USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 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 74 LYS NZ :NH3+ -171:sc= -1.79 (180deg=-0.432) USER MOD Set 1.2: A 130 THR OG1 : rot 50:sc= -1.24 USER MOD Set 2.1: A 53 ASN : amide:sc= 0.281 K(o=2,f=-1.7) USER MOD Set 2.2: A 103 TYR OH : rot -140:sc= 1.76 USER MOD Set 3.1: A 30 SER OG : rot 58:sc= -2.61! USER MOD Set 3.2: A 100 MET CE :methyl -150:sc= -1.38 (180deg=-3.41!) USER MOD Set 4.1: A 23 MET CE :methyl -169:sc= -2.31! (180deg=-2.65) USER MOD Set 4.2: A 126 THR OG1 : rot -42:sc= -0.175 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.45) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -5.37! C(o=-5.4!,f=-5.3!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 68 GLN : amide:sc= -0.131 K(o=-0.13,f=-3.1!) USER MOD Single : A 76 LYS NZ :NH3+ -137:sc= 1.25 (180deg=0.101!) USER MOD Single : A 77 THR OG1 : rot -174:sc= 1.27 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 1.07 (180deg=1.05) USER MOD Single : A 93 LYS NZ :NH3+ -149:sc= 1.24 (180deg=0.293) USER MOD Single : A 95 MET CE :methyl -128:sc= -0.0292 (180deg=-2.34!) USER MOD Single : A 105 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.0026) USER MOD Single : A 106 MET CE :methyl -163:sc= -0.0527 (180deg=-0.624) USER MOD Single : A 124 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.15) USER MOD Single : A 129 LYS NZ :NH3+ -105:sc= 2.04 (180deg=-0.692) USER MOD Single : A 133 LYS NZ :NH3+ -152:sc= 1.22 (180deg=1.01) 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 10.572 0.812 9.640 1.00 43.42 N ATOM 342 CA MET A 23 9.812 1.263 8.475 1.00 51.02 C ATOM 343 C MET A 23 10.637 2.247 7.628 1.00 31.21 C ATOM 344 O MET A 23 11.534 2.916 8.140 1.00 31.15 O ATOM 345 CB MET A 23 8.518 1.928 8.948 1.00 3.31 C ATOM 346 CG MET A 23 8.747 3.162 9.814 1.00 22.52 C ATOM 347 SD MET A 23 7.237 3.743 10.608 1.00 64.35 S ATOM 348 CE MET A 23 6.121 3.716 9.213 1.00 62.31 C ATOM 0 HA MET A 23 9.576 0.402 7.850 1.00 51.02 H new ATOM 0 HB2 MET A 23 7.925 2.210 8.078 1.00 3.31 H new ATOM 0 HB3 MET A 23 7.932 1.203 9.512 1.00 3.31 H new ATOM 0 HG2 MET A 23 9.489 2.932 10.578 1.00 22.52 H new ATOM 0 HG3 MET A 23 9.160 3.961 9.199 1.00 22.52 H new ATOM 0 HE1 MET A 23 5.196 4.229 9.477 1.00 62.31 H new ATOM 0 HE2 MET A 23 6.586 4.220 8.365 1.00 62.31 H new ATOM 0 HE3 MET A 23 5.899 2.683 8.944 1.00 62.31 H new ATOM 358 N LEU A 24 10.333 2.331 6.334 1.00 45.43 N ATOM 359 CA LEU A 24 11.054 3.234 5.423 1.00 10.53 C ATOM 360 C LEU A 24 10.138 4.307 4.828 1.00 0.51 C ATOM 361 O LEU A 24 8.944 4.080 4.619 1.00 12.41 O ATOM 362 CB LEU A 24 11.713 2.450 4.285 1.00 45.31 C ATOM 363 CG LEU A 24 12.967 1.655 4.682 1.00 74.10 C ATOM 364 CD1 LEU A 24 12.646 0.184 4.924 1.00 32.14 C ATOM 365 CD2 LEU A 24 14.052 1.825 3.627 1.00 61.12 C ATOM 0 H LEU A 24 9.594 1.788 5.888 1.00 45.43 H new ATOM 0 HA LEU A 24 11.820 3.729 6.020 1.00 10.53 H new ATOM 0 HB2 LEU A 24 10.980 1.759 3.869 1.00 45.31 H new ATOM 0 HB3 LEU A 24 11.980 3.147 3.491 1.00 45.31 H new ATOM 0 HG LEU A 24 13.341 2.054 5.625 1.00 74.10 H new ATOM 0 HD11 LEU A 24 13.557 -0.346 5.203 1.00 32.14 H new ATOM 0 HD12 LEU A 24 11.916 0.099 5.729 1.00 32.14 H new ATOM 0 HD13 LEU A 24 12.236 -0.253 4.014 1.00 32.14 H new ATOM 0 HD21 LEU A 24 14.936 1.257 3.919 1.00 61.12 H new ATOM 0 HD22 LEU A 24 13.687 1.460 2.667 1.00 61.12 H new ATOM 0 HD23 LEU A 24 14.311 2.880 3.539 1.00 61.12 H new ATOM 377 N GLU A 25 10.710 5.478 4.553 1.00 23.55 N ATOM 378 CA GLU A 25 9.981 6.551 3.870 1.00 42.05 C ATOM 379 C GLU A 25 10.041 6.389 2.353 1.00 72.41 C ATOM 380 O GLU A 25 11.113 6.262 1.760 1.00 41.13 O ATOM 381 CB GLU A 25 10.507 7.932 4.281 1.00 44.31 C ATOM 382 CG GLU A 25 9.774 8.512 5.480 1.00 61.12 C ATOM 383 CD GLU A 25 10.339 9.841 5.940 1.00 42.04 C ATOM 384 OE1 GLU A 25 11.289 9.839 6.751 1.00 11.21 O ATOM 385 OE2 GLU A 25 9.837 10.894 5.491 1.00 43.32 O ATOM 0 H GLU A 25 11.674 5.710 4.791 1.00 23.55 H new ATOM 0 HA GLU A 25 8.938 6.477 4.178 1.00 42.05 H new ATOM 0 HB2 GLU A 25 11.569 7.856 4.513 1.00 44.31 H new ATOM 0 HB3 GLU A 25 10.413 8.617 3.438 1.00 44.31 H new ATOM 0 HG2 GLU A 25 8.722 8.640 5.227 1.00 61.12 H new ATOM 0 HG3 GLU A 25 9.819 7.800 6.304 1.00 61.12 H new ATOM 392 N VAL A 26 8.873 6.420 1.734 1.00 60.22 N ATOM 393 CA VAL A 26 8.740 6.212 0.288 1.00 43.35 C ATOM 394 C VAL A 26 7.690 7.157 -0.308 1.00 62.12 C ATOM 395 O VAL A 26 6.868 7.712 0.415 1.00 21.44 O ATOM 396 CB VAL A 26 8.336 4.747 -0.039 1.00 60.41 C ATOM 397 CG1 VAL A 26 9.428 3.764 0.385 1.00 62.52 C ATOM 398 CG2 VAL A 26 7.001 4.391 0.616 1.00 62.13 C ATOM 0 H VAL A 26 7.988 6.589 2.211 1.00 60.22 H new ATOM 0 HA VAL A 26 9.714 6.422 -0.153 1.00 43.35 H new ATOM 0 HB VAL A 26 8.217 4.668 -1.120 1.00 60.41 H new ATOM 0 HG11 VAL A 26 9.117 2.748 0.143 1.00 62.52 H new ATOM 0 HG12 VAL A 26 10.352 3.996 -0.145 1.00 62.52 H new ATOM 0 HG13 VAL A 26 9.595 3.847 1.459 1.00 62.52 H new ATOM 0 HG21 VAL A 26 6.740 3.361 0.373 1.00 62.13 H new ATOM 0 HG22 VAL A 26 7.086 4.498 1.697 1.00 62.13 H new ATOM 0 HG23 VAL A 26 6.224 5.060 0.245 1.00 62.13 H new ATOM 408 N GLU A 27 7.713 7.338 -1.623 1.00 54.33 N ATOM 409 CA GLU A 27 6.689 8.144 -2.296 1.00 3.52 C ATOM 410 C GLU A 27 5.616 7.231 -2.909 1.00 40.13 C ATOM 411 O GLU A 27 5.884 6.469 -3.838 1.00 41.33 O ATOM 412 CB GLU A 27 7.323 9.049 -3.364 1.00 55.23 C ATOM 413 CG GLU A 27 6.371 10.107 -3.921 1.00 71.34 C ATOM 414 CD GLU A 27 7.083 11.184 -4.730 1.00 14.04 C ATOM 415 OE1 GLU A 27 8.231 11.534 -4.383 1.00 30.24 O ATOM 416 OE2 GLU A 27 6.485 11.712 -5.689 1.00 64.43 O ATOM 0 H GLU A 27 8.420 6.944 -2.244 1.00 54.33 H new ATOM 0 HA GLU A 27 6.210 8.788 -1.559 1.00 3.52 H new ATOM 0 HB2 GLU A 27 8.193 9.546 -2.935 1.00 55.23 H new ATOM 0 HB3 GLU A 27 7.683 8.429 -4.185 1.00 55.23 H new ATOM 0 HG2 GLU A 27 5.625 9.621 -4.551 1.00 71.34 H new ATOM 0 HG3 GLU A 27 5.835 10.576 -3.096 1.00 71.34 H new ATOM 423 N VAL A 28 4.409 7.304 -2.355 1.00 1.33 N ATOM 424 CA VAL A 28 3.309 6.402 -2.711 1.00 24.44 C ATOM 425 C VAL A 28 2.512 6.920 -3.917 1.00 40.05 C ATOM 426 O VAL A 28 1.915 7.996 -3.867 1.00 44.23 O ATOM 427 CB VAL A 28 2.340 6.224 -1.516 1.00 4.14 C ATOM 428 CG1 VAL A 28 1.271 5.178 -1.829 1.00 73.11 C ATOM 429 CG2 VAL A 28 3.110 5.867 -0.244 1.00 52.12 C ATOM 0 H VAL A 28 4.162 7.992 -1.643 1.00 1.33 H new ATOM 0 HA VAL A 28 3.760 5.445 -2.973 1.00 24.44 H new ATOM 0 HB VAL A 28 1.832 7.173 -1.345 1.00 4.14 H new ATOM 0 HG11 VAL A 28 0.604 5.072 -0.974 1.00 73.11 H new ATOM 0 HG12 VAL A 28 0.697 5.494 -2.700 1.00 73.11 H new ATOM 0 HG13 VAL A 28 1.749 4.221 -2.037 1.00 73.11 H new ATOM 0 HG21 VAL A 28 2.410 5.747 0.583 1.00 52.12 H new ATOM 0 HG22 VAL A 28 3.654 4.935 -0.398 1.00 52.12 H new ATOM 0 HG23 VAL A 28 3.815 6.665 -0.010 1.00 52.12 H new ATOM 439 N ILE A 29 2.487 6.141 -4.988 1.00 53.54 N ATOM 440 CA ILE A 29 1.796 6.539 -6.216 1.00 13.53 C ATOM 441 C ILE A 29 0.457 5.807 -6.371 1.00 34.53 C ATOM 442 O ILE A 29 0.271 4.715 -5.837 1.00 23.12 O ATOM 443 CB ILE A 29 2.665 6.241 -7.461 1.00 54.51 C ATOM 444 CG1 ILE A 29 4.157 6.421 -7.124 1.00 43.15 C ATOM 445 CG2 ILE A 29 2.251 7.161 -8.608 1.00 60.24 C ATOM 446 CD1 ILE A 29 5.093 6.024 -8.243 1.00 35.44 C ATOM 0 H ILE A 29 2.937 5.227 -5.036 1.00 53.54 H new ATOM 0 HA ILE A 29 1.613 7.611 -6.140 1.00 13.53 H new ATOM 0 HB ILE A 29 2.511 5.207 -7.770 1.00 54.51 H new ATOM 0 HG12 ILE A 29 4.337 7.465 -6.867 1.00 43.15 H new ATOM 0 HG13 ILE A 29 4.393 5.829 -6.240 1.00 43.15 H new ATOM 0 HG21 ILE A 29 2.864 6.949 -9.484 1.00 60.24 H new ATOM 0 HG22 ILE A 29 1.202 6.991 -8.850 1.00 60.24 H new ATOM 0 HG23 ILE A 29 2.391 8.200 -8.310 1.00 60.24 H new ATOM 0 HD11 ILE A 29 6.124 6.180 -7.927 1.00 35.44 H new ATOM 0 HD12 ILE A 29 4.943 4.972 -8.487 1.00 35.44 H new ATOM 0 HD13 ILE A 29 4.887 6.633 -9.123 1.00 35.44 H new ATOM 458 N SER A 30 -0.472 6.407 -7.109 1.00 23.33 N ATOM 459 CA SER A 30 -1.752 5.758 -7.406 1.00 50.42 C ATOM 460 C SER A 30 -2.106 5.891 -8.892 1.00 24.41 C ATOM 461 O SER A 30 -2.454 6.974 -9.366 1.00 21.15 O ATOM 462 CB SER A 30 -2.873 6.339 -6.542 1.00 13.15 C ATOM 463 OG SER A 30 -4.043 5.547 -6.635 1.00 62.45 O ATOM 0 H SER A 30 -0.367 7.338 -7.513 1.00 23.33 H new ATOM 0 HA SER A 30 -1.647 4.699 -7.171 1.00 50.42 H new ATOM 0 HB2 SER A 30 -2.547 6.393 -5.503 1.00 13.15 H new ATOM 0 HB3 SER A 30 -3.092 7.358 -6.860 1.00 13.15 H new ATOM 0 HG SER A 30 -3.839 4.629 -6.359 1.00 62.45 H new ATOM 469 N GLY A 31 -2.004 4.782 -9.624 1.00 41.52 N ATOM 470 CA GLY A 31 -2.262 4.799 -11.064 1.00 65.30 C ATOM 471 C GLY A 31 -3.609 4.193 -11.438 1.00 5.30 C ATOM 472 O GLY A 31 -3.974 3.121 -10.948 1.00 12.42 O ATOM 0 H GLY A 31 -1.747 3.869 -9.249 1.00 41.52 H new ATOM 0 HA2 GLY A 31 -2.221 5.828 -11.422 1.00 65.30 H new ATOM 0 HA3 GLY A 31 -1.470 4.252 -11.575 1.00 65.30 H new ATOM 711 N GLU A 47 -12.822 -8.468 -8.758 1.00 65.15 N ATOM 712 CA GLU A 47 -11.725 -7.982 -9.602 1.00 40.42 C ATOM 713 C GLU A 47 -11.183 -6.641 -9.084 1.00 4.53 C ATOM 714 O GLU A 47 -9.978 -6.395 -9.101 1.00 33.33 O ATOM 715 CB GLU A 47 -12.190 -7.833 -11.054 1.00 33.24 C ATOM 716 CG GLU A 47 -11.047 -7.646 -12.048 1.00 1.52 C ATOM 717 CD GLU A 47 -10.118 -8.851 -12.106 1.00 4.42 C ATOM 718 OE1 GLU A 47 -10.512 -9.877 -12.707 1.00 73.25 O ATOM 719 OE2 GLU A 47 -9.002 -8.784 -11.551 1.00 42.21 O ATOM 0 HA GLU A 47 -10.921 -8.717 -9.561 1.00 40.42 H new ATOM 0 HB2 GLU A 47 -12.763 -8.716 -11.335 1.00 33.24 H new ATOM 0 HB3 GLU A 47 -12.864 -6.980 -11.125 1.00 33.24 H new ATOM 0 HG2 GLU A 47 -11.460 -7.462 -13.040 1.00 1.52 H new ATOM 0 HG3 GLU A 47 -10.472 -6.762 -11.773 1.00 1.52 H new ATOM 726 N TYR A 48 -12.087 -5.782 -8.606 1.00 62.21 N ATOM 727 CA TYR A 48 -11.700 -4.495 -8.016 