USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 720 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 30 SER OG : rot -21:sc= -4.77! USER MOD Set 1.2: A 100 MET CE :methyl -143:sc= -1.02 (180deg=-4.51!) USER MOD Set 1.3: A 105 ASN : amide:sc= 0.0326 K(o=-5.8,f=-6.3) USER MOD Set 2.1: A 53 ASN : amide:sc= -3.6! X(o=-2.3!,f=-2.2) USER MOD Set 2.2: A 103 TYR OH : rot 79:sc= 1.25 USER MOD Set 3.1: A 23 MET CE :methyl 168:sc= -0.209 (180deg=-0.644) USER MOD Set 3.2: A 126 THR OG1 : rot -20:sc= 0.243 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.7) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.64 K(o=1.6,f=-4.9!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= 2.41 (180deg=1.53) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0.803 (180deg=0.748) USER MOD Single : A 77 THR OG1 : rot -172:sc= 1.39 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -145:sc= 0.736 (180deg=-0.342!) USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.1) USER MOD Single : A 95 MET CE :methyl -120:sc= -0.427 (180deg=-3.96!) USER MOD Single : A 106 MET CE :methyl -160:sc= 0 (180deg=-0.717) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00996) USER MOD Single : A 130 THR OG1 : rot 170:sc= -0.022 USER MOD Single : A 133 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.723) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 10.774 0.946 9.031 1.00 30.15 N ATOM 342 CA MET A 23 10.031 1.530 7.909 1.00 2.11 C ATOM 343 C MET A 23 10.964 2.239 6.919 1.00 72.51 C ATOM 344 O MET A 23 12.109 2.565 7.240 1.00 53.22 O ATOM 345 CB MET A 23 8.977 2.525 8.413 1.00 50.12 C ATOM 346 CG MET A 23 9.545 3.657 9.263 1.00 42.14 C ATOM 347 SD MET A 23 8.355 4.987 9.526 1.00 74.22 S ATOM 348 CE MET A 23 6.903 4.054 9.998 1.00 24.11 C ATOM 0 HA MET A 23 9.537 0.707 7.392 1.00 2.11 H new ATOM 0 HB2 MET A 23 8.459 2.954 7.555 1.00 50.12 H new ATOM 0 HB3 MET A 23 8.233 1.984 8.998 1.00 50.12 H new ATOM 0 HG2 MET A 23 9.860 3.260 10.228 1.00 42.14 H new ATOM 0 HG3 MET A 23 10.434 4.060 8.778 1.00 42.14 H new ATOM 0 HE1 MET A 23 6.149 4.732 10.397 1.00 24.11 H new ATOM 0 HE2 MET A 23 6.502 3.538 9.125 1.00 24.11 H new ATOM 0 HE3 MET A 23 7.172 3.322 10.760 1.00 24.11 H new ATOM 358 N LEU A 24 10.457 2.482 5.718 1.00 74.53 N ATOM 359 CA LEU A 24 11.195 3.217 4.689 1.00 70.01 C ATOM 360 C LEU A 24 10.399 4.420 4.187 1.00 52.00 C ATOM 361 O LEU A 24 9.180 4.345 4.004 1.00 65.43 O ATOM 362 CB LEU A 24 11.532 2.287 3.517 1.00 73.31 C ATOM 363 CG LEU A 24 12.707 1.336 3.767 1.00 3.41 C ATOM 364 CD1 LEU A 24 12.635 0.139 2.831 1.00 33.24 C ATOM 365 CD2 LEU A 24 14.034 2.068 3.587 1.00 71.41 C ATOM 0 H LEU A 24 9.528 2.179 5.426 1.00 74.53 H new ATOM 0 HA LEU A 24 12.118 3.585 5.136 1.00 70.01 H new ATOM 0 HB2 LEU A 24 10.649 1.695 3.276 1.00 73.31 H new ATOM 0 HB3 LEU A 24 11.756 2.896 2.641 1.00 73.31 H new ATOM 0 HG LEU A 24 12.644 0.977 4.794 1.00 3.41 H new ATOM 0 HD11 LEU A 24 13.478 -0.525 3.024 1.00 33.24 H new ATOM 0 HD12 LEU A 24 11.703 -0.400 3.000 1.00 33.24 H new ATOM 0 HD13 LEU A 24 12.673 0.483 1.797 1.00 33.24 H new ATOM 0 HD21 LEU A 24 14.858 1.378 3.768 1.00 71.41 H new ATOM 0 HD22 LEU A 24 14.101 2.454 2.570 1.00 71.41 H new ATOM 0 HD23 LEU A 24 14.092 2.896 4.294 1.00 71.41 H new ATOM 377 N GLU A 25 11.093 5.531 3.985 1.00 74.22 N ATOM 378 CA GLU A 25 10.484 6.722 3.388 1.00 61.32 C ATOM 379 C GLU A 25 10.366 6.564 1.874 1.00 13.21 C ATOM 380 O GLU A 25 11.358 6.584 1.142 1.00 21.23 O ATOM 381 CB GLU A 25 11.275 7.979 3.759 1.00 32.12 C ATOM 382 CG GLU A 25 10.861 8.543 5.108 1.00 64.44 C ATOM 383 CD GLU A 25 11.892 9.490 5.703 1.00 64.01 C ATOM 384 OE1 GLU A 25 11.890 10.687 5.347 1.00 30.24 O ATOM 385 OE2 GLU A 25 12.713 9.035 6.530 1.00 32.11 O ATOM 0 H GLU A 25 12.079 5.637 4.224 1.00 74.22 H new ATOM 0 HA GLU A 25 9.477 6.834 3.790 1.00 61.32 H new ATOM 0 HB2 GLU A 25 12.339 7.744 3.777 1.00 32.12 H new ATOM 0 HB3 GLU A 25 11.129 8.738 2.990 1.00 32.12 H new ATOM 0 HG2 GLU A 25 9.913 9.070 4.999 1.00 64.44 H new ATOM 0 HG3 GLU A 25 10.690 7.720 5.802 1.00 64.44 H new ATOM 392 N VAL A 26 9.133 6.400 1.430 1.00 51.22 N ATOM 393 CA VAL A 26 8.836 6.074 0.028 1.00 70.15 C ATOM 394 C VAL A 26 7.731 6.969 -0.544 1.00 63.04 C ATOM 395 O VAL A 26 6.948 7.550 0.200 1.00 53.54 O ATOM 396 CB VAL A 26 8.393 4.593 -0.121 1.00 51.14 C ATOM 397 CG1 VAL A 26 9.500 3.637 0.322 1.00 53.22 C ATOM 398 CG2 VAL A 26 7.107 4.337 0.663 1.00 53.42 C ATOM 0 H VAL A 26 8.306 6.486 2.020 1.00 51.22 H new ATOM 0 HA VAL A 26 9.758 6.244 -0.528 1.00 70.15 H new ATOM 0 HB VAL A 26 8.196 4.405 -1.176 1.00 51.14 H new ATOM 0 HG11 VAL A 26 9.160 2.608 0.206 1.00 53.22 H new ATOM 0 HG12 VAL A 26 10.387 3.798 -0.292 1.00 53.22 H new ATOM 0 HG13 VAL A 26 9.744 3.823 1.368 1.00 53.22 H new ATOM 0 HG21 VAL A 26 6.812 3.294 0.547 1.00 53.42 H new ATOM 0 HG22 VAL A 26 7.276 4.551 1.718 1.00 53.42 H new ATOM 0 HG23 VAL A 26 6.315 4.983 0.284 1.00 53.42 H new ATOM 408 N GLU A 27 7.666 7.076 -1.867 1.00 40.41 N ATOM 409 CA GLU A 27 6.582 7.826 -2.515 1.00 52.44 C ATOM 410 C GLU A 27 5.480 6.879 -3.024 1.00 2.12 C ATOM 411 O GLU A 27 5.718 6.030 -3.880 1.00 13.24 O ATOM 412 CB GLU A 27 7.123 8.687 -3.664 1.00 62.15 C ATOM 413 CG GLU A 27 6.084 9.640 -4.250 1.00 53.43 C ATOM 414 CD GLU A 27 6.666 10.642 -5.236 1.00 71.22 C ATOM 415 OE1 GLU A 27 7.750 11.196 -4.965 1.00 20.15 O ATOM 416 OE2 GLU A 27 6.027 10.902 -6.276 1.00 33.31 O ATOM 0 H GLU A 27 8.340 6.660 -2.510 1.00 40.41 H new ATOM 0 HA GLU A 27 6.143 8.487 -1.768 1.00 52.44 H new ATOM 0 HB2 GLU A 27 7.974 9.266 -3.305 1.00 62.15 H new ATOM 0 HB3 GLU A 27 7.493 8.034 -4.455 1.00 62.15 H new ATOM 0 HG2 GLU A 27 5.310 9.058 -4.750 1.00 53.43 H new ATOM 0 HG3 GLU A 27 5.600 10.181 -3.437 1.00 53.43 H new ATOM 423 N VAL A 28 4.276 7.037 -2.477 1.00 64.44 N ATOM 424 CA VAL A 28 3.126 6.179 -2.799 1.00 13.01 C ATOM 425 C VAL A 28 2.321 6.734 -3.987 1.00 1.23 C ATOM 426 O VAL A 28 1.613 7.734 -3.862 1.00 65.34 O ATOM 427 CB VAL A 28 2.179 6.053 -1.577 1.00 33.01 C ATOM 428 CG1 VAL A 28 1.054 5.061 -1.853 1.00 62.55 C ATOM 429 CG2 VAL A 28 2.959 5.672 -0.320 1.00 20.50 C ATOM 0 H VAL A 28 4.065 7.765 -1.795 1.00 64.44 H new ATOM 0 HA VAL A 28 3.525 5.200 -3.065 1.00 13.01 H new ATOM 0 HB VAL A 28 1.723 7.027 -1.403 1.00 33.01 H new ATOM 0 HG11 VAL A 28 0.406 4.993 -0.979 1.00 62.55 H new ATOM 0 HG12 VAL A 28 0.472 5.400 -2.710 1.00 62.55 H new ATOM 0 HG13 VAL A 28 1.478 4.080 -2.067 1.00 62.55 H new ATOM 0 HG21 VAL A 28 2.273 5.590 0.523 1.00 20.50 H new ATOM 0 HG22 VAL A 28 3.457 4.715 -0.477 1.00 20.50 H new ATOM 0 HG23 VAL A 28 3.704 6.439 -0.108 1.00 20.50 H new ATOM 439 N ILE A 29 2.421 6.077 -5.135 1.00 75.22 N ATOM 440 CA ILE A 29 1.737 6.547 -6.344 1.00 74.04 C ATOM 441 C ILE A 29 0.369 5.876 -6.522 1.00 54.51 C ATOM 442 O ILE A 29 0.180 4.726 -6.136 1.00 42.52 O ATOM 443 CB ILE A 29 2.583 6.280 -7.611 1.00 22.33 C ATOM 444 CG1 ILE A 29 4.081 6.388 -7.294 1.00 32.13 C ATOM 445 CG2 ILE A 29 2.195 7.269 -8.710 1.00 34.02 C ATOM 446 CD1 ILE A 29 4.979 6.061 -8.465 1.00 23.24 C ATOM 0 H ILE A 29 2.964 5.223 -5.260 1.00 75.22 H new ATOM 0 HA ILE A 29 1.597 7.620 -6.216 1.00 74.04 H new ATOM 0 HB ILE A 29 2.384 5.267 -7.960 1.00 22.33 H new ATOM 0 HG12 ILE A 29 4.298 7.400 -6.953 1.00 32.13 H new ATOM 0 HG13 ILE A 29 4.317 5.716 -6.469 1.00 32.13 H new ATOM 0 HG21 ILE A 29 2.794 7.077 -9.600 1.00 34.02 H new ATOM 0 HG22 ILE A 29 1.139 7.150 -8.950 1.00 34.02 H new ATOM 0 HG23 ILE A 29 2.376 8.287 -8.364 1.00 34.02 H new ATOM 0 HD11 ILE A 29 6.022 6.160 -8.163 1.00 23.24 H new ATOM 0 HD12 ILE A 29 4.791 5.039 -8.793 1.00 23.24 H new ATOM 0 HD13 ILE A 29 4.772 6.749 -9.285 1.00 23.24 H new ATOM 458 N SER A 30 -0.579 6.599 -7.118 1.00 51.32 N ATOM 459 CA SER A 30 -1.907 6.042 -7.427 1.00 45.45 C ATOM 460 C SER A 30 -2.097 5.856 -8.937 1.00 21.30 C ATOM 461 O SER A 30 -2.268 6.825 -9.681 1.00 12.52 O ATOM 462 CB SER A 30 -3.019 6.935 -6.864 1.00 15.22 C ATOM 463 OG SER A 30 -2.975 6.963 -5.451 1.00 54.24 O ATOM 0 H SER A 30 -0.457 7.572 -7.399 1.00 51.32 H new ATOM 0 HA SER A 30 -1.968 5.063 -6.951 1.00 45.45 H new ATOM 0 HB2 SER A 30 -2.912 7.947 -7.256 1.00 15.22 H new ATOM 0 HB3 SER A 30 -3.990 6.566 -7.195 1.00 15.22 H new ATOM 0 HG SER A 30 -2.490 6.177 -5.123 1.00 54.24 H new ATOM 469 N GLY A 31 -2.064 4.605 -9.383 1.00 12.54 N ATOM 470 CA GLY A 31 -2.204 4.304 -10.803 1.00 73.52 C ATOM 471 C GLY A 31 -3.655 4.174 -11.247 1.00 34.45 C ATOM 472 O GLY A 31 -4.284 3.136 -11.039 1.00 50.11 O ATOM 0 H GLY A 31 -1.942 3.787 -8.786 1.00 12.54 H new ATOM 0 HA2 GLY A 31 -1.722 5.090 -11.384 1.00 73.52 H new ATOM 0 HA3 GLY A 31 -1.678 3.375 -11.025 1.00 73.52 H new ATOM 711 N GLU A 47 -12.605 -8.427 -9.250 1.00 4.02 N ATOM 712 CA GLU A 47 -11.512 -7.703 -9.910 1.00 53.10 C ATOM 713 C GLU A 47 -11.090 -6.449 -9.128 1.00 31.04 C ATOM 714 O GLU A 47 -9.911 -6.090 -9.106 1.00 34.15 O ATOM 715 CB GLU A 47 -11.911 -7.329 -11.341 1.00 74.22 C ATOM 716 CG GLU A 47 -12.148 -8.536 -12.241 1.00 30.15 C ATOM 717 CD GLU A 47 -10.965 -9.495 -12.263 1.00 45.13 C ATOM 718 OE1 GLU A 47 -9.946 -9.171 -12.905 1.00 71.04 O ATOM 719 OE2 GLU A 47 -11.044 -10.565 -11.622 1.00 42.23 O ATOM 0 HA GLU A 47 -10.651 -8.371 -9.939 1.00 53.10 H new ATOM 0 HB2 GLU A 47 -12.818 -6.725 -11.311 1.00 74.22 H new ATOM 0 HB3 GLU A 47 -11.129 -6.708 -11.778 1.00 74.22 H new ATOM 0 HG2 GLU A 47 -13.036 -9.069 -11.901 1.00 30.15 H new ATOM 0 HG3 GLU A 47 -12.351 -8.193 -13.256 1.00 30.15 H new ATOM 726 N TYR A 48 -12.045 -5.798 -8.467 1.00 12.32 N ATOM 727 CA TYR A 48 -11.736 -4.621 -7.649 1.00 63.45 C ATOM 728 C TYR A 48 -10.980 -5.053 -6.378 1.00 4.52 C ATOM 729 O TYR A 48 -10.200 -4.293 -5.804 1.00 52.34 O ATOM 730 CB TYR A 48 -13.025 -3.862 -7.283 1.00 74.02 C ATOM 731 CG TYR A 48 -12.848 -2.352 -7.216 1.00 65.21 C ATOM 732 CD1 TYR A 48 -12.149 -1.752 -6.176 1.00 32.43 C ATOM 733 CD2 TYR A 48 -13.371 -1.529 -8.209 1.00 1.13 C ATOM 734 CE1 TYR A 48 -11.978 -0.382 -6.129 1.00 72.01 C ATOM 735 CE2 TYR A 48 -13.206 -0.157 -8.165 1.00 11.33 C ATOM 736 CZ TYR A 48 -12.507 0.411 -7.124 1.00 23.10 C ATOM 737 OH TYR A 48 -12.339 1.777 -7.076 1.00 31.41 O ATOM 0 H TYR A 48 -13.031 -6.060 -8.479 1.00 12.32 H new ATOM 