.00 14.05 C ATOM 1277 CD GLU A 82 -7.286 -3.466 19.032 1.00 45.35 C ATOM 1278 OE1 GLU A 82 -7.789 -4.506 19.512 1.00 50.24 O ATOM 1279 OE2 GLU A 82 -6.405 -2.810 19.636 1.00 60.22 O ATOM 0 H GLU A 82 -6.421 -1.846 15.863 1.00 51.43 H new ATOM 0 HA GLU A 82 -7.331 -3.956 14.352 1.00 21.12 H new ATOM 0 HB2 GLU A 82 -8.091 -4.813 16.634 1.00 71.25 H new ATOM 0 HB3 GLU A 82 -6.435 -4.243 16.587 1.00 71.25 H new ATOM 0 HG2 GLU A 82 -7.303 -2.001 17.468 1.00 14.05 H new ATOM 0 HG3 GLU A 82 -8.846 -2.791 17.727 1.00 14.05 H new ATOM 1286 N ASP A 83 -9.854 -2.132 15.390 1.00 12.12 N ATOM 1287 CA ASP A 83 -11.304 -1.942 15.261 1.00 20.43 C ATOM 1288 C ASP A 83 -11.677 -1.565 13.836 1.00 2.34 C ATOM 1289 O ASP A 83 -12.792 -1.820 13.385 1.00 51.21 O ATOM 1290 CB ASP A 83 -11.792 -0.828 16.201 1.00 35.05 C ATOM 1291 CG ASP A 83 -11.373 -1.040 17.640 1.00 2.44 C ATOM 1292 OD1 ASP A 83 -10.160 -0.963 17.911 1.00 42.55 O ATOM 1293 OD2 ASP A 83 -12.250 -1.257 18.506 1.00 53.44 O ATOM 0 H ASP A 83 -9.380 -1.398 15.916 1.00 12.12 H new ATOM 0 HA ASP A 83 -11.780 -2.886 15.527 1.00 20.43 H new ATOM 0 HB2 ASP A 83 -11.404 0.129 15.853 1.00 35.05 H new ATOM 0 HB3 ASP A 83 -12.879 -0.768 16.150 1.00 35.05 H new ATOM 1298 N ASN A 84 -10.728 -0.969 13.128 1.00 20.13 N ATOM 1299 CA ASN A 84 -10.970 -0.414 11.796 1.00 74.43 C ATOM 1300 C ASN A 84 -10.700 -1.457 10.713 1.00 3.23 C ATOM 1301 O ASN A 84 -10.330 -1.124 9.586 1.00 62.15 O ATOM 1302 CB ASN A 84 -10.083 0.819 11.584 1.00 60.21 C ATOM 1303 CG ASN A 84 -10.533 2.047 12.374 1.00 74.34 C ATOM 1304 OD1 ASN A 84 -10.269 3.178 11.969 1.00 14.14 O ATOM 1305 ND2 ASN A 84 -11.211 1.845 13.497 1.00 5.42 N ATOM 0 H ASN A 84 -9.769 -0.855 13.456 1.00 20.13 H new ATOM 0 HA ASN A 84 -12.017 -0.120 11.724 1.00 74.43 H new ATOM 0 HB2 ASN A 84 -9.060 0.572 11.867 1.00 60.21 H new ATOM 0 HB3 ASN A 84 -10.069 1.067 10.523 1.00 60.21 H new ATOM 0 HD21 ASN A 84 -11.529 2.640 14.051 1.00 5.42 H new ATOM 0 HD22 ASN A 84 -11.414 0.894 13.806 1.00 5.42 H new ATOM 1312 N GLN A 85 -10.927 -2.718 11.058 1.00 61.13 N ATOM 1313 CA GLN A 85 -10.677 -3.836 10.152 1.00 3.21 C ATOM 1314 C GLN A 85 -11.697 -3.852 9.004 1.00 34.04 C ATOM 1315 O GLN A 85 -11.509 -4.548 8.002 1.00 4.11 O ATOM 1316 CB GLN A 85 -10.738 -5.147 10.951 1.00 2.11 C ATOM 1317 CG GLN A 85 -10.160 -6.360 10.228 1.00 50.23 C ATOM 1318 CD GLN A 85 -10.139 -7.600 11.107 1.00 34.21 C ATOM 1319 OE1 GLN A 85 -11.087 -8.387 11.118 1.00 64.32 O ATOM 1320 NE2 GLN A 85 -9.063 -7.775 11.859 1.00 15.52 N ATOM 0 H GLN A 85 -11.288 -2.996 11.970 1.00 61.13 H new ATOM 0 HA GLN A 85 -9.688 -3.725 9.708 1.00 3.21 H new ATOM 0 HB2 GLN A 85 -10.201 -5.010 11.890 1.00 2.11 H new ATOM 0 HB3 GLN A 85 -11.777 -5.354 11.206 1.00 2.11 H new ATOM 0 HG2 GLN A 85 -10.749 -6.562 9.333 1.00 50.23 H new ATOM 0 HG3 GLN A 85 -9.146 -6.134 9.898 1.00 50.23 H new ATOM 0 HE21 GLN A 85 -8.299 -7.100 11.821 1.00 15.52 H new ATOM 0 HE22 GLN A 85 -8.998 -8.585 12.476 1.00 15.52 H new ATOM 1329 N ASP A 86 -12.760 -3.055 9.157 1.00 60.31 N ATOM 1330 CA ASP A 86 -13.853 -2.981 8.177 1.00 62.14 C ATOM 1331 C ASP A 86 -13.347 -2.779 6.755 1.00 54.01 C ATOM 1332 O ASP A 86 -13.983 -3.229 5.801 1.00 32.11 O ATOM 1333 CB ASP A 86 -14.830 -1.847 8.527 1.00 43.34 C ATOM 1334 CG ASP A 86 -15.764 -2.206 9.670 1.00 73.14 C ATOM 1335 OD1 ASP A 86 -16.638 -3.078 9.471 1.00 61.20 O ATOM 1336 OD2 ASP A 86 -15.647 -1.609 10.759 1.00 55.52 O ATOM 0 H ASP A 86 -12.888 -2.443 9.963 1.00 60.31 H new ATOM 0 HA ASP A 86 -14.368 -3.940 8.223 1.00 62.14 H new ATOM 0 HB2 ASP A 86 -14.263 -0.955 8.794 1.00 43.34 H new ATOM 0 HB3 ASP A 86 -15.421 -1.598 7.646 1.00 43.34 H new ATOM 1341 N VAL A 87 -12.204 -2.108 6.614 1.00 72.12 N ATOM 1342 CA VAL A 87 -11.629 -1.828 5.297 1.00 31.04 C ATOM 1343 C VAL A 87 -11.506 -3.117 4.485 1.00 13.13 C ATOM 1344 O VAL A 87 -11.788 -3.143 3.281 1.00 32.21 O ATOM 1345 CB VAL A 87 -10.235 -1.155 5.416 1.00 54.03 C ATOM 1346 CG1 VAL A 87 -9.659 -0.834 4.036 1.00 21.45 C ATOM 1347 CG2 VAL A 87 -10.314 0.104 6.280 1.00 11.30 C ATOM 0 H VAL A 87 -11.657 -1.748 7.396 1.00 72.12 H new ATOM 0 HA VAL A 87 -12.301 -1.138 4.786 1.00 31.04 H new ATOM 0 HB VAL A 87 -9.561 -1.860 5.903 1.00 54.03 H new ATOM 0 HG11 VAL A 87 -8.682 -0.363 4.150 1.00 21.45 H new ATOM 0 HG12 VAL A 87 -9.553 -1.755 3.463 1.00 21.45 H new ATOM 0 HG13 VAL A 87 -10.330 -0.155 3.511 1.00 21.45 H new ATOM 0 HG21 VAL A 87 -9.326 0.560 6.350 1.00 11.30 H new ATOM 0 HG22 VAL A 87 -11.009 0.812 5.829 1.00 11.30 H new ATOM 0 HG23 VAL A 87 -10.663 -0.161 7.278 1.00 11.30 H new ATOM 1357 N ALA A 88 -11.124 -4.195 5.164 1.00 25.55 N ATOM 1358 CA ALA A 88 -10.987 -5.495 4.523 1.00 12.35 C ATOM 1359 C ALA A 88 -12.338 -5.967 3.990 1.00 14.43 C ATOM 1360 O ALA A 88 -12.462 -6.353 2.825 1.00 72.51 O ATOM 1361 CB ALA A 88 -10.409 -6.515 5.501 1.00 64.25 C ATOM 0 H ALA A 88 -10.904 -4.192 6.160 1.00 25.55 H new ATOM 0 HA ALA A 88 -10.299 -5.398 3.684 1.00 12.35 H new ATOM 0 HB1 ALA A 88 -10.313 -7.481 5.005 1.00 64.25 H new ATOM 0 HB2 ALA A 88 -9.427 -6.181 5.837 1.00 64.25 H new ATOM 0 HB3 ALA A 88 -11.073 -6.612 6.360 1.00 64.25 H