1.00 62.42 C ATOM 728 C TYR A 48 -10.772 -4.737 -6.816 1.00 31.42 C ATOM 729 O TYR A 48 -9.745 -4.079 -6.660 1.00 32.32 O ATOM 730 CB TYR A 48 -12.955 -3.721 -7.570 1.00 22.10 C ATOM 731 CG TYR A 48 -12.762 -2.216 -7.422 1.00 32.44 C ATOM 732 CD1 TYR A 48 -11.970 -1.677 -6.414 1.00 3.22 C ATOM 733 CD2 TYR A 48 -13.389 -1.334 -8.295 1.00 31.13 C ATOM 734 CE1 TYR A 48 -11.808 -0.309 -6.288 1.00 33.21 C ATOM 735 CE2 TYR A 48 -13.234 0.034 -8.177 1.00 21.51 C ATOM 736 CZ TYR A 48 -12.441 0.542 -7.171 1.00 65.30 C ATOM 737 OH TYR A 48 -12.283 1.901 -7.043 1.00 63.53 O ATOM 0 H TYR A 48 -13.092 -5.953 -8.615 1.00 62.21 H new ATOM 0 HA TYR A 48 -11.171 -3.902 -8.762 1.00 62.42 H new ATOM 0 HB2 TYR A 48 -13.751 -3.901 -8.292 1.00 22.10 H new ATOM 0 HB3 TYR A 48 -13.293 -4.125 -6.616 1.00 22.10 H new ATOM 0 HD1 TYR A 48 -11.473 -2.337 -5.718 1.00 3.22 H new ATOM 0 HD2 TYR A 48 -14.012 -1.728 -9.084 1.00 31.13 H new ATOM 0 HE1 TYR A 48 -11.188 0.092 -5.500 1.00 33.21 H new ATOM 0 HE2 TYR A 48 -13.730 0.700 -8.868 1.00 21.51 H new ATOM 0 HH TYR A 48 -12.794 2.357 -7.744 1.00 63.53 H new ATOM 747 N PHE A 49 -11.144 -5.713 -5.989 1.00 50.03 N ATOM 748 CA PHE A 49 -10.326 -6.133 -4.850 1.00 22.24 C ATOM 749 C PHE A 49 -8.956 -6.637 -5.338 1.00 60.22 C ATOM 750 O PHE A 49 -7.915 -6.066 -5.014 1.00 64.44 O ATOM 751 CB PHE A 49 -11.067 -7.238 -4.072 1.00 64.13 C ATOM 752 CG PHE A 49 -10.356 -7.736 -2.832 1.00 64.31 C ATOM 753 CD1 PHE A 49 -9.426 -8.767 -2.908 1.00 2.44 C ATOM 754 CD2 PHE A 49 -10.631 -7.184 -1.588 1.00 1.34 C ATOM 755 CE1 PHE A 49 -8.785 -9.228 -1.772 1.00 60.14 C ATOM 756 CE2 PHE A 49 -9.995 -7.645 -0.451 1.00 41.10 C ATOM 757 CZ PHE A 49 -9.071 -8.667 -0.543 1.00 23.32 C ATOM 0 H PHE A 49 -12.016 -6.233 -6.088 1.00 50.03 H new ATOM 0 HA PHE A 49 -10.158 -5.283 -4.188 1.00 22.24 H new ATOM 0 HB2 PHE A 49 -12.048 -6.862 -3.783 1.00 64.13 H new ATOM 0 HB3 PHE A 49 -11.233 -8.083 -4.741 1.00 64.13 H new ATOM 0 HD1 PHE A 49 -9.201 -9.213 -3.865 1.00 2.44 H new ATOM 0 HD2 PHE A 49 -11.352 -6.384 -1.508 1.00 1.34 H new ATOM 0 HE1 PHE A 49 -8.061 -10.026 -1.846 1.00 60.14 H new ATOM 0 HE2 PHE A 49 -10.221 -7.206 0.510 1.00 41.10 H new ATOM 0 HZ PHE A 49 -8.573 -9.027 0.345 1.00 23.32 H new ATOM 767 N ASN A 50 -8.981 -7.684 -6.160 1.00 33.12 N ATOM 768 CA ASN A 50 -7.758 -8.300 -6.698 1.00 13.22 C ATOM 769 C ASN A 50 -6.836 -7.271 -7.380 1.00 31.12 C ATOM 770 O ASN A 50 -5.615 -7.445 -7.418 1.00 74.41 O ATOM 771 CB ASN A 50 -8.134 -9.400 -7.701 1.00 22.02 C ATOM 772 CG ASN A 50 -9.033 -10.460 -7.093 1.00 4.15 C ATOM 773 OD1 ASN A 50 -8.953 -10.756 -5.905 1.00 4.02 O ATOM 774 ND2 ASN A 50 -9.906 -11.033 -7.896 1.00 1.40 N ATOM 0 H ASN A 50 -9.842 -8.131 -6.474 1.00 33.12 H new ATOM 0 HA ASN A 50 -7.209 -8.726 -5.858 1.00 13.22 H new ATOM 0 HB2 ASN A 50 -8.637 -8.950 -8.557 1.00 22.02 H new ATOM 0 HB3 ASN A 50 -7.225 -9.871 -8.076 1.00 22.02 H new ATOM 0 HD21 ASN A 50 -10.541 -11.745 -7.535 1.00 1.40 H new ATOM 0 HD22 ASN A 50 -9.947 -10.765 -8.879 1.00 1.40 H new ATOM 781 N ALA A 51 -7.424 -6.203 -7.914 1.00 30.42 N ATOM 782 CA ALA A 51 -6.668 -5.185 -8.651 1.00 44.32 C ATOM 783 C ALA A 51 -5.986 -4.150 -7.734 1.00 22.41 C ATOM 784 O ALA A 51 -4.874 -3.714 -8.014 1.00 24.33 O ATOM 785 CB ALA A 51 -7.579 -4.476 -9.650 1.00 2.34 C ATOM 0 H ALA A 51 -8.425 -6.017 -7.851 1.00 30.42 H new ATOM 0 HA ALA A 51 -5.871 -5.710 -9.178 1.00 44.32 H new ATOM 0 HB1 ALA A 51 -7.008 -3.722 -10.192 1.00 2.34 H new ATOM 0 HB2 ALA A 51 -7.981 -5.203 -10.355 1.00 2.34 H new ATOM 0 HB3 ALA A 51 -8.400 -3.996 -9.117 1.00 2.34 H new ATOM 791 N VAL A 52 -6.649 -3.751 -6.647 1.00 15.43 N ATOM 792 CA VAL A 52 -6.142 -2.652 -5.801 1.00 42.12 C ATOM 793 C VAL A 52 -5.631 -3.122 -4.423 1.00 1.32 C ATOM 794 O VAL A 52 -5.330 -2.301 -3.555 1.00 50.52 O ATOM 795 CB VAL A 52 -7.233 -1.570 -5.593 1.00 33.21 C ATOM 796 CG1 VAL A 52 -7.742 -1.046 -6.936 1.00 60.24 C ATOM 797 CG2 VAL A 52 -8.387 -2.107 -4.749 1.00 43.31 C ATOM 0 H VAL A 52 -7.527 -4.161 -6.329 1.00 15.43 H new ATOM 0 HA VAL A 52 -5.292 -2.235 -6.341 1.00 42.12 H new ATOM 0 HB VAL A 52 -6.780 -0.739 -5.052 1.00 33.21 H new ATOM 0 HG11 VAL A 52 -8.507 -0.288 -6.765 1.00 60.24 H new ATOM 0 HG12 VAL A 52 -6.914 -0.607 -7.493 1.00 60.24 H new ATOM 0 HG13 VAL A 52 -8.169 -1.869 -7.509 1.00 60.24 H new ATOM 0 HG21 VAL A 52 -9.137 -1.327 -4.620 1.00 43.31 H new ATOM 0 HG22 VAL A 52 -8.837 -2.963 -5.251 1.00 43.31 H new ATOM 0 HG23 VAL A 52 -8.012 -2.415 -3.773 1.00 43.31 H new ATOM 807 N ASN A 53 -5.516 -4.436 -4.227 1.00 1.23 N ATOM 808 CA ASN A 53 -5.083 -4.994 -2.931 1.00 30.31 C ATOM 809 C ASN A 53 -3.588 -5.359 -2.901 1.00 12.34 C ATOM 810 O ASN A 53 -3.171 -6.203 -2.110 1.00 54.51 O ATOM 811 CB ASN A 53 -5.939 -6.219 -2.579 1.00 43.10 C ATOM 812 CG ASN A 53 -7.198 -5.832 -1.831 1.00 41.34 C ATOM 813 OD1 ASN A 53 -7.299 -6.014 -0.623 1.00 52.04 O ATOM 814 ND2 ASN A 53 -8.147 -5.239 -2.524 1.00 41.11 N ATOM 0 H ASN A 53 -5.714 -5.137 -4.941 1.00 1.23 H new ATOM 0 HA ASN A 53 -5.226 -4.214 -2.184 1.00 30.31 H new ATOM 0 HB2 ASN A 53 -6.208 -6.749 -3.493 1.00 43.10 H new ATOM 0 HB3 ASN A 53 -5.353 -6.909 -1.971 1.00 43.10 H new ATOM 0 HD21 ASN A 53 -8.995 -4.917 -2.057 1.00 41.11 H new ATOM 0 HD22 ASN A 53 -8.035 -5.101 -3.528 1.00 41.11 H new ATOM 821 N TYR A 54 -2.776 -4.703 -3.725 1.00 42.22 N ATOM 822 CA TYR A 54 -1.327 -4.954 -3.727 1.00 14.11 C ATOM 823 C TYR A 54 -0.530 -3.682 -4.045 1.00 31.54 C ATOM 824 O TYR A 54 -1.055 -2.737 -4.632 1.00 13.41 O ATOM 825 CB TYR A 54 -0.965 -6.070 -4.722 1.00 34.40 C ATOM 826 CG TYR A 54 -1.242 -5.735 -6.179 1.00 45.10 C ATOM 827 CD1 TYR A 54 -0.276 -5.118 -6.970 1.00 61.22 C ATOM 828 CD2 TYR A 54 -2.465 -6.044 -6.765 1.00 12.41 C ATOM 829 CE1 TYR A 54 -0.523 -4.820 -8.297 1.00 61.13 C ATOM 830 CE2 TYR A 54 -2.716 -5.749 -8.090 1.00 64.00 C ATOM 831 CZ TYR A 54 -1.744 -5.137 -8.852 1.00 43.43 C ATOM 832 OH TYR A 54 -1.993 -4.846 -10.175 1.00 14.31 O ATOM 0 H TYR A 54 -3.086 -4.000 -4.395 1.00 42.22 H new ATOM 0 HA TYR A 54 -1.055 -5.277 -2.722 1.00 14.11 H new ATOM 0 HB2 TYR A 54 0.093 -6.307 -4.612 1.00 34.40 H new ATOM 0 HB3 TYR A 54 -1.522 -6.969 -4.458 1.00 34.40 H new ATOM 0 HD1 TYR A 54 0.682 -4.868 -6.539 1.00 61.22 H new ATOM 0 HD2 TYR A 54 -3.231 -6.523 -6.173 1.00 12.41 H new ATOM 0 HE1 TYR A 54 0.237 -4.341 -8.896 1.00 61.13 H new ATOM 0 HE2 TYR A 54 -3.671 -5.997 -8.528 1.00 64.00 H new ATOM 0 HH TYR A 54 -2.900 -5.135 -10.409 1.00 14.31 H new ATOM 842 N ALA A 55 0.741 -3.669 -3.652 1.00 51.41 N ATOM 843 CA ALA A 55 1.624 -2.528 -3.913 1.00 10.55 C ATOM 844 C ALA A 55 2.946 -2.975 -4.555 1.00 34.31 C ATOM 845 O ALA A 55 3.518 -3.999 -4.173 1.00 61.54 O ATOM 846 CB ALA A 55 1.899 -1.777 -2.616 1.00 22.12 C ATOM 0 H ALA A 55 1.187 -4.437 -3.150 1.00 51.41 H new ATOM 0 HA ALA A 55 1.119 -1.865 -4.616 1.00 10.55 H new ATOM 0 HB1 ALA A 55 2.556 -0.931 -2.818 1.00 22.12 H new ATOM 0 HB2 ALA A 55 0.959 -1.416 -2.199 1.00 22.12 H new ATOM 0 HB3 ALA A 55 2.379 -2.447 -1.903 1.00 22.12 H new ATOM 852 N GLU A 56 3.419 -2.204 -5.535 1.00 4.03 N ATOM 853 CA GLU A 56 4.712 -2.465 -6.180 1.00 53.13 C ATOM 854 C GLU A 56 5.856 -1.776 -5.417 1.00 24.51 C ATOM 855 O GLU A 56 5.954 -0.546 -5.385 1.00 71.11 O ATOM 856 CB GLU A 56 4.694 -2.004 -7.649 1.00 61.54 C ATOM 857 CG GLU A 56 3.685 -2.753 -8.517 1.00 33.44 C ATOM 858 CD GLU A 56 3.831 -2.451 -10.003 1.00 14.25 C ATOM 859 OE1 GLU A 56 4.885 -2.793 -10.584 1.00 31.12 O ATOM 860 OE2 GLU A 56 2.891 -1.889 -10.605 1.00 12.53 O ATOM 0 H GLU A 56 2.926 -1.390 -5.902 1.00 4.03 H new ATOM 0 HA GLU A 56 4.885 -3.541 -6.158 1.00 53.13 H new ATOM 0 HB2 GLU A 56 4.468 -0.938 -7.683 1.00 61.54 H new ATOM 0 HB3 GLU A 56 5.690 -2.132 -8.073 1.00 61.54 H new ATOM 0 HG2 GLU A 56 3.803 -3.825 -8.357 1.00 33.44 H new ATOM 0 HG3 GLU A 56 2.676 -2.492 -8.197 1.00 33.44 H new ATOM 867 N ILE A 57 6.721 -2.591 -4.822 1.00 75.14 N ATOM 868 CA ILE A 57 7.767 -2.121 -3.909 1.00 33.01 C ATOM 869 C ILE A 57 9.171 -2.318 -4.507 1.00 12.12 C ATOM 870 O ILE A 57 9.398 -3.235 -5.299 1.00 62.41 O ATOM 871 CB ILE A 57 7.663 -2.890 -2.569 1.00 74.40 C ATOM 872 CG1 ILE A 57 6.223 -2.803 -2.029 1.00 14.02 C ATOM 873 CG2 ILE A 57 8.662 -2.353 -1.542 1.00 64.31 C ATOM 874 CD1 ILE A 57 5.904 -3.840 -0.978 1.00 45.00 C ATOM 0 H ILE A 57 6.719 -3.602 -4.958 1.00 75.14 H new ATOM 0 HA ILE A 57 7.618 -1.054 -3.744 1.00 33.01 H new ATOM 0 HB ILE A 57 7.911 -3.936 -2.750 1.00 74.40 H new ATOM 0 HG12 ILE A 57 6.062 -1.811 -1.608 1.00 14.02 H new ATOM 0 HG13 ILE A 57 5.526 -2.914 -2.859 1.00 14.02 H new ATOM 0 HG21 ILE A 57 8.564 -2.913 -0.612 1.00 64.31 H new ATOM 0 HG22 ILE A 57 9.675 -2.464 -1.928 1.00 64.31 H new ATOM 0 HG23 ILE A 57 8.459 -1.299 -1.354 1.00 64.31 H new ATOM 0 HD11 ILE A 57 4.873 -3.716 -0.646 1.00 45.00 H new ATOM 0 HD12 ILE A 57 6.032 -4.837 -1.400 1.00 45.00 H new ATOM 0 HD13 ILE A 57 6.576 -3.716 -0.129 1.00 45.00 H new ATOM 886 N ASN A 58 10.106 -1.454 -4.123 1.00 43.22 N ATOM 887 CA ASN A 58 11.490 -1.538 -4.606 1.00 51.22 C ATOM 888 C ASN A 58 12.220 -2.731 -3.976 1.00 14.13 C ATOM 889 O ASN A 58 12.134 -2.935 -2.772 1.00 72.03 O ATOM 890 CB ASN A 58 12.243 -0.253 -4.260 1.00 40.13 C ATOM 891 CG ASN A 58 11.363 0.969 -4.378 1.00 62.30 C ATOM 892 OD1 ASN A 58 10.767 1.419 -3.405 1.00 2.14 O ATOM 893 ND2 ASN A 58 11.247 1.497 -5.568 1.00 34.42 N ATOM 0 H ASN A 58 9.934 -0.684 -3.477 1.00 43.22 H new ATOM 0 HA ASN A 58 11.461 -1.672 -5.687 1.00 51.22 H new ATOM 0 HB2 ASN A 58 12.631 -0.323 -3.244 1.00 40.13 H new ATOM 0 HB3 ASN A 58 13.102 -0.147 -4.923 1.00 40.13 H new ATOM 0 HD21 ASN A 58 10.646 2.309 -5.709 1.00 34.42 H new ATOM 0 HD22 ASN A 58 11.757 1.097 -6.355 1.00 34.42 H new ATOM 900 N GLU A 59 12.956 -3.495 -4.781 