0 HA TYR A 48 -11.101 -3.948 -8.225 1.00 63.45 H new ATOM 0 HB2 TYR A 48 -13.795 -4.096 -8.018 1.00 74.02 H new ATOM 0 HB3 TYR A 48 -13.385 -4.220 -6.319 1.00 74.02 H new ATOM 0 HD1 TYR A 48 -11.733 -2.367 -5.392 1.00 32.43 H new ATOM 0 HD2 TYR A 48 -13.916 -1.971 -9.030 1.00 1.13 H new ATOM 0 HE1 TYR A 48 -11.430 0.067 -5.313 1.00 72.01 H new ATOM 0 HE2 TYR A 48 -13.623 0.465 -8.943 1.00 11.33 H new ATOM 0 HH TYR A 48 -12.772 2.187 -7.853 1.00 31.41 H new ATOM 747 N PHE A 49 -11.215 -6.296 -5.963 1.00 25.32 N ATOM 748 CA PHE A 49 -10.513 -6.899 -4.823 1.00 3.32 C ATOM 749 C PHE A 49 -9.217 -7.605 -5.284 1.00 72.25 C ATOM 750 O PHE A 49 -8.455 -8.140 -4.479 1.00 44.43 O ATOM 751 CB PHE A 49 -11.458 -7.886 -4.113 1.00 64.51 C ATOM 752 CG PHE A 49 -10.891 -8.488 -2.850 1.00 71.04 C ATOM 753 CD1 PHE A 49 -10.728 -7.714 -1.708 1.00 4.35 C ATOM 754 CD2 PHE A 49 -10.520 -9.825 -2.805 1.00 64.13 C ATOM 755 CE1 PHE A 49 -10.205 -8.260 -0.552 1.00 64.14 C ATOM 756 CE2 PHE A 49 -9.999 -10.373 -1.649 1.00 62.43 C ATOM 757 CZ PHE A 49 -9.840 -9.591 -0.523 1.00 0.33 C ATOM 0 H PHE A 49 -11.895 -6.915 -6.404 1.00 25.32 H new ATOM 0 HA PHE A 49 -10.224 -6.115 -4.123 1.00 3.32 H new ATOM 0 HB2 PHE A 49 -12.387 -7.371 -3.871 1.00 64.51 H new ATOM 0 HB3 PHE A 49 -11.710 -8.690 -4.804 1.00 64.51 H new ATOM 0 HD1 PHE A 49 -11.014 -6.673 -1.724 1.00 4.35 H new ATOM 0 HD2 PHE A 49 -10.640 -10.443 -3.683 1.00 64.13 H new ATOM 0 HE1 PHE A 49 -10.082 -7.646 0.328 1.00 64.14 H new ATOM 0 HE2 PHE A 49 -9.716 -11.415 -1.626 1.00 62.43 H new ATOM 0 HZ PHE A 49 -9.431 -10.020 0.380 1.00 0.33 H new ATOM 767 N ASN A 50 -8.972 -7.601 -6.593 1.00 21.05 N ATOM 768 CA ASN A 50 -7.747 -8.184 -7.151 1.00 10.20 C ATOM 769 C ASN A 50 -6.711 -7.103 -7.510 1.00 34.54 C ATOM 770 O ASN A 50 -5.526 -7.239 -7.201 1.00 65.45 O ATOM 771 CB ASN A 50 -8.078 -9.022 -8.396 1.00 54.33 C ATOM 772 CG ASN A 50 -8.960 -10.220 -8.080 1.00 51.34 C ATOM 773 OD1 ASN A 50 -8.908 -10.777 -6.989 1.00 75.11 O ATOM 774 ND2 ASN A 50 -9.766 -10.636 -9.037 1.00 23.21 N ATOM 0 H ASN A 50 -9.603 -7.202 -7.288 1.00 21.05 H new ATOM 0 HA ASN A 50 -7.311 -8.825 -6.385 1.00 10.20 H new ATOM 0 HB2 ASN A 50 -8.578 -8.391 -9.131 1.00 54.33 H new ATOM 0 HB3 ASN A 50 -7.151 -9.369 -8.852 1.00 54.33 H new ATOM 0 HD21 ASN A 50 -10.370 -11.443 -8.880 1.00 23.21 H new ATOM 0 HD22 ASN A 50 -9.786 -10.151 -9.934 1.00 23.21 H new ATOM 781 N ALA A 51 -7.166 -6.024 -8.146 1.00 11.45 N ATOM 782 CA ALA A 51 -6.255 -5.000 -8.682 1.00 41.13 C ATOM 783 C ALA A 51 -5.737 -4.024 -7.610 1.00 71.23 C ATOM 784 O ALA A 51 -4.553 -3.995 -7.305 1.00 44.53 O ATOM 785 CB ALA A 51 -6.946 -4.232 -9.803 1.00 4.15 C ATOM 0 H ALA A 51 -8.155 -5.832 -8.305 1.00 11.45 H new ATOM 0 HA ALA A 51 -5.381 -5.525 -9.068 1.00 41.13 H new ATOM 0 HB1 ALA A 51 -6.268 -3.475 -10.197 1.00 4.15 H new ATOM 0 HB2 ALA A 51 -7.222 -4.922 -10.600 1.00 4.15 H new ATOM 0 HB3 ALA A 51 -7.843 -3.749 -9.414 1.00 4.15 H new ATOM 791 N VAL A 52 -6.626 -3.246 -7.004 1.00 33.41 N ATOM 792 CA VAL A 52 -6.204 -2.144 -6.120 1.00 11.13 C ATOM 793 C VAL A 52 -5.788 -2.616 -4.710 1.00 51.14 C ATOM 794 O VAL A 52 -5.771 -1.826 -3.770 1.00 24.21 O ATOM 795 CB VAL A 52 -7.330 -1.088 -5.989 1.00 51.35 C ATOM 796 CG1 VAL A 52 -7.682 -0.503 -7.354 1.00 2.33 C ATOM 797 CG2 VAL A 52 -8.565 -1.690 -5.320 1.00 73.33 C ATOM 0 H VAL A 52 -7.636 -3.349 -7.101 1.00 33.41 H new ATOM 0 HA VAL A 52 -5.325 -1.705 -6.591 1.00 11.13 H new ATOM 0 HB VAL A 52 -6.965 -0.279 -5.356 1.00 51.35 H new ATOM 0 HG11 VAL A 52 -8.475 0.236 -7.240 1.00 2.33 H new ATOM 0 HG12 VAL A 52 -6.801 -0.027 -7.784 1.00 2.33 H new ATOM 0 HG13 VAL A 52 -8.022 -1.300 -8.015 1.00 2.33 H new ATOM 0 HG21 VAL A 52 -9.342 -0.930 -5.239 1.00 73.33 H new ATOM 0 HG22 VAL A 52 -8.933 -2.523 -5.919 1.00 73.33 H new ATOM 0 HG23 VAL A 52 -8.302 -2.047 -4.324 1.00 73.33 H new ATOM 807 N ASN A 53 -5.422 -3.893 -4.570 1.00 55.00 N ATOM 808 CA ASN A 53 -5.165 -4.479 -3.244 1.00 43.42 C ATOM 809 C ASN A 53 -3.672 -4.742 -2.980 1.00 63.22 C ATOM 810 O ASN A 53 -3.319 -5.396 -1.997 1.00 4.21 O ATOM 811 CB ASN A 53 -5.948 -5.790 -3.084 1.00 32.30 C ATOM 812 CG ASN A 53 -7.457 -5.601 -3.146 1.00 14.10 C ATOM 813 OD1 ASN A 53 -8.196 -6.224 -2.402 1.00 44.21 O ATOM 814 ND2 ASN A 53 -7.936 -4.774 -4.054 1.00 3.30 N ATOM 0 H ASN A 53 -5.297 -4.539 -5.349 1.00 55.00 H new ATOM 0 HA ASN A 53 -5.500 -3.744 -2.512 1.00 43.42 H new ATOM 0 HB2 ASN A 53 -5.643 -6.485 -3.867 1.00 32.30 H new ATOM 0 HB3 ASN A 53 -5.685 -6.248 -2.131 1.00 32.30 H new ATOM 0 HD21 ASN A 53 -8.944 -4.645 -4.145 1.00 3.30 H new ATOM 0 HD22 ASN A 53 -7.299 -4.263 -4.665 1.00 3.30 H new ATOM 821 N TYR A 54 -2.790 -4.223 -3.832 1.00 53.41 N ATOM 822 CA TYR A 54 -1.350 -4.476 -3.677 1.00 60.14 C ATOM 823 C TYR A 54 -0.514 -3.199 -3.803 1.00 53.43 C ATOM 824 O TYR A 54 -0.989 -2.159 -4.263 1.00 41.25 O ATOM 825 CB TYR A 54 -0.861 -5.508 -4.713 1.00 3.32 C ATOM 826 CG TYR A 54 -0.902 -5.014 -6.152 1.00 52.24 C ATOM 827 CD1 TYR A 54 0.151 -4.280 -6.697 1.00 70.22 C ATOM 828 CD2 TYR A 54 -1.998 -5.278 -6.963 1.00 71.44 C ATOM 829 CE1 TYR A 54 0.104 -3.824 -8.001 1.00 5.34 C ATOM 830 CE2 TYR A 54 -2.046 -4.828 -8.269 1.00 0.42 C ATOM 831 CZ TYR A 54 -0.997 -4.100 -8.782 1.00 5.14 C ATOM 832 OH TYR A 54 -1.054 -3.644 -10.081 1.00 34.41 O ATOM 0 H TYR A 54 -3.037 -3.633 -4.627 1.00 53.41 H new ATOM 0 HA TYR A 54 -1.214 -4.870 -2.670 1.00 60.14 H new ATOM 0 HB2 TYR A 54 0.162 -5.796 -4.468 1.00 3.32 H new ATOM 0 HB3 TYR A 54 -1.473 -6.406 -4.631 1.00 3.32 H new ATOM 0 HD1 TYR A 54 1.018 -4.064 -6.090 1.00 70.22 H new ATOM 0 HD2 TYR A 54 -2.827 -5.845 -6.566 1.00 71.44 H new ATOM 0 HE1 TYR A 54 0.927 -3.254 -8.406 1.00 5.34 H new ATOM 0 HE2 TYR A 54 -2.905 -5.047 -8.886 1.00 0.42 H new ATOM 0 HH TYR A 54 -1.898 -3.928 -10.490 1.00 34.41 H new ATOM 842 N ALA A 55 0.745 -3.305 -3.396 1.00 11.30 N ATOM 843 CA ALA A 55 1.731 -2.247 -3.595 1.00 63.32 C ATOM 844 C ALA A 55 3.003 -2.826 -4.226 1.00 25.41 C ATOM 845 O ALA A 55 3.473 -3.888 -3.817 1.00 12.44 O ATOM 846 CB ALA A 55 2.059 -1.571 -2.268 1.00 54.41 C ATOM 0 H ALA A 55 1.113 -4.128 -2.918 1.00 11.30 H new ATOM 0 HA ALA A 55 1.313 -1.500 -4.269 1.00 63.32 H new ATOM 0 HB1 ALA A 55 2.795 -0.784 -2.433 1.00 54.41 H new ATOM 0 HB2 ALA A 55 1.152 -1.137 -1.847 1.00 54.41 H new ATOM 0 HB3 ALA A 55 2.464 -2.308 -1.575 1.00 54.41 H new ATOM 852 N GLU A 56 3.544 -2.145 -5.231 1.00 12.23 N ATOM 853 CA GLU A 56 4.788 -2.579 -5.877 1.00 30.00 C ATOM 854 C GLU A 56 6.010 -1.877 -5.263 1.00 33.34 C ATOM 855 O GLU A 56 6.156 -0.659 -5.365 1.00 15.31 O ATOM 856 CB GLU A 56 4.731 -2.323 -7.391 1.00 61.31 C ATOM 857 CG GLU A 56 3.726 -3.207 -8.122 1.00 40.33 C ATOM 858 CD GLU A 56 3.745 -3.008 -9.631 1.00 43.41 C ATOM 859 OE1 GLU A 56 4.693 -3.491 -10.285 1.00 24.33 O ATOM 860 OE2 GLU A 56 2.805 -2.389 -10.171 1.00 41.22 O ATOM 0 H GLU A 56 3.145 -1.290 -5.619 1.00 12.23 H new ATOM 0 HA GLU A 56 4.893 -3.651 -5.707 1.00 30.00 H new ATOM 0 HB2 GLU A 56 4.477 -1.277 -7.565 1.00 61.31 H new ATOM 0 HB3 GLU A 56 5.722 -2.485 -7.816 1.00 61.31 H new ATOM 0 HG2 GLU A 56 3.938 -4.252 -7.896 1.00 40.33 H new ATOM 0 HG3 GLU A 56 2.725 -2.997 -7.746 1.00 40.33 H new ATOM 867 N ILE A 57 6.882 -2.664 -4.632 1.00 52.20 N ATOM 868 CA ILE A 57 8.084 -2.143 -3.970 1.00 53.33 C ATOM 869 C ILE A 57 9.354 -2.550 -4.741 1.00 70.32 C ATOM 870 O ILE A 57 9.376 -3.583 -5.414 1.00 53.52 O ATOM 871 CB ILE A 57 8.191 -2.657 -2.500 1.00 31.13 C ATOM 872 CG1 ILE A 57 6.916 -2.325 -1.689 1.00 73.33 C ATOM 873 CG2 ILE A 57 9.421 -2.074 -1.809 1.00 61.22 C ATOM 874 CD1 ILE A 57 5.772 -3.297 -1.896 1.00 4.14 C ATOM 0 H ILE A 57 6.778 -3.676 -4.564 1.00 52.20 H new ATOM 0 HA ILE A 57 7.999 -1.056 -3.959 1.00 53.33 H new ATOM 0 HB ILE A 57 8.293 -3.741 -2.541 1.00 31.13 H new ATOM 0 HG12 ILE A 57 7.170 -2.302 -0.629 1.00 73.33 H new ATOM 0 HG13 ILE A 57 6.579 -1.324 -1.958 1.00 73.33 H new ATOM 0 HG21 ILE A 57 9.474 -2.446 -0.786 1.00 61.22 H new ATOM 0 HG22 ILE A 57 10.318 -2.372 -2.351 1.00 61.22 H new ATOM 0 HG23 ILE A 57 9.350 -0.986 -1.796 1.00 61.22 H new ATOM 0 HD11 ILE A 57 4.919 -2.990 -1.291 1.00 4.14 H new ATOM 0 HD12 ILE A 57 5.487 -3.304 -2.948 1.00 4.14 H new ATOM 0 HD13 ILE A 57 6.086 -4.297 -1.598 1.00 4.14 H new ATOM 886 N ASN A 58 10.398 -1.723 -4.655 1.00 3.42 N ATOM 887 CA ASN A 58 11.687 -2.012 -5.302 1.00 20.33 C ATOM 888 C ASN A 58 12.434 -3.155 -4.584 1.00 34.41 C ATOM 889 O ASN A 58 12.200 -3.415 -3.405 1.00 55.41 O ATOM 890 CB ASN A 58 12.554 -0.745 -5.317 1.00 42.42 C ATOM 891 CG ASN A 58 13.876 -0.941 -6.036 1.00 35.34 C ATOM 892 OD1 ASN A 58 14.872 -1.351 -5.448 1.00 11.43 O ATOM 893 ND2 ASN A 58 13.898 -0.662 -7.316 1.00 62.44 N ATOM 0 H ASN A 58 10.379 -0.842 -4.141 1.00 3.42 H new ATOM 0 HA ASN A 58 11.490 -2.333 -6.325 1.00 20.33 H new ATOM 0 HB2 ASN A 58 12.001 0.062 -5.798 1.00 42.42 H new ATOM 0 HB3 ASN A 58 12.747 -0.431 -4.291 1.00 42.42 H new ATOM 0 HD21 ASN A 58 14.759 -0.784 -7.850 1.00 62.44 H new ATOM 0 HD22 ASN A 58 13.055 -0.323 -7.779 1.00 62.44 H new ATOM 900 N GLU A 59 13.338 -3.823 -5.305 1.00 55.33 N ATOM 901 CA GLU A 59 14.140 -4.924 -4.743 1.00 4.33 C ATOM 902 C GLU A 59 14.899 -4.491 -3.471 1.00 3.42 C ATOM 903 O GLU A 59 14.879 -5.182 -2.449 1.00 33.40 O ATOM 904 CB GLU A 59 15.137 -5.437 -5.793 1.00 35.11 C ATOM 905 CG GLU A 59 15.919 -6.673 -5.358 1.00 3.33 C ATOM 906 CD GLU A 59 15.039 -7.906 -5.199 1.00 71.13 C ATOM 907 OE1 GLU A 59 14.830 -8.632 -6.192 1.00 32.13 O ATOM 908 OE2 GLU A 59 14.556 -8.167 -4.079 1.00 41.31 O ATOM 0 H GLU A 59 13.537 -3.622 -6.285 1.00 55.33 H new ATOM 0 HA GLU A 59 13.453 -5.723 -4.466 1.00 4.33 H new ATOM 0 HB2 GLU A 59 14.596 -5.667 -6.711 1.00 35.11 H new ATOM 0 HB3 GLU A 59 15.841 -4.639 -6.030 1.00 35.11 H new ATOM 0 HG2 GLU A 59 16.698 -6.881 -6.092 1.00 3.33 H new ATOM 0 HG3 GLU A 59 16.420 -6.466 -4.412 1.00 3.33 H new ATOM 915 N GLU A 60 15.558 -3.337 -3.544 1.00 11.20 N ATOM 916 CA GLU A 60 16.319 -2.790 -2.413 1.00 14.03 C ATOM 917 C GLU A 60 15.450 -2.621 -1.157 1.00 64.10 C ATOM 918 O GLU A 60 15.807 -3.092 -0.070 1.00 5.13 O ATOM 919 CB GLU A 60 16.919 -1.436 -2.806 1.00 35.00 C ATOM 920 CG GLU A 60 18.121 -1.530 -3.741 1.00 13.24 