new ATOM 1367 N THR A 89 -13.351 -5.898 4.848 1.00 13.21 N ATOM 1368 CA THR A 89 -14.699 -6.332 4.504 1.00 33.43 C ATOM 1369 C THR A 89 -15.260 -5.514 3.337 1.00 65.42 C ATOM 1370 O THR A 89 -15.884 -6.054 2.425 1.00 13.14 O ATOM 1371 CB THR A 89 -15.641 -6.191 5.726 1.00 63.44 C ATOM 1372 OG1 THR A 89 -15.006 -6.729 6.895 1.00 21.31 O ATOM 1373 CG2 THR A 89 -16.970 -6.907 5.486 1.00 51.32 C ATOM 0 H THR A 89 -13.260 -5.540 5.799 1.00 13.21 H new ATOM 0 HA THR A 89 -14.643 -7.379 4.206 1.00 33.43 H new ATOM 0 HB THR A 89 -15.846 -5.131 5.875 1.00 63.44 H new ATOM 0 HG1 THR A 89 -15.605 -6.636 7.665 1.00 21.31 H new ATOM 0 HG21 THR A 89 -17.609 -6.790 6.361 1.00 51.32 H new ATOM 0 HG22 THR A 89 -17.464 -6.475 4.615 1.00 51.32 H new ATOM 0 HG23 THR A 89 -16.786 -7.967 5.310 1.00 51.32 H new ATOM 1381 N GLN A 90 -15.010 -4.208 3.367 1.00 25.10 N ATOM 1382 CA GLN A 90 -15.572 -3.287 2.384 1.00 24.35 C ATOM 1383 C GLN A 90 -14.932 -3.479 1.007 1.00 42.23 C ATOM 1384 O GLN A 90 -15.625 -3.508 -0.014 1.00 73.15 O ATOM 1385 CB GLN A 90 -15.397 -1.837 2.857 1.00 12.32 C ATOM 1386 CG GLN A 90 -16.090 -1.533 4.184 1.00 73.34 C ATOM 1387 CD GLN A 90 -17.587 -1.804 4.146 1.00 12.22 C ATOM 1388 OE1 GLN A 90 -18.042 -2.912 4.445 1.00 2.14 O ATOM 1389 NE2 GLN A 90 -18.363 -0.794 3.788 1.00 41.10 N ATOM 0 H GLN A 90 -14.417 -3.761 4.067 1.00 25.10 H new ATOM 0 HA GLN A 90 -16.636 -3.505 2.289 1.00 24.35 H new ATOM 0 HB2 GLN A 90 -14.333 -1.623 2.956 1.00 12.32 H new ATOM 0 HB3 GLN A 90 -15.787 -1.166 2.092 1.00 12.32 H new ATOM 0 HG2 GLN A 90 -15.637 -2.135 4.971 1.00 73.34 H new ATOM 0 HG3 GLN A 90 -15.922 -0.488 4.445 1.00 73.34 H new ATOM 0 HE21 GLN A 90 -17.949 0.107 3.548 1.00 41.10 H new ATOM 0 HE22 GLN A 90 -19.375 -0.916 3.752 1.00 41.10 H new ATOM 1398 N TYR A 91 -13.606 -3.604 0.982 1.00 32.25 N ATOM 1399 CA TYR A 91 -12.876 -3.772 -0.276 1.00 53.24 C ATOM 1400 C TYR A 91 -12.781 -5.243 -0.679 1.00 73.40 C ATOM 1401 O TYR A 91 -12.367 -5.563 -1.797 1.00 21.25 O ATOM 1402 CB TYR A 91 -11.484 -3.132 -0.173 1.00 11.51 C ATOM 1403 CG TYR A 91 -11.533 -1.612 -0.145 1.00 13.45 C ATOM 1404 CD1 TYR A 91 -11.915 -0.924 1.004 1.00 12.11 C ATOM 1405 CD2 TYR A 91 -11.218 -0.864 -1.276 1.00 23.11 C ATOM 1406 CE1 TYR A 91 -11.978 0.455 1.025 1.00 61.54 C ATOM 1407 CE2 TYR A 91 -11.275 0.519 -1.261 1.00 32.32 C ATOM 1408 CZ TYR A 91 -11.659 1.172 -0.109 1.00 11.00 C ATOM 1409 OH TYR A 91 -11.724 2.549 -0.092 1.00 32.41 O ATOM 0 H TYR A 91 -13.016 -3.592 1.814 1.00 32.25 H new ATOM 0 HA TYR A 91 -13.433 -3.261 -1.061 1.00 53.24 H new ATOM 0 HB2 TYR A 91 -10.990 -3.491 0.730 1.00 11.51 H new ATOM 0 HB3 TYR A 91 -10.877 -3.456 -1.019 1.00 11.51 H new ATOM 0 HD1 TYR A 91 -12.167 -1.480 1.895 1.00 12.11 H new ATOM 0 HD2 TYR A 91 -10.924 -1.372 -2.182 1.00 23.11 H new ATOM 0 HE1 TYR A 91 -12.276 0.970 1.926 1.00 61.54 H new ATOM 0 HE2 TYR A 91 -11.020 1.083 -2.146 1.00 32.32 H new ATOM 0 HH TYR A 91 -11.467 2.899 -0.970 1.00 32.41 H new ATOM 1419 N GLY A 92 -13.172 -6.137 0.224 1.00 3.41 N ATOM 1420 CA GLY A 92 -13.229 -7.550 -0.105 1.00 21.13 C ATOM 1421 C GLY A 92 -11.858 -8.191 -0.156 1.00 0.53 C ATOM 1422 O GLY A 92 -11.465 -8.766 -1.175 1.00 14.33 O ATOM 0 H GLY A 92 -13.451 -5.908 1.178 1.00 3.41 H new ATOM 0 HA2 GLY A 92 -13.841 -8.067 0.634 1.00 21.13 H new ATOM 0 HA3 GLY A 92 -13.721 -7.675 -1.070 1.00 21.13 H new ATOM 1426 N VAL A 93 -11.119 -8.066 0.938 1.00 61.10 N ATOM 1427 CA VAL A 93 -9.826 -8.724 1.069 1.00 52.23 C ATOM 1428 C VAL A 93 -10.043 -10.185 1.473 1.00 70.02 C ATOM 1429 O VAL A 93 -10.299 -10.483 2.641 1.00 32.42 O ATOM 1430 CB VAL A 93 -8.921 -8.008 2.108 1.00 13.14 C ATOM 1431 CG1 VAL A 93 -7.551 -8.680 2.202 1.00 2.01 C ATOM 1432 CG2 VAL A 93 -8.774 -6.525 1.760 1.00 52.43 C ATOM 0 H VAL A 93 -11.394 -7.513 1.750 1.00 61.10 H new ATOM 0 HA VAL A 93 -9.316 -8.677 0.107 1.00 52.23 H new ATOM 0 HB VAL A 93 -9.400 -8.088 3.084 1.00 13.14 H new ATOM 0 HG11 VAL A 93 -6.939 -8.157 2.937 1.00 2.01 H new ATOM 0 HG12 VAL A 93 -7.676 -9.719 2.507 1.00 2.01 H new ATOM 0 HG13 VAL A 93 -7.060 -8.643 1.229 1.00 2.01 H new ATOM 0 HG21 VAL A 93 -8.137 -6.039 2.499 1.00 52.43 H new ATOM 0 HG22 VAL A 93 -8.325 -6.426 0.772 1.00 52.43 H new ATOM 0 HG23 VAL A 93 -9.756 -6.052 1.761 1.00 52.43 H new ATOM 1442 N SER A 94 -9.986 -11.080 0.485 1.00 73.11 N ATOM 1443 CA SER A 94 -10.259 -12.500 0.700 1.00 32.24 C ATOM 1444 C SER A 94 -9.276 -13.099 1.712 1.00 64.11 C ATOM 1445 O SER A 94 -9.679 -13.622 2.755 1.00 74.11 O ATOM 1446 CB SER A 94 -10.193 -13.251 -0.639 1.00 52.02 C ATOM 1447 OG SER A 94 -10.621 -14.595 -0.505 1.00 21.14 O ATOM 0 H SER A 94 -9.751 -10.843 -0.479 1.00 73.11 H new ATOM 0 HA SER A 94 -11.262 -12.606 1.113 1.00 32.24 H new ATOM 0 HB2 SER A 94 -10.817 -12.742 -1.374 1.00 52.02 H new ATOM 0 HB3 SER A 94 -9.171 -13.230 -1.019 1.00 52.02 H new ATOM 0 HG SER A 94 -10.568 -15.043 -1.375 1.00 21.14 H new ATOM 1453 N ALA A 95 -7.987 -13.017 1.399 1.00 31.14 N ATOM 1454 CA ALA A 95 -6.942 -13.467 2.310 1.00 22.24 C ATOM 1455 C ALA A 95 -6.251 -12.254 2.919 1.00 13.34 C ATOM 1456 O ALA A 95 -5.952 -11.296 2.205 1.00 23.32 O ATOM 