1.00 54.41 N ATOM 901 CA GLU A 59 13.681 -4.675 -4.282 1.00 11.30 C ATOM 902 C GLU A 59 14.610 -4.343 -3.093 1.00 51.41 C ATOM 903 O GLU A 59 14.711 -5.112 -2.138 1.00 53.14 O ATOM 904 CB GLU A 59 14.487 -5.318 -5.414 1.00 4.31 C ATOM 905 CG GLU A 59 15.319 -6.515 -4.965 1.00 5.15 C ATOM 906 CD GLU A 59 15.946 -7.271 -6.123 1.00 61.12 C ATOM 907 OE1 GLU A 59 17.049 -6.888 -6.562 1.00 35.10 O ATOM 908 OE2 GLU A 59 15.341 -8.256 -6.594 1.00 42.24 O ATOM 0 H GLU A 59 13.070 -3.323 -5.780 1.00 54.41 H new ATOM 0 HA GLU A 59 12.932 -5.378 -3.918 1.00 11.30 H new ATOM 0 HB2 GLU A 59 13.803 -5.636 -6.201 1.00 4.31 H new ATOM 0 HB3 GLU A 59 15.148 -4.569 -5.849 1.00 4.31 H new ATOM 0 HG2 GLU A 59 16.106 -6.172 -4.294 1.00 5.15 H new ATOM 0 HG3 GLU A 59 14.687 -7.195 -4.394 1.00 5.15 H new ATOM 915 N GLU A 60 15.288 -3.201 -3.157 1.00 33.24 N ATOM 916 CA GLU A 60 16.197 -2.777 -2.079 1.00 24.11 C ATOM 917 C GLU A 60 15.458 -2.516 -0.751 1.00 55.24 C ATOM 918 O GLU A 60 15.868 -3.018 0.298 1.00 32.13 O ATOM 919 CB GLU A 60 16.981 -1.535 -2.514 1.00 23.41 C ATOM 920 CG GLU A 60 18.075 -1.836 -3.533 1.00 35.41 C ATOM 921 CD GLU A 60 19.230 -2.629 -2.931 1.00 60.10 C ATOM 922 OE1 GLU A 60 19.135 -3.876 -2.853 1.00 4.52 O ATOM 923 OE2 GLU A 60 20.232 -2.007 -2.521 1.00 54.42 O ATOM 0 H GLU A 60 15.230 -2.549 -3.939 1.00 33.24 H new ATOM 0 HA GLU A 60 16.890 -3.598 -1.895 1.00 24.11 H new ATOM 0 HB2 GLU A 60 16.289 -0.808 -2.939 1.00 23.41 H new ATOM 0 HB3 GLU A 60 17.430 -1.072 -1.636 1.00 23.41 H new ATOM 0 HG2 GLU A 60 17.648 -2.396 -4.365 1.00 35.41 H new ATOM 0 HG3 GLU A 60 18.455 -0.899 -3.941 1.00 35.41 H new ATOM 930 N ASP A 61 14.377 -1.737 -0.792 1.00 52.02 N ATOM 931 CA ASP A 61 13.574 -1.478 0.413 1.00 71.33 C ATOM 932 C ASP A 61 12.809 -2.750 0.829 1.00 12.43 C ATOM 933 O ASP A 61 12.531 -2.981 2.006 1.00 42.20 O ATOM 934 CB ASP A 61 12.609 -0.312 0.164 1.00 32.05 C ATOM 935 CG ASP A 61 13.324 0.918 -0.379 1.00 15.34 C ATOM 936 OD1 ASP A 61 13.986 1.634 0.403 1.00 33.21 O ATOM 937 OD2 ASP A 61 13.248 1.162 -1.595 1.00 51.03 O ATOM 0 H ASP A 61 14.036 -1.276 -1.636 1.00 52.02 H new ATOM 0 HA ASP A 61 14.240 -1.201 1.230 1.00 71.33 H new ATOM 0 HB2 ASP A 61 11.839 -0.624 -0.541 1.00 32.05 H new ATOM 0 HB3 ASP A 61 12.103 -0.055 1.095 1.00 32.05 H new ATOM 942 N TRP A 62 12.491 -3.569 -0.167 1.00 62.20 N ATOM 943 CA TRP A 62 11.915 -4.906 0.027 1.00 32.23 C ATOM 944 C TRP A 62 12.821 -5.753 0.933 1.00 4.42 C ATOM 945 O TRP A 62 12.359 -6.392 1.883 1.00 73.23 O ATOM 946 CB TRP A 62 11.758 -5.555 -1.356 1.00 75.51 C ATOM 947 CG TRP A 62 11.209 -6.952 -1.380 1.00 45.13 C ATOM 948 CD1 TRP A 62 11.897 -8.115 -1.179 1.00 22.33 C ATOM 949 CD2 TRP A 62 9.863 -7.332 -1.681 1.00 73.25 C ATOM 950 NE1 TRP A 62 11.058 -9.188 -1.326 1.00 45.33 N ATOM 951 CE2 TRP A 62 9.804 -8.736 -1.629 1.00 75.23 C ATOM 952 CE3 TRP A 62 8.698 -6.621 -1.977 1.00 33.32 C ATOM 953 CZ2 TRP A 62 8.631 -9.440 -1.872 1.00 35.15 C ATOM 954 CZ3 TRP A 62 7.534 -7.321 -2.213 1.00 42.30 C ATOM 955 CH2 TRP A 62 7.506 -8.720 -2.158 1.00 14.32 C ATOM 0 H TRP A 62 12.626 -3.325 -1.148 1.00 62.20 H new ATOM 0 HA TRP A 62 10.943 -4.836 0.516 1.00 32.23 H new ATOM 0 HB2 TRP A 62 11.107 -4.922 -1.958 1.00 75.51 H new ATOM 0 HB3 TRP A 62 12.734 -5.563 -1.842 1.00 75.51 H new ATOM 0 HD1 TRP A 62 12.948 -8.179 -0.939 1.00 22.33 H new ATOM 0 HE1 TRP A 62 11.326 -10.167 -1.225 1.00 45.33 H new ATOM 0 HE3 TRP A 62 8.709 -5.542 -2.020 1.00 33.32 H new ATOM 0 HZ2 TRP A 62 8.609 -10.519 -1.836 1.00 35.15 H new ATOM 0 HZ3 TRP A 62 6.628 -6.781 -2.444 1.00 42.30 H new ATOM 0 HH2 TRP A 62 6.578 -9.239 -2.345 1.00 14.32 H new ATOM 966 N ASN A 63 14.119 -5.745 0.628 1.00 13.04 N ATOM 967 CA ASN A 63 15.122 -6.415 1.461 1.00 61.00 C ATOM 968 C ASN A 63 15.221 -5.753 2.846 1.00 22.12 C ATOM 969 O ASN A 63 15.323 -6.438 3.868 1.00 30.00 O ATOM 970 CB ASN A 63 16.492 -6.375 0.775 1.00 33.53 C ATOM 971 CG ASN A 63 16.510 -7.123 -0.545 1.00 21.40 C ATOM 972 OD1 ASN A 63 15.800 -8.107 -0.729 1.00 33.15 O ATOM 973 ND2 ASN A 63 17.326 -6.667 -1.474 1.00 4.31 N ATOM 0 H ASN A 63 14.503 -5.280 -0.194 1.00 13.04 H new ATOM 0 HA ASN A 63 14.811 -7.451 1.592 1.00 61.00 H new ATOM 0 HB2 ASN A 63 16.777 -5.337 0.603 1.00 33.53 H new ATOM 0 HB3 ASN A 63 17.240 -6.805 1.441 1.00 33.53 H new ATOM 0 HD21 ASN A 63 17.381 -7.135 -2.379 1.00 4.31 H new ATOM 0 HD22 ASN A 63 17.903 -5.846 -1.288 1.00 4.31 H new ATOM 980 N ALA A 64 15.180 -4.418 2.865 1.00 34.10 N ATOM 981 CA ALA A 64 15.245 -3.648 4.117 1.00 73.14 C ATOM 982 C ALA A 64 14.127 -4.048 5.097 1.00 13.23 C ATOM 983 O ALA A 64 14.346 -4.126 6.309 1.00 15.02 O ATOM 984 CB ALA A 64 15.178 -2.153 3.817 1.00 40.52 C ATOM 0 H ALA A 64 15.102 -3.843 2.026 1.00 34.10 H new ATOM 0 HA ALA A 64 16.196 -3.877 4.597 1.00 73.14 H new ATOM 0 HB1 ALA A 64 15.227 -1.592 4.750 1.00 40.52 H new ATOM 0 HB2 ALA A 64 16.017 -1.872 3.180 1.00 40.52 H new ATOM 0 HB3 ALA A 64 14.242 -1.926 3.306 1.00 40.52 H new ATOM 990 N LEU A 65 12.933 -4.293 4.560 1.00 42.12 N ATOM 991 CA LEU A 65 11.785 -4.738 5.362 1.00 62.21 C ATOM 992 C LEU A 65 11.743 -6.271 5.498 1.00 1.14 C ATOM 993 O LEU A 65 10.991 -6.809 6.313 1.00 15.24 O ATOM 994 CB LEU A 65 10.481 -4.240 4.722 1.00 24.42 C ATOM 995 CG LEU A 65 10.303 -2.713 4.696 1.00 14.44 C ATOM 996 CD1 LEU A 65 9.076 -2.324 3.876 1.00 74.43 C ATOM 997 CD2 LEU A 65 10.195 -2.164 6.118 1.00 2.22 C ATOM 0 H LEU A 65 12.731 -4.191 3.566 1.00 42.12 H new ATOM 0 HA LEU A 65 11.894 -4.317 6.361 1.00 62.21 H new ATOM 0 HB2 LEU A 65 10.433 -4.612 3.699 1.00 24.42 H new ATOM 0 HB3 LEU A 65 9.641 -4.678 5.261 1.00 24.42 H new ATOM 0 HG LEU A 65 11.181 -2.275 4.221 1.00 14.44 H new ATOM 0 HD11 LEU A 65 8.970 -1.239 3.872 1.00 74.43 H new ATOM 0 HD12 LEU A 65 9.194 -2.681 2.853 1.00 74.43 H new ATOM 0 HD13 LEU A 65 8.186 -2.774 4.317 1.00 74.43 H new ATOM 0 HD21 LEU A 65 10.069 -1.082 6.082 1.00 2.22 H new ATOM 0 HD22 LEU A 65 9.336 -2.612 6.617 1.00 2.22 H new ATOM 0 HD23 LEU A 65 11.103 -2.406 6.671 1.00 2.22 H new ATOM 1009 N GLY A 66 12.548 -6.967 4.695 1.00 21.44 N ATOM 1010 CA GLY A 66 12.553 -8.428 4.710 1.00 3.41 C ATOM 1011 C GLY A 66 11.237 -9.025 4.220 1.00 23.21 C ATOM 1012 O GLY A 66 10.647 -9.888 4.879 1.00 53.31 O ATOM 0 H GLY A 66 13.199 -6.547 4.032 1.00 21.44 H new ATOM 0 HA2 GLY A 66 13.368 -8.791 4.084 1.00 3.41 H new ATOM 0 HA3 GLY A 66 12.751 -8.776 5.724 1.00 3.41 H new ATOM 1016 N LEU A 67 10.780 -8.567 3.061 1.00 62.40 N ATOM 1017 CA LEU A 67 9.488 -8.988 2.513 1.00 33.12 C ATOM 1018 C LEU A 67 9.602 -10.253 1.643 1.00 3.40 C ATOM 1019 O LEU A 67 10.662 -10.567 1.101 1.00 72.51 O ATOM 1020 CB LEU A 67 8.883 -7.846 1.686 1.00 64.23 C ATOM 1021 CG LEU A 67 8.621 -6.543 2.456 1.00 51.15 C ATOM 1022 CD1 LEU A 67 8.153 -5.438 1.512 1.00 63.22 C ATOM 1023 CD2 LEU A 67 7.600 -6.771 3.569 1.00 4.22 C ATOM 0 H LEU A 67 11.285 -7.900 2.477 1.00 62.40 H new ATOM 0 HA LEU A 67 8.840 -9.230 3.355 1.00 33.12 H new ATOM 0 HB2 LEU A 67 9.553 -7.628 0.854 1.00 64.23 H new ATOM 0 HB3 LEU A 67 7.942 -8.190 1.256 1.00 64.23 H new ATOM 0 HG LEU A 67 9.558 -6.224 2.912 1.00 51.15 H new ATOM 0 HD11 LEU A 67 7.974 -4.525 2.081 1.00 63.22 H new ATOM 0 HD12 LEU A 67 8.920 -5.253 0.760 1.00 63.22 H new ATOM 0 HD13 LEU A 67 7.230 -5.746 1.020 1.00 63.22 H new ATOM 0 HD21 LEU A 67 7.428 -5.836 4.102 1.00 4.22 H new ATOM 0 HD22 LEU A 67 6.662 -7.120 3.137 1.00 4.22 H new ATOM 0 HD23 LEU A 67 7.980 -7.520 4.263 1.00 4.22 H new ATOM 1035 N GLN A 68 8.497 -10.978 1.538 1.00 12.53 N ATOM 1036 CA GLN A 68 8.377 -12.133 0.658 1.00 51.31 C ATOM 1037 C GLN A 68 7.141 -11.969 -0.237 1.00 53.33 C ATOM 1038 O GLN A 68 6.187 -11.287 0.139 1.00 74.44 O ATOM 1039 CB GLN A 68 8.293 -13.411 1.507 1.00 12.21 C ATOM 1040 CG GLN A 68 8.185 -14.704 0.705 1.00 51.32 C ATOM 1041 CD GLN A 68 6.762 -15.239 0.593 1.00 22.50 C ATOM 1042 OE1 GLN A 68 5.791 -14.495 0.624 1.00 22.45 O ATOM 1043 NE2 GLN A 68 6.633 -16.540 0.445 1.00 14.21 N ATOM 0 H GLN A 68 7.648 -10.779 2.068 1.00 12.53 H new ATOM 0 HA GLN A 68 9.252 -12.209 0.013 1.00 51.31 H new ATOM 0 HB2 GLN A 68 9.176 -13.467 2.143 1.00 12.21 H new ATOM 0 HB3 GLN A 68 7.429 -13.336 2.167 1.00 12.21 H new ATOM 0 HG2 GLN A 68 8.580 -14.534 -0.297 1.00 51.32 H new ATOM 0 HG3 GLN A 68 8.814 -15.463 1.170 1.00 51.32 H new ATOM 0 HE21 GLN A 68 7.461 -17.135 0.423 1.00 14.21 H new ATOM 0 HE22 GLN A 68 5.705 -16.953 0.352 1.00 14.21 H new ATOM 1052 N GLU A 69 7.168 -12.561 -1.424 1.00 64.12 N ATOM 1053 CA GLU A 69 6.077 -12.391 -2.387 1.00 45.40 C ATOM 1054 C GLU A 69 4.759 -12.962 -1.858 1.00 61.33 C ATOM 1055 O GLU A 69 4.508 -14.171 -1.918 1.00 75.04 O ATOM 1056 CB GLU A 69 6.439 -13.011 -3.740 1.00 31.12 C ATOM 1057 CG GLU A 69 7.647 -12.345 -4.391 1.00 2.32 C ATOM 1058 CD GLU A 69 8.974 -13.009 -4.035 1.00 73.54 C ATOM 1059 OE1 GLU A 69 9.441 -12.856 -2.886 1.00 54.24 O ATOM 1060 OE2 GLU A 69 9.558 -13.686 -4.904 1.00 21.44 O ATOM 0 H GLU A 69 7.927 -13.161 -1.746 1.00 64.12 H new ATOM 0 HA GLU A 69 5.933 -11.320 -2.530 1.00 45.40 H new ATOM 0 HB2 GLU A 69 6.644 -14.073 -3.605 1.00 31.12 H new ATOM 0 HB3 GLU A 69 5.583 -12.935 -4.410 1.00 31.12 H new ATOM 0 HG2 GLU A 69 7.521 -12.361 -5.474 1.00 2.32 H new ATOM 0 HG3 GLU A 69 7.681 -11.298 -4.089 1.00 2.32 H new ATOM 1067 N GLY A 70 3.929 -12.070 -1.334 1.00 44.13 N ATOM 1068 CA GLY A 70 2.674 -12.472 -0.705 1.00 3.25 C ATOM 1069 C GLY A 70 2.501 -11.894 0.699 1.00 51.34 C ATOM 1070 O GLY A 70 1.389 -11.863 1.229 1.00 20.31 O ATOM 0 H GLY A 70 4.100 -11.064 -1.331 1.00 44.13 H new ATOM 0 HA2 GLY A 70 1.841 -12.151 -1.330 1.00 3.25 H new ATOM 0 HA3 GLY A 70 2.632 -13.560 -0.652 1.00 3.25 H new ATOM 1074 N ASP A 71 3.602 -11.441 1.304 1.00 73.44 N ATOM 1075 CA ASP A 71 3.560 -10.817 2.638 1.00 61.10 C ATOM 1076 C ASP A 71 2.603 -9.613 2.688 1.00 43.33 C ATOM 1077 O ASP A 71 2.326 -8.973 1.673 1.00 24.32 O ATOM 1078 CB ASP A 71 4.963 -10.368 3.082 1.00 1.23 C ATOM 1079 CG ASP A 71 5.803 -11.486 3.683 1.00 12.51 C ATOM 1080 OD1 ASP A 71 5.246 -12.537 4.061 1.00 60.44 O ATOM 1081 OD2 ASP A 71 7.030 -11.299 3.810 1.00 3.44 O ATOM 0 H ASP A 71 4.535 -11.493 0.895 1.00 73.44 H new ATOM 0 HA ASP A 71 3.187 -11.579 3.322 1.00 61.10 H new ATOM 0 HB2 ASP A 71 5.490 -9.951 2.224 1.00 1.23 H new ATOM 0 HB3 ASP A 71 4.863 -9.567 3.814 1.00 1.23 H new ATOM 1086 N ARG A 72 2.117 -9.310 3.890 1.00 42.51 N ATOM 1087 CA ARG A 72 1.221 -8.172 4.108 1.00 51.14 C ATOM 1088 C ARG A 72 2.014 -6.936 4.552 1.00 55.03 C ATOM 1089 O ARG A 72 2.735 -6.972 5.554 1.00 33.34 O ATOM 1090 CB ARG A 72 0.148 -8.505 5.164 1.00 40.25 C ATOM 1091 CG ARG A 72 -0.897 -9.531 4.719 1.00 54.14 C ATOM 1092 CD ARG A 72 -0.308 -10.926 4.534 1.00 53.22 C ATOM 1093 NE ARG A 72 -1.330 -11.925 4.211 1.00 65.45 N ATOM 1094 CZ ARG A 72 -1.106 -13.010 3.514 1.00 25.44 C ATOM 1095 NH1 ARG A 72 0.054 -13.234 2.992 1.00 73.53 N ATOM 1096 NH2 ARG A 72 -2.052 -13.870 3.329 1.00 65.04 N ATOM 0 H ARG A 72 2.330 -9.840 4.735 1.00 42.51 H new ATOM 0 HA ARG A 72 0.725 -7.957 3.162 1.00 51.14 H new ATOM 0 HB2 ARG A 72 0.644 -8.878 6.060 1.00 40.25 H new ATOM 0 HB3 ARG A 72 -0.364 -7.584 5.444 1.00 40.25 H new ATOM 0 HG2 ARG A 72 -1.697 -9.573 5.458 1.00 54.14 H new ATOM 0 HG3 ARG A 72 -1.346 -9.203 3.782 1.00 54.14 H new ATOM 0 HD2 ARG A 72 0.436 -10.901 3.738 1.00 53.22 H new ATOM 0 HD3 ARG A 72 0.211 -11.222 5.446 1.00 53.22 H new ATOM 0 HE ARG A 72 -2.278 -11.764 4.552 1.00 65.45 H new ATOM 0 HH11 ARG A 72 0.810 -12.561 3.121 1.00 73.53 H new ATOM 0 HH12 ARG A 72 0.214 -14.084 2.451 1.00 73.53 H new ATOM 0 HH21 ARG A 72 -2.977 -13.704 3.727 1.00 65.04 H new ATOM 0 HH22 ARG A 72 -1.874 -14.715 2.785 1.00 65.04 H new ATOM 1110 N VAL A 73 1.881 -5.848 3.804 1.00 10.41 N ATOM 1111 CA VAL A 73 2.560 -4.592 4.129 1.00 62.41 C ATOM 1112 C VAL A 73 1.556 -3.480 4.443 1.00 64.11 C ATOM 1113 O VAL A 73 0.457 -3.443 3.890 1.00 51.14 O ATOM 1114 CB VAL A 73 3.487 -4.125 2.978 1.00 32.53 C ATOM 1115 CG1 VAL A 73 4.637 -5.106 2.785 1.00 74.51 C ATOM 1116 CG2 VAL A 73 2.702 -3.943 1.677 1.00 3.02 C ATOM 0 H VAL A 73 1.306 -5.807 2.962 1.00 10.41 H new ATOM 0 HA VAL A 73 3.167 -4.790 5.013 1.00 62.41 H new ATOM 0 HB VAL A 73 3.905 -3.156 3.253 1.00 32.53 H new ATOM 0 HG11 VAL A 73 5.277 -4.761 1.973 1.00 74.51 H new ATOM 0 HG12 VAL A 73 5.220 -5.169 3.704 1.00 74.51 H new ATOM 0 HG13 VAL A 73 4.238 -6.090 2.540 1.00 74.51 H new ATOM 0 HG21 VAL A 73 3.378 -3.615 0.887 1.00 3.02 H new ATOM 0 HG22 VAL A 73 2.244 -4.890 1.393 1.00 3.02 H new ATOM 0 HG23 VAL A 73 1.924 -3.194 1.823 1.00 3.02 H new ATOM 1126 N LYS A 74 1.932 -2.579 5.340 1.00 53.24 N ATOM 1127 CA LYS A 74 1.096 -1.425 5.661 1.00 15.04 C ATOM 1128 C LYS A 74 1.779 -0.118 5.239 1.00 44.50 C ATOM 1129 O LYS A 74 2.984 0.065 5.418 1.00 65.35 O ATOM 1130 CB LYS A 74 0.731 -1.403 7.155 1.00 72.20 C ATOM 1131 CG LYS A 74 -0.124 -0.199 7.553 1.00 43.14 C ATOM 1132 CD LYS A 74 -0.948 -0.437 8.822 1.00 55.45 C ATOM 1133 CE LYS A 74 -0.102 -0.882 10.013 1.00 3.14 C ATOM 1134 NZ LYS A 74 0.008 -2.358 10.126 1.00 21.32 N ATOM 0 H LYS A 74 2.809 -2.623 5.859 1.00 53.24 H new ATOM 0 HA LYS A 74 0.169 -1.516 5.095 1.00 15.04 H new ATOM 0 HB2 LYS A 74 0.195 -2.319 7.404 1.00 72.20 H new ATOM 0 HB3 LYS A 74 1.647 -1.400 7.745 1.00 72.20 H new ATOM 0 HG2 LYS A 74 0.524 0.664 7.705 1.00 43.14 H new ATOM 0 HG3 LYS A 74 -0.797 0.048 6.732 1.00 43.14 H new ATOM 0 HD2 LYS A 74 -1.476 0.480 9.082 1.00 55.45 H new ATOM 0 HD3 LYS A 74 -1.705 -1.194 8.619 1.00 55.45 H new ATOM 0 HE2 LYS A 74 0.897 -0.454 9.922 1.00 3.14 H new ATOM 0 HE3 LYS A 74 -0.537 -0.484 10.930 1.00 3.14 H new ATOM 0 HZ1 LYS A 74 0.460 -2.604 11.030 1.00 21.32 H new ATOM 0 HZ2 LYS A 74 -0.941 -2.781 10.088 1.00 21.32 H new ATOM 0 HZ3 LYS A 74 0.582 -2.724 9.340 1.00 21.32 H new ATOM 1148 N VAL A 75 0.986 0.784 4.680 1.00 25.54 N ATOM 1149 CA VAL A 75 1.478 2.048 4.134 1.00 5.54 C ATOM 1150 C VAL A 75 0.874 3.215 4.914 1.00 41.24 C ATOM 1151 O VAL A 75 -0.326 3.228 5.185 1.00 60.03 O ATOM 1152 CB VAL A 75 1.122 2.191 2.629 1.00 22.03 C ATOM 1153 CG1 VAL A 75 1.651 3.506 2.060 1.00 73.22 C ATOM 1154 CG2 VAL A 75 1.657 1.002 1.831 1.00 51.45 C ATOM 0 H VAL A 75 -0.023 0.663 4.590 1.00 25.54 H new ATOM 0 HA VAL A 75 2.564 2.058 4.230 1.00 5.54 H new ATOM 0 HB VAL A 75 0.036 2.201 2.542 1.00 22.03 H new ATOM 0 HG11 VAL A 75 1.387 3.578 1.005 1.00 73.22 H new ATOM 0 HG12 VAL A 75 1.209 4.341 2.603 1.00 73.22 H new ATOM 0 HG13 VAL A 75 2.735 3.538 2.165 1.00 73.22 H new ATOM 0 HG21 VAL A 75 1.396 1.123 0.780 1.00 51.45 H new ATOM 0 HG22 VAL A 75 2.741 0.954 1.933 1.00 51.45 H new ATOM 0 HG23 VAL A 75 1.215 0.081 2.211 1.00 51.45 H new ATOM 1164 N LYS A 76 1.701 4.185 5.280 1.00 14.24 N ATOM 1165 CA LYS A 76 1.274 5.269 6.169 1.00 13.14 C ATOM 1166 C LYS A 76 1.709 6.646 5.656 1.00 70.44 C ATOM 1167 O LYS A 76 2.892 6.892 5.422 1.00 1.21 O ATOM 1168 CB LYS A 76 1.851 5.024 7.568 1.00 51.13 C ATOM 1169 CG LYS A 76 1.202 3.852 8.305 1.00 52.32 C ATOM 1170 CD LYS A 76 2.197 3.122 9.198 1.00 15.32 C ATOM 1171 CE LYS A 76 1.494 2.317 10.286 1.00 53.42 C ATOM 1172 NZ LYS A 76 2.443 1.781 11.300 1.00 2.50 N ATOM 0 H LYS A 76 2.673 4.248 4.977 1.00 14.24 H new ATOM 0 HA LYS A 76 0.184 5.270 6.202 1.00 13.14 H new ATOM 0 HB2 LYS A 76 2.922 4.839 7.482 1.00 51.13 H new ATOM 0 HB3 LYS A 76 1.730 5.928 8.164 1.00 51.13 H new ATOM 0 HG2 LYS A 76 0.372 4.218 8.910 1.00 52.32 H new ATOM 0 HG3 LYS A 76 0.784 3.153 7.580 1.00 52.32 H new ATOM 0 HD2 LYS A 76 2.810 2.456 8.591 1.00 15.32 H new ATOM 0 HD3 LYS A 76 2.871 3.844 9.658 1.00 15.32 H new ATOM 0 HE2 LYS A 76 0.756 2.948 10.781 1.00 53.42 H new ATOM 0 HE3 LYS A 76 0.951 1.490 9.828 1.00 53.42 H new ATOM 0 HZ1 LYS A 76 2.192 0.797 11.524 1.00 2.50 H new ATOM 0 HZ2 LYS A 76 3.411 1.814 10.921 1.00 2.50 H new ATOM 0 HZ3 LYS A 76 2.390 2.357 12.164 1.00 2.50 H new ATOM 1186 N THR A 77 0.743 7.537 5.479 1.00 32.44 N ATOM 1187 CA THR A 77 1.017 8.933 5.105 1.00 12.24 C ATOM 1188 C THR A 77 0.349 9.897 6.087 1.00 70.41 C ATOM 1189 O THR A 77 -0.194 9.479 7.113 1.00 42.15 O ATOM 1190 CB THR A 77 0.504 9.268 3.683 1.00 12.32 C ATOM 1191 OG1 THR A 77 -0.932 9.252 3.662 1.00 12.12 O ATOM 1192 CG2 THR A 77 1.049 8.285 2.649 1.00 55.30 C ATOM 0 H THR A 77 -0.248 7.323 5.588 1.00 32.44 H new ATOM 0 HA THR A 77 2.100 9.049 5.130 1.00 12.24 H new ATOM 0 HB THR A 77 0.861 10.265 3.424 1.00 12.32 H new ATOM 0 HG1 THR A 77 -1.247 9.372 2.742 1.00 12.12 H new ATOM 0 HG21 THR A 77 0.670 8.548 1.662 1.00 55.30 H new ATOM 0 HG22 THR A 77 2.138 8.330 2.643 1.00 55.30 H new ATOM 0 HG23 THR A 77 0.729 7.275 2.903 1.00 55.30 H new ATOM 1200 N GLU A 78 0.385 11.191 5.774 1.00 14.34 N ATOM 1201 CA GLU A 78 -0.298 12.196 6.593 1.00 74.24 C ATOM 1202 C GLU A 78 -1.823 12.117 6.411 1.00 62.54 C ATOM 1203 O GLU A 78 -2.581 12.677 7.200 1.00 24.41 O ATOM 1204 CB GLU A 78 0.215 13.603 6.250 1.00 12.42 C ATOM 1205 CG GLU A 78 0.031 13.995 4.786 1.00 3.24 C ATOM 1206 CD GLU A 78 0.666 15.339 4.464 1.00 24.22 C ATOM 1207 OE1 GLU A 78 0.033 16.381 4.732 1.00 53.43 O ATOM 1208 OE2 GLU A 78 1.810 15.360 3.961 1.00 54.23 O ATOM 0 H GLU A 78 0.877 11.569 4.964 1.00 14.34 H new ATOM 0 HA GLU A 78 -0.075 11.988 7.640 1.00 74.24 H new ATOM 0 HB2 GLU A 78 -0.302 14.329 6.877 1.00 12.42 H new ATOM 0 HB3 GLU A 78 1.274 13.663 6.500 1.00 12.42 H new ATOM 0 HG2 GLU A 78 0.469 13.227 4.149 1.00 3.24 H new ATOM 0 HG3 GLU A 78 -1.033 14.033 4.553 1.00 3.24 H new ATOM 1215 N PHE A 79 -2.263 11.408 5.371 1.00 12.24 N ATOM 1216 CA PHE A 79 -3.693 11.223 5.106 1.00 53.52 C ATOM 1217 C PHE A 79 -4.266 10.049 5.917 1.00 72.33 C ATOM 1218 O PHE A 79 -5.263 10.199 6.625 1.00 15.02 O ATOM 1219 CB PHE A 79 -3.930 10.998 3.606 1.00 71.33 C ATOM 1220 CG PHE A 79 -3.584 12.196 2.758 1.00 44.00 C ATOM 1221 CD1 PHE A 79 -4.532 13.173 2.494 1.00 31.32 C ATOM 1222 CD2 PHE A 79 -2.312 12.345 2.221 1.00 40.33 C ATOM 1223 CE1 PHE A 79 -4.217 14.273 1.721 1.00 12.21 C ATOM 1224 CE2 PHE A 79 -1.994 13.443 1.447 1.00 1.33 C ATOM 1225 CZ PHE A 79 -2.949 14.407 1.195 1.00 45.03 C ATOM 0 H PHE A 79 -1.650 10.951 4.696 1.00 12.24 H new ATOM 0 HA PHE A 79 -4.212 12.130 5.417 1.00 53.52 H new ATOM 0 HB2 PHE A 79 -3.337 10.145 3.276 1.00 71.33 H new ATOM 0 HB3 PHE A 79 -4.977 10.739 3.446 1.00 71.33 H new ATOM 0 HD1 PHE A 79 -5.529 13.072 2.898 1.00 31.32 H new ATOM 0 HD2 PHE A 79 -1.562 11.592 2.411 1.00 40.33 H new ATOM 0 HE1 PHE A 79 -4.964 15.029 1.528 1.00 12.21 H new ATOM 0 HE2 PHE A 79 -0.999 13.547 1.039 1.00 1.33 H new ATOM 0 HZ PHE A 79 -2.704 15.265 0.587 1.00 45.03 H new ATOM 1235 N GLY A 80 -3.630 8.883 5.809 1.00 52.21 N ATOM 1236 CA GLY A 80 -4.085 7.707 6.547 1.00 71.43 C ATOM 1237 C GLY A 80 -3.135 6.518 6.425 1.00 12.42 C ATOM 1238 O GLY A 80 -1.953 6.690 6.122 1.00 70.23 O ATOM 0 H GLY A 80 -2.808 8.729 5.225 1.00 52.21 H new ATOM 0 HA2 GLY A 80 -4.198 7.967 7.599 1.00 71.43 H new ATOM 0 HA3 GLY A 80 -5.070 7.416 6.183 1.00 71.43 H new ATOM 1242 N GLU A 81 -3.638 5.313 6.692 1.00 43.03 N ATOM 1243 CA GLU A 81 -2.846 4.084 6.539 1.00 64.23 C ATOM 1244 C GLU A 81 -3.703 2.920 6.025 1.00 42.44 C ATOM 1245 O GLU A 81 -4.911 2.878 6.244 1.00 21.11 O ATOM 1246 CB GLU A 81 -2.167 3.682 7.860 1.00 53.32 C ATOM 1247 CG GLU A 81 -3.118 3.430 9.028 1.00 25.54 C ATOM 1248 CD GLU A 81 -3.751 4.705 9.559 1.00 33.41 C ATOM 1249 OE1 GLU A 81 -3.075 5.436 10.316 1.00 63.22 O ATOM 1250 OE2 GLU A 81 -4.917 4.990 9.218 1.00 23.34 O ATOM 0 H GLU A 81 -4.592 5.157 7.016 1.00 43.03 H new ATOM 0 HA GLU A 