C ATOM 921 CD GLU A 60 19.375 -2.008 -3.027 1.00 43.21 C ATOM 922 OE1 GLU A 60 20.065 -1.166 -2.414 1.00 10.32 O ATOM 923 OE2 GLU A 60 19.671 -3.219 -3.069 1.00 0.23 O ATOM 0 H GLU A 60 15.583 -2.755 -4.381 1.00 11.20 H new ATOM 0 HA GLU A 60 17.110 -3.500 -2.174 1.00 14.03 H new ATOM 0 HB2 GLU A 60 16.147 -0.835 -3.286 1.00 35.00 H new ATOM 0 HB3 GLU A 60 17.218 -0.908 -1.901 1.00 35.00 H new ATOM 0 HG2 GLU A 60 17.889 -2.213 -4.559 1.00 13.24 H new ATOM 0 HG3 GLU A 60 18.309 -0.553 -4.185 1.00 13.24 H new ATOM 930 N ASP A 61 14.323 -1.935 -1.310 1.00 51.02 N ATOM 931 CA ASP A 61 13.396 -1.706 -0.200 1.00 24.42 C ATOM 932 C ASP A 61 12.760 -3.027 0.270 1.00 2.13 C ATOM 933 O ASP A 61 12.539 -3.236 1.466 1.00 53.20 O ATOM 934 CB ASP A 61 12.312 -0.713 -0.630 1.00 5.13 C ATOM 935 CG ASP A 61 12.900 0.573 -1.188 1.00 50.42 C ATOM 936 OD1 ASP A 61 13.134 0.637 -2.411 1.00 35.03 O ATOM 937 OD2 ASP A 61 13.143 1.515 -0.408 1.00 13.14 O ATOM 0 H ASP A 61 14.025 -1.525 -2.195 1.00 51.02 H new ATOM 0 HA ASP A 61 13.953 -1.288 0.638 1.00 24.42 H new ATOM 0 HB2 ASP A 61 11.675 -1.176 -1.384 1.00 5.13 H new ATOM 0 HB3 ASP A 61 11.676 -0.479 0.224 1.00 5.13 H new ATOM 942 N TRP A 62 12.485 -3.914 -0.685 1.00 45.00 N ATOM 943 CA TRP A 62 11.945 -5.251 -0.400 1.00 23.01 C ATOM 944 C TRP A 62 12.852 -6.018 0.581 1.00 71.44 C ATOM 945 O TRP A 62 12.382 -6.588 1.571 1.00 73.24 O ATOM 946 CB TRP A 62 11.812 -6.034 -1.718 1.00 34.55 C ATOM 947 CG TRP A 62 11.199 -7.397 -1.573 1.00 63.53 C ATOM 948 CD1 TRP A 62 11.844 -8.562 -1.267 1.00 41.33 C ATOM 949 CD2 TRP A 62 9.820 -7.736 -1.751 1.00 43.31 C ATOM 950 NE1 TRP A 62 10.947 -9.599 -1.231 1.00 32.34 N ATOM 951 CE2 TRP A 62 9.698 -9.119 -1.524 1.00 74.34 C ATOM 952 CE3 TRP A 62 8.673 -7.001 -2.069 1.00 24.04 C ATOM 953 CZ2 TRP A 62 8.479 -9.780 -1.614 1.00 13.35 C ATOM 954 CZ3 TRP A 62 7.464 -7.662 -2.158 1.00 72.00 C ATOM 955 CH2 TRP A 62 7.374 -9.039 -1.927 1.00 44.04 C ATOM 0 H TRP A 62 12.628 -3.731 -1.678 1.00 45.00 H new ATOM 0 HA TRP A 62 10.966 -5.142 0.066 1.00 23.01 H new ATOM 0 HB2 TRP A 62 11.209 -5.450 -2.413 1.00 34.55 H new ATOM 0 HB3 TRP A 62 12.801 -6.140 -2.165 1.00 34.55 H new ATOM 0 HD1 TRP A 62 12.904 -8.653 -1.081 1.00 41.33 H new ATOM 0 HE1 TRP A 62 11.173 -10.571 -1.020 1.00 32.34 H new ATOM 0 HE3 TRP A 62 8.732 -5.937 -2.242 1.00 24.04 H new ATOM 0 HZ2 TRP A 62 8.407 -10.844 -1.442 1.00 13.35 H new ATOM 0 HZ3 TRP A 62 6.573 -7.107 -2.410 1.00 72.00 H new ATOM 0 HH2 TRP A 62 6.413 -9.526 -1.997 1.00 44.04 H new ATOM 966 N ASN A 63 14.152 -6.028 0.290 1.00 40.44 N ATOM 967 CA ASN A 63 15.144 -6.653 1.174 1.00 4.23 C ATOM 968 C ASN A 63 15.258 -5.894 2.505 1.00 35.34 C ATOM 969 O ASN A 63 15.382 -6.499 3.571 1.00 61.52 O ATOM 970 CB ASN A 63 16.512 -6.709 0.481 1.00 53.24 C ATOM 971 CG ASN A 63 16.499 -7.598 -0.749 1.00 75.35 C ATOM 972 OD1 ASN A 63 15.769 -8.582 -0.814 1.00 73.14 O ATOM 973 ND2 ASN A 63 17.308 -7.265 -1.733 1.00 40.10 N ATOM 0 H ASN A 63 14.547 -5.610 -0.552 1.00 40.44 H new ATOM 0 HA ASN A 63 14.811 -7.668 1.389 1.00 4.23 H new ATOM 0 HB2 ASN A 63 16.813 -5.701 0.195 1.00 53.24 H new ATOM 0 HB3 ASN A 63 17.258 -7.077 1.185 1.00 53.24 H new ATOM 0 HD21 ASN A 63 17.340 -7.832 -2.581 1.00 40.10 H new ATOM 0 HD22 ASN A 63 17.902 -6.441 -1.648 1.00 40.10 H new ATOM 980 N ALA A 64 15.201 -4.564 2.435 1.00 0.34 N ATOM 981 CA ALA A 64 15.290 -3.714 3.630 1.00 2.44 C ATOM 982 C ALA A 64 14.144 -3.987 4.620 1.00 40.12 C ATOM 983 O ALA A 64 14.327 -3.908 5.835 1.00 52.05 O ATOM 984 CB ALA A 64 15.295 -2.244 3.228 1.00 23.14 C ATOM 0 H ALA A 64 15.093 -4.047 1.562 1.00 0.34 H new ATOM 0 HA ALA A 64 16.225 -3.957 4.136 1.00 2.44 H new ATOM 0 HB1 ALA A 64 15.361 -1.623 4.121 1.00 23.14 H new ATOM 0 HB2 ALA A 64 16.152 -2.046 2.584 1.00 23.14 H new ATOM 0 HB3 ALA A 64 14.376 -2.011 2.691 1.00 23.14 H new ATOM 990 N LEU A 65 12.964 -4.295 4.090 1.00 63.30 N ATOM 991 CA LEU A 65 11.786 -4.588 4.923 1.00 71.01 C ATOM 992 C LEU A 65 11.684 -6.084 5.274 1.00 73.30 C ATOM 993 O LEU A 65 10.895 -6.473 6.140 1.00 22.10 O ATOM 994 CB LEU A 65 10.509 -4.135 4.201 1.00 44.22 C ATOM 995 CG LEU A 65 10.424 -2.628 3.900 1.00 70.24 C ATOM 996 CD1 LEU A 65 9.197 -2.311 3.047 1.00 33.33 C ATOM 997 CD2 LEU A 65 10.405 -1.818 5.195 1.00 4.41 C ATOM 0 H LEU A 65 12.791 -4.350 3.086 1.00 63.30 H new ATOM 0 HA LEU A 65 11.899 -4.037 5.856 1.00 71.01 H new ATOM 0 HB2 LEU A 65 10.429 -4.682 3.261 1.00 44.22 H new ATOM 0 HB3 LEU A 65 9.649 -4.417 4.808 1.00 44.22 H new ATOM 0 HG LEU A 65 11.312 -2.346 3.334 1.00 70.24 H new ATOM 0 HD11 LEU A 65 9.159 -1.240 2.848 1.00 33.33 H new ATOM 0 HD12 LEU A 65 9.260 -2.854 2.104 1.00 33.33 H new ATOM 0 HD13 LEU A 65 8.295 -2.613 3.580 1.00 33.33 H new ATOM 0 HD21 LEU A 65 10.345 -0.756 4.959 1.00 4.41 H new ATOM 0 HD22 LEU A 65 9.540 -2.107 5.792 1.00 4.41 H new ATOM 0 HD23 LEU A 65 11.317 -2.013 5.759 1.00 4.41 H new ATOM 1009 N GLY A 66 12.481 -6.919 4.603 1.00 33.40 N ATOM 1010 CA GLY A 66 12.420 -8.363 4.825 1.00 61.21 C ATOM 1011 C GLY A 66 11.061 -8.961 4.461 1.00 41.35 C ATOM 1012 O GLY A 66 10.480 -9.732 5.229 1.00 25.03 O ATOM 0 H GLY A 66 13.168 -6.623 3.910 1.00 33.40 H new ATOM 0 HA2 GLY A 66 13.196 -8.850 4.235 1.00 61.21 H new ATOM 0 HA3 GLY A 66 12.636 -8.575 5.872 1.00 61.21 H new ATOM 1016 N LEU A 67 10.565 -8.610 3.278 1.00 23.21 N ATOM 1017 CA LEU A 67 9.225 -9.017 2.837 1.00 62.11 C ATOM 1018 C LEU A 67 9.225 -10.389 2.151 1.00 65.22 C ATOM 1019 O LEU A 67 10.162 -10.745 1.431 1.00 1.44 O ATOM 1020 CB LEU A 67 8.657 -7.966 1.875 1.00 55.33 C ATOM 1021 CG LEU A 67 8.336 -6.608 2.510 1.00 43.22 C ATOM 1022 CD1 LEU A 67 8.009 -5.571 1.439 1.00 55.44 C ATOM 1023 CD2 LEU A 67 7.179 -6.744 3.490 1.00 51.01 C ATOM 0 H LEU A 67 11.071 -8.041 2.600 1.00 23.21 H new ATOM 0 HA LEU A 67 8.601 -9.095 3.727 1.00 62.11 H new ATOM 0 HB2 LEU A 67 9.372 -7.812 1.067 1.00 55.33 H new ATOM 0 HB3 LEU A 67 7.747 -8.363 1.424 1.00 55.33 H new ATOM 0 HG LEU A 67 9.217 -6.267 3.054 1.00 43.22 H new ATOM 0 HD11 LEU A 67 7.785 -4.616 1.914 1.00 55.44 H new ATOM 0 HD12 LEU A 67 8.864 -5.453 0.773 1.00 55.44 H new ATOM 0 HD13 LEU A 67 7.144 -5.902 0.864 1.00 55.44 H new ATOM 0 HD21 LEU A 67 6.962 -5.772 3.934 1.00 51.01 H new ATOM 0 HD22 LEU A 67 6.297 -7.108 2.963 1.00 51.01 H new ATOM 0 HD23 LEU A 67 7.449 -7.449 4.276 1.00 51.01 H new ATOM 1035 N GLN A 68 8.167 -11.159 2.388 1.00 1.31 N ATOM 1036 CA GLN A 68 7.937 -12.412 1.669 1.00 4.22 C ATOM 1037 C GLN A 68 7.033 -12.159 0.453 1.00 12.34 C ATOM 1038 O GLN A 68 6.200 -11.250 0.467 1.00 31.44 O ATOM 1039 CB GLN A 68 7.291 -13.445 2.606 1.00 35.44 C ATOM 1040 CG GLN A 68 7.129 -14.834 1.992 1.00 22.30 C ATOM 1041 CD GLN A 68 6.455 -15.815 2.937 1.00 12.10 C ATOM 1042 OE1 GLN A 68 5.236 -15.964 2.934 1.00 42.34 O ATOM 1043 NE2 GLN A 68 7.238 -16.492 3.756 1.00 74.32 N ATOM 0 H GLN A 68 7.449 -10.936 3.078 1.00 1.31 H new ATOM 0 HA GLN A 68 8.893 -12.804 1.321 1.00 4.22 H new ATOM 0 HB2 GLN A 68 7.896 -13.528 3.509 1.00 35.44 H new ATOM 0 HB3 GLN A 68 6.311 -13.079 2.911 1.00 35.44 H new ATOM 0 HG2 GLN A 68 6.543 -14.756 1.076 1.00 22.30 H new ATOM 0 HG3 GLN A 68 8.109 -15.220 1.712 1.00 22.30 H new ATOM 0 HE21 GLN A 68 8.247 -16.346 3.734 1.00 74.32 H new ATOM 0 HE22 GLN A 68 6.834 -17.162 4.411 1.00 74.32 H new ATOM 1052 N GLU A 69 7.206 -12.945 -0.605 1.00 63.13 N ATOM 1053 CA GLU A 69 6.390 -12.791 -1.813 1.00 3.00 C ATOM 1054 C GLU A 69 4.906 -13.020 -1.514 1.00 13.00 C ATOM 1055 O GLU A 69 4.439 -14.156 -1.408 1.00 35.52 O ATOM 1056 CB GLU A 69 6.886 -13.728 -2.915 1.00 74.34 C ATOM 1057 CG GLU A 69 8.286 -13.372 -3.392 1.00 41.35 C ATOM 1058 CD GLU A 69 8.828 -14.346 -4.426 1.00 12.45 C ATOM 1059 OE1 GLU A 69 9.184 -15.484 -4.047 1.00 53.32 O ATOM 1060 OE2 GLU A 69 8.915 -13.982 -5.616 1.00 62.15 O ATOM 0 H GLU A 69 7.899 -13.692 -0.655 1.00 63.13 H new ATOM 0 HA GLU A 69 6.494 -11.765 -2.166 1.00 3.00 H new ATOM 0 HB2 GLU A 69 6.881 -14.754 -2.546 1.00 74.34 H new ATOM 0 HB3 GLU A 69 6.197 -13.689 -3.759 1.00 74.34 H new ATOM 0 HG2 GLU A 69 8.274 -12.369 -3.817 1.00 41.35 H new ATOM 0 HG3 GLU A 69 8.960 -13.348 -2.536 1.00 41.35 H new ATOM 1067 N GLY A 70 4.178 -11.918 -1.373 1.00 3.43 N ATOM 1068 CA GLY A 70 2.779 -11.970 -0.961 1.00 74.03 C ATOM 1069 C GLY A 70 2.586 -11.666 0.527 1.00 21.14 C ATOM 1070 O GLY A 70 1.649 -12.169 1.157 1.00 62.52 O ATOM 0 H GLY A 70 4.533 -10.976 -1.538 1.00 3.43 H new ATOM 0 HA2 GLY A 70 2.205 -11.255 -1.550 1.00 74.03 H new ATOM 0 HA3 GLY A 70 2.377 -12.959 -1.180 1.00 74.03 H new ATOM 1074 N ASP A 71 3.481 -10.854 1.095 1.00 14.31 N ATOM 1075 CA ASP A 71 3.380 -10.446 2.505 1.00 52.01 C ATOM 1076 C ASP A 71 2.392 -9.267 2.676 1.00 23.53 C ATOM 1077 O ASP A 71 1.787 -8.803 1.706 1.00 43.45 O ATOM 1078 CB ASP A 71 4.769 -10.058 3.041 1.00 15.43 C ATOM 1079 CG ASP A 71 5.003 -10.531 4.469 1.00 13.43 C ATOM 1080 OD1 ASP A 71 4.201 -10.178 5.358 1.00 24.21 O ATOM 1081 OD2 ASP A 71 5.980 -11.271 4.702 1.00 35.32 O ATOM 0 H ASP A 71 4.285 -10.464 0.603 1.00 14.31 H new ATOM 0 HA ASP A 71 2.998 -11.291 3.078 1.00 52.01 H new ATOM 0 HB2 ASP A 71 5.535 -10.482 2.392 1.00 15.43 H new ATOM 0 HB3 ASP A 71 4.880 -8.974 2.999 1.00 15.43 H new ATOM 1086 N ARG A 72 2.243 -8.784 3.911 1.00 41.01 N ATOM 1087 CA ARG A 72 1.294 -7.708 4.230 1.00 4.24 C ATOM 1088 C ARG A 72 2.029 -6.455 4.740 1.00 1.25 C ATOM 1089 O ARG A 72 2.770 -6.513 5.726 1.00 10.51 O ATOM 1090 CB ARG A 72 0.305 -8.201 5.297 1.00 0.21 C ATOM 1091 CG ARG A 72 -0.296 -9.567 4.979 1.00 1.42 C ATOM 1092 CD ARG A 72 -1.092 -10.139 6.149 1.00 10.11 C ATOM 1093 NE ARG A 72 -0.327 -10.152 7.401 1.00 63.44 N ATOM 1094 CZ ARG A 72 0.753 -10.864 7.616 1.00 21.15 C ATOM 1095 NH1 ARG A 72 1.267 -11.600 6.682 1.00 53.53 N ATOM 1096 NH2 ARG A 72 1.327 -10.828 8.776 1.00 41.35 N ATOM 0 H ARG A 72 2.771 -9.123 4.715 1.00 41.01 H new ATOM 0 HA ARG A 72 0.756 -7.439 3.321 1.00 4.24 H new ATOM 0 HB2 ARG A 72 0.815 -8.251 6.259 1.00 0.21 H new ATOM 0 HB3 ARG A 72 -0.500 -7.473 5.400 1.00 0.21 H new ATOM 0 HG2 ARG A 72 -0.946 -9.481 4.108 1.00 1.42 H new ATOM 0 HG3 ARG A 72 0.503 -10.259 4.713 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -1.999 -9.551 6.288 1.00 10.11 H new ATOM 