1457 CB ALA A 95 -5.937 -14.348 1.578 1.00 45.25 C ATOM 0 H ALA A 95 -7.640 -12.641 0.516 1.00 31.14 H new ATOM 0 HA ALA A 95 -7.389 -14.062 3.106 1.00 22.24 H new ATOM 0 HB1 ALA A 95 -5.164 -14.674 2.274 1.00 45.25 H new ATOM 0 HB2 ALA A 95 -6.448 -15.219 1.168 1.00 45.25 H new ATOM 0 HB3 ALA A 95 -5.479 -13.781 0.767 1.00 45.25 H new ATOM 1463 N ILE A 96 -6.003 -12.299 4.227 1.00 15.52 N ATOM 1464 CA ILE A 96 -5.420 -11.163 4.944 1.00 35.14 C ATOM 1465 C ILE A 96 -4.138 -10.653 4.264 1.00 31.11 C ATOM 1466 O ILE A 96 -4.054 -9.472 3.939 1.00 54.10 O ATOM 1467 CB ILE A 96 -5.138 -11.496 6.438 1.00 73.53 C ATOM 1468 CG1 ILE A 96 -6.446 -11.867 7.159 1.00 52.44 C ATOM 1469 CG2 ILE A 96 -4.451 -10.319 7.139 1.00 2.20 C ATOM 1470 CD1 ILE A 96 -6.262 -12.263 8.610 1.00 72.43 C ATOM 0 H ILE A 96 -6.197 -13.111 4.814 1.00 15.52 H new ATOM 0 HA ILE A 96 -6.165 -10.368 4.910 1.00 35.14 H new ATOM 0 HB ILE A 96 -4.464 -12.352 6.477 1.00 73.53 H new ATOM 0 HG12 ILE A 96 -7.129 -11.019 7.109 1.00 52.44 H new ATOM 0 HG13 ILE A 96 -6.921 -12.691 6.626 1.00 52.44 H new ATOM 0 HG21 ILE A 96 -4.264 -10.575 8.182 1.00 2.20 H new ATOM 0 HG22 ILE A 96 -3.505 -10.102 6.643 1.00 2.20 H new ATOM 0 HG23 ILE A 96 -5.095 -9.441 7.091 1.00 2.20 H new ATOM 0 HD11 ILE A 96 -7.230 -12.509 9.046 1.00 72.43 H new ATOM 0 HD12 ILE A 96 -5.606 -13.131 8.670 1.00 72.43 H new ATOM 0 HD13 ILE A 96 -5.817 -11.434 9.160 1.00 72.43 H new ATOM 1482 N PRO A 97 -3.127 -11.523 4.018 1.00 21.21 N ATOM 1483 CA PRO A 97 -1.884 -11.094 3.361 1.00 32.50 C ATOM 1484 C PRO A 97 -2.127 -10.648 1.917 1.00 11.40 C ATOM 1485 O PRO A 97 -2.065 -11.452 0.984 1.00 15.30 O ATOM 1486 CB PRO A 97 -0.989 -12.345 3.414 1.00 60.54 C ATOM 1487 CG PRO A 97 -1.947 -13.485 3.526 1.00 61.43 C ATOM 1488 CD PRO A 97 -3.103 -12.966 4.341 1.00 31.21 C ATOM 0 HA PRO A 97 -1.435 -10.230 3.852 1.00 32.50 H new ATOM 0 HB2 PRO A 97 -0.373 -12.431 2.519 1.00 60.54 H new ATOM 0 HB3 PRO A 97 -0.310 -12.312 4.266 1.00 60.54 H new ATOM 0 HG2 PRO A 97 -2.279 -13.816 2.542 1.00 61.43 H new ATOM 0 HG3 PRO A 97 -1.480 -14.343 4.010 1.00 61.43 H new ATOM 0 HD2 PRO A 97 -4.038 -13.455 4.069 1.00 31.21 H new ATOM 0 HD3 PRO A 97 -2.952 -13.137 5.407 1.00 31.21 H new ATOM 1496 N THR A 98 -2.455 -9.370 1.755 1.00 14.42 N ATOM 1497 CA THR A 98 -2.681 -8.776 0.443 1.00 72.22 C ATOM 1498 C THR A 98 -2.349 -7.281 0.478 1.00 62.42 C ATOM 1499 O THR A 98 -2.600 -6.604 1.478 1.00 32.15 O ATOM 1500 CB THR A 98 -4.148 -8.973 -0.019 1.00 52.45 C ATOM 1501 OG1 THR A 98 -4.486 -10.366 -0.002 1.00 54.22 O ATOM 1502 CG2 THR A 98 -4.370 -8.423 -1.425 1.00 44.53 C ATOM 0 H THR A 98 -2.571 -8.717 2.530 1.00 14.42 H new ATOM 0 HA THR A 98 -2.027 -9.279 -0.269 1.00 72.22 H new ATOM 0 HB THR A 98 -4.787 -8.425 0.673 1.00 52.45 H new ATOM 0 HG1 THR A 98 -5.006 -10.567 0.804 1.00 54.22 H new ATOM 0 HG21 THR A 98 -5.409 -8.578 -1.717 1.00 44.53 H new ATOM 0 HG22 THR A 98 -4.145 -7.357 -1.438 1.00 44.53 H new ATOM 0 HG23 THR A 98 -3.715 -8.941 -2.126 1.00 44.53 H new ATOM 1510 N ILE A 99 -1.776 -6.774 -0.610 1.00 50.41 N ATOM 1511 CA ILE A 99 -1.423 -5.361 -0.723 1.00 53.50 C ATOM 1512 C ILE A 99 -2.344 -4.675 -1.732 1.00 1.23 C ATOM 1513 O ILE A 99 -2.319 -4.987 -2.924 1.00 1.41 O ATOM 1514 CB ILE A 99 0.061 -5.155 -1.166 1.00 1.33 C ATOM 1515 CG1 ILE A 99 1.051 -5.593 -0.066 1.00 22.10 C ATOM 1516 CG2 ILE A 99 0.315 -3.696 -1.556 1.00 64.40 C ATOM 1517 CD1 ILE A 99 1.113 -7.090 0.171 1.00 44.34 C ATOM 0 H ILE A 99 -1.544 -7.327 -1.435 1.00 50.41 H new ATOM 0 HA ILE A 99 -1.544 -4.919 0.266 1.00 53.50 H new ATOM 0 HB ILE A 99 0.229 -5.787 -2.038 1.00 1.33 H new ATOM 0 HG12 ILE A 99 2.047 -5.239 -0.331 1.00 22.10 H new ATOM 0 HG13 ILE A 99 0.776 -5.102 0.868 1.00 22.10 H new ATOM 0 HG21 ILE A 99 1.355 -3.577 -1.861 1.00 64.40 H new ATOM 0 HG22 ILE A 99 -0.340 -3.421 -2.383 1.00 64.40 H new ATOM 0 HG23 ILE A 99 0.111 -3.050 -0.702 1.00 64.40 H new ATOM 0 HD11 ILE A 99 1.834 -7.304 0.960 1.00 44.34 H new ATOM 0 HD12 ILE A 99 0.129 -7.452 0.470 1.00 44.34 H new ATOM 0 HD13 ILE A 99 1.420 -7.591 -0.747 1.00 44.34 H new ATOM 1529 N LEU A 100 -3.164 -3.754 -1.243 1.00 44.22 N ATOM 1530 CA LEU A 100 -4.076 -2.993 -2.093 1.00 73.31 C ATOM 1531 C LEU A 100 -3.441 -1.657 -2.464 1.00 70.54 C ATOM 1532 O LEU A 100 -3.027 -0.891 -1.592 1.00 24.34 O ATOM 1533 CB LEU A 100 -5.426 -2.769 -1.387 1.00 21.34 C ATOM 1534 CG LEU A 100 -6.349 -4.002 -1.289 1.00 22.21 C ATOM 1535 CD1 LEU A 100 -5.715 -5.110 -0.452 1.00 64.05 C ATOM 1536 CD2 LEU A 100 -7.711 -3.608 -0.720 1.00 44.31 C ATOM 0 H LEU A 100 -3.217 -3.513 -0.253 1.00 44.22 H new ATOM 0 HA LEU A 100 -4.263 -3.564 -3.002 1.00 73.31 H new ATOM 0 HB2 LEU A 100 -5.230 -2.405 -0.378 1.00 21.34 H new ATOM 0 HB3 LEU A 100 -5.962 -1.979 -1.913 1.00 21.34 H new ATOM 0 HG LEU A 100 -6.492 -4.391 -2.297 1.00 22.21 H new ATOM 0 HD11 LEU A 100 -6.392 -5.963 -0.404 1.00 64.05 H new ATOM 0 HD12 LEU A 100 -4.775 -5.419 -0.909 1.00 64.05 H new ATOM 0 HD13 LEU A 100 -5.525 -4.741 0.556 1.00 64.05 H new ATOM 0 HD21 LEU A 100 -8.348 -4.490 -0.658 1.00 44.31 H new ATOM 0 HD22 LEU A 100 -7.581 -3.184 0.276 1.00 44.31 