81 -2.074 4.300 5.801 1.00 64.23 H new ATOM 0 HB2 GLU A 81 -1.580 2.780 7.689 1.00 53.32 H new ATOM 0 HB3 GLU A 81 -1.467 4.468 8.145 1.00 53.32 H new ATOM 0 HG2 GLU A 81 -3.904 2.745 8.709 1.00 25.54 H new ATOM 0 HG3 GLU A 81 -2.574 2.937 9.834 1.00 25.54 H new ATOM 1257 N VAL A 82 -3.064 1.973 5.342 1.00 43.53 N ATOM 1258 CA VAL A 82 -3.770 0.827 4.759 1.00 74.32 C ATOM 1259 C VAL A 82 -2.858 -0.415 4.681 1.00 11.04 C ATOM 1260 O VAL A 82 -1.648 -0.292 4.486 1.00 53.13 O ATOM 1261 CB VAL A 82 -4.296 1.182 3.341 1.00 1.40 C ATOM 1262 CG1 VAL A 82 -3.140 1.415 2.366 1.00 4.41 C ATOM 1263 CG2 VAL A 82 -5.252 0.113 2.815 1.00 42.14 C ATOM 0 H VAL A 82 -2.057 1.974 5.177 1.00 43.53 H new ATOM 0 HA VAL A 82 -4.613 0.592 5.409 1.00 74.32 H new ATOM 0 HB VAL A 82 -4.857 2.113 3.423 1.00 1.40 H new ATOM 0 HG11 VAL A 82 -3.538 1.662 1.382 1.00 4.41 H new ATOM 0 HG12 VAL A 82 -2.522 2.238 2.724 1.00 4.41 H new ATOM 0 HG13 VAL A 82 -2.535 0.511 2.296 1.00 4.41 H new ATOM 0 HG21 VAL A 82 -5.600 0.394 1.821 1.00 42.14 H new ATOM 0 HG22 VAL A 82 -4.733 -0.844 2.761 1.00 42.14 H new ATOM 0 HG23 VAL A 82 -6.105 0.025 3.487 1.00 42.14 H new ATOM 1273 N VAL A 83 -3.437 -1.606 4.857 1.00 13.14 N ATOM 1274 CA VAL A 83 -2.679 -2.866 4.757 1.00 0.03 C ATOM 1275 C VAL A 83 -3.030 -3.626 3.461 1.00 15.53 C ATOM 1276 O VAL A 83 -4.184 -4.009 3.252 1.00 54.14 O ATOM 1277 CB VAL A 83 -2.938 -3.799 5.974 1.00 34.22 C ATOM 1278 CG1 VAL A 83 -2.112 -5.080 5.867 1.00 33.20 C ATOM 1279 CG2 VAL A 83 -2.646 -3.086 7.296 1.00 1.54 C ATOM 0 H VAL A 83 -4.427 -1.729 5.069 1.00 13.14 H new ATOM 0 HA VAL A 83 -1.625 -2.590 4.745 1.00 0.03 H new ATOM 0 HB VAL A 83 -3.995 -4.067 5.961 1.00 34.22 H new ATOM 0 HG11 VAL A 83 -2.312 -5.715 6.730 1.00 33.20 H new ATOM 0 HG12 VAL A 83 -2.382 -5.612 4.955 1.00 33.20 H new ATOM 0 HG13 VAL A 83 -1.052 -4.828 5.839 1.00 33.20 H new ATOM 0 HG21 VAL A 83 -2.837 -3.766 8.126 1.00 1.54 H new ATOM 0 HG22 VAL A 83 -1.602 -2.772 7.317 1.00 1.54 H new ATOM 0 HG23 VAL A 83 -3.290 -2.211 7.388 1.00 1.54 H new ATOM 1289 N VAL A 84 -2.026 -3.837 2.604 1.00 75.24 N ATOM 1290 CA VAL A 84 -2.208 -4.533 1.314 1.00 13.33 C ATOM 1291 C VAL A 84 -1.153 -5.644 1.114 1.00 51.52 C ATOM 1292 O VAL A 84 -0.278 -5.843 1.960 1.00 2.03 O ATOM 1293 CB VAL A 84 -2.125 -3.542 0.118 1.00 75.41 C ATOM 1294 CG1 VAL A 84 -3.232 -2.490 0.192 1.00 5.15 C ATOM 1295 CG2 VAL A 84 -0.749 -2.878 0.060 1.00 1.11 C ATOM 0 H VAL A 84 -1.068 -3.534 2.778 1.00 75.24 H new ATOM 0 HA VAL A 84 -3.201 -4.983 1.343 1.00 13.33 H new ATOM 0 HB VAL A 84 -2.269 -4.113 -0.799 1.00 75.41 H new ATOM 0 HG11 VAL A 84 -3.147 -1.812 -0.657 1.00 5.15 H new ATOM 0 HG12 VAL A 84 -4.204 -2.982 0.168 1.00 5.15 H new ATOM 0 HG13 VAL A 84 -3.135 -1.924 1.119 1.00 5.15 H new ATOM 0 HG21 VAL A 84 -0.713 -2.189 -0.784 1.00 1.11 H new ATOM 0 HG22 VAL A 84 -0.571 -2.329 0.985 1.00 1.11 H new ATOM 0 HG23 VAL A 84 0.019 -3.642 -0.062 1.00 1.11 H new ATOM 1305 N PHE A 85 -1.243 -6.369 -0.003 1.00 1.11 N ATOM 1306 CA PHE A 85 -0.265 -7.421 -0.327 1.00 32.21 C ATOM 1307 C PHE A 85 1.012 -6.838 -0.957 1.00 44.32 C ATOM 1308 O PHE A 85 0.968 -5.848 -1.692 1.00 24.44 O ATOM 1309 CB PHE A 85 -0.880 -8.462 -1.272 1.00 24.43 C ATOM 1310 CG PHE A 85 -1.965 -9.301 -0.636 1.00 34.14 C ATOM 1311 CD1 PHE A 85 -1.637 -10.340 0.226 1.00 63.13 C ATOM 1312 CD2 PHE A 85 -3.306 -9.058 -0.903 1.00 3.22 C ATOM 1313 CE1 PHE A 85 -2.621 -11.114 0.807 1.00 21.53 C ATOM 1314 CE2 PHE A 85 -4.295 -9.833 -0.321 1.00 74.34 C ATOM 1315 CZ PHE A 85 -3.952 -10.862 0.533 1.00 14.45 C ATOM 0 H PHE A 85 -1.979 -6.251 -0.699 1.00 1.11 H new ATOM 0 HA PHE A 85 0.009 -7.904 0.611 1.00 32.21 H new ATOM 0 HB2 PHE A 85 -1.293 -7.950 -2.141 1.00 24.43 H new ATOM 0 HB3 PHE A 85 -0.091 -9.120 -1.635 1.00 24.43 H new ATOM 0 HD1 PHE A 85 -0.599 -10.545 0.444 1.00 63.13 H new ATOM 0 HD2 PHE A 85 -3.581 -8.256 -1.572 1.00 3.22 H new ATOM 0 HE1 PHE A 85 -2.351 -11.917 1.476 1.00 21.53 H new ATOM 0 HE2 PHE A 85 -5.334 -9.633 -0.535 1.00 74.34 H new ATOM 0 HZ PHE A 85 -4.722 -11.469 0.986 1.00 14.45 H new ATOM 1325 N ALA A 86 2.147 -7.473 -0.674 1.00 31.32 N ATOM 1326 CA ALA A 86 3.451 -6.996 -1.150 1.00 75.34 C ATOM 1327 C ALA A 86 3.879 -7.648 -2.479 1.00 43.52 C ATOM 1328 O ALA A 86 3.865 -8.874 -2.621 1.00 61.14 O ATOM 1329 CB ALA A 86 4.511 -7.248 -0.085 1.00 53.14 C ATOM 0 H ALA A 86 2.194 -8.324 -0.114 1.00 31.32 H new ATOM 0 HA ALA A 86 3.351 -5.927 -1.338 1.00 75.34 H new ATOM 0 HB1 ALA A 86 5.477 -6.893 -0.442 1.00 53.14 H new ATOM 0 HB2 ALA A 86 4.243 -6.716 0.828 1.00 53.14 H new ATOM 0 HB3 ALA A 86 4.572 -8.316 0.122 1.00 53.14 H new ATOM 1335 N LYS A 87 4.261 -6.809 -3.446 1.00 53.05 N ATOM 1336 CA LYS A 87 4.846 -7.264 -4.718 1.00 24.13 C ATOM 1337 C LYS A 87 6.068 -6.402 -5.072 1.00 65.30 C ATOM 1338 O LYS A 87 6.144 -5.244 -4.674 1.00 30.52 O ATOM 1339 CB LYS A 87 3.824 -7.167 -5.864 1.00 53.34 C ATOM 1340 CG LYS A 87 2.628 -8.092 -5.753 1.00 14.54 C ATOM 1341 CD LYS A 87 1.748 -7.939 -6.980 1.00 32.43 C ATOM 1342 CE LYS A 87 0.505 -8.796 -6.910 1.00 22.35 C ATOM 1343 NZ LYS A 87 0.795 -10.239 -7.122 1.00 12.23 N ATOM 0 H LYS A 87 4.175 -5.795 -3.373 1.00 53.05 H new ATOM 0 HA LYS A 87 5.143 -8.305 -4.594 1.00 24.13 H new ATOM 0 HB2 LYS A 87 3.463 -6.140 -5.919 1.00 53.34 H new ATOM 0 HB3 LYS A 87 4.337 -7.376 -6.803 1.00 53.34 H new ATOM 0 HG2 LYS A 87 2.962 -9.125 -5.660 1.00 14.54 H new ATOM 0 HG3 LYS A 87 2.058 -7.859 -4.853 1.00 14.54 H new ATOM 0 HD2 LYS A 87 1.459 -6.894 -7.088 1.00 32.43 H new ATOM 0 HD3 LYS A 87 2.320 -8.205 -7.869 1.00 32.43 H new ATOM 0 HE2 LYS A 87 0.030 -8.663 -5.938 1.00 22.35 H new ATOM 0 HE3 LYS A 87 -0.208 -8.458 -7.662 1.00 22.35 H new ATOM 0 HZ1 LYS A 87 -0.090 -10.783 -7.064 1.00 12.23 H new ATOM 0 HZ2 LYS A 87 1.223 -10.373 -8.060 1.00 12.23 H new ATOM 0 HZ3 LYS A 87 1.454 -10.572 -6.390 1.00 12.23 H new ATOM 1357 N LYS A 88 7.028 -6.962 -5.804 1.00 25.32 N ATOM 1358 CA LYS A 88 8.153 -6.164 -6.311 1.00 53.54 C ATOM 1359 C LYS A 88 7.724 -5.348 -7.534 1.00 4.44 C ATOM 1360 O LYS A 88 6.875 -5.779 -8.315 1.00 33.10 O ATOM 1361 CB LYS A 88 9.355 -7.055 -6.660 1.00 30.43 C ATOM 1362 CG LYS A 88 10.133 -7.541 -5.462 1.00 52.21 C ATOM 1363 CD LYS A 88 11.432 -8.202 -5.899 1.00 22.12 C ATOM 1364 CE LYS A 88 12.103 -8.896 -4.740 1.00 33.11 C ATOM 1365 NZ LYS A 88 13.320 -9.643 -5.152 1.00 64.05 N ATOM 0 H LYS A 88 7.055 -7.949 -6.059 1.00 25.32 H new ATOM 0 HA LYS A 88 8.459 -5.479 -5.521 1.00 53.54 H new ATOM 0 HB2 LYS A 88 9.002 -7.918 -7.224 1.00 30.43 H new ATOM 0 HB3 LYS A 88 10.027 -6.500 -7.315 1.00 30.43 H new ATOM 0 HG2 LYS A 88 10.350 -6.704 -4.799 1.00 52.21 H new ATOM 0 HG3 LYS A 88 9.531 -8.250 -4.894 1.00 52.21 H new ATOM 0 HD2 LYS A 88 11.229 -8.923 -6.691 1.00 22.12 H new ATOM 0 HD3 LYS A 88 12.104 -7.452 -6.316 1.00 22.12 H new ATOM 0 HE2 LYS A 88 12.372 -8.158 -3.985 1.00 33.11 H new ATOM 0 HE3 LYS A 88 11.398 -9.585 -4.275 1.00 33.11 H new ATOM 0 HZ1 LYS A 88 13.800 -10.017 -4.309 1.00 64.05 H new ATOM 0 HZ2 LYS A 88 13.049 -10.431 -5.774 1.00 64.05 H new ATOM 0 HZ3 LYS A 88 13.963 -9.004 -5.662 1.00 64.05 H new ATOM 1379 N GLY A 89 8.308 -4.168 -7.698 1.00 42.14 N ATOM 1380 CA GLY A 89 7.905 -3.279 -8.783 1.00 0.15 C ATOM 1381 C GLY A 89 9.071 -2.659 -9.542 1.00 63.13 C ATOM 1382 O GLY A 89 10.223 -2.722 -9.106 1.00 42.41 O ATOM 0 H GLY A 89 9.053 -3.806 -7.103 1.00 42.14 H new ATOM 0 HA2 GLY A 89 7.284 -3.837 -9.484 1.00 0.15 H new ATOM 0 HA3 GLY A 89 7.286 -2.481 -8.374 1.00 0.15 H new ATOM 1386 N ASP A 90 8.755 -2.033 -10.677 1.00 45.22 N ATOM 1387 CA ASP A 90 9.755 -1.385 -11.535 1.00 13.23 C ATOM 1388 C ASP A 90 9.971 0.083 -11.118 1.00 34.12 C ATOM 1389 O ASP A 90 10.415 0.917 -11.911 1.00 40.12 O ATOM 1390 CB ASP A 90 9.284 -1.457 -12.992 1.00 31.45 C ATOM 1391 CG ASP A 90 8.884 -2.866 -13.392 1.00 3.24 C ATOM 1392 OD1 ASP A 90 9.772 -3.653 -13.786 1.00 60.31 O ATOM 1393 OD2 ASP A 90 7.679 -3.198 -13.302 1.00 42.31 O ATOM 0 H ASP A 90 7.801 -1.960 -11.029 1.00 45.22 H new ATOM 0 HA ASP A 90 10.707 -1.906 -11.428 1.00 13.23 H new ATOM 0 HB2 ASP A 90 8.437 -0.786 -13.133 1.00 31.45 H new ATOM 0 HB3 ASP A 90 10.081 -1.106 -13.648 1.00 31.45 H new ATOM 1398 N VAL A 91 9.666 0.380 -9.861 1.00 34.04 N ATOM 1399 CA VAL A 91 9.731 1.743 -9.328 1.00 52.23 C ATOM 1400 C VAL A 91 11.113 2.063 -8.704 1.00 0.14 C ATOM 1401 O VAL A 91 11.813 1.163 -8.230 1.00 63.35 O ATOM 1402 CB VAL A 91 8.610 1.955 -8.272 1.00 32.32 C ATOM 1403 CG1 VAL A 91 7.231 1.953 -8.938 1.00 24.15 C ATOM 1404 CG2 VAL A 91 8.676 0.876 -7.193 1.00 61.44 C ATOM 0 H VAL A 91 9.366 -0.316 -9.178 1.00 34.04 H new ATOM 0 HA VAL A 91 9.584 2.427 -10.164 1.00 52.23 H new ATOM 0 HB VAL A 91 8.767 2.926 -7.803 1.00 32.32 H new ATOM 0 HG11 VAL A 91 6.461 2.103 -8.181 1.00 24.15 H new ATOM 0 HG12 VAL A 91 7.180 2.758 -9.672 1.00 24.15 H new ATOM 0 HG13 VAL A 91 7.069 0.997 -9.436 1.00 24.15 H new ATOM 0 HG21 VAL A 91 7.883 1.042 -6.463 1.00 61.44 H new ATOM 0 HG22 VAL A 91 8.548 -0.105 -7.651 1.00 61.44 H new ATOM 0 HG23 VAL A 91 9.644 0.920 -6.693 1.00 61.44 H new ATOM 1414 N PRO A 92 11.526 3.355 -8.707 1.00 42.23 N ATOM 1415 CA PRO A 92 12.821 3.792 -8.134 1.00 45.32 C ATOM 1416 C PRO A 92 12.853 3.704 -6.597 1.00 13.04 C ATOM 1417 O PRO A 92 11.842 3.951 -5.941 1.00 34.34 O ATOM 1418 CB PRO A 92 12.949 5.260 -8.592 1.00 43.24 C ATOM 1419 CG PRO A 92 11.874 5.458 -9.614 1.00 5.21 C ATOM 1420 CD PRO A 92 10.781 4.491 -9.262 1.00 43.53 C ATOM 0 HA PRO A 92 13.640 3.155 -8.469 1.00 45.32 H new ATOM 0 HB2 PRO A 92 12.823 5.945 -7.753 1.00 43.24 H new ATOM 0 HB3 PRO A 92 13.934 5.454 -9.017 1.00 43.24 H new ATOM 0 HG2 PRO A 92 11.506 6.484 -9.599 1.00 5.21 H new ATOM 0 HG3 PRO A 92 12.252 5.270 -10.619 1.00 5.21 H