0 HD3 ARG A 72 -1.405 -11.155 5.908 1.00 10.11 H new ATOM 0 HE ARG A 72 -0.661 -9.562 8.163 1.00 63.44 H new ATOM 0 HH11 ARG A 72 0.831 -11.633 5.760 1.00 53.53 H new ATOM 0 HH12 ARG A 72 2.108 -12.147 6.868 1.00 53.53 H new ATOM 0 HH21 ARG A 72 0.939 -10.247 9.519 1.00 41.35 H new ATOM 0 HH22 ARG A 72 2.167 -11.381 8.947 1.00 41.35 H new ATOM 1110 N VAL A 73 1.818 -5.322 4.073 1.00 75.14 N ATOM 1111 CA VAL A 73 2.486 -4.065 4.444 1.00 51.34 C ATOM 1112 C VAL A 73 1.482 -2.950 4.773 1.00 32.40 C ATOM 1113 O VAL A 73 0.444 -2.818 4.123 1.00 34.31 O ATOM 1114 CB VAL A 73 3.431 -3.570 3.313 1.00 40.11 C ATOM 1115 CG1 VAL A 73 4.568 -4.561 3.091 1.00 23.02 C ATOM 1116 CG2 VAL A 73 2.661 -3.336 2.014 1.00 42.00 C ATOM 0 H VAL A 73 1.191 -5.243 3.272 1.00 75.14 H new ATOM 0 HA VAL A 73 3.070 -4.287 5.338 1.00 51.34 H new ATOM 0 HB VAL A 73 3.858 -2.618 3.626 1.00 40.11 H new ATOM 0 HG11 VAL A 73 5.218 -4.197 2.296 1.00 23.02 H new ATOM 0 HG12 VAL A 73 5.144 -4.666 4.011 1.00 23.02 H new ATOM 0 HG13 VAL A 73 4.156 -5.530 2.808 1.00 23.02 H new ATOM 0 HG21 VAL A 73 3.348 -2.990 1.241 1.00 42.00 H new ATOM 0 HG22 VAL A 73 2.195 -4.268 1.695 1.00 42.00 H new ATOM 0 HG23 VAL A 73 1.891 -2.582 2.178 1.00 42.00 H new ATOM 1126 N LYS A 74 1.794 -2.153 5.794 1.00 41.44 N ATOM 1127 CA LYS A 74 0.979 -0.981 6.129 1.00 41.41 C ATOM 1128 C LYS A 74 1.720 0.321 5.813 1.00 71.13 C ATOM 1129 O LYS A 74 2.848 0.541 6.265 1.00 14.43 O ATOM 1130 CB LYS A 74 0.552 -0.982 7.607 1.00 22.43 C ATOM 1131 CG LYS A 74 -0.072 0.348 8.045 1.00 60.31 C ATOM 1132 CD LYS A 74 -0.696 0.292 9.436 1.00 52.22 C ATOM 1133 CE LYS A 74 -2.041 -0.420 9.427 1.00 44.30 C ATOM 1134 NZ LYS A 74 -2.751 -0.298 10.728 1.00 63.35 N ATOM 0 H LYS A 74 2.601 -2.294 6.402 1.00 41.44 H new ATOM 0 HA LYS A 74 0.083 -1.040 5.511 1.00 41.41 H new ATOM 0 HB2 LYS A 74 -0.164 -1.787 7.773 1.00 22.43 H new ATOM 0 HB3 LYS A 74 1.420 -1.194 8.231 1.00 22.43 H new ATOM 0 HG2 LYS A 74 0.694 1.124 8.029 1.00 60.31 H new ATOM 0 HG3 LYS A 74 -0.835 0.639 7.323 1.00 60.31 H new ATOM 0 HD2 LYS A 74 -0.018 -0.222 10.118 1.00 52.22 H new ATOM 0 HD3 LYS A 74 -0.824 1.305 9.817 1.00 52.22 H new ATOM 0 HE2 LYS A 74 -2.664 -0.005 8.635 1.00 44.30 H new ATOM 0 HE3 LYS A 74 -1.890 -1.474 9.195 1.00 44.30 H new ATOM 0 HZ1 LYS A 74 -3.755 -0.535 10.599 1.00 63.35 H new ATOM 0 HZ2 LYS A 74 -2.327 -0.951 11.417 1.00 63.35 H new ATOM 0 HZ3 LYS A 74 -2.667 0.677 11.079 1.00 63.35 H new ATOM 1148 N VAL A 75 1.073 1.182 5.037 1.00 30.21 N ATOM 1149 CA VAL A 75 1.627 2.498 4.695 1.00 62.35 C ATOM 1150 C VAL A 75 0.989 3.603 5.552 1.00 20.43 C ATOM 1151 O VAL A 75 -0.230 3.651 5.698 1.00 2.02 O ATOM 1152 CB VAL A 75 1.399 2.831 3.197 1.00 44.21 C ATOM 1153 CG1 VAL A 75 2.046 4.167 2.825 1.00 13.44 C ATOM 1154 CG2 VAL A 75 1.920 1.706 2.305 1.00 44.43 C ATOM 0 H VAL A 75 0.158 0.996 4.627 1.00 30.21 H new ATOM 0 HA VAL A 75 2.698 2.456 4.895 1.00 62.35 H new ATOM 0 HB VAL A 75 0.325 2.923 3.034 1.00 44.21 H new ATOM 0 HG11 VAL A 75 1.870 4.375 1.770 1.00 13.44 H new ATOM 0 HG12 VAL A 75 1.610 4.963 3.429 1.00 13.44 H new ATOM 0 HG13 VAL A 75 3.119 4.116 3.011 1.00 13.44 H new ATOM 0 HG21 VAL A 75 1.749 1.962 1.259 1.00 44.43 H new ATOM 0 HG22 VAL A 75 2.988 1.571 2.476 1.00 44.43 H new ATOM 0 HG23 VAL A 75 1.395 0.781 2.542 1.00 44.43 H new ATOM 1164 N LYS A 76 1.820 4.476 6.128 1.00 74.21 N ATOM 1165 CA LYS A 76 1.333 5.651 6.871 1.00 21.45 C ATOM 1166 C LYS A 76 1.814 6.960 6.227 1.00 23.14 C ATOM 1167 O LYS A 76 3.011 7.149 5.986 1.00 64.31 O ATOM 1168 CB LYS A 76 1.781 5.627 8.346 1.00 13.43 C ATOM 1169 CG LYS A 76 1.039 4.621 9.226 1.00 63.21 C ATOM 1170 CD LYS A 76 1.645 3.223 9.163 1.00 4.44 C ATOM 1171 CE LYS A 76 3.059 3.193 9.737 1.00 1.10 C ATOM 1172 NZ LYS A 76 3.516 1.806 10.012 1.00 23.24 N ATOM 0 H LYS A 76 2.836 4.394 6.096 1.00 74.21 H new ATOM 0 HA LYS A 76 0.245 5.606 6.832 1.00 21.45 H new ATOM 0 HB2 LYS A 76 2.847 5.404 8.383 1.00 13.43 H new ATOM 0 HB3 LYS A 76 1.649 6.624 8.767 1.00 13.43 H new ATOM 0 HG2 LYS A 76 1.050 4.971 10.258 1.00 63.21 H new ATOM 0 HG3 LYS A 76 -0.005 4.574 8.916 1.00 63.21 H new ATOM 0 HD2 LYS A 76 1.013 2.528 9.716 1.00 4.44 H new ATOM 0 HD3 LYS A 76 1.665 2.882 8.128 1.00 4.44 H new ATOM 0 HE2 LYS A 76 3.745 3.669 9.037 1.00 1.10 H new ATOM 0 HE3 LYS A 76 3.089 3.775 10.658 1.00 1.10 H new ATOM 0 HZ1 LYS A 76 4.519 1.819 10.288 1.00 23.24 H new ATOM 0 HZ2 LYS A 76 2.950 1.401 10.784 1.00 23.24 H new ATOM 0 HZ3 LYS A 76 3.400 1.226 9.157 1.00 23.24 H new ATOM 1186 N THR A 77 0.870 7.856 5.959 1.00 4.30 N ATOM 1187 CA THR A 77 1.172 9.195 5.432 1.00 55.24 C ATOM 1188 C THR A 77 0.511 10.268 6.301 1.00 45.51 C ATOM 1189 O THR A 77 -0.013 9.969 7.376 1.00 5.00 O ATOM 1190 CB THR A 77 0.668 9.373 3.980 1.00 14.21 C ATOM 1191 OG1 THR A 77 -0.768 9.369 3.955 1.00 23.22 O ATOM 1192 CG2 THR A 77 1.203 8.275 3.064 1.00 32.52 C ATOM 0 H THR A 77 -0.125 7.682 6.098 1.00 4.30 H new ATOM 0 HA THR A 77 2.257 9.302 5.446 1.00 55.24 H new ATOM 0 HB THR A 77 1.038 10.330 3.613 1.00 14.21 H new ATOM 0 HG1 THR A 77 -1.079 9.360 3.026 1.00 23.22 H new ATOM 0 HG21 THR A 77 0.829 8.431 2.052 1.00 32.52 H new ATOM 0 HG22 THR A 77 2.293 8.306 3.057 1.00 32.52 H new ATOM 0 HG23 THR A 77 0.870 7.303 3.428 1.00 32.52 H new ATOM 1200 N GLU A 78 0.540 11.516 5.844 1.00 24.41 N ATOM 1201 CA GLU A 78 -0.130 12.609 6.556 1.00 13.50 C ATOM 1202 C GLU A 78 -1.663 12.517 6.423 1.00 2.11 C ATOM 1203 O GLU A 78 -2.402 13.216 7.121 1.00 24.14 O ATOM 1204 CB GLU A 78 0.355 13.980 6.052 1.00 60.25 C ATOM 1205 CG GLU A 78 0.062 14.265 4.577 1.00 1.41 C ATOM 1206 CD GLU A 78 1.160 13.787 3.633 1.00 2.11 C ATOM 1207 OE1 GLU A 78 1.236 12.575 3.362 1.00 42.35 O ATOM 1208 OE2 GLU A 78 1.955 14.627 3.161 1.00 1.40 O ATOM 0 H GLU A 78 1.017 11.799 4.988 1.00 24.41 H new ATOM 0 HA GLU A 78 0.131 12.509 7.610 1.00 13.50 H new ATOM 0 HB2 GLU A 78 -0.110 14.758 6.657 1.00 60.25 H new ATOM 0 HB3 GLU A 78 1.431 14.051 6.214 1.00 60.25 H new ATOM 0 HG2 GLU A 78 -0.877 13.784 4.302 1.00 1.41 H new ATOM 0 HG3 GLU A 78 -0.079 15.338 4.444 1.00 1.41 H new ATOM 1215 N PHE A 79 -2.136 11.649 5.528 1.00 33.13 N ATOM 1216 CA PHE A 79 -3.576 11.491 5.283 1.00 52.34 C ATOM 1217 C PHE A 79 -4.175 10.322 6.086 1.00 72.15 C ATOM 1218 O PHE A 79 -5.285 10.429 6.618 1.00 2.44 O ATOM 1219 CB PHE A 79 -3.834 11.297 3.784 1.00 3.24 C ATOM 1220 CG PHE A 79 -3.358 12.462 2.952 1.00 15.34 C ATOM 1221 CD1 PHE A 79 -4.072 13.652 2.930 1.00 51.34 C ATOM 1222 CD2 PHE A 79 -2.188 12.379 2.208 1.00 1.21 C ATOM 1223 CE1 PHE A 79 -3.633 14.727 2.183 1.00 12.43 C ATOM 1224 CE2 PHE A 79 -1.746 13.454 1.461 1.00 51.43 C ATOM 1225 CZ PHE A 79 -2.469 14.628 1.449 1.00 34.25 C ATOM 0 H PHE A 79 -1.545 11.043 4.959 1.00 33.13 H new ATOM 0 HA PHE A 79 -4.071 12.401 5.621 1.00 52.34 H new ATOM 0 HB2 PHE A 79 -3.333 10.389 3.449 1.00 3.24 H new ATOM 0 HB3 PHE A 79 -4.902 11.152 3.620 1.00 3.24 H new ATOM 0 HD1 PHE A 79 -4.982 13.738 3.504 1.00 51.34 H new ATOM 0 HD2 PHE A 79 -1.617 11.463 2.213 1.00 1.21 H new ATOM 0 HE1 PHE A 79 -4.201 15.646 2.173 1.00 12.43 H new ATOM 0 HE2 PHE A 79 -0.835 13.375 0.887 1.00 51.43 H new ATOM 0 HZ PHE A 79 -2.125 15.469 0.866 1.00 34.25 H new ATOM 1235 N GLY A 80 -3.448 9.209 6.171 1.00 22.41 N ATOM 1236 CA GLY A 80 -3.933 8.059 6.931 1.00 23.35 C ATOM 1237 C GLY A 80 -3.037 6.827 6.821 1.00 4.33 C ATOM 1238 O GLY A 80 -1.815 6.943 6.693 1.00 44.23 O ATOM 0 H GLY A 80 -2.537 9.080 5.731 1.00 22.41 H new ATOM 0 HA2 GLY A 80 -4.022 8.340 7.980 1.00 23.35 H new ATOM 0 HA3 GLY A 80 -4.934 7.801 6.584 1.00 23.35 H new ATOM 1242 N GLU A 81 -3.651 5.643 6.860 1.00 10.21 N ATOM 1243 CA GLU A 81 -2.912 4.376 6.835 1.00 73.22 C ATOM 1244 C GLU A 81 -3.749 3.245 6.215 1.00 74.53 C ATOM 1245 O GLU A 81 -4.978 3.274 6.260 1.00 23.30 O ATOM 1246 CB GLU A 81 -2.489 3.986 8.260 1.00 25.50 C ATOM 1247 CG GLU A 81 -3.660 3.767 9.212 1.00 33.45 C ATOM 1248 CD GLU A 81 -3.217 3.552 10.650 1.00 62.04 C ATOM 1249 OE1 GLU A 81 -2.701 2.460 10.966 1.00 62.13 O ATOM 1250 OE2 GLU A 81 -3.383 4.474 11.471 1.00 32.22 O ATOM 0 H GLU A 81 -4.664 5.534 6.909 1.00 10.21 H new ATOM 0 HA GLU A 81 -2.027 4.520 6.215 1.00 73.22 H new ATOM 0 HB2 GLU A 81 -1.894 3.074 8.215 1.00 25.50 H new ATOM 0 HB3 GLU A 81 -1.845 4.767 8.664 1.00 25.50 H new ATOM 0 HG2 GLU A 81 -4.326 4.629 9.167 1.00 33.45 H new ATOM 0 HG3 GLU A 81 -4.235 2.902 8.881 1.00 33.45 H new ATOM 1257 N VAL A 82 -3.075 2.247 5.642 1.00 61.13 N ATOM 1258 CA VAL A 82 -3.762 1.104 5.016 1.00 44.23 C ATOM 1259 C VAL A 82 -2.850 -0.136 4.940 1.00 74.11 C ATOM 1260 O VAL A 82 -1.629 -0.011 4.837 1.00 14.40 O ATOM 1261 CB VAL A 82 -4.251 1.464 3.587 1.00 24.11 C ATOM 1262 CG1 VAL A 82 -3.072 1.715 2.646 1.00 22.30 C ATOM 1263 CG2 VAL A 82 -5.179 0.386 3.029 1.00 14.44 C ATOM 0 H VAL A 82 -2.057 2.202 5.596 1.00 61.13 H new ATOM 0 HA VAL A 82 -4.621 0.869 5.645 1.00 44.23 H new ATOM 0 HB VAL A 82 -4.823 2.389 3.659 1.00 24.11 H new ATOM 0 HG11 VAL A 82 -3.446 1.965 1.653 1.00 22.30 H new ATOM 0 HG12 VAL A 82 -2.472 2.542 3.027 1.00 22.30 H new ATOM 0 HG13 VAL A 82 -2.456 0.817 2.587 1.00 22.30 H new ATOM 0 HG21 VAL A 82 -5.504 0.668 2.027 1.00 14.44 H new ATOM 0 HG22 VAL A 82 -4.647 -0.564 2.984 1.00 14.44 H new ATOM 0 HG23 VAL A 82 -6.049 0.284 3.677 1.00 14.44 H new ATOM 1273 N VAL A 83 -3.450 -1.330 5.005 1.00 52.42 N ATOM 1274 CA VAL A 83 -2.701 -2.591 4.869 1.00 33.44 C ATOM 1275 C VAL A 83 -3.005 -3.266 3.520 1.00 53.01 C ATOM 1276 O VAL A 83 -4.155 -3.604 3.237 1.00 13.35 O ATOM 1277 CB VAL A 83 -3.033 -3.594 6.011 1.00 70.40 C ATOM 1278 CG1 VAL A 83 -2.085 -4.792 5.974 1.00 42.53 C ATOM 1279 CG2 VAL A 83 -2.987 -2.916 7.376 1.00 31.34 C ATOM 0 H VAL A 83 -4.452 -1.453 5.151 1.00 52.42 H new ATOM 0 HA VAL A 83 -1.644 -2.330 4.927 1.00 33.44 H new ATOM 0 HB VAL A 83 -4.049 -3.953 5.850 1.00 70.40 H new ATOM 0 HG11 VAL A 83 -2.336 -5.480 6.782 1.00 42.53 H new ATOM 0 HG12 VAL A 83 -2.183 -5.305 5.017 1.00 42.53 H new ATOM 0 HG13 VAL A 83 -1.058 -4.447 6.097 1.00 42.53 H new ATOM 0 HG21 VAL A 83 -3.224 -3.644 8.152 1.00 31.34 H new ATOM 0 HG22 VAL A 83 -1.989 -2.513 7.549 1.00 31.34 H new ATOM 0 HG23 VAL A 83 -3.715 -2.106 7.404 1.00 31.34 H new ATOM 