H new ATOM 0 HD23 LEU A 100 -8.177 -2.868 -1.371 1.00 44.31 H new ATOM 1548 N MET A 101 -3.354 -1.391 -3.758 1.00 51.32 N ATOM 1549 CA MET A 101 -2.730 -0.175 -4.264 1.00 60.24 C ATOM 1550 C MET A 101 -3.798 0.908 -4.467 1.00 25.02 C ATOM 1551 O MET A 101 -4.928 0.604 -4.856 1.00 1.03 O ATOM 1552 CB MET A 101 -1.999 -0.484 -5.590 1.00 21.05 C ATOM 1553 CG MET A 101 -1.059 -1.684 -5.512 1.00 52.40 C ATOM 1554 SD MET A 101 -0.040 -1.886 -6.987 1.00 73.23 S ATOM 1555 CE MET A 101 1.067 -0.484 -6.846 1.00 14.13 C ATOM 0 H MET A 101 -3.712 -2.009 -4.486 1.00 51.32 H new ATOM 0 HA MET A 101 -2.000 0.193 -3.543 1.00 60.24 H new ATOM 0 HB2 MET A 101 -2.740 -0.665 -6.369 1.00 21.05 H new ATOM 0 HB3 MET A 101 -1.428 0.394 -5.892 1.00 21.05 H new ATOM 0 HG2 MET A 101 -0.411 -1.574 -4.643 1.00 52.40 H new ATOM 0 HG3 MET A 101 -1.647 -2.589 -5.358 1.00 52.40 H new ATOM 0 HE1 MET A 101 2.051 -0.758 -7.225 1.00 14.13 H new ATOM 0 HE2 MET A 101 0.674 0.350 -7.427 1.00 14.13 H new ATOM 0 HE3 MET A 101 1.150 -0.190 -5.800 1.00 14.13 H new ATOM 1565 N PHE A 102 -3.443 2.166 -4.195 1.00 4.55 N ATOM 1566 CA PHE A 102 -4.348 3.309 -4.381 1.00 63.44 C ATOM 1567 C PHE A 102 -3.543 4.541 -4.791 1.00 24.23 C ATOM 1568 O PHE A 102 -2.337 4.600 -4.544 1.00 61.43 O ATOM 1569 CB PHE A 102 -5.125 3.613 -3.087 1.00 43.34 C ATOM 1570 CG PHE A 102 -6.017 2.487 -2.625 1.00 51.22 C ATOM 1571 CD1 PHE A 102 -7.248 2.269 -3.225 1.00 3.12 C ATOM 1572 CD2 PHE A 102 -5.618 1.644 -1.598 1.00 72.11 C ATOM 1573 CE1 PHE A 102 -8.063 1.235 -2.807 1.00 54.12 C ATOM 1574 CE2 PHE A 102 -6.430 0.608 -1.178 1.00 41.14 C ATOM 1575 CZ PHE A 102 -7.653 0.403 -1.782 1.00 21.32 C ATOM 0 H PHE A 102 -2.522 2.424 -3.840 1.00 4.55 H new ATOM 0 HA PHE A 102 -5.063 3.056 -5.164 1.00 63.44 H new ATOM 0 HB2 PHE A 102 -4.413 3.847 -2.295 1.00 43.34 H new ATOM 0 HB3 PHE A 102 -5.733 4.504 -3.242 1.00 43.34 H new ATOM 0 HD1 PHE A 102 -7.573 2.914 -4.028 1.00 3.12 H new ATOM 0 HD2 PHE A 102 -4.661 1.799 -1.121 1.00 72.11 H new ATOM 0 HE1 PHE A 102 -9.020 1.077 -3.281 1.00 54.12 H new ATOM 0 HE2 PHE A 102 -6.107 -0.041 -0.377 1.00 41.14 H new ATOM 0 HZ PHE A 102 -8.289 -0.406 -1.455 1.00 21.32 H new ATOM 1585 N LYS A 103 -4.193 5.522 -5.423 1.00 11.51 N ATOM 1586 CA LYS A 103 -3.510 6.769 -5.784 1.00 14.44 C ATOM 1587 C LYS A 103 -4.490 7.946 -5.820 1.00 35.32 C ATOM 1588 O LYS A 103 -5.291 8.067 -6.748 1.00 0.31 O ATOM 1589 CB LYS A 103 -2.800 6.609 -7.140 1.00 50.31 C ATOM 1590 CG LYS A 103 -1.902 7.786 -7.527 1.00 22.14 C ATOM 1591 CD LYS A 103 -1.066 7.474 -8.770 1.00 53.55 C ATOM 1592 CE LYS A 103 -1.918 7.348 -10.033 1.00 1.34 C ATOM 1593 NZ LYS A 103 -2.388 8.671 -10.532 1.00 61.51 N ATOM 0 H LYS A 103 -5.176 5.480 -5.692 1.00 11.51 H new ATOM 0 HA LYS A 103 -2.763 6.985 -5.020 1.00 14.44 H new ATOM 0 HB2 LYS A 103 -2.198 5.701 -7.116 1.00 50.31 H new ATOM 0 HB3 LYS A 103 -3.553 6.472 -7.916 1.00 50.31 H new ATOM 0 HG2 LYS A 103 -2.516 8.667 -7.713 1.00 22.14 H new ATOM 0 HG3 LYS A 103 -1.241 8.029 -6.695 1.00 22.14 H new ATOM 0 HD2 LYS A 103 -0.325 8.261 -8.912 1.00 53.55 H new ATOM 0 HD3 LYS A 103 -0.518 6.545 -8.611 1.00 53.55 H new ATOM 0 HE2 LYS A 103 -1.338 6.853 -10.812 1.00 1.34 H new ATOM 0 HE3 LYS A 103 -2.780 6.713 -9.826 1.00 1.34 H new ATOM 0 HZ1 LYS A 103 -2.947 8.537 -11.399 1.00 61.51 H new ATOM 0 HZ2 LYS A 103 -2.978 9.126 -9.806 1.00 61.51 H new ATOM 0 HZ3 LYS A 103 -1.567 9.275 -10.740 1.00 61.51 H new ATOM 1607 N ASN A 104 -4.423 8.801 -4.794 1.00 54.51 N ATOM 1608 CA ASN A 104 -5.264 10.006 -4.705 1.00 5.35 C ATOM 1609 C ASN A 104 -6.746 9.629 -4.784 1.00 43.50 C ATOM 1610 O ASN A 104 -7.527 10.249 -5.505 1.00 11.42 O ATOM 1611 CB ASN A 104 -4.896 11.005 -5.823 1.00 10.32 C ATOM 1612 CG ASN A 104 -5.440 12.413 -5.586 1.00 11.32 C ATOM 1613 OD1 ASN A 104 -6.454 12.611 -4.914 1.00 74.43 O ATOM 1614 ND2 ASN A 104 -4.771 13.410 -6.150 1.00 33.32 N ATOM 0 H ASN A 104 -3.789 8.681 -4.004 1.00 54.51 H new ATOM 0 HA ASN A 104 -5.082 10.486 -3.744 1.00 5.35 H new ATOM 0 HB2 ASN A 104 -3.811 11.054 -5.913 1.00 10.32 H new ATOM 0 HB3 ASN A 104 -5.278 10.632 -6.773 1.00 10.32 H new ATOM 0 HD21 ASN A 104 -5.093 14.371 -6.033 1.00 33.32 H new ATOM 0 HD22 ASN A 104 -3.935 13.216 -6.701 1.00 33.32 H new ATOM 1621 N GLY A 105 -7.116 8.582 -4.056 1.00 33.41 N ATOM 1622 CA GLY A 105 -8.495 8.120 -4.047 1.00 52.34 C ATOM 1623 C GLY A 105 -8.850 7.305 -5.280 1.00 61.41 C ATOM 1624 O GLY A 105 -9.858 6.598 -5.292 1.00 5.14 O ATOM 0 H GLY A 105 -6.483 8.041 -3.468 1.00 33.41 H new ATOM 0 HA2 GLY A 105 -8.665 7.516 -3.156 1.00 52.34 H new ATOM 0 HA3 GLY A 105 -9.161 8.980 -3.981 1.00 52.34 H new ATOM 1628 N LYS A 106 -8.022 7.405 -6.320 1.00 14.23 N ATOM 1629 CA LYS A 106 -8.252 6.685 -7.570 1.00 45.31 C ATOM 1630 C LYS A 106 -7.795 5.232 -7.413 1.00 33.42 C ATOM 1631 O LYS A 106 -6.757 4.961 -6.787 1.00 3.35 O ATOM 1632 CB LYS A 106 -7.520 7.401 -8.730 1.00 73.12 C ATOM 1633 CG LYS A 106 -7.866 6.890 -10.134 1.00 63.44 C ATOM 1634 CD LYS A 106 -7.061 5.652 -10.517 1.00 12.02 C ATOM 1635 CE LYS A 106 -7.500 5.072 -11.856 1.00 41.31 C ATOM 1636 NZ LYS A 106 -6.743 3.837 -12.193 1.00 