1289 N VAL A 84 -1.975 -3.461 2.694 1.00 52.12 N ATOM 1290 CA VAL A 84 -2.139 -4.075 1.364 1.00 61.42 C ATOM 1291 C VAL A 84 -1.163 -5.247 1.153 1.00 10.51 C ATOM 1292 O VAL A 84 -0.275 -5.489 1.976 1.00 52.44 O ATOM 1293 CB VAL A 84 -1.926 -3.033 0.230 1.00 73.33 C ATOM 1294 CG1 VAL A 84 -2.912 -1.873 0.353 1.00 45.23 C ATOM 1295 CG2 VAL A 84 -0.486 -2.523 0.219 1.00 21.44 C ATOM 0 H VAL A 84 -1.014 -3.204 2.919 1.00 52.12 H new ATOM 0 HA VAL A 84 -3.161 -4.452 1.322 1.00 61.42 H new ATOM 0 HB VAL A 84 -2.115 -3.533 -0.720 1.00 73.33 H new ATOM 0 HG11 VAL A 84 -2.738 -1.161 -0.454 1.00 45.23 H new ATOM 0 HG12 VAL A 84 -3.931 -2.253 0.288 1.00 45.23 H new ATOM 0 HG13 VAL A 84 -2.771 -1.376 1.313 1.00 45.23 H new ATOM 0 HG21 VAL A 84 -0.364 -1.796 -0.583 1.00 21.44 H new ATOM 0 HG22 VAL A 84 -0.260 -2.050 1.175 1.00 21.44 H new ATOM 0 HG23 VAL A 84 0.195 -3.359 0.058 1.00 21.44 H new ATOM 1305 N PHE A 85 -1.339 -5.974 0.046 1.00 23.41 N ATOM 1306 CA PHE A 85 -0.429 -7.070 -0.318 1.00 64.11 C ATOM 1307 C PHE A 85 0.884 -6.534 -0.918 1.00 21.24 C ATOM 1308 O PHE A 85 0.889 -5.546 -1.654 1.00 23.10 O ATOM 1309 CB PHE A 85 -1.100 -8.022 -1.320 1.00 23.33 C ATOM 1310 CG PHE A 85 -2.264 -8.799 -0.754 1.00 4.14 C ATOM 1311 CD1 PHE A 85 -2.049 -9.909 0.054 1.00 54.15 C ATOM 1312 CD2 PHE A 85 -3.572 -8.427 -1.036 1.00 41.11 C ATOM 1313 CE1 PHE A 85 -3.112 -10.628 0.567 1.00 22.32 C ATOM 1314 CE2 PHE A 85 -4.638 -9.144 -0.525 1.00 72.41 C ATOM 1315 CZ PHE A 85 -4.408 -10.246 0.278 1.00 71.21 C ATOM 0 H PHE A 85 -2.102 -5.826 -0.615 1.00 23.41 H new ATOM 0 HA PHE A 85 -0.195 -7.615 0.596 1.00 64.11 H new ATOM 0 HB2 PHE A 85 -1.446 -7.444 -2.177 1.00 23.33 H new ATOM 0 HB3 PHE A 85 -0.354 -8.725 -1.690 1.00 23.33 H new ATOM 0 HD1 PHE A 85 -1.039 -10.214 0.284 1.00 54.15 H new ATOM 0 HD2 PHE A 85 -3.759 -7.567 -1.662 1.00 41.11 H new ATOM 0 HE1 PHE A 85 -2.930 -11.488 1.194 1.00 22.32 H new ATOM 0 HE2 PHE A 85 -5.650 -8.843 -0.753 1.00 72.41 H new ATOM 0 HZ PHE A 85 -5.240 -10.807 0.678 1.00 71.21 H new ATOM 1325 N ALA A 86 1.994 -7.201 -0.610 1.00 54.32 N ATOM 1326 CA ALA A 86 3.317 -6.771 -1.080 1.00 70.43 C ATOM 1327 C ALA A 86 3.726 -7.458 -2.397 1.00 45.24 C ATOM 1328 O ALA A 86 3.764 -8.689 -2.486 1.00 51.25 O ATOM 1329 CB ALA A 86 4.365 -7.033 0.001 1.00 62.40 C ATOM 0 H ALA A 86 2.008 -8.044 -0.036 1.00 54.32 H new ATOM 0 HA ALA A 86 3.258 -5.702 -1.283 1.00 70.43 H new ATOM 0 HB1 ALA A 86 5.344 -6.711 -0.355 1.00 62.40 H new ATOM 0 HB2 ALA A 86 4.106 -6.476 0.902 1.00 62.40 H new ATOM 0 HB3 ALA A 86 4.394 -8.099 0.229 1.00 62.40 H new ATOM 1335 N LYS A 87 4.019 -6.648 -3.419 1.00 60.31 N ATOM 1336 CA LYS A 87 4.573 -7.139 -4.692 1.00 2.21 C ATOM 1337 C LYS A 87 5.891 -6.442 -5.013 1.00 64.11 C ATOM 1338 O LYS A 87 6.173 -5.354 -4.515 1.00 41.51 O ATOM 1339 CB LYS A 87 3.592 -6.918 -5.858 1.00 45.55 C ATOM 1340 CG LYS A 87 2.290 -7.695 -5.761 1.00 74.45 C ATOM 1341 CD LYS A 87 1.532 -7.653 -7.084 1.00 44.24 C ATOM 1342 CE LYS A 87 0.179 -8.336 -6.986 1.00 24.44 C ATOM 1343 NZ LYS A 87 -0.477 -8.472 -8.315 1.00 34.23 N ATOM 0 H LYS A 87 3.881 -5.638 -3.391 1.00 60.31 H new ATOM 0 HA LYS A 87 4.744 -8.209 -4.574 1.00 2.21 H new ATOM 0 HB2 LYS A 87 3.359 -5.855 -5.920 1.00 45.55 H new ATOM 0 HB3 LYS A 87 4.091 -7.190 -6.788 1.00 45.55 H new ATOM 0 HG2 LYS A 87 2.499 -8.730 -5.489 1.00 74.45 H new ATOM 0 HG3 LYS A 87 1.670 -7.276 -4.968 1.00 74.45 H new ATOM 0 HD2 LYS A 87 1.393 -6.616 -7.390 1.00 44.24 H new ATOM 0 HD3 LYS A 87 2.127 -8.137 -7.858 1.00 44.24 H new ATOM 0 HE2 LYS A 87 0.303 -9.323 -6.541 1.00 24.44 H new ATOM 0 HE3 LYS A 87 -0.468 -7.765 -6.320 1.00 24.44 H new ATOM 0 HZ1 LYS A 87 -1.397 -8.943 -8.201 1.00 34.23 H new ATOM 0 HZ2 LYS A 87 -0.620 -7.529 -8.730 1.00 34.23 H new ATOM 0 HZ3 LYS A 87 0.127 -9.039 -8.944 1.00 34.23 H new ATOM 1357 N LYS A 88 6.698 -7.080 -5.845 1.00 55.54 N ATOM 1358 CA LYS A 88 7.985 -6.530 -6.232 1.00 51.32 C ATOM 1359 C LYS A 88 7.906 -5.934 -7.646 1.00 12.42 C ATOM 1360 O LYS A 88 7.841 -6.663 -8.635 1.00 51.53 O ATOM 1361 CB LYS A 88 9.052 -7.623 -6.168 1.00 40.33 C ATOM 1362 CG LYS A 88 10.451 -7.054 -6.153 1.00 71.03 C ATOM 1363 CD LYS A 88 11.525 -8.137 -6.184 1.00 55.30 C ATOM 1364 CE LYS A 88 11.476 -9.037 -4.953 1.00 52.13 C ATOM 1365 NZ LYS A 88 12.593 -10.021 -4.944 1.00 4.50 N ATOM 0 H LYS A 88 6.482 -7.983 -6.267 1.00 55.54 H new ATOM 0 HA LYS A 88 8.256 -5.732 -5.540 1.00 51.32 H new ATOM 0 HB2 LYS A 88 8.898 -8.227 -5.274 1.00 40.33 H new ATOM 0 HB3 LYS A 88 8.941 -8.287 -7.025 1.00 40.33 H new ATOM 0 HG2 LYS A 88 10.580 -6.395 -7.011 1.00 71.03 H new ATOM 0 HG3 LYS A 88 10.581 -6.444 -5.259 1.00 71.03 H new ATOM 0 HD2 LYS A 88 11.400 -8.744 -7.080 1.00 55.30 H new ATOM 0 HD3 LYS A 88 12.507 -7.669 -6.251 1.00 55.30 H new ATOM 0 HE2 LYS A 88 11.524 -8.425 -4.053 1.00 52.13 H new ATOM 0 HE3 LYS A 88 10.524 -9.567 -4.928 1.00 52.13 H new ATOM 0 HZ1 LYS A 88 12.264 -10.915 -4.527 1.00 4.50 H new ATOM 0 HZ2 LYS A 88 12.914 -10.191 -5.919 1.00 4.50 H new ATOM 0 HZ3 LYS A 88 13.382 -9.645 -4.380 1.00 4.50 H new ATOM 1379 N GLY A 89 7.918 -4.605 -7.736 1.00 0.05 N ATOM 1380 CA GLY A 89 7.676 -3.937 -9.016 1.00 74.41 C ATOM 1381 C GLY A 89 8.908 -3.272 -9.615 1.00 62.31 C ATOM 1382 O GLY A 89 10.014 -3.374 -9.083 1.00 25.44 O ATOM 0 H GLY A 89 8.090 -3.976 -6.951 1.00 0.05 H new ATOM 0 HA2 GLY A 89 7.289 -4.667 -9.727 1.00 74.41 H new ATOM 0 HA3 GLY A 89 6.900 -3.183 -8.879 1.00 74.41 H new ATOM 1386 N ASP A 90 8.701 -2.569 -10.731 1.00 11.33 N ATOM 1387 CA ASP A 90 9.787 -1.888 -11.449 1.00 24.21 C ATOM 1388 C ASP A 90 9.977 -0.450 -10.946 1.00 32.20 C ATOM 1389 O ASP A 90 10.610 0.374 -11.610 1.00 74.02 O ATOM 1390 CB ASP A 90 9.480 -1.871 -12.946 1.00 65.32 C ATOM 1391 CG ASP A 90 9.142 -3.250 -13.477 1.00 64.11 C ATOM 1392 OD1 ASP A 90 10.071 -4.052 -13.688 1.00 45.32 O ATOM 1393 OD2 ASP A 90 7.941 -3.537 -13.683 1.00 10.51 O ATOM 0 H ASP A 90 7.784 -2.455 -11.162 1.00 11.33 H new ATOM 0 HA ASP A 90 10.711 -2.436 -11.264 1.00 24.21 H new ATOM 0 HB2 ASP A 90 8.646 -1.196 -13.136 1.00 65.32 H new ATOM 0 HB3 ASP A 90 10.340 -1.476 -13.487 1.00 65.32 H new ATOM 1398 N VAL A 91 9.433 -0.158 -9.772 1.00 22.33 N ATOM 1399 CA VAL A 91 9.505 1.185 -9.192 1.00 24.50 C ATOM 1400 C VAL A 91 10.926 1.514 -8.706 1.00 51.25 C ATOM 1401 O VAL A 91 11.691 0.613 -8.367 1.00 23.42 O ATOM 1402 CB VAL A 91 8.512 1.325 -8.013 1.00 2.40 C ATOM 1403 CG1 VAL A 91 7.073 1.185 -8.503 1.00 62.34 C ATOM 1404 CG2 VAL A 91 8.822 0.293 -6.926 1.00 52.40 C ATOM 0 H VAL A 91 8.933 -0.835 -9.196 1.00 22.33 H new ATOM 0 HA VAL A 91 9.236 1.891 -9.978 1.00 24.50 H new ATOM 0 HB VAL A 91 8.626 2.319 -7.581 1.00 2.40 H new ATOM 0 HG11 VAL A 91 6.390 1.286 -7.660 1.00 62.34 H new ATOM 0 HG12 VAL A 91 6.861 1.963 -9.237 1.00 62.34 H new ATOM 0 HG13 VAL A 91 6.939 0.206 -8.963 1.00 62.34 H new ATOM 0 HG21 VAL A 91 8.114 0.406 -6.105 1.00 52.40 H new ATOM 0 HG22 VAL A 91 8.738 -0.711 -7.343 1.00 52.40 H new ATOM 0 HG23 VAL A 91 9.835 0.448 -6.556 1.00 52.40 H new ATOM 1414 N PRO A 92 11.315 2.805 -8.692 1.00 23.51 N ATOM 1415 CA PRO A 92 12.625 3.231 -8.166 1.00 34.03 C ATOM 1416 C PRO A 92 12.743 3.035 -6.642 1.00 72.33 C ATOM 1417 O PRO A 92 11.738 3.024 -5.931 1.00 31.33 O ATOM 1418 CB PRO A 92 12.693 4.731 -8.522 1.00 30.44 C ATOM 1419 CG PRO A 92 11.608 4.949 -9.528 1.00 32.04 C ATOM 1420 CD PRO A 92 10.536 3.949 -9.197 1.00 21.03 C ATOM 0 HA PRO A 92 13.438 2.642 -8.591 1.00 34.03 H new ATOM 0 HB2 PRO A 92 12.541 5.352 -7.639 1.00 30.44 H new ATOM 0 HB3 PRO A 92 13.668 4.994 -8.932 1.00 30.44 H new ATOM 0 HG2 PRO A 92 11.223 5.967 -9.474 1.00 32.04 H new ATOM 0 HG3 PRO A 92 11.980 4.803 -10.542 1.00 32.04 H new ATOM 0 HD2 PRO A 92 9.842 4.330 -8.448 1.00 21.03 H new ATOM 0 HD3 PRO A 92 9.945 3.683 -10.073 1.00 21.03 H new ATOM 1428 N LYS A 93 13.972 2.879 -6.150 1.00 74.41 N ATOM 1429 CA LYS A 93 14.218 2.713 -4.710 1.00 4.14 C ATOM 1430 C LYS A 93 13.658 3.900 -3.897 1.00 40.32 C ATOM 1431 O LYS A 93 13.825 5.064 -4.281 1.00 13.12 O ATOM 1432 CB LYS A 93 15.724 2.552 -4.451 1.00 24.51 C ATOM 1433 CG LYS A 93 16.076 2.268 -2.993 1.00 4.01 C ATOM 1434 CD LYS A 93 17.575 2.045 -2.804 1.00 64.01 C ATOM 1435 CE LYS A 93 17.911 1.613 -1.380 1.00 72.11 C ATOM 1436 NZ LYS A 93 19.354 1.289 -1.226 1.00 15.43 N ATOM 0 H LYS A 93 14.815 2.864 -6.724 1.00 74.41 H new ATOM 0 HA LYS A 93 13.697 1.814 -4.381 1.00 4.14 H new ATOM 0 HB2 LYS A 93 16.104 1.740 -5.071 1.00 24.51 H new ATOM 0 HB3 LYS A 93 16.236 3.461 -4.767 1.00 24.51 H new ATOM 0 HG2 LYS A 93 15.752 3.103 -2.372 1.00 4.01 H new ATOM 0 HG3 LYS A 93 15.532 1.387 -2.653 1.00 4.01 H new ATOM 0 HD2 LYS A 93 17.920 1.285 -3.505 1.00 64.01 H new ATOM 0 HD3 LYS A 93 18.111 2.964 -3.041 1.00 64.01 H new ATOM 0 HE2 LYS A 93 17.641 2.409 -0.686 1.00 72.11 H new ATOM 0 HE3 LYS A 93 17.313 0.742 -1.114 1.00 72.11 H new ATOM 0 HZ1 LYS A 93 19.591 1.232 -0.215 1.00 15.43 H new ATOM 0 HZ2 LYS A 93 19.555 0.376 -1.681 1.00 15.43 H new ATOM 0 HZ3 LYS A 93 19.927 2.033 -1.674 1.00 15.43 H new ATOM 1450 N GLY A 94 13.014 3.604 -2.765 1.00 21.41 N ATOM 1451 CA GLY A 94 12.341 4.645 -1.993 1.00 31.43 C ATOM 1452 C GLY A 94 11.065 5.161 -2.667 1.00 31.03 C ATOM 1453 O GLY A 94 10.656 6.307 -2.458 1.00 24.44 O ATOM 0 H GLY A 94 12.946 2.666 -2.369 1.00 21.41 H new ATOM 0 HA2 GLY A 94 12.091 4.254 -1.007 1.00 31.43 H new ATOM 0 HA3 GLY A 94 13.027 5.478 -1.841 1.00 31.43 H new ATOM 1457 N MET A 95 10.433 4.320 -3.481 1.00 63.43 N ATOM 1458 CA MET A 95 9.206 4.689 -4.182 1.00 20.44 C ATOM 1459 C MET A 95 8.338 3.443 -4.422 1.00 61.34 C ATOM 1460 O MET A 95 8.854 2.386 -4.774 1.00 44.31 O ATOM 1461 CB MET A 95 9.579 5.357 -5.513 1.00 52.44 C ATOM 1462 CG MET A 95 8.475 6.200 -6.124 1.00 23.22 C ATOM 1463 SD MET A 95 9.001 7.022 -7.644 1.00 64.34 S ATOM 1464 CE MET A 95 7.684 8.216 -7.876 1.00 4.15 C ATOM 0 H MET A 95 10.753 3.371 -3.673 1.00 63.43 H new ATOM 0 HA MET A 95 8.629 5.388 -3.577 1.00 20.44 H new ATOM 0 HB2 MET A 95 10.455 5.986 -5.356 1.00 52.44 H new ATOM 0 HB3 MET A 95 9.865 4.584 -6.226 1.00 52.44 H new ATOM 0 HG2 MET A 95 7.613 5.568 -6.335 1.00 23.22 H new ATOM 0 HG3 MET A 95 8.151 6.949 -5.402 1.00 23.22 H new ATOM 0 HE1 MET A 95 7.190 8.032 -8.830 1.00 4.15 H new ATOM 0 HE2 MET A 95 6.959 8.120 -7.068 1.00 4.15 H new ATOM 0 HE3 MET A 95 8.101 9.223 -7.871 1.00 4.15 H new ATOM 1474 N ILE A 96 7.022 3.552 -4.214 1.00 4.24 N ATOM 1475 CA ILE A 96 6.121 2.399 -4.390 1.00 23.35 C ATOM 1476 C ILE A 96 4.866 2.762 -5.200 1.00 52.43 C ATOM 1477 O ILE A 96 4.331 3.865 -5.092 1.00 25.33 O ATOM 1478 CB ILE A 96 5.691 1.778 -3.032 1.00 22.43 C ATOM 1479 CG1 ILE A 96 4.899 2.788 -2.182 1.00 10.32 C ATOM 1480 CG2 ILE A 96 6.912 1.267 -2.263 1.00 33.24 C ATOM 1481 CD1 ILE A 96 4.396 2.213 -0.871 1.00 54.23 C ATOM 0 H ILE A 96 6.557 4.414 -3.927 1.00 4.24 H new ATOM 0 HA ILE A 96 6.697 1.660 -4.947 1.00 23.35 H new ATOM 0 HB ILE A 96 5.036 0.933 -3.243 1.00 22.43 H new ATOM 0 HG12 ILE A 96 5.532 3.650 -1.972 1.00 10.32 H new ATOM 0 HG13 ILE A 96 4.049 3.150 -2.761 1.00 10.32 H new ATOM 0 HG21 ILE A 96 6.591 0.836 -1.315 1.00 33.24 H new ATOM 0 HG22 ILE A 96 7.422 0.506 -2.854 1.00 33.24 H new ATOM 0 HG23 ILE A 96 7.594 2.095 -2.072 1.00 33.24 H new ATOM 0 HD11 ILE A 96 3.847 2.980 -0.324 1.00 54.23 H new ATOM 0 HD12 ILE A 96 3.736 1.369 -1.073 1.00 54.23 H new ATOM 0 HD13 ILE A 96 5.243 1.877 -0.273 1.00 54.23 H new ATOM 1493 N PHE A 97 4.398 1.813 -6.005 1.00 34.43 N ATOM 1494 CA PHE A 97 3.225 2.024 -6.864 1.00 33.11 C ATOM 1495 C PHE A 97 1.988 1.289 -6.318 1.00 44.05 C ATOM 1496 O PHE A 97 2.038 0.087 -6.056 1.00 3.52 O ATOM 1497 CB PHE A 97 3.533 1.533 -8.288 1.00 14.22 C ATOM 1498 CG PHE A 97 2.382 1.670 -9.256 1.00 43.43 C ATOM 1499 CD1 PHE A 97 2.217 2.831 -9.998 1.00 1.33 C ATOM 1500 CD2 PHE A 97 1.470 0.635 -9.427 1.00 72.33 C ATOM 1501 CE1 PHE A 97 1.169 2.957 -10.888 1.00 51.35 C ATOM 1502 CE2 PHE A 97 0.423 0.757 -10.316 1.00 20.15 C ATOM 1503 CZ PHE A 97 0.271 1.918 -11.047 1.00 20.04 C ATOM 0 H PHE A 97 4.812 0.884 -6.084 1.00 34.43 H new ATOM 0 HA PHE A 97 3.004 3.091 -6.879 1.00 33.11 H new ATOM 0 HB2 PHE A 97 4.386 2.090 -8.675 1.00 14.22 H new ATOM 0 HB3 PHE A 97 3.831 0.485 -8.242 1.00 14.22 H new ATOM 0 HD1 PHE A 97 2.916 3.645 -9.878 1.00 1.33 H new ATOM 0 HD2 PHE A 97 1.583 -0.275 -8.857 1.00 72.33 H new ATOM 0 HE1 PHE A 97 1.051 3.866 -11.459 1.00 51.35 H new ATOM 0 HE2 PHE A 97 -0.278 -0.055 -10.440 1.00 20.15 H new ATOM 0 HZ PHE A 97 -0.549 2.015 -11.743 1.00 20.04 H new ATOM 1513 N ILE A 98 0.883 2.014 -6.154 1.00 60.20 N ATOM 1514 CA ILE A 98 -0.400 1.414 -5.757 1.00 42.13 C ATOM 1515 C ILE A 98 -1.516 1.824 -6.738 1.00 73.31 C ATOM 1516 O ILE A 98 -1.688 3.007 -7.031 1.00 3.03 O ATOM 1517 CB ILE A 98 -0.809 1.833 -4.315 1.00 54.04 C ATOM 1518 CG1 ILE A 98 0.251 1.372 -3.298 1.00 12.44 C ATOM 1519 CG2 ILE A 98 -2.184 1.270 -3.951 1.00 11.25 C ATOM 1520 CD1 ILE A 98 -0.107 1.660 -1.852 1.00 31.54 C ATOM 0 H ILE A 98 0.846 3.024 -6.290 1.00 60.20 H new ATOM 0 HA ILE A 98 -0.269 0.332 -5.780 1.00 42.13 H new ATOM 0 HB ILE A 98 -0.870 2.921 -4.282 1.00 54.04 H new ATOM 0 HG12 ILE A 98 0.408 0.300 -3.415 1.00 12.44 H new ATOM 0 HG13 ILE A 98 1.198 1.860 -3.530 1.00 12.44 H new ATOM 0 HG21 ILE A 98 -2.447 1.577 -2.939 1.00 11.25 H new ATOM 0 HG22 ILE A 98 -2.929 1.649 -4.650 1.00 11.25 H new ATOM 0 HG23 ILE A 98 -2.157 0.182 -4.005 1.00 11.25 H new ATOM 0 HD11 ILE A 98 0.692 1.304 -1.202 1.00 31.54 H new ATOM 0 HD12 ILE A 98 -0.234 2.734 -1.716 1.00 31.54 H new ATOM 0 HD13 ILE A 98 -1.036 1.149 -1.599 1.00 31.54 H new ATOM 1532 N PRO A 99 -2.279 0.858 -7.283 1.00 44.41 N ATOM 1533 CA PRO A 99 -3.410 1.162 -8.181 1.00 32.42 C ATOM 1534 C PRO A 99 -4.465 2.077 -7.522 1.00 5.23 C ATOM 1535 O PRO A 99 -4.753 1.959 -6.328 1.00 12.44 O ATOM 1536 CB PRO A 99 -4.003 -0.222 -8.497 1.00 44.14 C ATOM 1537 CG PRO A 99 -2.893 -1.183 -8.229 1.00 51.41 C ATOM 1538 CD PRO A 99 -2.105 -0.594 -7.090 1.00 43.21 C ATOM 0 HA PRO A 99 -3.087 1.709 -9.067 1.00 32.42 H new ATOM 0 HB2 PRO A 99 -4.869 -0.434 -7.870 1.00 44.14 H new ATOM 0 HB3 PRO A 99 -4.337 -0.282 -9.533 1.00 44.14 H new ATOM 0 HG2 PRO A 99 -3.283 -2.167 -7.967 1.00 51.41 H new ATOM 0 HG3 PRO A 99 -2.267 -1.313 -9.112 1.00 51.41 H new ATOM 0 HD2 PRO A 99 -2.487 -0.921 -6.123 1.00 43.21 H new ATOM 0 HD3 PRO A 99 -1.055 -0.884 -7.133 1.00 43.21 H new ATOM 1546 N MET A 100 -5.038 2.984 -8.313 1.00 10.55 N ATOM 1547 CA MET A 100 -6.029 3.947 -7.813 1.00 10.13 C ATOM 1548 C MET A 100 -7.250 3.234 -7.208 1.00 20.23 C ATOM 1549 O MET A 100 -8.105 2.719 -7.928 1.00 72.12 O ATOM 1550 CB MET A 100 -6.471 4.880 -8.952 1.00 71.12 C ATOM 1551 CG MET A 100 -7.514 5.933 -8.566 1.00 13.33 C ATOM 1552 SD MET A 100 -6.854 7.261 -7.526 1.00 31.13 S ATOM 1553 CE MET A 100 -6.927 6.533 -5.891 1.00 23.21 C ATOM 0 H MET A 100 -4.834 3.075 -9.308 1.00 10.55 H new ATOM 0 HA MET A 100 -5.562 4.535 -7.023 1.00 10.13 H new ATOM 0 HB2 MET A 100 -5.591 5.390 -9.344 1.00 71.12 H new ATOM 0 HB3 MET A 100 -6.874 4.272 -9.762 1.00 71.12 H new ATOM 0 HG2 MET A 100 -7.932 6.368 -9.474 1.00 13.33 H new ATOM 0 HG3 MET A 100 -8.334 5.444 -8.040 1.00 13.33 H new ATOM 0 HE1 MET A 100 -7.200 7.298 -5.164 1.00 23.21 H new ATOM 0 HE2 MET A 100 -7.673 5.739 -5.879 1.00 23.21 H new ATOM 0 HE3 MET A 100 -5.952 6.119 -5.633 1.00 23.21 H new ATOM 1563 N GLY A 101 -7.320 3.204 -5.881 1.00 12.43 N ATOM 1564 CA GLY A 101 -8.433 2.538 -5.208 1.00 71.33 C ATOM 1565 C GLY A 101 -8.606 2.987 -3.765 1.00 62.14 C ATOM 1566 O GLY A 101 -7.858 3.841 -3.292 1.00 2.13 O ATOM 0 H GLY A 101 -6.632 3.625 -5.257 1.00 12.43 H new ATOM 0 HA2 GLY A 101 -9.354 2.735 -5.757 1.00 71.33 H new ATOM 0 HA3 GLY A 101 -8.272 1.460 -5.231 1.00 71.33 H new ATOM 1570 N PRO A 102 -9.577 2.414 -3.026 1.00 72.33 N ATOM 1571 CA PRO A 102 -9.854 2.805 -1.628 1.00 72.14 C ATOM 1572 C PRO A 102 -8.617 2.645 -0.739 1.00 35.20 C ATOM 1573 O PRO A 102 -8.383 3.437 0.169 1.00 33.22 O ATOM 1574 CB PRO A 102 -10.976 1.843 -1.195 1.00 72.20 C ATOM 1575 CG PRO A 102 -10.918 0.717 -2.174 1.00 4.14 C ATOM 1576 CD PRO A 102 -10.459 1.325 -3.472 1.00 65.32 C ATOM 0 HA PRO A 102 -10.135 3.854 -1.539 1.00 72.14 H new ATOM 0 HB2 PRO A 102 -10.821 1.489 -0.176 1.00 72.20 H new ATOM 0 HB3 PRO A 102 -11.948 2.335 -1.217 1.00 72.20 H new ATOM 0 HG2 PRO A 102 -10.228 -0.057 -1.839 1.00 4.14 H new ATOM 0 HG3 PRO A 102 -11.895 0.246 -2.287 1.00 4.14 H new ATOM 0 HD2 PRO A 102 -9.928 0.603 -4.092 1.00 65.32 H new ATOM 0 HD3 PRO A 102 -11.296 1.698 -4.063 1.00 65.32 H new ATOM 1584 N TYR A 103 -7.815 1.622 -1.035 1.00 32.50 N ATOM 1585 CA TYR A 103 -6.552 1.393 -0.331 1.00 50.23 C ATOM 1586 C TYR A 103 -5.629 2.612 -0.477 1.00 73.20 C ATOM 1587 O TYR A 103 -5.099 3.132 0.503 1.00 3.31 O ATOM 1588 CB TYR A 103 -5.864 0.135 -0.884 1.00 63.04 C ATOM 1589 CG TYR A 103 -6.699 -1.132 -0.752 1.00 0.31 C ATOM 1590 CD1 TYR A 103 -7.811 -1.346 -1.563 1.00 32.42 C ATOM 1591 CD2 TYR A 103 -6.377 -2.109 0.182 1.00 63.52 C ATOM 1592 CE1 TYR A 103 -8.573 -2.493 -1.444 1.00 21.14 C ATOM 1593 CE2 TYR A 103 -7.134 -3.257 0.304 1.00 12.03 C ATOM 1594 CZ TYR A 103 -8.232 -3.444 -0.510 1.00 50.12 C ATOM 1595 OH TYR A 103 -8.992 -4.587 -0.385 1.00 51.13 O ATOM 0 H TYR A 103 -8.019 0.935 -1.761 1.00 32.50 H new ATOM 0 HA TYR A 103 -6.762 1.244 0.728 1.00 50.23 H new ATOM 0 HB2 TYR A 103 -5.627 0.295 -1.936 1.00 63.04 H new ATOM 0 HB3 TYR A 103 -4.918 -0.009 -0.363 1.00 63.04 H new ATOM 0 HD1 TYR A 103 -8.083 -0.603 -2.298 1.00 32.42 H new ATOM 0 HD2 TYR A 103 -5.520 -1.968 0.824 1.00 63.52 H new ATOM 0 HE1 TYR A 103 -9.432 -2.642 -2.081 1.00 21.14 H new ATOM 0 HE2 TYR A 103 -6.867 -4.006 1.035 1.00 12.03 H new ATOM 0 HH TYR A 103 -8.760 -5.214 -1.101 1.00 51.13 H new ATOM 1605 N ALA A 104 -5.468 3.073 -1.715 1.00 3.32 N ATOM 1606 CA ALA A 104 -4.680 4.273 -2.000 1.00 64.54 C ATOM 1607 C ALA A 104 -5.296 5.524 -1.346 1.00 72.34 C ATOM 1608 O ALA A 104 -4.589 6.339 -0.759 1.00 22.51 O ATOM 1609 CB ALA A 104 -4.546 4.466 -3.510 1.00 53.13 C ATOM 0 H ALA A 104 -5.874 2.633 -2.541 1.00 3.32 H new ATOM 0 HA ALA A 104 -3.688 4.135 -1.570 1.00 64.54 H new ATOM 0 HB1 ALA A 104 -3.958 5.361 -3.712 1.00 53.13 H new ATOM 0 HB2 ALA A 104 -4.048 3.599 -3.945 1.00 53.13 H new ATOM 0 HB3 ALA A 104 -5.536 4.575 -3.952 1.00 53.13 H new ATOM 1615 N ASN A 105 -6.625 5.655 -1.422 1.00 72.41 N ATOM 1616 CA ASN A 105 -7.330 6.813 -0.838 1.00 22.41 C ATOM 1617 C ASN A 105 -7.143 6.914 0.689 1.00 3.21 C ATOM 1618 O ASN A 105 -7.568 7.888 1.310 1.00 23.13 O ATOM 1619 CB ASN A 105 -8.827 6.765 -1.175 1.00 65.44 C ATOM 1620 CG ASN A 105 -9.115 7.140 -2.619 1.00 64.04 C ATOM 1621 OD1 ASN A 105 -9.247 8.307 -2.955 1.00 11.02 O ATOM 1622 ND2 ASN A 105 -9.238 6.154 -3.481 1.00 34.32 N ATOM 0 H ASN A 105 -7.237 4.979 -1.879 1.00 72.41 H new ATOM 0 HA ASN A 105 -6.884 7.702 -1.283 1.00 22.41 H new ATOM 0 HB2 ASN A 105 -9.207 5.762 -0.982 1.00 65.44 H new ATOM 0 HB3 ASN A 105 -9.366 7.443 -0.513 1.00 65.44 H new ATOM 0 HD21 ASN A 105 -9.449 6.355 -4.459 1.00 34.32 H new ATOM 0 HD22 ASN A 105 -9.122 5.189 -3.172 1.00 34.32 H new ATOM 1629 N MET A 106 -6.527 5.900 1.292 1.00 4.25 N ATOM 1630 CA MET A 106 -6.218 5.922 2.726 1.00 74.40 C ATOM 1631 C MET A 106 -4.901 6.659 3.008 1.00 34.22 C ATOM 1632 O MET A 106 -4.656 7.103 4.128 1.00 62.13 O ATOM 1633 CB MET A 106 -6.124 4.488 3.258 1.00 30.31 C ATOM 1634 CG MET A 106 -7.412 3.698 3.105 1.00 70.53 C ATOM 1635 SD MET A 106 -8.714 4.273 4.212 1.00 11.11 S ATOM 1636 CE MET A 106 -8.157 3.585 5.770 1.00 31.45 C ATOM 0 H MET A 106 -6.230 5.050 0.812 1.00 4.25 H new ATOM 0 HA MET A 106 -7.022 6.456 3.233 1.00 74.40 H new ATOM 0 HB2 MET A 106 -5.323 3.967 2.734 1.00 30.31 H new ATOM 0 HB3 MET A 106 -5.849 4.518 4.312 1.00 30.31 H new ATOM 0 HG2 MET A 106 -7.758 3.771 2.074 1.00 70.53 H new ATOM 0 HG3 MET A 106 -7.213 2.644 3.301 1.00 70.53 H new ATOM 0 HE1 MET A 106 -8.994 3.536 6.466 1.00 31.45 H new ATOM 0 HE2 MET A 106 -7.764 2.582 5.605 1.00 31.45 H new ATOM 0 HE3 MET A 106 -7.374 4.218 6.188 1.00 31.45 H new ATOM 1646 N VAL A 107 -4.055 6.787 1.986 1.00 21.45 N ATOM 1647 CA VAL A 107 -2.708 7.348 2.164 1.00 23.13 C ATOM 1648 C VAL A 107 -2.367 8.446 1.142 1.00 52.32 C ATOM 1649 O VAL A 107 -1.374 9.155 1.299 1.00 32.31 O ATOM 1650 CB VAL A 107 -1.629 6.236 2.085 1.00 34.42 C ATOM 1651 CG1 VAL A 107 -1.761 5.264 3.255 1.00 63.24 C ATOM 1652 CG2 VAL A 107 -1.709 5.493 0.752 