4.45 N ATOM 0 H LYS A 106 -7.181 7.982 -6.320 1.00 14.23 H new ATOM 0 HA LYS A 106 -9.316 6.677 -7.809 1.00 45.31 H new ATOM 0 HB2 LYS A 106 -7.749 8.465 -8.681 1.00 73.12 H new ATOM 0 HB3 LYS A 106 -6.445 7.299 -8.578 1.00 73.12 H new ATOM 0 HG2 LYS A 106 -8.930 6.657 -10.181 1.00 63.44 H new ATOM 0 HG3 LYS A 106 -7.680 7.680 -10.861 1.00 63.44 H new ATOM 0 HD2 LYS A 106 -6.003 5.909 -10.564 1.00 12.02 H new ATOM 0 HD3 LYS A 106 -7.171 4.894 -9.741 1.00 12.02 H new ATOM 0 HE2 LYS A 106 -8.566 4.848 -11.824 1.00 41.31 H new ATOM 0 HE3 LYS A 106 -7.353 5.815 -12.640 1.00 41.31 H new ATOM 0 HZ1 LYS A 106 -7.286 3.273 -12.878 1.00 4.45 H new ATOM 0 HZ2 LYS A 106 -5.824 4.095 -12.607 1.00 4.45 H new ATOM 0 HZ3 LYS A 106 -6.589 3.278 -11.330 1.00 4.45 H new ATOM 1650 N LYS A 107 -8.582 4.310 -7.976 1.00 22.44 N ATOM 1651 CA LYS A 107 -8.343 2.879 -7.818 1.00 72.33 C ATOM 1652 C LYS A 107 -7.083 2.419 -8.544 1.00 52.31 C ATOM 1653 O LYS A 107 -6.819 2.782 -9.691 1.00 5.40 O ATOM 1654 CB LYS A 107 -9.561 2.067 -8.288 1.00 61.24 C ATOM 1655 CG LYS A 107 -10.466 1.602 -7.147 1.00 31.31 C ATOM 1656 CD LYS A 107 -9.789 0.543 -6.275 1.00 71.30 C ATOM 1657 CE LYS A 107 -9.525 -0.752 -7.044 1.00 63.33 C ATOM 1658 NZ LYS A 107 -10.785 -1.392 -7.513 1.00 51.50 N ATOM 0 H LYS A 107 -9.395 4.536 -8.549 1.00 22.44 H new ATOM 0 HA LYS A 107 -8.188 2.699 -6.754 1.00 72.33 H new ATOM 0 HB2 LYS A 107 -10.146 2.673 -8.980 1.00 61.24 H new ATOM 0 HB3 LYS A 107 -9.214 1.195 -8.843 1.00 61.24 H new ATOM 0 HG2 LYS A 107 -10.741 2.458 -6.530 1.00 31.31 H new ATOM 0 HG3 LYS A 107 -11.390 1.196 -7.559 1.00 31.31 H new ATOM 0 HD2 LYS A 107 -8.847 0.936 -5.894 1.00 71.30 H new ATOM 0 HD3 LYS A 107 -10.418 0.329 -5.411 1.00 71.30 H new ATOM 0 HE2 LYS A 107 -8.886 -0.540 -7.901 1.00 63.33 H new ATOM 0 HE3 LYS A 107 -8.981 -1.448 -6.405 1.00 63.33 H new ATOM 0 HZ1 LYS A 107 -10.582 -2.356 -7.846 1.00 51.50 H new ATOM 0 HZ2 LYS A 107 -11.466 -1.433 -6.728 1.00 51.50 H new ATOM 0 HZ3 LYS A 107 -11.188 -0.834 -8.293 1.00 51.50 H new ATOM 1672 N LEU A 108 -6.344 1.588 -7.842 1.00 15.22 N ATOM 1673 CA LEU A 108 -5.050 1.080 -8.255 1.00 23.54 C ATOM 1674 C LEU A 108 -5.042 -0.427 -8.014 1.00 22.20 C ATOM 1675 O LEU A 108 -5.952 -0.955 -7.371 1.00 1.53 O ATOM 1676 CB LEU A 108 -3.912 1.794 -7.505 1.00 2.50 C ATOM 1677 CG LEU A 108 -2.935 2.605 -8.371 1.00 33.12 C ATOM 1678 CD1 LEU A 108 -2.157 1.690 -9.310 1.00 12.14 C ATOM 1679 CD2 LEU A 108 -3.675 3.686 -9.155 1.00 12.34 C ATOM 0 H LEU A 108 -6.638 1.233 -6.932 1.00 15.22 H new ATOM 0 HA LEU A 108 -4.882 1.277 -9.314 1.00 23.54 H new ATOM 0 HB2 LEU A 108 -4.355 2.464 -6.768 1.00 2.50 H new ATOM 0 HB3 LEU A 108 -3.342 1.046 -6.954 1.00 2.50 H new ATOM 0 HG LEU A 108 -2.222 3.096 -7.709 1.00 33.12 H new ATOM 0 HD11 LEU A 108 -1.472 2.285 -9.913 1.00 12.14 H new ATOM 0 HD12 LEU A 108 -1.590 0.966 -8.725 1.00 12.14 H new ATOM 0 HD13 LEU A 108 -2.852 1.164 -9.964 1.00 12.14 H new ATOM 0 HD21 LEU A 108 -2.964 4.247 -9.761 1.00 12.34 H new ATOM 0 HD22 LEU A 108 -4.417 3.221 -9.804 1.00 12.34 H new ATOM 0 HD23 LEU A 108 -4.173 4.362 -8.461 1.00 12.34 H new ATOM 1691 N SER A 109 -4.043 -1.114 -8.546 1.00 34.54 N ATOM 1692 CA SER A 109 -4.053 -2.570 -8.634 1.00 22.03 C ATOM 1693 C SER A 109 -3.902 -3.238 -7.260 1.00 22.53 C ATOM 1694 O SER A 109 -3.860 -2.569 -6.233 1.00 40.01 O ATOM 1695 CB SER A 109 -2.881 -2.987 -9.528 1.00 34.35 C ATOM 1696 OG SER A 109 -3.180 -2.790 -10.904 1.00 30.42 O ATOM 0 H SER A 109 -3.203 -0.681 -8.929 1.00 34.54 H new ATOM 0 HA SER A 109 -5.011 -2.890 -9.043 1.00 22.03 H new ATOM 0 HB2 SER A 109 -1.995 -2.411 -9.261 1.00 34.35 H new ATOM 0 HB3 SER A 109 -2.644 -4.036 -9.353 1.00 34.35 H new ATOM 0 HG SER A 109 -2.412 -3.064 -11.448 1.00 30.42 H new ATOM 1702 N GLN A 110 -3.875 -4.570 -7.246 1.00 2.23 N ATOM 1703 CA GLN A 110 -3.842 -5.323 -5.996 1.00 30.15 C ATOM 1704 C GLN A 110 -2.872 -6.495 -6.104 1.00 24.40 C ATOM 1705 O GLN A 110 -3.016 -7.353 -6.979 1.00 72.20 O ATOM 1706 CB GLN A 110 -5.250 -5.837 -5.652 1.00 64.24 C ATOM 1707 CG GLN A 110 -5.347 -6.521 -4.292 1.00 20.24 C ATOM 1708 CD GLN A 110 -6.708 -7.155 -4.041 1.00 21.41 C ATOM 1709 OE1 GLN A 110 -7.628 -6.515 -3.535 1.00 72.31 O ATOM 1710 NE2 GLN A 110 -6.844 -8.424 -4.389 1.00 13.01 N ATOM 0 H GLN A 110 -3.875 -5.148 -8.086 1.00 2.23 H new ATOM 0 HA GLN A 110 -3.501 -4.660 -5.201 1.00 30.15 H new ATOM 0 HB2 GLN A 110 -5.947 -4.999 -5.676 1.00 64.24 H new ATOM 0 HB3 GLN A 110 -5.568 -6.539 -6.423 1.00 64.24 H new ATOM 0 HG2 GLN A 110 -4.576 -7.289 -4.222 1.00 20.24 H new ATOM 0 HG3 GLN A 110 -5.142 -5.791 -3.509 1.00 20.24 H new ATOM 0 HE21 GLN A 110 -6.060 -8.925 -4.807 1.00 13.01 H new ATOM 0 HE22 GLN A 110 -7.733 -8.901 -4.240 1.00 13.01 H new ATOM 1719 N VAL A 111 -1.883 -6.522 -5.220 1.00 33.51 N ATOM 1720 CA VAL A 111 -0.919 -7.614 -5.159 1.00 50.52 C ATOM 1721 C VAL A 111 -1.325 -8.603 -4.069 1.00 34.31 C ATOM 1722 O VAL A 111 -1.215 -8.305 -2.879 1.00 53.21 O ATOM 1723 CB VAL A 111 0.516 -7.095 -4.880 1.00 32.11 C ATOM 1724 CG1 VAL A 111 1.515 -8.253 -4.836 1.00 73.33 C ATOM 1725 CG2 VAL A 111 0.931 -6.056 -5.925 1.00 3.44 C ATOM 0 H VAL A 111 -1.726 -5.790 -4.527 1.00 33.51 H new ATOM 0 HA VAL A 111 -0.917 -8.110 -6.129 1.00 50.52 H new ATOM 0 HB VAL A 111 0.517 -6.611 -3.903 1.00 32.11 H new ATOM 0 HG11 VAL A 111 2.514 -7.864 -4.639 1.00 73.33 H new ATOM 0 HG12 VAL A 111 1.233 -8.947 -4.044 1.00 73.33 H new ATOM 0 HG13 VAL A 111 1.511 -8.774 -5.793 1.00 73.33 H new ATOM 0 HG21 VAL A 111 1.941 -5.706 -5.709 1.00 3.44 H new ATOM 0 HG22 VAL A 111 0.908 -6.508 -6.917 1.00 3.44 H new ATOM 0 HG23 VAL A 111 0.241 -5.213 -5.894 1.00 3.44 H new ATOM 1735 N ILE A 112 -1.810 -9.768 -4.481 1.00 61.41 N ATOM 1736 CA ILE A 112 -2.257 -10.793 -3.543 1.00 20.23 C ATOM 1737 C ILE A 112 -1.063 -11.571 -2.991 1.00 51.24 C ATOM 1738 O ILE A 112 -0.159 -11.949 -3.741 1.00 24.21 O ATOM 1739 CB ILE A 112 -3.247 -11.775 -4.224 1.00 60.24 C ATOM 1740 CG1 ILE A 112 -4.436 -11.000 -4.819 1.00 71.00 C ATOM 1741 CG2 ILE A 112 -3.732 -12.837 -3.232 1.00 4.45 C ATOM 1742 CD1 ILE A 112 -5.411 -11.865 -5.588 1.00 64.05 C ATOM 0 H ILE A 112 -1.904 -10.028 -5.463 1.00 61.41 H new ATOM 0 HA ILE A 112 -2.770 -10.292 -2.722 1.00 20.23 H new ATOM 0 HB ILE A 112 -2.726 -12.287 -5.033 1.00 60.24 H new ATOM 0 HG12 ILE A 112 -4.970 -10.498 -4.012 1.00 71.00 H new ATOM 0 HG13 ILE A 112 -4.055 -10.223 -5.481 1.00 71.00 H new ATOM 0 HG21 ILE A 112 -4.425 -13.513 -3.733 1.00 4.45 H new ATOM 0 HG22 ILE A 112 -2.878 -13.403 -2.859 1.00 4.45 H new ATOM 0 HG23 ILE A 112 -4.238 -12.351 -2.398 1.00 4.45 H new ATOM 0 HD11 ILE A 112 -6.220 -11.245 -5.975 1.00 64.05 H new ATOM 0 HD12 ILE A 112 -4.894 -12.347 -6.418 1.00 64.05 H new ATOM 0 HD13 ILE A 112 -5.823 -12.626 -4.926 1.00 64.05 H new ATOM 1754 N GLY A 113 -1.060 -11.796 -1.681 1.00 72.03 N ATOM 1755 CA GLY A 113 0.024 -12.524 -1.051 1.00 15.15 C ATOM 1756 C GLY A 113 1.184 -11.615 -0.699 1.00 21.43 C ATOM 1757 O GLY A 113 0.984 -10.496 -0.222 1.00 62.30 O ATOM 0 H GLY A 113 -1.793 -11.485 -1.043 1.00 72.03 H new ATOM 0 HA2 GLY A 113 -0.343 -13.011 -0.148 1.00 15.15 H new ATOM 0 HA3 GLY A 113 0.370 -13.312 -1.720 1.00 15.15 H new ATOM 1761 N ALA A 114 2.400 -12.086 -0.952 1.00 12.13 N ATOM 1762 CA ALA A 114 3.603 -11.332 -0.626 1.00 3.22 C ATOM 1763 C ALA A 114 4.681 -11.568 -1.682 1.00 74.12 C ATOM 1764 O ALA A 114 5.615 -12.347 -1.472 1.00 1.14 O ATOM 1765 CB ALA A 114 4.105 -11.715 0.766 1.00 61.22 C ATOM 0 H ALA A 114 2.578 -12.992 -1.385 1.00 12.13 H new ATOM 0 HA ALA A 114 3.363 -10.269 -0.621 1.00 3.22 H new ATOM 0 HB1 ALA A 114 5.004 -11.145 0.998 1.00 61.22 H new ATOM 0 HB2 ALA A 114 3.334 -11.494 1.504 1.00 61.22 H new ATOM 0 HB3 ALA A 114 4.335 -12.780 0.790 1.00 61.22 H new ATOM 1771 N ASP A 115 4.524 -10.920 -2.836 1.00 10.11 N ATOM 1772 CA ASP A 115 5.487 -11.047 -3.932 1.00 4.12 C ATOM 1773 C ASP A 115 6.130 -9.690 -4.223 1.00 61.45 C ATOM 1774 O ASP A 115 5.519 -8.814 -4.849 1.00 1.11 O ATOM 1775 CB ASP A 115 4.807 -11.599 -5.193 1.00 31.41 C ATOM 1776 CG ASP A 115 5.812 -12.090 -6.227 1.00 31.44 C ATOM 1777 OD1 ASP A 115 6.548 -11.260 -6.800 1.00 23.31 O ATOM 1778 OD2 ASP A 115 5.877 -13.316 -6.464 1.00 13.51 O ATOM 0 H ASP A 115 3.739 -10.301 -3.037 1.00 10.11 H new ATOM 0 HA ASP A 115 6.264 -11.749 -3.631 1.00 4.12 H new ATOM 0 HB2 ASP A 115 4.145 -12.419 -4.916 1.00 31.41 H new ATOM 0 HB3 ASP A 115 4.184 -10.822 -5.636 1.00 31.41 H new ATOM 1783 N ILE A 116 7.368 -9.526 -3.766 1.00 53.43 N ATOM 1784 CA ILE A 116 8.064 -8.247 -3.852 1.00 31.03 C ATOM 1785 C ILE A 116 8.271 -7.850 -5.316 1.00 31.55 C ATOM 1786 O ILE A 116 8.148 -6.679 -5.673 1.00 50.41 O ATOM 1787 CB ILE A 116 9.423 -8.300 -3.079 1.00 33.02 C ATOM 1788 CG1 ILE A 116 9.839 -6.902 -2.564 1.00 35.03 C ATOM 1789 CG2 ILE A 116 10.534 -8.913 -3.935 1.00 64.13 C ATOM 1790 CD1 ILE A 116 10.270 -5.918 -3.632 1.00 54.20 C ATOM 0 H ILE A 116 7.913 -10.269 -3.329 1.00 53.43 H new ATOM 0 HA ILE A 116 7.446 -7.483 -3.379 1.00 31.03 H new ATOM 0 HB ILE A 116 9.272 -8.945 -2.214 1.00 33.02 H new ATOM 0 HG12 ILE A 116 9.002 -6.472 -2.014 1.00 35.03 H new ATOM 0 HG13 ILE A 116 10.657 -7.024 -1.854 1.00 35.03 H new ATOM 0 HG21 ILE A 116 11.463 -8.933 -3.365 1.00 64.13 H new ATOM 0 HG22 ILE A 116 10.258 -9.929 -4.216 1.00 64.13 H new ATOM 0 HG23 ILE A 116 10.673 -8.313 -4.834 1.00 64.13 H new ATOM 0 HD11 ILE A 116 10.541 -4.971 -3.166 1.00 54.20 H new ATOM 0 HD12 ILE A 116 11.131 -6.317 -4.169 1.00 54.20 H new ATOM 0 HD13 ILE A 116 9.449 -5.757 -4.331 1.00 54.20 H new ATOM 1802 N SER A 117 8.539 -8.842 -6.163 1.00 43.32 N ATOM 1803 CA SER A 117 8.777 -8.602 -7.580 1.00 22.04 C ATOM 1804 C SER A 117 7.519 -8.025 -8.236 1.00 32.31 C ATOM 1805 O SER A 117 7.595 -7.078 -9.022 1.00 2.44 O ATOM 1806 CB SER A 117 9.209 -9.900 -8.277 1.00 52.32 C ATOM 1807 OG SER A 117 9.586 -9.664 -9.624 1.00 13.34 O ATOM 0 H SER A 117 8.596 -9.823 -5.888 1.00 43.32 H new ATOM 0 HA SER A 117 9.583 -7.876 -7.684 1.00 22.04 H new ATOM 0 HB2 SER A 117 10.045 -10.344 -7.736 1.00 52.32 H new ATOM 0 HB3 SER A 117 8.391 -10.620 -8.247 1.00 52.32 H new ATOM 0 HG SER A 117 9.857 -10.509 -10.041 1.00 13.34 H new ATOM 1813 N LYS A 118 6.362 -8.587 -7.892 1.00 0.05 N ATOM 1814 CA LYS A 118 5.087 -8.098 -8.405 1.00 54.24 C ATOM 1815 C LYS A 118 4.810 -6.691 -7.876 1.00 1.13 C ATOM 1816 O LYS A 118 4.344 -5.822 -8.618 1.00 53.42 O ATOM 1817 CB LYS A 118 3.946 -9.060 -8.023 1.00 34.44 C ATOM 1818 CG LYS A 118 2.547 -8.566 -8.396 1.00 51.32 C ATOM 1819 CD LYS A 118 2.409 -8.264 -9.890 1.00 53.52 C ATOM 1820 CE LYS A 118 1.001 -7.790 -10.234 1.00 35.45 C ATOM 1821 NZ LYS A 118 0.878 -7.369 -11.655 1.00 4.12 N ATOM 0 H LYS A 118 6.283 -9.383 -7.259 1.00 0.05 H new ATOM 0 HA LYS A 118 5.142 -8.053 -9.493 1.00 54.24 H new ATOM 0 HB2 LYS A 118 4.120 -10.020 -8.509 1.00 34.44 H new ATOM 0 HB3 LYS A 118 3.981 -9.236 -6.948 1.00 34.44 H new ATOM 0 HG2 LYS A 118 1.812 -9.319 -8.112 1.00 51.32 H new ATOM 0 HG3 LYS A 118 2.319 -7.666 -7.825 1.00 51.32 H new ATOM 0 HD2 LYS A 118 3.132 -7.500 -10.177 1.00 53.52 H new ATOM 0 HD3 LYS A 118 2.645 -9.158 -10.467 1.00 53.52 H new ATOM 0 HE2 LYS A 118 0.291 -8.592 -10.032 1.00 35.45 H new ATOM 0 HE3 LYS A 118 0.732 -6.956 -9.586 1.00 35.45 H new ATOM 0 HZ1 LYS A 118 0.775 -6.335 -11.703 1.00 4.12 H new ATOM 0 HZ2 LYS A 118 1.730 -7.657 -12.177 1.00 4.12 H new ATOM 0 HZ3 LYS A 118 0.043 -7.820 -12.080 1.00 4.12 H new ATOM 1835 N ILE A 119 5.111 -6.468 -6.598 1.00 25.52 N ATOM 1836 CA ILE A 119 4.913 -5.155 -5.986 1.00 34.12 C ATOM 1837 C ILE A 119 5.736 -4.081 -6.708 1.00 62.44 C ATOM 1838 O ILE A 119 5.186 -3.089 -7.192 1.00 63.01 O ATOM 1839 CB ILE A 119 5.279 -5.165 -4.480 1.00 54.42 C ATOM 1840 CG1 ILE A 119 4.360 -6.130 -3.709 1.00 13.45 C ATOM 1841 CG2 ILE A 119 5.195 -3.753 -3.896 1.00 60.41 C ATOM 1842 CD1 ILE A 119 4.656 -6.217 -2.225 1.00 20.31 C ATOM 0 H ILE A 119 5.491 -7.175 -5.969 1.00 25.52 H new ATOM 0 HA ILE A 119 3.854 -4.917 -6.082 1.00 34.12 H new ATOM 0 HB ILE A 119 6.306 -5.515 -4.377 1.00 54.42 H new ATOM 0 HG12 ILE A 119 3.325 -5.814 -3.844 1.00 13.45 H new ATOM 0 HG13 ILE A 119 4.449 -7.125 -4.145 1.00 13.45 H new ATOM 0 HG21 ILE A 119 5.455 -3.781 -2.838 1.00 60.41 H new ATOM 0 HG22 ILE A 119 5.889 -3.099 -4.424 1.00 60.41 H new ATOM 0 HG23 ILE A 119 4.180 -3.372 -4.010 1.00 60.41 H new ATOM 0 HD11 ILE A 119 3.965 -6.917 -1.757 1.00 20.31 H new ATOM 0 HD12 ILE A 119 5.679 -6.564 -2.078 1.00 20.31 H new ATOM 0 HD13 ILE A 119 4.538 -5.233 -1.772 1.00 20.31 H new ATOM 1854 N ILE A 120 7.052 -4.290 -6.793 1.00 32.52 N ATOM 1855 CA ILE A 120 7.940 -3.323 -7.442 1.00 55.23 C ATOM 1856 C ILE A 120 7.581 -3.181 -8.919 1.00 15.41 C ATOM 1857 O ILE A 120 7.689 -2.089 -9.497 1.00 33.21 O ATOM 1858 CB ILE A 120 9.442 -3.703 -7.294 1.00 14.44 C ATOM 1859 CG1 ILE A 120 10.337 -2.586 -7.865 1.00 15.14 C ATOM 1860 CG2 ILE A 120 9.742 -5.039 -7.971 1.00 62.04 C ATOM 1861 CD1 ILE A 120 11.822 -2.861 -7.729 1.00 1.42 C ATOM 0 H ILE A 120 7.524 -5.115 -6.423 1.00 32.52 H new ATOM 0 HA ILE A 120 7.795 -2.368 -6.937 1.00 55.23 H new ATOM 0 HB ILE A 120 9.662 -3.813 -6.232 1.00 14.44 H new ATOM 0 HG12 ILE A 120 10.098 -2.445 -8.919 1.00 15.14 H new ATOM 0 HG13 ILE A 120 10.102 -1.650 -7.357 1.00 15.14 H new ATOM 0 HG21 ILE A 120 10.799 -5.278 -7.851 1.00 62.04 H new ATOM 0 HG22 ILE A 120 9.138 -5.823 -7.513 1.00 62.04 H new ATOM 0 HG23 ILE A 120 9.503 -4.971 -9.032 1.00 62.04 H new ATOM 0 HD11 ILE A 120 12.386 -2.030 -8.153 1.00 1.42 H new ATOM 0 HD12 ILE A 120 12.077 -2.972 -6.675 1.00 1.42 H new ATOM 0 HD13 ILE A 120 12.072 -3.779 -8.261 1.00 1.42 H new ATOM 1873 N SER A 121 7.141 -4.288 -9.520 1.00 1.04 N ATOM 1874 CA SER A 121 6.675 -4.286 -10.899 1.00 74.14 C ATOM 1875 C SER A 121 5.561 -3.257 -11.061 1.00 43.54 C ATOM 1876 O SER A 121 5.635 -2.382 -11.924 1.00 33.32 O ATOM 1877 CB SER A 121 6.183 -5.686 -11.305 1.00 62.51 C ATOM 1878 OG SER A 121 5.784 -5.726 -12.665 1.00 14.54 O ATOM 0 H SER A 121 7.099 -5.200 -9.066 1.00 1.04 H new ATOM 0 HA SER A 121 7.504 -4.017 -11.554 1.00 74.14 H new ATOM 0 HB2 SER A 121 6.977 -6.414 -11.137 1.00 62.51 H new ATOM 0 HB3 SER A 121 5.345 -5.976 -10.671 1.00 62.51 H new ATOM 0 HG SER A 121 5.479 -6.630 -12.890 1.00 14.54 H new ATOM 1884 N GLU A 122 4.556 -3.340 -10.191 1.00 62.03 N ATOM 1885 CA GLU A 122 3.439 -2.405 -10.215 1.00 62.12 C ATOM 1886 C GLU A 122 3.917 -0.980 -9.957 1.00 34.02 C ATOM 1887 O GLU A 122 3.458 -0.041 -10.604 1.00 71.22 O ATOM 1888 CB GLU A 122 2.379 -2.801 -9.178 1.00 20.12 C ATOM 1889 CG GLU A 122 1.559 -4.027 -9.563 1.00 35.55 C ATOM 1890 CD GLU A 122 0.842 -3.854 -10.895 1.00 23.13 C ATOM 1891 OE1 GLU A 122 0.082 -2.869 -11.045 1.00 14.53 O ATOM 1892 OE2 GLU A 122 1.027 -4.705 -11.794 1.00 42.21 O ATOM 0 H GLU A 122 4.495 -4.048 -9.460 1.00 62.03 H new ATOM 0 HA GLU A 122 2.990 -2.445 -11.207 1.00 62.12 H new ATOM 0 HB2 GLU A 122 2.872 -2.992 -8.225 1.00 20.12 H new ATOM 0 HB3 GLU A 122 1.704 -1.959 -9.025 1.00 20.12 H new ATOM 0 HG2 GLU A 122 2.214 -4.896 -9.617 1.00 35.55 H new ATOM 0 HG3 GLU A 122 0.825 -4.229 -8.783 1.00 35.55 H new ATOM 1899 N ILE A 123 4.846 -0.821 -9.019 1.00 63.44 N ATOM 1900 CA ILE A 123 5.360 0.503 -8.683 1.00 11.44 C ATOM 1901 C ILE A 123 5.920 1.205 -9.926 1.00 22.20 C ATOM 1902 O ILE A 123 5.460 2.288 -10.298 1.00 5.14 O ATOM 1903 CB ILE A 123 6.464 0.419 -7.592 1.00 3.43 C ATOM 1904 