1.00 32.03 C ATOM 0 H VAL A 107 -4.274 6.512 1.028 1.00 21.45 H new ATOM 0 HA VAL A 107 -2.709 7.803 3.154 1.00 23.13 H new ATOM 0 HB VAL A 107 -0.651 6.712 2.150 1.00 34.42 H new ATOM 0 HG11 VAL A 107 -0.993 4.494 3.177 1.00 63.24 H new ATOM 0 HG12 VAL A 107 -1.638 5.805 4.193 1.00 63.24 H new ATOM 0 HG13 VAL A 107 -2.746 4.798 3.232 1.00 63.24 H new ATOM 0 HG21 VAL A 107 -0.943 4.718 0.721 1.00 32.03 H new ATOM 0 HG22 VAL A 107 -2.693 5.035 0.649 1.00 32.03 H new ATOM 0 HG23 VAL A 107 -1.549 6.195 -0.066 1.00 32.03 H new ATOM 1662 N ILE A 108 -3.173 8.595 0.098 1.00 70.11 N ATOM 1663 CA ILE A 108 -2.887 9.593 -0.940 1.00 11.12 C ATOM 1664 C ILE A 108 -3.663 10.906 -0.717 1.00 4.22 C ATOM 1665 O ILE A 108 -4.410 11.052 0.252 1.00 55.03 O ATOM 1666 CB ILE A 108 -3.194 9.062 -2.358 1.00 32.32 C ATOM 1667 CG1 ILE A 108 -4.702 9.032 -2.625 1.00 51.14 C ATOM 1668 CG2 ILE A 108 -2.583 7.673 -2.564 1.00 63.53 C ATOM 1669 CD1 ILE A 108 -5.025 8.954 -4.089 1.00 33.31 C ATOM 0 H ILE A 108 -4.020 8.048 -0.057 1.00 70.11 H new ATOM 0 HA ILE A 108 -1.819 9.797 -0.861 1.00 11.12 H new ATOM 0 HB ILE A 108 -2.739 9.747 -3.074 1.00 32.32 H new ATOM 0 HG12 ILE A 108 -5.141 8.176 -2.113 1.00 51.14 H new ATOM 0 HG13 ILE A 108 -5.160 9.926 -2.202 1.00 51.14 H new ATOM 0 HG21 ILE A 108 -2.812 7.320 -3.569 1.00 63.53 H new ATOM 0 HG22 ILE A 108 -1.502 7.729 -2.437 1.00 63.53 H new ATOM 0 HG23 ILE A 108 -2.999 6.980 -1.833 1.00 63.53 H new ATOM 0 HD11 ILE A 108 -6.107 8.935 -4.222 1.00 33.31 H new ATOM 0 HD12 ILE A 108 -4.611 9.824 -4.600 1.00 33.31 H new ATOM 0 HD13 ILE A 108 -4.592 8.046 -4.509 1.00 33.31 H new ATOM 1681 N ASP A 109 -3.473 11.861 -1.631 1.00 33.11 N ATOM 1682 CA ASP A 109 -4.149 13.159 -1.567 1.00 2.31 C ATOM 1683 C ASP A 109 -5.472 13.137 -2.361 1.00 74.55 C ATOM 1684 O ASP A 109 -5.466 13.109 -3.592 1.00 3.13 O ATOM 1685 CB ASP A 109 -3.218 14.251 -2.110 1.00 45.53 C ATOM 1686 CG ASP A 109 -3.855 15.630 -2.083 1.00 14.12 C ATOM 1687 OD1 ASP A 109 -3.713 16.339 -1.063 1.00 63.20 O ATOM 1688 OD2 ASP A 109 -4.501 16.014 -3.081 1.00 75.12 O ATOM 0 H ASP A 109 -2.850 11.757 -2.432 1.00 33.11 H new ATOM 0 HA ASP A 109 -4.390 13.374 -0.526 1.00 2.31 H new ATOM 0 HB2 ASP A 109 -2.301 14.267 -1.521 1.00 45.53 H new ATOM 0 HB3 ASP A 109 -2.935 14.006 -3.134 1.00 45.53 H new ATOM 1862 N GLY A 122 3.319 10.732 -7.247 1.00 50.44 N ATOM 1863 CA GLY A 122 2.522 10.155 -6.170 1.00 61.53 C ATOM 1864 C GLY A 122 2.681 10.889 -4.840 1.00 35.51 C ATOM 1865 O GLY A 122 3.415 11.876 -4.746 1.00 3.41 O ATOM 0 HA2 GLY A 122 1.471 10.166 -6.459 1.00 61.53 H new ATOM 0 HA3 GLY A 122 2.805 9.111 -6.037 1.00 61.53 H new ATOM 1869 N VAL A 123 1.984 10.406 -3.812 1.00 53.24 N ATOM 1870 CA VAL A 123 2.053 11.000 -2.462 1.00 24.11 C ATOM 1871 C VAL A 123 3.093 10.292 -1.575 1.00 1.11 C ATOM 1872 O VAL A 123 3.014 9.088 -1.354 1.00 32.13 O ATOM 1873 CB VAL A 123 0.675 10.950 -1.758 1.00 53.53 C ATOM 1874 CG1 VAL A 123 0.757 11.510 -0.334 1.00 0.50 C ATOM 1875 CG2 VAL A 123 -0.369 11.697 -2.584 1.00 42.00 C ATOM 0 H VAL A 123 1.360 9.602 -3.881 1.00 53.24 H new ATOM 0 HA VAL A 123 2.356 12.038 -2.597 1.00 24.11 H new ATOM 0 HB VAL A 123 0.370 9.907 -1.680 1.00 53.53 H new ATOM 0 HG11 VAL A 123 -0.226 11.461 0.133 1.00 0.50 H new ATOM 0 HG12 VAL A 123 1.465 10.921 0.248 1.00 0.50 H new ATOM 0 HG13 VAL A 123 1.091 12.547 -0.370 1.00 0.50 H new ATOM 0 HG21 VAL A 123 -1.333 11.654 -2.077 1.00 42.00 H new ATOM 0 HG22 VAL A 123 -0.066 12.738 -2.699 1.00 42.00 H new ATOM 0 HG23 VAL A 123 -0.455 11.234 -3.567 1.00 42.00 H new ATOM 1885 N LYS A 124 4.051 11.052 -1.052 1.00 61.10 N ATOM 1886 CA LYS A 124 5.131 10.486 -0.231 1.00 63.10 C ATOM 1887 C LYS A 124 4.659 10.115 1.187 1.00 33.34 C ATOM 1888 O LYS A 124 3.795 10.775 1.763 1.00 51.22 O ATOM 1889 CB LYS A 124 6.312 11.465 -0.154 1.00 32.05 C ATOM 1890 CG LYS A 124 6.919 11.796 -1.516 1.00 11.44 C ATOM 1891 CD LYS A 124 8.219 12.592 -1.403 1.00 20.55 C ATOM 1892 CE LYS A 124 8.002 13.988 -0.828 1.00 32.35 C ATOM 1893 NZ LYS A 124 9.271 14.763 -0.773 1.00 43.32 N ATOM 0 H LYS A 124 4.106 12.063 -1.179 1.00 61.10 H new ATOM 0 HA LYS A 124 5.452 9.565 -0.717 1.00 63.10 H new ATOM 0 HB2 LYS A 124 5.978 12.388 0.320 1.00 32.05 H new ATOM 0 HB3 LYS A 124 7.085 11.040 0.486 1.00 32.05 H new ATOM 0 HG2 LYS A 124 7.110 10.870 -2.059 1.00 11.44 H new ATOM 0 HG3 LYS A 124 6.198 12.366 -2.102 1.00 11.44 H new ATOM 0 HD2 LYS A 124 8.921 12.048 -0.771 1.00 20.55 H new ATOM 0 HD3 LYS A 124 8.677 12.676 -2.389 1.00 20.55 H new ATOM 0 HE2 LYS A 124 7.274 14.524 -1.438 1.00 32.35 H new ATOM 0 HE3 LYS A 124 7.581 13.908 0.174 1.00 32.35 H new ATOM 0 HZ1 LYS A 124 9.085 15.706 -0.377 1.00 43.32 H new ATOM 0 HZ2 LYS A 124 9.957 14.264 -0.171 1.00 43.32 H new ATOM 0 HZ3 LYS A 124 9.660 14.861 -1.733 1.00 43.32 H new ATOM 1907 N GLY A 125 5.255 9.059 1.741 1.00 65.23 N ATOM 1908 CA GLY A 125 4.915 8.590 3.083 1.00 30.33 C ATOM 1909 C GLY A 125 5.893 7.534 3.604 1.00 54.03 C ATOM 1910 O GLY A 125 7.028 7.445 3.134 1.00 2.02 O ATOM 0 H GLY A 125 5.979 8.510 1.278 1.00 65.23 H new ATOM 0 HA2 GLY A 125 4.903 9.438 3.768 1.00 30.33 H new ATOM 0 HA3 GLY A 125 3.908 8.174 3.074 1.00 30.33 H new ATOM 1914 N THR A 126 5.459 6.728 4.572 1.00 72.42 N ATOM 1915 CA THR A 126 6.308 5.669 5.150 1.00 41.05 C ATOM 1916 C THR A 126 5.634 4.295 5.062 1.00 11.10 C ATOM 1917 O THR A 126 4.437 4.165 5.302 1.00 14.12 O ATOM 1918 CB THR A 126 6.652 5.954 6.635 1.00 24.44 C ATOM 1919 OG1 THR A 126 5.449 6.145 7.403 1.00 43.22 O ATOM 1920 CG2 THR A 126 7.545 7.185 6.768 1.00 15.32 C ATOM 0 H THR A 126 4.525 6.783 4.978 1.00 72.42 H new ATOM 0 HA THR A 126 7.226 5.663 4.562 1.00 41.05 H new ATOM 0 HB THR A 126 7.193 5.090 7.021 1.00 24.44 H new ATOM 0 HG1 THR A 126 4.708 6.368 6.801 1.00 43.22 H new ATOM 0 HG21 THR A 126 7.769 7.360 7.820 1.00 15.32 H new ATOM 0 HG22 THR A 126 8.474 7.022 6.221 1.00 15.32 H new ATOM 0 HG23 THR A 126 7.030 8.054 6.358 1.00 15.32 H new ATOM 1928 N VAL A 127 6.409 3.266 4.723 1.00 10.43 N ATOM 1929 CA VAL A 127 5.875 1.902 4.626 1.00 1.25 C ATOM 1930 C VAL A 127 6.690 0.913 5.473 1.00 73.31 C ATOM 1931 O VAL A 127 7.907 1.045 5.602 1.00 63.23 O ATOM 1932 CB VAL A 127 5.851 1.417 3.152 1.00 62.14 C ATOM 1933 CG1 VAL A 127 7.263 1.360 2.568 1.00 55.33 C ATOM 1934 CG2 VAL A 127 5.157 0.062 3.033 1.00 34.21 C ATOM 0 H VAL A 127 7.404 3.346 4.511 1.00 10.43 H new ATOM 0 HA VAL A 127 4.856 1.934 5.011 1.00 1.25 H new ATOM 0 HB VAL A 127 5.278 2.141 2.573 1.00 62.14 H new ATOM 0 HG11 VAL A 127 7.216 1.017 1.534 1.00 55.33 H new ATOM 0 HG12 VAL A 127 7.711 2.353 2.601 1.00 55.33 H new ATOM 0 HG13 VAL A 127 7.871 0.669 3.152 1.00 55.33 H new ATOM 0 HG21 VAL A 127 5.154 -0.255 1.990 1.00 34.21 H new ATOM 0 HG22 VAL A 127 5.691 -0.674 3.634 1.00 34.21 H new ATOM 0 HG23 VAL A 127 4.130 0.146 3.390 1.00 34.21 H new ATOM 1944 N GLU A 128 6.002 -0.067 6.057 1.00 60.00 N ATOM 1945 CA GLU A 128 6.656 -1.150 6.802 1.00 54.04 C ATOM 1946 C GLU A 128 5.777 -2.409 6.828 1.00 11.04 C ATOM 1947 O GLU A 128 4.555 -2.335 6.664 1.00 1.23 O ATOM 1948 CB GLU A 128 6.982 -0.709 8.239 1.00 30.43 C ATOM 1949 CG GLU A 128 5.761 -0.279 9.045 1.00 63.01 C ATOM 1950 CD GLU A 128 6.070 -0.046 10.520 1.00 15.41 C ATOM 1951 OE1 GLU A 128 6.361 -1.033 11.235 1.00 74.01 O ATOM 1952 OE2 GLU A 128 5.998 1.118 10.970 1.00 73.51 O ATOM 0 H GLU A 128 4.985 -0.136 6.030 1.00 60.00 H new ATOM 0 HA GLU A 128 7.588 -1.387 6.289 1.00 54.04 H new ATOM 0 HB2 GLU A 128 7.477 -1.530 8.757 1.00 30.43 H new ATOM 0 HB3 GLU A 128 7.691 0.118 8.203 1.00 30.43 H new ATOM 0 HG2 GLU A 128 5.354 0.637 8.616 1.00 63.01 H new ATOM 0 HG3 GLU A 128 4.988 -1.043 8.958 1.00 63.01 H new ATOM 1959 N LYS A 129 6.403 -3.566 7.033 1.00 71.33 N ATOM 1960 CA LYS A 129 5.676 -4.839 7.106 1.00 0.30 C ATOM 1961 C LYS A 129 4.879 -4.949 8.415 1.00 24.32 C ATOM 1962 O LYS A 129 5.346 -4.531 9.479 1.00 74.43 O ATOM 1963 CB LYS A 129 6.657 -6.014 6.967 1.00 30.25 C ATOM 1964 CG LYS A 129 6.012 -7.391 7.120 1.00 5.31 C ATOM 1965 CD LYS A 129 6.929 -8.513 6.635 1.00 63.35 C ATOM 1966 CE LYS A 129 8.296 -8.481 7.318 1.00 64.13 C ATOM 1967 NZ LYS A 129 8.192 -8.675 8.791 1.00 62.03 N ATOM 0 H LYS A 129 7.412 -3.652 7.152 1.00 71.33 H new ATOM 0 HA LYS A 129 4.964 -4.875 6.282 1.00 0.30 H new ATOM 0 HB2 LYS A 129 7.138 -5.957 5.991 1.00 30.25 H new ATOM 0 HB3 LYS A 129 7.442 -5.908 7.716 1.00 30.25 H new ATOM 0 HG2 LYS A 129 5.759 -7.558 8.167 1.00 5.31 H new ATOM 0 HG3 LYS A 129 5.079 -7.418 6.558 1.00 5.31 H new ATOM 0 HD2 LYS A 129 6.453 -9.475 6.824 1.00 63.35 H new ATOM 0 HD3 LYS A 129 7.062 -8.430 5.556 1.00 63.35 H new ATOM 0 HE2 LYS A 129 8.931 -9.259 6.894 1.00 64.13 H new ATOM 0 HE3 LYS A 129 8.781 -7.527 7.112 1.00 64.13 H new ATOM 0 HZ1 LYS A 129 9.144 -8.680 9.209 1.00 62.03 H new ATOM 0 HZ2 LYS A 129 7.637 -7.899 9.205 1.00 62.03 H new ATOM 0 HZ3 LYS A 129 7.722 -9.581 8.989 1.00 62.03 H new ATOM 1981 N THR A 130 3.678 -5.518 8.340 1.00 73.15 N ATOM 1982 CA THR A 130 2.783 -5.597 9.504 1.00 14.03 C ATOM 1983 C THR A 130 2.205 -7.001 9.691 1.00 5.35 C ATOM 1984 O THR A 130 2.193 -7.813 8.769 1.00 54.22 O ATOM 1985 CB THR A 130 1.606 -4.595 9.399 1.00 61.15 C ATOM 1986 OG1 THR A 130 0.757 -4.713 10.550 1.00 71.43 O ATOM 1987 CG2 THR A 130 0.785 -4.831 8.135 1.00 14.20 C ATOM 0 H THR A 130 3.298 -5.932 7.489 1.00 73.15 H new ATOM 0 HA THR A 130 3.401 -5.343 10.365 1.00 14.03 H new ATOM 0 HB THR A 130 2.027 -3.591 9.352 1.00 61.15 H new ATOM 0 HG1 THR A 130 0.113 -3.975 10.558 1.00 71.43 H new ATOM 0 HG21 THR A 130 -0.032 -4.111 8.092 1.00 14.20 H new ATOM 0 HG22 THR A 130 1.422 -4.709 7.259 1.00 14.20 H new ATOM 0 HG23 THR A 130 0.378 -5.842 8.149 1.00 14.20 H new ATOM 1995 N ASP A 131 1.723 -7.272 10.898 1.00 43.13 N ATOM 1996 CA ASP A 131 1.123 -8.564 11.228 1.00 15.44 C ATOM 1997 C ASP A 131 -0.398 -8.540 11.002 1.00 72.34 C ATOM 1998 O ASP A 131 -1.054 -9.583 11.014 1.00 33.35 O ATOM 1999 CB ASP A 131 1.443 -8.925 12.682 1.00 23.12 C ATOM 2000 CG ASP A 131 2.932 -8.841 12.974 1.00 43.43 C ATOM 2001 OD1 ASP A 131 3.426 -7.726 13.252 1.00 4.34 O ATOM 2002 OD2 ASP A 131 3.618 -9.882 12.921 1.00 73.31 O ATOM 0 H ASP A 131 1.735 -6.609 11.673 1.00 43.13 H new