CG1 ILE A 123 5.877 -0.135 -6.281 1.00 22.04 C ATOM 1905 CG2 ILE A 123 7.107 1.787 -7.362 1.00 71.32 C ATOM 1906 CD1 ILE A 123 6.897 -0.290 -5.168 1.00 14.12 C ATOM 0 H ILE A 123 5.256 -1.585 -8.482 1.00 63.44 H new ATOM 0 HA ILE A 123 4.525 1.084 -8.292 1.00 11.44 H new ATOM 0 HB ILE A 123 7.241 -0.263 -7.939 1.00 3.43 H new ATOM 0 HG12 ILE A 123 5.081 0.528 -5.942 1.00 22.04 H new ATOM 0 HG13 ILE A 123 5.420 -1.105 -6.480 1.00 22.04 H new ATOM 0 HG21 ILE A 123 7.876 1.703 -6.594 1.00 71.32 H new ATOM 0 HG22 ILE A 123 7.557 2.138 -8.290 1.00 71.32 H new ATOM 0 HG23 ILE A 123 6.346 2.497 -7.037 1.00 71.32 H new ATOM 0 HD11 ILE A 123 6.407 -0.685 -4.278 1.00 14.12 H new ATOM 0 HD12 ILE A 123 7.681 -0.977 -5.486 1.00 14.12 H new ATOM 0 HD13 ILE A 123 7.337 0.681 -4.939 1.00 14.12 H new ATOM 1918 N ASN A 124 6.866 0.560 -10.605 1.00 74.11 N ATOM 1919 CA ASN A 124 7.495 1.170 -11.778 1.00 11.12 C ATOM 1920 C ASN A 124 6.521 1.208 -12.958 1.00 2.40 C ATOM 1921 O ASN A 124 6.593 2.103 -13.804 1.00 0.31 O ATOM 1922 CB ASN A 124 8.797 0.446 -12.180 1.00 41.12 C ATOM 1923 CG ASN A 124 8.572 -0.896 -12.861 1.00 24.00 C ATOM 1924 OD1 ASN A 124 8.357 -0.962 -14.071 1.00 13.14 O ATOM 1925 ND2 ASN A 124 8.648 -1.975 -12.099 1.00 41.04 N ATOM 0 H ASN A 124 7.211 -0.371 -10.370 1.00 74.11 H new ATOM 0 HA ASN A 124 7.759 2.192 -11.505 1.00 11.12 H new ATOM 0 HB2 ASN A 124 9.368 1.090 -12.849 1.00 41.12 H new ATOM 0 HB3 ASN A 124 9.406 0.293 -11.289 1.00 41.12 H new ATOM 0 HD21 ASN A 124 8.527 -2.900 -12.511 1.00 41.04 H new ATOM 0 HD22 ASN A 124 8.828 -1.882 -11.099 1.00 41.04 H new ATOM 1932 N ASN A 125 5.606 0.244 -13.001 1.00 11.42 N ATOM 1933 CA ASN A 125 4.602 0.164 -14.068 1.00 21.13 C ATOM 1934 C ASN A 125 3.607 1.317 -13.971 1.00 50.43 C ATOM 1935 O ASN A 125 3.205 1.897 -14.983 1.00 2.34 O ATOM 1936 CB ASN A 125 3.851 -1.177 -13.996 1.00 71.42 C ATOM 1937 CG ASN A 125 2.724 -1.291 -15.016 1.00 73.25 C ATOM 1938 OD1 ASN A 125 2.799 -0.739 -16.115 1.00 31.25 O ATOM 1939 ND2 ASN A 125 1.664 -2.001 -14.655 1.00 43.41 N ATOM 0 H ASN A 125 5.536 -0.499 -12.306 1.00 11.42 H new ATOM 0 HA ASN A 125 5.122 0.234 -15.023 1.00 21.13 H new ATOM 0 HB2 ASN A 125 4.559 -1.991 -14.154 1.00 71.42 H new ATOM 0 HB3 ASN A 125 3.440 -1.302 -12.994 1.00 71.42 H new ATOM 0 HD21 ASN A 125 0.877 -2.104 -15.295 1.00 43.41 H new ATOM 0 HD22 ASN A 125 1.636 -2.445 -13.737 1.00 43.41 H new ATOM 1946 N ASN A 126 3.222 1.649 -12.746 1.00 60.32 N ATOM 1947 CA ASN A 126 2.170 2.633 -12.507 1.00 25.33 C ATOM 1948 C ASN A 126 2.747 4.046 -12.389 1.00 73.00 C ATOM 1949 O ASN A 126 2.045 5.030 -12.635 1.00 61.10 O ATOM 1950 CB ASN A 126 1.381 2.249 -11.245 1.00 63.13 C ATOM 1951 CG ASN A 126 0.666 0.908 -11.397 1.00 62.32 C ATOM 1952 OD1 ASN A 126 0.188 0.558 -12.478 1.00 31.13 O ATOM 1953 ND2 ASN A 126 0.604 0.138 -10.322 1.00 1.22 N ATOM 0 H ASN A 126 3.624 1.250 -11.897 1.00 60.32 H new ATOM 0 HA ASN A 126 1.492 2.634 -13.360 1.00 25.33 H new ATOM 0 HB2 ASN A 126 2.061 2.202 -10.394 1.00 63.13 H new ATOM 0 HB3 ASN A 126 0.649 3.026 -11.026 1.00 63.13 H new ATOM 0 HD21 ASN A 126 0.151 -0.774 -10.374 1.00 1.22 H new ATOM 0 HD22 ASN A 126 1.009 0.457 -9.442 1.00 1.22 H new ATOM 1960 N ILE A 127 4.024 4.150 -12.006 1.00 42.01 N ATOM 1961 CA ILE A 127 4.709 5.449 -11.973 1.00 10.23 C ATOM 1962 C ILE A 127 5.121 5.882 -13.382 1.00 12.53 C ATOM 1963 O ILE A 127 4.772 6.975 -13.833 1.00 31.51 O ATOM 1964 CB ILE A 127 5.963 5.427 -11.055 1.00 20.44 C ATOM 1965 CG1 ILE A 127 5.551 5.239 -9.584 1.00 12.52 C ATOM 1966 CG2 ILE A 127 6.785 6.712 -11.220 1.00 24.40 C ATOM 1967 CD1 ILE A 127 6.718 5.212 -8.618 1.00 51.44 C ATOM 0 H ILE A 127 4.600 3.360 -11.717 1.00 42.01 H new ATOM 0 HA ILE A 127 3.999 6.166 -11.562 1.00 10.23 H new ATOM 0 HB ILE A 127 6.586 4.584 -11.353 1.00 20.44 H new ATOM 0 HG12 ILE A 127 4.876 6.046 -9.300 1.00 12.52 H new ATOM 0 HG13 ILE A 127 4.992 4.308 -9.490 1.00 12.52 H new ATOM 0 HG21 ILE A 127 7.657 6.672 -10.567 1.00 24.40 H new ATOM 0 HG22 ILE A 127 7.111 6.805 -12.256 1.00 24.40 H new ATOM 0 HG23 ILE A 127 6.172 7.573 -10.954 1.00 24.40 H new ATOM 0 HD11 ILE A 127 6.346 5.076 -7.602 1.00 51.44 H new ATOM 0 HD12 ILE A 127 7.383 4.388 -8.874 1.00 51.44 H new ATOM 0 HD13 ILE A 127 7.265 6.153 -8.682 1.00 51.44 H new ATOM 1979 N ASN A 128 5.852 5.014 -14.079 1.00 75.52 N ATOM 1980 CA ASN A 128 6.373 5.339 -15.408 1.00 74.25 C ATOM 1981 C ASN A 128 5.324 5.029 -16.481 1.00 24.04 C ATOM 1982 O ASN A 128 4.505 5.918 -16.789 1.00 14.23 O ATOM 1983 CB ASN A 128 7.675 4.566 -15.693 1.00 3.32 C ATOM 1984 CG ASN A 128 8.764 4.829 -14.664 1.00 1.40 C ATOM 1985 OD1 ASN A 128 9.549 5.767 -14.793 1.00 63.31 O ATOM 1986 ND2 ASN A 128 8.827 3.988 -13.641 1.00 44.52 N ATOM 1987 OXT ASN A 128 5.311 3.894 -17.003 1.00 0.00 O ATOM 0 H ASN A 128 6.097 4.081 -13.747 1.00 75.52 H new ATOM 0 HA ASN A 128 6.598 6.405 -15.434 1.00 74.25 H new ATOM 0 HB2 ASN A 128 7.458 3.498 -15.718 1.00 3.32 H new ATOM 0 HB3 ASN A 128 8.044 4.840 -16.681 1.00 3.32 H new ATOM 0 HD21 ASN A 128 9.545 4.107 -12.926 1.00 44.52 H new ATOM 0 HD22 ASN A 128 8.158 3.222 -13.569 1.00 44.52 H new