ATOM 0 HA ASP A 131 1.546 -9.322 10.569 1.00 15.44 H new ATOM 0 HB2 ASP A 131 0.904 -8.253 13.350 1.00 23.12 H new ATOM 0 HB3 ASP A 131 1.089 -9.934 12.892 1.00 23.12 H new ATOM 2007 N GLU A 132 -0.945 -7.345 10.779 1.00 75.12 N ATOM 2008 CA GLU A 132 -2.388 -7.171 10.560 1.00 55.22 C ATOM 2009 C GLU A 132 -2.857 -7.823 9.251 1.00 1.12 C ATOM 2010 O GLU A 132 -2.049 -8.214 8.407 1.00 64.02 O ATOM 2011 CB GLU A 132 -2.746 -5.680 10.530 1.00 55.22 C ATOM 2012 CG GLU A 132 -2.387 -4.934 11.807 1.00 14.04 C ATOM 2013 CD GLU A 132 -2.870 -3.496 11.805 1.00 53.31 C ATOM 2014 OE1 GLU A 132 -4.101 -3.274 11.751 1.00 22.11 O ATOM 2015 OE2 GLU A 132 -2.025 -2.579 11.857 1.00 60.51 O ATOM 0 H GLU A 132 -0.411 -6.477 10.744 1.00 75.12 H new ATOM 0 HA GLU A 132 -2.896 -7.663 11.389 1.00 55.22 H new ATOM 0 HB2 GLU A 132 -2.234 -5.210 9.690 1.00 55.22 H new ATOM 0 HB3 GLU A 132 -3.816 -5.577 10.349 1.00 55.22 H new ATOM 0 HG2 GLU A 132 -2.819 -5.456 12.661 1.00 14.04 H new ATOM 0 HG3 GLU A 132 -1.305 -4.949 11.939 1.00 14.04 H new ATOM 2022 N LYS A 133 -4.175 -7.928 9.088 1.00 31.24 N ATOM 2023 CA LYS A 133 -4.761 -8.443 7.849 1.00 21.15 C ATOM 2024 C LYS A 133 -4.947 -7.318 6.822 1.00 72.43 C ATOM 2025 O LYS A 133 -5.094 -6.149 7.186 1.00 24.23 O ATOM 2026 CB LYS A 133 -6.101 -9.167 8.136 1.00 24.40 C ATOM 2027 CG LYS A 133 -7.151 -8.346 8.911 1.00 61.01 C ATOM 2028 CD LYS A 133 -7.838 -7.283 8.047 1.00 45.15 C ATOM 2029 CE LYS A 133 -8.983 -6.584 8.781 1.00 74.41 C ATOM 2030 NZ LYS A 133 -10.117 -7.506 9.070 1.00 20.40 N ATOM 0 H LYS A 133 -4.858 -7.664 9.798 1.00 31.24 H new ATOM 0 HA LYS A 133 -4.071 -9.171 7.422 1.00 21.15 H new ATOM 0 HB2 LYS A 133 -6.537 -9.476 7.186 1.00 24.40 H new ATOM 0 HB3 LYS A 133 -5.889 -10.076 8.699 1.00 24.40 H new ATOM 0 HG2 LYS A 133 -7.906 -9.021 9.315 1.00 61.01 H new ATOM 0 HG3 LYS A 133 -6.670 -7.861 9.760 1.00 61.01 H new ATOM 0 HD2 LYS A 133 -7.103 -6.541 7.736 1.00 45.15 H new ATOM 0 HD3 LYS A 133 -8.223 -7.749 7.140 1.00 45.15 H new ATOM 0 HE2 LYS A 133 -8.610 -6.166 9.716 1.00 74.41 H new ATOM 0 HE3 LYS A 133 -9.341 -5.749 8.179 1.00 74.41 H new ATOM 0 HZ1 LYS A 133 -10.948 -6.953 9.363 1.00 20.40 H new ATOM 0 HZ2 LYS A 133 -10.348 -8.051 8.215 1.00 20.40 H new ATOM 0 HZ3 LYS A 133 -9.848 -8.158 9.834 1.00 20.40 H new ATOM 2044 N VAL A 134 -4.924 -7.669 5.540 1.00 54.32 N ATOM 2045 CA VAL A 134 -5.177 -6.696 4.474 1.00 15.44 C ATOM 2046 C VAL A 134 -6.606 -6.138 4.577 1.00 71.15 C ATOM 2047 O VAL A 134 -7.572 -6.899 4.689 1.00 35.42 O ATOM 2048 CB VAL A 134 -4.962 -7.331 3.076 1.00 73.21 C ATOM 2049 CG1 VAL A 134 -5.348 -6.358 1.959 1.00 3.43 C ATOM 2050 CG2 VAL A 134 -3.511 -7.792 2.921 1.00 71.21 C ATOM 0 H VAL A 134 -4.734 -8.616 5.211 1.00 54.32 H new ATOM 0 HA VAL A 134 -4.466 -5.879 4.597 1.00 15.44 H new ATOM 0 HB VAL A 134 -5.614 -8.201 2.993 1.00 73.21 H new ATOM 0 HG11 VAL A 134 -5.186 -6.832 0.991 1.00 3.43 H new ATOM 0 HG12 VAL A 134 -6.399 -6.088 2.059 1.00 3.43 H new ATOM 0 HG13 VAL A 134 -4.734 -5.460 2.030 1.00 3.43 H new ATOM 0 HG21 VAL A 134 -3.374 -8.236 1.935 1.00 71.21 H new ATOM 0 HG22 VAL A 134 -2.844 -6.937 3.030 1.00 71.21 H new ATOM 0 HG23 VAL A 134 -3.280 -8.532 3.687 1.00 71.21 H new ATOM 2060 N LEU A 135 -6.739 -4.812 4.558 1.00 11.45 N ATOM 2061 CA LEU A 135 -8.055 -4.175 4.664 1.00 35.35 C ATOM 2062 C LEU A 135 -8.922 -4.461 3.439 1.00 2.20 C ATOM 2063 O LEU A 135 -8.892 -3.718 2.465 1.00 53.34 O ATOM 2064 CB LEU A 135 -7.931 -2.657 4.873 1.00 10.22 C ATOM 2065 CG LEU A 135 -7.905 -2.193 6.338 1.00 63.45 C ATOM 2066 CD1 LEU A 135 -7.993 -0.676 6.414 1.00 62.44 C ATOM 2067 CD2 LEU A 135 -9.042 -2.840 7.127 1.00 20.40 C ATOM 0 H LEU A 135 -5.959 -4.161 4.471 1.00 11.45 H new ATOM 0 HA LEU A 135 -8.542 -4.608 5.538 1.00 35.35 H new ATOM 0 HB2 LEU A 135 -7.019 -2.313 4.385 1.00 10.22 H new ATOM 0 HB3 LEU A 135 -8.766 -2.169 4.370 1.00 10.22 H new ATOM 0 HG LEU A 135 -6.961 -2.506 6.784 1.00 63.45 H new ATOM 0 HD11 LEU A 135 -7.973 -0.362 7.458 1.00 62.44 H new ATOM 0 HD12 LEU A 135 -7.147 -0.236 5.887 1.00 62.44 H new ATOM 0 HD13 LEU A 135 -8.922 -0.342 5.952 1.00 62.44 H new ATOM 0 HD21 LEU A 135 -9.007 -2.499 8.162 1.00 20.40 H new ATOM 0 HD22 LEU A 135 -9.998 -2.559 6.685 1.00 20.40 H new ATOM 0 HD23 LEU A 135 -8.934 -3.924 7.098 1.00 20.40 H new ATOM 2079 N SER A 136 -9.693 -5.539 3.509 1.00 41.35 N ATOM 2080 CA SER A 136 -10.599 -5.924 2.419 1.00 44.55 C ATOM 2081 C SER A 136 -11.450 -4.733 1.967 1.00 30.31 C ATOM 2082 O SER A 136 -11.793 -3.874 2.776 1.00 65.43 O ATOM 2083 CB SER A 136 -11.514 -7.074 2.869 1.00 71.25 C ATOM 2084 OG SER A 136 -10.760 -8.179 3.356 1.00 33.13 O ATOM 0 H SER A 136 -9.713 -6.169 4.311 1.00 41.35 H new ATOM 0 HA SER A 136 -9.991 -6.256 1.577 1.00 44.55 H new ATOM 0 HB2 SER A 136 -12.189 -6.720 3.649 1.00 71.25 H new ATOM 0 HB3 SER A 136 -12.135 -7.396 2.033 1.00 71.25 H new ATOM 0 HG SER A 136 -11.370 -8.893 3.636 1.00 33.13 H new ATOM 2090 N VAL A 137 -11.811 -4.700 0.684 1.00 34.12 N ATOM 2091 CA VAL A 137 -12.548 -3.566 0.101 1.00 64.21 C ATOM 2092 C VAL A 137 -13.710 -3.107 0.999 1.00 24.44 C ATOM 2093 O VAL A 137 -13.889 -1.913 1.240 1.00 34.31 O ATOM 2094 CB VAL A 137 -13.099 -3.929 -1.303 1.00 34.41 C ATOM 2095 CG1 VAL A 137 -13.960 -2.800 -1.865 1.00 14.02 C ATOM 2096 CG2 VAL A 137 -11.957 -4.263 -2.262 1.00 33.22 C ATOM 0 H VAL A 137 -11.606 -5.448 0.021 1.00 34.12 H new ATOM 0 HA VAL A 137 -11.837 -2.744 0.014 1.00 64.21 H new ATOM 0 HB VAL A 137 -13.729 -4.812 -1.197 1.00 34.41 H new ATOM 0 HG11 VAL A 137 -14.333 -3.082 -2.850 1.00 14.02 H new ATOM 0 HG12 VAL A 137 -14.802 -2.617 -1.197 1.00 14.02 H new ATOM 0 HG13 VAL A 137 -13.361 -1.893 -1.950 1.00 14.02 H new ATOM 0 HG21 VAL A 137 -12.366 -4.515 -3.241 1.00 33.22 H new ATOM 0 HG22 VAL A 137 -11.296 -3.401 -2.355 1.00 33.22 H new ATOM 0 HG23 VAL A 137 -11.393 -5.112 -1.875 1.00 33.22 H new ATOM 2106 N LYS A 138 -14.477 -4.065 1.508 1.00 74.14 N ATOM 2107 CA LYS A 138 -15.595 -3.771 2.411 1.00 3.12 C ATOM 2108 C LYS A 138 -15.106 -3.325 3.802 1.00 74.53 C ATOM 2109 O LYS A 138 -15.617 -2.357 4.371 1.00 22.51 O ATOM 2110 CB LYS A 138 -16.490 -5.007 2.539 1.00 63.41 C ATOM 2111 CG LYS A 138 -17.694 -4.821 3.461 1.00 65.51 C ATOM 2112 CD LYS A 138 -18.465 -6.127 3.635 1.00 31.22 C ATOM 2113 CE LYS A 138 -18.979 -6.667 2.304 1.00 35.53 C ATOM 2114 NZ LYS A 138 -19.505 -8.052 2.429 1.00 30.25 N ATOM 0 H LYS A 138 -14.348 -5.058 1.312 1.00 74.14 H new ATOM 0 HA LYS A 138 -16.164 -2.945 1.984 1.00 3.12 H new ATOM 0 HB2 LYS A 138 -16.847 -5.287 1.548 1.00 63.41 H new ATOM 0 HB3 LYS A 138 -15.890 -5.839 2.908 1.00 63.41 H new ATOM 0 HG2 LYS A 138 -17.358 -4.462 4.434 1.00 65.51 H new ATOM 0 HG3 LYS A 138 -18.355 -4.058 3.050 1.00 65.51 H new ATOM 0 HD2 LYS A 138 -17.819 -6.870 4.103 1.00 31.22 H new ATOM 0 HD3 LYS A 138 -19.306 -5.965 4.310 1.00 31.22 H new ATOM 0 HE2 LYS A 138 -19.766 -6.013 1.927 1.00 35.53 H new ATOM 0 HE3 LYS A 138 -18.173 -6.651 1.571 1.00 35.53 H new ATOM 0 HZ1 LYS A 138 -19.844 -8.380 1.502 1.00 30.25 H new ATOM 0 HZ2 LYS A 138 -18.748 -8.682 2.764 1.00 30.25 H new ATOM 0 HZ3 LYS A 138 -20.292 -8.065 3.109 1.00 30.25 H new ATOM 2128 N GLU A 139 -14.103 -4.023 4.341 1.00 42.33 N ATOM 2129 CA GLU A 139 -13.563 -3.706 5.666 1.00 32.34 C ATOM 2130 C GLU A 139 -12.990 -2.284 5.687 1.00 32.51 C ATOM 2131 O GLU A 139 -13.028 -1.592 6.701 1.00 74.14 O ATOM 2132 CB GLU A 139 -12.472 -4.720 6.046 1.00 33.23 C ATOM 2133 CG GLU A 139 -11.933 -4.557 7.467 1.00 32.51 C ATOM 2134 CD GLU A 139 -12.874 -5.098 8.537 1.00 12.23 C ATOM 2135 OE1 GLU A 139 -14.006 -4.589 8.666 1.00 3.14 O ATOM 2136 OE2 GLU A 139 -12.482 -6.047 9.251 1.00 41.21 O ATOM 0 H GLU A 139 -13.648 -4.811 3.880 1.00 42.33 H new ATOM 0 HA GLU A 139 -14.372 -3.764 6.394 1.00 32.34 H new ATOM 0 HB2 GLU A 139 -12.873 -5.727 5.935 1.00 33.23 H new ATOM 0 HB3 GLU A 139 -11.645 -4.627 5.343 1.00 33.23 H new ATOM 0 HG2 GLU A 139 -10.974 -5.069 7.545 1.00 32.51 H new ATOM 0 HG3 GLU A 139 -11.747 -3.500 7.658 1.00 32.51 H new ATOM 2143 N LEU A 140 -12.460 -1.868 4.545 1.00 75.24 N ATOM 2144 CA LEU A 140 -11.935 -0.523 4.360 1.00 71.12 C ATOM 2145 C LEU A 140 -13.066 0.518 4.446 1.00 34.32 C ATOM 2146 O LEU A 140 -12.886 1.599 5.008 1.00 40.14 O ATOM 2147 CB LEU A 140 -11.215 -0.461 3.009 1.00 55.12 C ATOM 2148 CG LEU A 140 -10.016 0.487 2.958 1.00 21.24 C ATOM 2149 CD1 LEU A 140 -9.078 0.096 1.829 1.00 74.02 C ATOM 2150 CD2 LEU A 140 -10.464 1.935 2.805 1.00 73.24 C ATOM 0 H LEU A 140 -12.382 -2.458 3.716 1.00 75.24 H new ATOM 0 HA LEU A 140 -11.225 -0.288 5.153 1.00 71.12 H new ATOM 0 HB2 LEU A 140 -10.877 -1.464 2.748 1.00 55.12 H new ATOM 0 HB3 LEU A 140 -11.932 -0.157 2.246 1.00 55.12 H new ATOM 0 HG LEU A 140 -9.479 0.402 3.903 1.00 21.24 H new ATOM 0 HD11 LEU A 140 -8.230 0.781 1.807 1.00 74.02 H new ATOM 0 HD12 LEU A 140 -8.719 -0.921 1.990 1.00 74.02 H new ATOM 0 HD13 LEU A 140 -9.611 0.147 0.879 1.00 74.02 H new ATOM 0 HD21 LEU A 140 -9.590 2.585 2.772 1.00 73.24 H new ATOM 0 HD22 LEU A 140 -11.033 2.044 1.882 1.00 73.24 H new ATOM 0 HD23 LEU A 140 -11.091 2.213 3.652 1.00 73.24 H new ATOM 2162 N LEU A 141 -14.239 0.172 3.902 1.00 65.31 N ATOM 2163 CA LEU A 141 -15.427 1.034 4.006 1.00 65.23 C ATOM 2164 C LEU A 141 -15.793 1.245 5.481 1.00 30.21 C ATOM 2165 O LEU A 141 -16.102 2.356 5.917 1.00 31.15 O ATOM 2166 CB LEU A 141 -16.629 0.408 3.271 1.00 70.32 C ATOM 2167 CG LEU A 141 -16.360 -0.100 1.845 1.00 75.03 C ATOM 2168 CD1 LEU A 141 -17.638 -0.655 1.217 1.00 75.43 C ATOM 2169 CD2 LEU A 141 -15.759 0.997 0.973 1.00 14.10 C ATOM 0 H LEU A 141 -14.393 -0.695 3.387 1.00 65.31 H new ATOM 0 HA LEU A 141 -15.191 1.992 3.542 1.00 65.23 H new ATOM 0 HB2 LEU A 141 -17.000 -0.425 3.868 1.00 70.32 H new ATOM 0 HB3 LEU A 141 -17.428 1.149 3.226 1.00 70.32 H new ATOM 0 HG LEU A 141 -15.633 -0.909 1.910 1.00 75.03 H new ATOM 0 HD11 LEU A 141 -17.424 -1.009 0.208 1.00 75.43 H new ATOM 0 HD12 LEU A 141 -18.010 -1.483 1.820 1.00 75.43 H new ATOM 0 HD13 LEU A 141 -18.393 0.130 1.174 1.00 75.43 H new ATOM 0 HD21 LEU A 141 -15.580 0.608 -0.029 1.00 14.10 H new ATOM 0 HD22 LEU A 141 -16.451 1.838 0.918 1.00 14.10 H new ATOM 0 HD23 LEU A 141 -14.816 1.331 1.406 1.00 14.10 H new