new ATOM 0 HD2 PRO A 92 10.085 4.912 -8.537 1.00 43.53 H new ATOM 0 HD3 PRO A 92 10.196 4.204 -10.136 1.00 43.53 H new ATOM 1428 N LYS A 93 14.022 3.375 -6.029 1.00 25.45 N ATOM 1429 CA LYS A 93 14.144 3.133 -4.577 1.00 60.21 C ATOM 1430 C LYS A 93 13.576 4.294 -3.739 1.00 73.24 C ATOM 1431 O LYS A 93 13.746 5.469 -4.080 1.00 32.32 O ATOM 1432 CB LYS A 93 15.607 2.879 -4.183 1.00 0.44 C ATOM 1433 CG LYS A 93 15.765 2.465 -2.723 1.00 61.14 C ATOM 1434 CD LYS A 93 17.216 2.232 -2.323 1.00 70.33 C ATOM 1435 CE LYS A 93 17.315 1.701 -0.893 1.00 51.25 C ATOM 1436 NZ LYS A 93 16.622 2.582 0.084 1.00 14.11 N ATOM 0 H LYS A 93 14.895 3.270 -6.546 1.00 25.45 H new ATOM 0 HA LYS A 93 13.552 2.244 -4.361 1.00 60.21 H new ATOM 0 HB2 LYS A 93 16.020 2.100 -4.823 1.00 0.44 H new ATOM 0 HB3 LYS A 93 16.189 3.783 -4.364 1.00 0.44 H new ATOM 0 HG2 LYS A 93 15.338 3.238 -2.084 1.00 61.14 H new ATOM 0 HG3 LYS A 93 15.194 1.553 -2.546 1.00 61.14 H new ATOM 0 HD2 LYS A 93 17.676 1.522 -3.010 1.00 70.33 H new ATOM 0 HD3 LYS A 93 17.774 3.165 -2.407 1.00 70.33 H new ATOM 0 HE2 LYS A 93 16.883 0.701 -0.848 1.00 51.25 H new ATOM 0 HE3 LYS A 93 18.365 1.607 -0.614 1.00 51.25 H new ATOM 0 HZ1 LYS A 93 17.106 2.530 1.003 1.00 14.11 H new ATOM 0 HZ2 LYS A 93 16.638 3.563 -0.261 1.00 14.11 H new ATOM 0 HZ3 LYS A 93 15.636 2.270 0.194 1.00 14.11 H new ATOM 1450 N GLY A 94 12.930 3.957 -2.622 1.00 2.43 N ATOM 1451 CA GLY A 94 12.247 4.966 -1.821 1.00 31.11 C ATOM 1452 C GLY A 94 10.977 5.501 -2.482 1.00 64.04 C ATOM 1453 O GLY A 94 10.546 6.623 -2.206 1.00 15.24 O ATOM 0 H GLY A 94 12.867 3.006 -2.258 1.00 2.43 H new ATOM 0 HA2 GLY A 94 11.992 4.539 -0.851 1.00 31.11 H new ATOM 0 HA3 GLY A 94 12.929 5.796 -1.635 1.00 31.11 H new ATOM 1457 N MET A 95 10.368 4.697 -3.346 1.00 3.45 N ATOM 1458 CA MET A 95 9.147 5.087 -4.043 1.00 74.30 C ATOM 1459 C MET A 95 8.345 3.836 -4.441 1.00 32.20 C ATOM 1460 O MET A 95 8.910 2.884 -4.966 1.00 71.34 O ATOM 1461 CB MET A 95 9.530 5.908 -5.282 1.00 72.43 C ATOM 1462 CG MET A 95 8.371 6.607 -5.955 1.00 52.11 C ATOM 1463 SD MET A 95 8.916 7.659 -7.316 1.00 20.11 S ATOM 1464 CE MET A 95 7.449 8.643 -7.609 1.00 62.12 C ATOM 0 H MET A 95 10.703 3.763 -3.582 1.00 3.45 H new ATOM 0 HA MET A 95 8.519 5.693 -3.390 1.00 74.30 H new ATOM 0 HB2 MET A 95 10.270 6.655 -4.993 1.00 72.43 H new ATOM 0 HB3 MET A 95 10.009 5.248 -6.005 1.00 72.43 H new ATOM 0 HG2 MET A 95 7.668 5.864 -6.330 1.00 52.11 H new ATOM 0 HG3 MET A 95 7.836 7.211 -5.222 1.00 52.11 H new ATOM 0 HE1 MET A 95 7.186 8.598 -8.666 1.00 62.12 H new ATOM 0 HE2 MET A 95 6.624 8.253 -7.013 1.00 62.12 H new ATOM 0 HE3 MET A 95 7.643 9.678 -7.327 1.00 62.12 H new ATOM 1474 N ILE A 96 7.030 3.844 -4.220 1.00 44.12 N ATOM 1475 CA ILE A 96 6.202 2.647 -4.460 1.00 73.03 C ATOM 1476 C ILE A 96 4.924 2.975 -5.244 1.00 13.52 C ATOM 1477 O ILE A 96 4.331 4.038 -5.072 1.00 3.32 O ATOM 1478 CB ILE A 96 5.805 1.942 -3.133 1.00 74.32 C ATOM 1479 CG1 ILE A 96 4.980 2.886 -2.234 1.00 64.41 C ATOM 1480 CG2 ILE A 96 7.048 1.442 -2.395 1.00 0.25 C ATOM 1481 CD1 ILE A 96 4.462 2.229 -0.968 1.00 1.23 C ATOM 0 H ILE A 96 6.513 4.654 -3.879 1.00 44.12 H new ATOM 0 HA ILE A 96 6.821 1.975 -5.054 1.00 73.03 H new ATOM 0 HB ILE A 96 5.183 1.081 -3.379 1.00 74.32 H new ATOM 0 HG12 ILE A 96 5.596 3.743 -1.962 1.00 64.41 H new ATOM 0 HG13 ILE A 96 4.135 3.270 -2.805 1.00 64.41 H new ATOM 0 HG21 ILE A 96 6.749 0.952 -1.469 1.00 0.25 H new ATOM 0 HG22 ILE A 96 7.584 0.732 -3.025 1.00 0.25 H new ATOM 0 HG23 ILE A 96 7.699 2.286 -2.165 1.00 0.25 H new ATOM 0 HD11 ILE A 96 3.892 2.955 -0.388 1.00 1.23 H new ATOM 0 HD12 ILE A 96 3.819 1.389 -1.231 1.00 1.23 H new ATOM 0 HD13 ILE A 96 5.303 1.870 -0.374 1.00 1.23 H new ATOM 1493 N PHE A 97 4.494 2.044 -6.092 1.00 71.52 N ATOM 1494 CA PHE A 97 3.290 2.234 -6.913 1.00 41.32 C ATOM 1495 C PHE A 97 2.109 1.409 -6.377 1.00 2.51 C ATOM 1496 O PHE A 97 2.239 0.214 -6.129 1.00 33.32 O ATOM 1497 CB PHE A 97 3.578 1.842 -8.371 1.00 72.13 C ATOM 1498 CG PHE A 97 2.383 1.979 -9.289 1.00 31.43 C ATOM 1499 CD1 PHE A 97 1.506 0.918 -9.478 1.00 64.52 C ATOM 1500 CD2 PHE A 97 2.135 3.169 -9.959 1.00 51.40 C ATOM 1501 CE1 PHE A 97 0.411 1.041 -10.310 1.00 20.12 C ATOM 1502 CE2 PHE A 97 1.041 3.295 -10.794 1.00 24.35 C ATOM 1503 CZ PHE A 97 0.180 2.231 -10.969 1.00 65.21 C ATOM 0 H PHE A 97 4.959 1.147 -6.232 1.00 71.52 H new ATOM 0 HA PHE A 97 3.017 3.288 -6.866 1.00 41.32 H new ATOM 0 HB2 PHE A 97 4.389 2.463 -8.751 1.00 72.13 H new ATOM 0 HB3 PHE A 97 3.928 0.810 -8.397 1.00 72.13 H new ATOM 0 HD1 PHE A 97 1.683 -0.017 -8.967 1.00 64.52 H new ATOM 0 HD2 PHE A 97 2.805 4.006 -9.826 1.00 51.40 H new ATOM 0 HE1 PHE A 97 -0.263 0.208 -10.445 1.00 20.12 H new ATOM 0 HE2 PHE A 97 0.860 4.226 -11.310 1.00 24.35 H new ATOM 0 HZ PHE A 97 -0.675 2.330 -11.622 1.00 65.21 H new ATOM 1513 N ILE A 98 0.957 2.054 -6.208 1.00 52.12 N ATOM 1514 CA ILE A 98 -0.268 1.360 -5.795 1.00 23.13 C ATOM 1515 C ILE A 98 -1.412 1.633 -6.792 1.00 33.32 C ATOM 1516 O ILE A 98 -1.660 2.779 -7.168 1.00 52.41 O ATOM 1517 CB ILE A 98 -0.714 1.785 -4.366 1.00 24.21 C ATOM 1518 CG1 ILE A 98 0.410 1.505 -3.353 1.00 71.22 C ATOM 1519 CG2 ILE A 98 -2.000 1.060 -3.955 1.00 35.31 C ATOM 1520 CD1 ILE A 98 0.049 1.827 -1.916 1.00 10.13 C ATOM 0 H ILE A 98 0.843 3.058 -6.350 1.00 52.12 H new ATOM 0 HA ILE A 98 -0.044 0.293 -5.784 1.00 23.13 H new ATOM 0 HB ILE A 98 -0.919 2.855 -4.375 1.00 24.21 H new ATOM 0 HG12 ILE A 98 0.689 0.453 -3.418 1.00 71.22 H new ATOM 0 HG13 ILE A 98 1.289 2.086 -3.633 1.00 71.22 H new ATOM 0 HG21 ILE A 98 -2.290 1.374 -2.953 1.00 35.31 H new ATOM 0 HG22 ILE A 98 -2.796 1.306 -4.657 1.00 35.31 H new ATOM 0 HG23 ILE A 98 -1.829 -0.016 -3.962 1.00 35.31 H new ATOM 0 HD11 ILE A 98 0.896 1.601 -1.269 1.00 10.13 H new ATOM 0 HD12 ILE A 98 -0.200 2.885 -1.832 1.00 10.13 H new ATOM 0 HD13 ILE A 98 -0.809 1.227 -1.613 1.00 10.13 H new ATOM 1532 N PRO A 99 -2.106 0.581 -7.266 1.00 43.30 N ATOM 1533 CA PRO A 99 -3.272 0.741 -8.154 1.00 35.10 C ATOM 1534 C PRO A 99 -4.374 1.633 -7.542 1.00 2.31 C ATOM 1535 O PRO A 99 -4.720 1.501 -6.365 1.00 62.32 O ATOM 1536 CB PRO A 99 -3.775 -0.699 -8.338 1.00 51.54 C ATOM 1537 CG PRO A 99 -2.579 -1.551 -8.078 1.00 33.13 C ATOM 1538 CD PRO A 99 -1.800 -0.839 -7.008 1.00 33.02 C ATOM 0 HA PRO A 99 -3.006 1.238 -9.087 1.00 35.10 H new ATOM 0 HB2 PRO A 99 -4.584 -0.928 -7.644 1.00 51.54 H new ATOM 0 HB3 PRO A 99 -4.164 -0.858 -9.344 1.00 51.54 H new ATOM 0 HG2 PRO A 99 -2.872 -2.549 -7.751 1.00 33.13 H new ATOM 0 HG3 PRO A 99 -1.982 -1.674 -8.981 1.00 33.13 H new ATOM 0 HD2 PRO A 99 -2.113 -1.145 -6.010 1.00 33.02 H new ATOM 0 HD3 PRO A 99 -0.732 -1.042 -7.083 1.00 33.02 H new ATOM 1546 N MET A 100 -4.912 2.548 -8.353 1.00 65.11 N ATOM 1547 CA MET A 100 -5.955 3.486 -7.910 1.00 41.41 C ATOM 1548 C MET A 100 -7.156 2.756 -7.288 1.00 0.35 C ATOM 1549 O MET A 100 -7.923 2.090 -7.984 1.00 34.23 O ATOM 1550 CB MET A 100 -6.419 4.348 -9.094 1.00 40.33 C ATOM 1551 CG MET A 100 -7.519 5.361 -8.771 1.00 64.33 C ATOM 1552 SD MET A 100 -6.954 6.764 -7.778 1.00 3.32 S ATOM 1553 CE MET A 100 -7.101 6.139 -6.104 1.00 70.14 C ATOM 0 H MET A 100 -4.641 2.662 -9.330 1.00 65.11 H new ATOM 0 HA MET A 100 -5.522 4.123 -7.139 1.00 41.41 H new ATOM 0 HB2 MET A 100 -5.558 4.885 -9.491 1.00 40.33 H new ATOM 0 HB3 MET A 100 -6.776 3.688 -9.885 1.00 40.33 H new ATOM 0 HG2 MET A 100 -7.940 5.735 -9.704 1.00 64.33 H new ATOM 0 HG3 MET A 100 -8.323 4.852 -8.239 1.00 64.33 H new ATOM 0 HE1 MET A 100 -7.312 6.965 -5.425 1.00 70.14 H new ATOM 0 HE2 MET A 100 -7.913 5.414 -6.056 1.00 70.14 H new ATOM 0 HE3 MET A 100 -6.167 5.658 -5.812 1.00 70.14 H new ATOM 1563 N GLY A 101 -7.310 2.893 -5.974 1.00 55.24 N ATOM 1564 CA GLY A 101 -8.425 2.253 -5.279 1.00 54.23 C ATOM 1565 C GLY A 101 -8.674 2.851 -3.904 1.00 15.30 C ATOM 1566 O GLY A 101 -8.017 3.824 -3.532 1.00 11.43 O ATOM 0 H GLY A 101 -6.686 3.434 -5.375 1.00 55.24 H new ATOM 0 HA2 GLY A 101 -9.328 2.349 -5.882 1.00 54.23 H new ATOM 0 HA3 GLY A 101 -8.221 1.187 -5.177 1.00 54.23 H new ATOM 1570 N PRO A 102 -9.598 2.284 -3.100 1.00 74.12 N ATOM 1571 CA PRO A 102 -9.891 2.816 -1.759 1.00 12.23 C ATOM 1572 C PRO A 102 -8.682 2.682 -0.822 1.00 73.34 C ATOM 1573 O PRO A 102 -8.505 3.467 0.106 1.00 64.52 O ATOM 1574 CB PRO A 102 -11.074 1.964 -1.274 1.00 61.33 C ATOM 1575 CG PRO A 102 -11.017 0.711 -2.088 1.00 73.32 C ATOM 1576 CD PRO A 102 -10.405 1.087 -3.416 1.00 50.01 C ATOM 0 HA PRO A 102 -10.121 3.881 -1.775 1.00 12.23 H new ATOM 0 HB2 PRO A 102 -10.991 1.746 -0.209 1.00 61.33 H new ATOM 0 HB3 PRO A 102 -12.020 2.485 -1.420 1.00 61.33 H new ATOM 0 HG2 PRO A 102 -10.418 -0.050 -1.587 1.00 73.32 H new ATOM 0 HG3 PRO A 102 -12.014 0.293 -2.225 1.00 73.32 H new ATOM 0 HD2 PRO A 102 -9.788 0.282 -3.816 1.00 50.01 H new ATOM 0 HD3 PRO A 102 -11.169 1.304 -4.162 1.00 50.01 H new ATOM 1584 N TYR A 103 -7.837 1.695 -1.111 1.00 25.22 N ATOM 1585 CA TYR A 103 -6.608 1.457 -0.355 1.00 23.45 C ATOM 1586 C TYR A 103 -5.616 2.599 -0.573 1.00 23.54 C ATOM 1587 O TYR A 103 -5.132 3.211 0.375 1.00 10.25 O ATOM 1588 CB TYR A 103 -5.978 0.129 -0.792 1.00 31.33 C ATOM 1589 CG TYR A 103 -6.905 -1.064 -0.643 1.00 31.14 C ATOM 1590 CD1 TYR A 103 -8.055 -1.173 -1.415 1.00 53.15 C ATOM 1591 CD2 TYR A 103 -6.633 -2.081 0.265 1.00 33.13 C ATOM 1592 CE1 TYR A 103 -8.905 -2.249 -1.287 1.00 73.10 C ATOM 1593 CE2 TYR A 103 -7.478 -3.164 0.395 1.00 43.53 C ATOM 1594 CZ TYR A 103 -8.612 -3.242 -0.388 1.00 15.04 C ATOM 1595 OH TYR A 103 -9.455 -4.322 -0.273 1.00 12.21 O ATOM 0 H TYR A 103 -7.984 1.037 -1.876 1.00 25.22 H new ATOM 0 HA TYR A 103 -6.854 1.408 0.706 1.00 23.45 H new ATOM 0 HB2 TYR A 103 -5.668 0.209 -1.834 1.00 31.33 H new ATOM 0 HB3 TYR A 103 -5.077 -0.046 -0.204 1.00 31.33 H new ATOM 0 HD1 TYR A 103 -8.287 -0.398 -2.130 1.00 53.15 H new ATOM 0 HD2 TYR A 103 -5.746 -2.022 0.878 1.00 33.13 H new ATOM 0 HE1 TYR A 103 -9.798 -2.310 -1.892 1.00 73.10 H new ATOM 0 HE2 TYR A 103 -7.253 -3.946 1.105 1.00 43.53 H new ATOM 0 HH TYR A 103 -9.550 -4.564 0.672 1.00 12.21 H new ATOM 1605 N ALA A 104 -5.324 2.886 -1.838 1.00 44.20 N ATOM 1606 CA ALA A 104 -4.481 4.026 -2.186 1.00 42.20 C ATOM 1607 C ALA A 104 -5.122 5.340 -1.720 1.00 20.42 C ATOM 1608 O ALA A 104 -4.448 6.223 -1.203 1.00 2.43 O ATOM 1609 CB ALA A 104 -4.230 4.056 -3.689 1.00 2.23 C ATOM 0 H ALA A 104 -5.657 2.347 -2.637 1.00 44.20 H new ATOM 0 HA ALA A 104 -3.525 3.916 -1.675 1.00 42.20 H new ATOM 0 HB1 ALA A 104 -3.600 4.911 -3.936 1.00 2.23 H new ATOM 0 HB2 ALA A 104 -3.729 3.137 -3.993 1.00 2.23 H new ATOM 0 HB3 ALA A 104 -5.181 4.142 -4.215 1.00 2.23 H new ATOM 1615 N ASN A 105 -6.437 5.446 -1.887 1.00 51.32 N ATOM 1616 CA ASN A 105 -7.200 6.619 -1.440 1.00 23.02 C ATOM 1617 C ASN A 105 -6.953 6.933 0.051 1.00 63.33 C ATOM 1618 O ASN A 105 -7.074 8.080 0.480 1.00 2.21 O ATOM 1619 CB ASN A 105 -8.693 6.378 -1.703 1.00 41.04 C ATOM 1620 CG ASN A 105 -9.585 7.448 -1.107 1.00 21.55 C ATOM 1621 OD1 ASN A 105 -9.876 8.458 -1.735 1.00 11.23 O ATOM 1622 ND2 ASN A 105 -10.031 7.228 0.111 1.00 23.30 N ATOM 0 H ASN A 105 -7.007 4.727 -2.334 1.00 51.32 H new ATOM 0 HA ASN A 105 -6.862 7.487 -2.006 1.00 23.02 H new ATOM 0 HB2 ASN A 105 -8.863 6.331 -2.779 1.00 41.04 H new ATOM 0 HB3 ASN A 105 -8.976 5.409 -1.293 1.00 41.04 H new ATOM 0 HD21 ASN A 105 -10.640 7.911 0.562 1.00 23.30 H new ATOM 0 HD22 ASN A 105 -9.768 6.375 0.604 1.00 23.30 H new ATOM 1629 N MET A 106 -6.606 5.909 0.830 1.00 54.31 N ATOM 1630 CA MET A 106 -6.291 6.083 2.254 1.00 62.54 C ATOM 1631 C MET A 106 -5.032 6.936 2.460 1.00 42.04 C ATOM 1632 O MET A 106 -4.942 7.705 3.418 1.00 61.24 O ATOM 1633 CB MET A 106 -6.071 4.715 2.915 1.00 1.41 C ATOM 1634 CG MET A 106 -7.304 3.831 2.927 1.00 70.01 C ATOM 1635 SD MET A 106 -8.519 4.349 4.155 1.00 4.31 S ATOM 1636 CE MET A 106 -7.754 3.746 5.657 1.00 4.31 C ATOM 0 H MET A 106 -6.535 4.946 0.501 1.00 54.31 H new ATOM 0 HA MET A 106 -7.137 6.596 2.711 1.00 62.54 H new ATOM 0 HB2 MET A 106 -5.269 4.195 2.392 1.00 1.41 H new ATOM 0 HB3 MET A 106 -5.736 4.868 3.941 1.00 1.41 H new ATOM 0 HG2 MET A 106 -7.764 3.843 1.939 1.00 70.01 H new ATOM 0 HG3 MET A 106 -7.006 2.802 3.128 1.00 70.01 H new ATOM 0 HE1 MET A 106 -8.496 3.712 6.455 1.00 4.31 H new ATOM 0 HE2 MET A 106 -7.358 2.745 5.487 1.00 4.31 H new ATOM 0 HE3 MET A 106 -6.942 4.414 5.945 1.00 4.31 H new ATOM 1646 N VAL A 107 -4.072 6.803 1.548 1.00 64.41 N ATOM 1647 CA VAL A 107 -2.733 7.365 1.747 1.00 13.25 C ATOM 1648 C VAL A 107 -2.388 8.461 0.726 1.00 50.32 C ATOM 1649 O VAL A 107 -1.493 9.274 0.960 1.00 31.34 O ATOM 1650 CB VAL A 107 -1.658 6.248 1.688 1.00 11.50 C ATOM 1651 CG1 VAL A 107 -1.846 5.252 2.832 1.00 32.13 C ATOM 1652 CG2 VAL A 107 -1.692 5.532 0.338 1.00 14.23 C ATOM 0 H VAL A 107 -4.194 6.311 0.663 1.00 64.41 H new ATOM 0 HA VAL A 107 -2.738 7.825 2.735 1.00 13.25 H new ATOM 0 HB VAL A 107 -0.680 6.715 1.801 1.00 11.50 H new ATOM 0 HG11 VAL A 107 -1.081 4.478 2.770 1.00 32.13 H new ATOM 0 HG12 VAL A 107 -1.759 5.773 3.786 1.00 32.13 H new ATOM 0 HG13 VAL A 107 -2.832 4.794 2.757 1.00 32.13 H new ATOM 0 HG21 VAL A 107 -0.930 4.753 0.320 1.00 14.23 H new ATOM 0 HG22 VAL A 107 -2.674 5.082 0.189 1.00 14.23 H new ATOM 0 HG23 VAL A 107 -1.497 6.249 -0.459 1.00 14.23 H new ATOM 1662 N ILE A 108 -3.092 8.491 -0.399 1.00 42.12 N ATOM 1663 CA ILE A 108 -2.803 9.473 -1.444 1.00 54.13 C ATOM 1664 C ILE A 108 -3.625 10.768 -1.263 1.00 72.33 C ATOM 1665 O ILE A 108 -4.364 10.923 -0.291 1.00 75.24 O ATOM 1666 CB ILE A 108 -3.050 8.901 -2.858 1.00 71.21 C ATOM 1667 CG1 ILE A 108 -4.540 8.829 -3.173 1.00 31.53 C ATOM 1668 CG2 ILE A 108 -2.412 7.515 -3.017 1.00 71.43 C ATOM 1669 CD1 ILE A 108 -4.790 8.640 -4.639 1.00 74.43 C ATOM 0 H ILE A 108 -3.860 7.855 -0.613 1.00 42.12 H new ATOM 0 HA ILE A 108 -1.745 9.715 -1.345 1.00 54.13 H new ATOM 0 HB ILE A 108 -2.579 9.582 -3.567 1.00 71.21 H new ATOM 0 HG12 ILE A 108 -4.989 8.005 -2.618 1.00 31.53 H new ATOM 0 HG13 ILE A 108 -5.028 9.744 -2.836 1.00 31.53 H new ATOM 0 HG21 ILE A 108 -2.603 7.140 -4.022 1.00 71.43 H new ATOM 0 HG22 ILE A 108 -1.337 7.589 -2.856 1.00 71.43 H new ATOM 0 HG23 ILE A 108 -2.842 6.830 -2.286 1.00 71.43 H new ATOM 0 HD11 ILE A 108 -5.864 8.594 -4.822 1.00 74.43 H new ATOM 0 HD12 ILE A 108 -4.364 9.477 -5.192 1.00 74.43 H new ATOM 0 HD13 ILE A 108 -4.325 7.712 -4.971 1.00 74.43 H new ATOM 1681 N ASP A 109 -3.486 11.694 -2.216 1.00 13.40 N ATOM 1682 CA ASP A 109 -4.187 12.983 -2.174 1.00 12.55 C ATOM 1683 C ASP A 109 -5.297 13.058 -3.242 1.00 71.23 C ATOM 1684 O ASP A 109 -5.020 13.032 -4.444 1.00 51.30 O ATOM 1685 CB ASP A 109 -3.180 14.123 -2.373 1.00 73.04 C ATOM 1686 CG ASP A 109 -3.854 15.476 -2.536 1.00 70.42 C ATOM 1687 OD1 ASP A 109 -4.266 16.068 -1.517 1.00 72.41 O ATOM 1688 OD2 ASP A 109 -3.988 15.942 -3.687 1.00 1.40 O ATOM 0 H ASP A 109 -2.889 11.574 -3.034 1.00 13.40 H new ATOM 0 HA ASP A 109 -4.662 13.082 -1.198 1.00 12.55 H new ATOM 0 HB2 ASP A 109 -2.504 14.159 -1.519 1.00 73.04 H new ATOM 0 HB3 ASP A 109 -2.571 13.916 -3.253 1.00 73.04 H new ATOM 1862 N GLY A 122 3.572 11.144 -7.120 1.00 11.44 N ATOM 1863 CA GLY A 122 2.846 10.450 -6.064 1.00 21.33 C ATOM 1864 C GLY A 122 2.853 11.186 -4.731 1.00 34.33 C ATOM 1865 O GLY A 122 3.480 12.239 -4.584 1.00 53.32 O ATOM 0 HA2 GLY A 122 1.814 10.302 -6.382 1.00 21.33 H new ATOM 0 HA3 GLY A 122 3.282 9.461 -5.925 1.00 21.33 H new ATOM 1869 N VAL A 123 2.133 10.637 -3.760 1.00 42.45 N ATOM 1870 CA VAL A 123 2.073 11.214 -2.408 1.00 2.03 C ATOM 1871 C VAL A 123 3.112 10.585 -1.459 1.00 52.21 C ATOM 1872 O VAL A 123 3.105 9.379 -1.225 1.00 35.02 O ATOM 1873 CB VAL A 123 0.665 11.039 -1.801 1.00 24.14 C ATOM 1874 CG1 VAL A 123 0.586 11.636 -0.394 1.00 1.45 C ATOM 1875 CG2 VAL A 123 -0.386 11.653 -2.724 1.00 50.23 C ATOM 0 H VAL A 123 1.578 9.789 -3.877 1.00 42.45 H new ATOM 0 HA VAL A 123 2.302 12.274 -2.513 1.00 2.03 H new ATOM 0 HB VAL A 123 0.461 9.972 -1.709 1.00 24.14 H new ATOM 0 HG11 VAL A 123 -0.419 11.496 0.005 1.00 1.45 H new ATOM 0 HG12 VAL A 123 1.306 11.137 0.254 1.00 1.45 H new ATOM 0 HG13 VAL A 123 0.814 12.701 -0.437 1.00 1.45 H new ATOM 0 HG21 VAL A 123 -1.375 11.524 -2.286 1.00 50.23 H new ATOM 0 HG22 VAL A 123 -0.182 12.716 -2.851 1.00 50.23 H new ATOM 0 HG23 VAL A 123 -0.352 11.158 -3.695 1.00 50.23 H new ATOM 1885 N LYS A 124 3.992 11.419 -0.908 1.00 4.42 N ATOM 1886 CA LYS A 124 5.037 10.979 0.014 1.00 41.53 C ATOM 1887 C LYS A 124 4.448 10.330 1.286 1.00 73.10 C ATOM 1888 O LYS A 124 3.437 10.787 1.822 1.00 72.12 O ATOM 1889 CB LYS A 124 5.900 12.200 0.375 1.00 51.23 C ATOM 1890 CG LYS A 124 7.353 11.881 0.703 1.00 41.24 C ATOM 1891 CD LYS A 124 7.539 11.302 2.109 1.00 23.51 C ATOM 1892 CE LYS A 124 7.162 12.307 3.196 1.00 34.03 C ATOM 1893 NZ LYS A 124 7.358 11.751 4.562 1.00 44.21 N ATOM 0 H LYS A 124 4.000 12.423 -1.089 1.00 4.42 H new ATOM 0 HA LYS A 124 5.644 10.214 -0.470 1.00 41.53 H new ATOM 0 HB2 LYS A 124 5.876 12.903 -0.458 1.00 51.23 H new ATOM 0 HB3 LYS A 124 5.451 12.704 1.231 1.00 51.23 H new ATOM 0 HG2 LYS A 124 7.737 11.171 -0.029 1.00 41.24 H new ATOM 0 HG3 LYS A 124 7.948 12.789 0.609 1.00 41.24 H new ATOM 0 HD2 LYS A 124 6.928 10.406 2.216 1.00 23.51 H new ATOM 0 HD3 LYS A 124 8.577 10.997 2.241 1.00 23.51 H new ATOM 0 HE2 LYS A 124 7.765 13.208 3.081 1.00 34.03 H new ATOM 0 HE3 LYS A 124 6.120 12.602 3.071 1.00 34.03 H new ATOM 0 HZ1 LYS A 124 7.027 12.439 5.268 1.00 44.21 H new ATOM 0 HZ2 LYS A 124 6.816 10.868 4.659 1.00 44.21 H new ATOM 0 HZ3 LYS A 124 8.368 11.556 4.716 1.00 44.21 H new ATOM 1907 N GLY A 125 5.102 9.272 1.764 1.00 2.05 N ATOM 1908 CA GLY A 125 4.666 8.585 2.977 1.00 41.23 C ATOM 1909 C GLY A 125 5.678 7.554 3.479 1.00 54.21 C ATOM 1910 O GLY A 125 6.887 7.733 3.327 1.00 63.34 O ATOM 0 H GLY A 125 5.934 8.873 1.330 1.00 2.05 H new ATOM 0 HA2 GLY A 125 4.488 9.322 3.760 1.00 41.23 H new ATOM 0 HA3 GLY A 125 3.715 8.088 2.784 1.00 41.23 H new ATOM 1914 N THR A 126 5.180 6.471 4.082 1.00 4.13 N ATOM 1915 CA THR A 126 6.034 5.409 4.651 1.00 72.23 C ATOM 1916 C THR A 126 5.474 4.009 4.354 1.00 52.13 C ATOM 1917 O THR A 126 4.285 3.854 4.070 1.00 15.24 O ATOM 1918 CB THR A 126 6.185 5.552 6.188 1.00 33.23 C ATOM 1919 OG1 THR A 126 4.896 5.559 6.823 1.00 62.24 O ATOM 1920 CG2 THR A 126 6.936 6.824 6.562 1.00 30.20 C ATOM 0 H THR A 126 4.180 6.300 4.192 1.00 4.13 H new ATOM 0 HA THR A 126 7.008 5.524 4.176 1.00 72.23 H new ATOM 0 HB THR A 126 6.760 4.694 6.536 1.00 33.23 H new ATOM 0 HG1 THR A 126 4.278 6.115 6.303 1.00 62.24 H new ATOM 0 HG21 THR A 126 7.022 6.890 7.647 1.00 30.20 H new ATOM 0 HG22 THR A 126 7.932 6.802 6.119 1.00 30.20 H new ATOM 0 HG23 THR A 126 6.392 7.691 6.188 1.00 30.20 H new ATOM 1928 N VAL A 127 6.338 2.994 4.427 1.00 21.42 N ATOM 1929 CA VAL A 127 5.931 1.598 4.208 1.00 35.21 C ATOM 1930 C VAL A 127 6.637 0.646 5.193 1.00 3.12 C ATOM 1931 O VAL A 127 7.793 0.868 5.573 1.00 31.54 O ATOM 1932 CB VAL A 127 6.224 1.142 2.754 1.00 5.13 C ATOM 1933 CG1 VAL A 127 7.727 1.142 2.466 1.00 1.11 C ATOM 1934 CG2 VAL A 127 5.610 -0.232 2.481 1.00 41.45 C ATOM 0 H VAL A 127 7.329 3.111 4.637 1.00 21.42 H new ATOM 0 HA VAL A 127 4.856 1.554 4.381 1.00 35.21 H new ATOM 0 HB VAL A 127 5.759 1.859 2.077 1.00 5.13 H new ATOM 0 HG11 VAL A 127 7.901 0.818 1.440 1.00 1.11 H new ATOM 0 HG12 VAL A 127 8.123 2.148 2.601 1.00 1.11 H new ATOM 0 HG13 VAL A 127 8.229 0.459 3.152 1.00 1.11 H new ATOM 0 HG21 VAL A 127 5.828 -0.531 1.456 1.00 41.45 H new ATOM 0 HG22 VAL A 127 6.033 -0.963 3.170 1.00 41.45 H new ATOM 0 HG23 VAL A 127 4.530 -0.183 2.622 1.00 41.45 H new ATOM 1944 N GLU A 128 5.933 -0.407 5.606 1.00 73.04 N ATOM 1945 CA GLU A 128 6.473 -1.394 6.552 1.00 11.20 C ATOM 1946 C GLU A 128 5.770 -2.754 6.410 1.00 35.02 C ATOM 1947 O GLU A 128 4.629 -2.823 5.952 1.00 24.21 O ATOM 1948 CB GLU A 128 6.293 -0.886 7.994 1.00 30.44 C ATOM 1949 CG GLU A 128 4.844 -0.539 8.338 1.00 64.22 C ATOM 1950 CD GLU A 128 4.630 -0.221 9.811 1.00 73.52 C ATOM 1951 OE1 GLU A 128 4.795 0.953 10.202 1.00 73.31 O ATOM 1952 OE2 GLU A 128 4.267 -1.137 10.578 1.00 25.43 O ATOM 0 H GLU A 128 4.980 -0.603 5.300 1.00 73.04 H new ATOM 0 HA GLU A 128 7.531 -1.525 6.326 1.00 11.20 H new ATOM 0 HB2 GLU A 128 6.651 -1.647 8.687 1.00 30.44 H new ATOM 0 HB3 GLU A 128 6.915 -0.003 8.141 1.00 30.44 H new ATOM 0 HG2 GLU A 128 4.532 0.317 7.740 1.00 64.22 H new ATOM 0 HG3 GLU A 128 4.202 -1.374 8.058 1.00 64.22 H new ATOM 1959 N LYS A 129 6.449 -3.837 6.791 1.00 34.32 N ATOM 1960 CA LYS A 129 5.779 -5.136 6.925 1.00 2.35 C ATOM 1961 C LYS A 129 4.862 -5.114 8.150 1.00 22.55 C ATOM 1962 O LYS A 129 5.191 -4.499 9.162 1.00 44.23 O ATOM 1963 CB LYS A 129 6.791 -6.291 7.051 1.00 23.32 C ATOM 1964 CG LYS A 129 6.132 -7.625 7.423 1.00 34.35 C ATOM 1965 CD LYS A 129 7.119 -8.788 7.483 1.00 42.32 C ATOM 1966 CE LYS A 129 7.593 -9.207 6.099 1.00 43.31 C ATOM 1967 NZ LYS A 129 8.388 -10.462 6.131 1.00 65.42 N ATOM 0 H LYS A 129 7.445 -3.845 7.009 1.00 34.32 H new ATOM 0 HA LYS A 129 5.192 -5.307 6.022 1.00 2.35 H new ATOM 0 HB2 LYS A 129 7.323 -6.405 6.107 1.00 23.32 H new ATOM 0 HB3 LYS A 129 7.534 -6.035 7.807 1.00 23.32 H new ATOM 0 HG2 LYS A 129 5.642 -7.523 8.391 1.00 34.35 H new ATOM 0 HG3 LYS A 129 5.354 -7.854 6.694 1.00 34.35 H new ATOM 0 HD2 LYS A 129 7.979 -8.503 8.089 1.00 42.32 H new ATOM 0 HD3 LYS A 129 6.648 -9.638 7.977 1.00 42.32 H new ATOM 0 HE2 LYS A 129 6.730 -9.343 5.447 1.00 43.31 H new ATOM 0 HE3 LYS A 129 8.196 -8.408 5.667 1.00 43.31 H new ATOM 0 HZ1 LYS A 129 9.396 -10.238 6.005 1.00 65.42 H new ATOM 0 HZ2 LYS A 129 8.250 -10.937 7.046 1.00 65.42 H new ATOM 0 HZ3 LYS A 129 8.075 -11.091 5.364 1.00 65.42 H new ATOM 1981 N THR A 130 3.718 -5.782 8.073 1.00 45.43 N ATOM 1982 CA THR A 130 2.754 -5.740 9.176 1.00 1.15 C ATOM 1983 C THR A 130 2.238 -7.119 9.582 1.00 34.50 C ATOM 1984 O THR A 130 2.068 -8.022 8.760 1.00 50.03 O ATOM 1985 CB THR A 130 1.548 -4.828 8.852 1.00 22.31 C ATOM 1986 OG1 THR A 130 0.595 -4.857 9.926 1.00 43.15 O ATOM 1987 CG2 THR A 130 0.851 -5.241 7.567 1.00 54.11 C ATOM 0 H THR A 130 3.434 -6.351 7.276 1.00 45.43 H new ATOM 0 HA THR A 130 3.310 -5.327 10.018 1.00 1.15 H new ATOM 0 HB THR A 130 1.940 -3.819 8.724 1.00 22.31 H new ATOM 0 HG1 THR A 130 1.055 -4.698 10.776 1.00 43.15 H new ATOM 0 HG21 THR A 130 0.010 -4.573 7.378 1.00 54.11 H new ATOM 0 HG22 THR A 130 1.554 -5.182 6.736 1.00 54.11 H new ATOM 0 HG23 THR A 130 0.487 -6.264 7.663 1.00 54.11 H new ATOM 1995 N ASP A 131 1.994 -7.253 10.877 1.00 41.31 N ATOM 1996 CA ASP A 131 1.428 -8.460 11.478 1.00 70.33 C ATOM 1997 C ASP A 131 -0.091 -8.555 11.238 1.00 62.32 C ATOM 1998 O ASP A 131 -0.709 -9.592 11.493 1.00 72.31 O ATOM 1999 CB ASP A 131 1.722 -8.419 12.979 1.00 10.33 C ATOM 2000 CG ASP A 131 1.290 -7.094 13.598 1.00 3.21 C ATOM 2001 OD1 ASP A 131 2.005 -6.084 13.414 1.00 63.24 O ATOM 2002 OD2 ASP A 131 0.227 -7.046 14.240 1.00 2.12 O ATOM 0 H ASP A 131 2.186 -6.515 11.555 1.00 41.31 H new ATOM 0 HA ASP A 131 1.880 -9.339 11.018 1.00 70.33 H new ATOM 0 HB2 ASP A 131 1.203 -9.239 13.475 1.00 10.33 H new ATOM 0 HB3 ASP A 131 2.789 -8.569 13.146 1.00 10.33 H new ATOM 2007 N GLU A 132 -0.677 -7.467 10.743 1.00 75.41 N ATOM 2008 CA GLU A 132 -2.130 -7.366 10.576 1.00 42.43 C ATOM 2009 C GLU A 132 -2.621 -8.035 9.284 1.00 54.22 C ATOM 2010 O GLU A 132 -1.838 -8.583 8.505 1.00 24.34 O ATOM 2011 CB GLU A 132 -2.550 -5.891 10.578 1.00 52.20 C ATOM 2012 CG GLU A 132 -2.025 -5.109 11.774 1.00 43.30 C ATOM 2013 CD GLU A 132 -2.569 -3.692 11.845 1.00 34.20 C ATOM 2014 OE1 GLU A 132 -2.563 -2.993 10.808 1.00 2.12 O ATOM 2015 OE2 GLU A 132 -2.997 -3.269 12.940 1.00 14.42 O ATOM 0 H GLU A 132 -0.165 -6.635 10.448 1.00 75.41 H new ATOM 0 HA GLU A 132 -2.588 -7.893 11.413 1.00 42.43 H new ATOM 0 HB2 GLU A 132 -2.194 -5.419 9.662 1.00 52.20 H new ATOM 0 HB3 GLU A 132 -3.638 -5.832 10.565 1.00 52.20 H new ATOM 0 HG2 GLU A 132 -2.287 -5.639 12.690 1.00 43.30 H new ATOM 0 HG3 GLU A 132 -0.937 -5.072 11.727 1.00 43.30 H new ATOM 2022 N LYS A 133 -3.934 -7.980 9.067 1.00 30.20 N ATOM 2023 CA LYS A 133 -4.551 -8.545 7.862 1.00 61.12 C ATOM 2024 C LYS A 133 -4.785 -7.462 6.798 1.00 72.03 C ATOM 2025 O LYS A 133 -4.918 -6.278 7.123 1.00 51.15 O ATOM 2026 CB LYS A 133 -5.901 -9.202 8.210 1.00 60.53 C ATOM 2027 CG LYS A 133 -6.967 -8.197 8.662 1.00 34.41 C ATOM 2028 CD LYS A 133 -8.359 -8.819 8.776 1.00 13.34 C ATOM 2029 CE LYS A 133 -9.417 -7.762 9.090 1.00 11.43 C ATOM 2030 NZ LYS A 133 -10.800 -8.313 9.062 1.00 21.13 N ATOM 0 H LYS A 133 -4.596 -7.548 9.712 1.00 30.20 H new ATOM 0 HA LYS A 133 -3.866 -9.293 7.462 1.00 61.12 H new ATOM 0 HB2 LYS A 133 -6.269 -9.744 7.338 1.00 60.53 H new ATOM 0 HB3 LYS A 133 -5.746 -9.937 9.000 1.00 60.53 H new ATOM 0 HG2 LYS A 133 -6.680 -7.780 9.628 1.00 34.41 H new ATOM 0 HG3 LYS A 133 -7.001 -7.368 7.955 1.00 34.41 H new ATOM 0 HD2 LYS A 133 -8.612 -9.323 7.843 1.00 13.34 H new ATOM 0 HD3 LYS A 133 -8.357 -9.578 9.558 1.00 13.34 H new ATOM 0 HE2 LYS A 133 -9.219 -7.336 10.073 1.00 11.43 H new ATOM 0 HE3 LYS A 133 -9.339 -6.949 8.368 1.00 11.43 H new ATOM 0 HZ1 LYS A 133 -11.469 -7.559 8.807 1.00 21.13 H new ATOM 0 HZ2 LYS A 133 -10.855 -9.077 8.359 1.00 21.13 H new ATOM 0 HZ3 LYS A 133 -11.043 -8.688 10.001 1.00 21.13 H new ATOM 2044 N VAL A 134 -4.839 -7.873 5.534 1.00 34.03 N ATOM 2045 CA VAL A 134 -5.216 -6.965 4.445 1.00 11.14 C ATOM 2046 C VAL A 134 -6.687 -6.540 4.578 1.00 31.30 C ATOM 2047 O VAL A 134 -7.564 -7.370 4.835 1.00 64.03 O ATOM 2048 CB VAL A 134 -4.988 -7.616 3.053 1.00 31.13 C ATOM 2049 CG1 VAL A 134 -5.485 -6.710 1.925 1.00 15.32 C ATOM 2050 CG2 VAL A 134 -3.514 -7.957 2.856 1.00 62.43 C ATOM 0 H VAL A 134 -4.628 -8.825 5.235 1.00 34.03 H new ATOM 0 HA VAL A 134 -4.577 -6.086 4.523 1.00 11.14 H new ATOM 0 HB VAL A 134 -5.567 -8.539 3.018 1.00 31.13 H new ATOM 0 HG11 VAL A 134 -5.310 -7.195 0.965 1.00 15.32 H new ATOM 0 HG12 VAL A 134 -6.552 -6.526 2.050 1.00 15.32 H new ATOM 0 HG13 VAL A 134 -4.947 -5.762 1.956 1.00 15.32 H new ATOM 0 HG21 VAL A 134 -3.374 -8.412 1.876 1.00 62.43 H new ATOM 0 HG22 VAL A 134 -2.918 -7.047 2.922 1.00 62.43 H new ATOM 0 HG23 VAL A 134 -3.196 -8.656 3.629 1.00 62.43 H new ATOM 2060 N LEU A 135 -6.949 -5.249 4.417 1.00 31.14 N ATOM 2061 CA LEU A 135 -8.309 -4.720 4.554 1.00 65.40 C ATOM 2062 C LEU A 135 -9.217 -5.155 3.398 1.00 74.13 C ATOM 2063 O LEU A 135 -8.890 -4.953 2.237 1.00 4.40 O ATOM 2064 CB LEU A 135 -8.288 -3.182 4.637 1.00 23.31 C ATOM 2065 CG LEU A 135 -7.953 -2.595 6.016 1.00 75.40 C ATOM 2066 CD1 LEU A 135 -7.960 -1.070 5.968 1.00 32.34 C ATOM 2067 CD2 LEU A 135 -8.941 -3.107 7.062 1.00 53.01 C ATOM 0 H LEU A 135 -6.244 -4.547 4.192 1.00 31.14 H new ATOM 0 HA LEU A 135 -8.715 -5.132 5.478 1.00 65.40 H new ATOM 0 HB2 LEU A 135 -7.561 -2.807 3.916 1.00 23.31 H new ATOM 0 HB3 LEU A 135 -9.264 -2.806 4.330 1.00 23.31 H new ATOM 0 HG LEU A 135 -6.951 -2.920 6.298 1.00 75.40 H new ATOM 0 HD11 LEU A 135 -7.720 -0.674 6.955 1.00 32.34 H new ATOM 0 HD12 LEU A 135 -7.217 -0.725 5.248 1.00 32.34 H new ATOM 0 HD13 LEU A 135 -8.947 -0.720 5.666 1.00 32.34 H new ATOM 0 HD21 LEU A 135 -8.693 -2.684 8.035 1.00 53.01 H new ATOM 0 HD22 LEU A 135 -9.952 -2.809 6.784 1.00 53.01 H new ATOM 0 HD23 LEU A 135 -8.885 -4.194 7.114 1.00 53.01 H new ATOM 2079 N SER A 136 -10.354 -5.767 3.722 1.00 22.13 N ATOM 2080 CA SER A 136 -11.414 -5.970 2.727 1.00 30.04 C ATOM 2081 C SER A 136 -11.966 -4.611 2.288 1.00 72.44 C ATOM 2082 O SER A 136 -11.986 -3.671 3.082 1.00 32.34 O ATOM 2083 CB SER A 136 -12.552 -6.834 3.296 1.00 12.14 C ATOM 2084 OG SER A 136 -12.122 -8.162 3.567 1.00 44.35 O ATOM 0 H SER A 136 -10.567 -6.128 4.652 1.00 22.13 H new ATOM 0 HA SER A 136 -10.988 -6.492 1.870 1.00 30.04 H new ATOM 0 HB2 SER A 136 -12.930 -6.380 4.212 1.00 12.14 H new ATOM 0 HB3 SER A 136 -13.380 -6.857 2.587 1.00 12.14 H new ATOM 0 HG SER A 136 -12.871 -8.681 3.929 1.00 44.35 H new ATOM 2090 N VAL A 137 -12.422 -4.508 1.041 1.00 73.42 N ATOM 2091 CA VAL A 137 -12.889 -3.224 0.497 1.00 40.02 C ATOM 2092 C VAL A 137 -13.868 -2.518 1.454 1.00 63.21 C ATOM 2093 O VAL A 137 -13.719 -1.331 1.743 1.00 34.32 O ATOM 2094 CB VAL A 137 -13.560 -3.404 -0.889 1.00 14.11 C ATOM 2095 CG1 VAL A 137 -14.071 -2.067 -1.430 1.00 10.50 C ATOM 2096 CG2 VAL A 137 -12.589 -4.047 -1.878 1.00 74.24 C ATOM 0 H VAL A 137 -12.480 -5.290 0.388 1.00 73.42 H new ATOM 0 HA VAL A 137 -12.004 -2.598 0.382 1.00 40.02 H new ATOM 0 HB VAL A 137 -14.416 -4.067 -0.764 1.00 14.11 H new ATOM 0 HG11 VAL A 137 -14.537 -2.222 -2.403 1.00 10.50 H new ATOM 0 HG12 VAL A 137 -14.804 -1.651 -0.739 1.00 10.50 H new ATOM 0 HG13 VAL A 137 -13.236 -1.374 -1.534 1.00 10.50 H new ATOM 0 HG21 VAL A 137 -13.079 -4.165 -2.845 1.00 74.24 H new ATOM 0 HG22 VAL A 137 -11.711 -3.411 -1.991 1.00 74.24 H new ATOM 0 HG23 VAL A 137 -12.283 -5.024 -1.505 1.00 74.24 H new ATOM 2106 N LYS A 138 -14.860 -3.252 1.955 1.00 35.23 N ATOM 2107 CA LYS A 138 -15.823 -2.681 2.905 1.00 12.40 C ATOM 2108 C LYS A 138 -15.187 -2.456 4.290 1.00 61.05 C ATOM 2109 O LYS A 138 -15.472 -1.461 4.954 1.00 24.11 O ATOM 2110 CB LYS A 138 -17.055 -3.581 3.056 1.00 52.31 C ATOM 2111 CG LYS A 138 -18.189 -2.915 3.840 1.00 22.13 C ATOM 2112 CD LYS A 138 -19.217 -3.920 4.347 1.00 4.32 C ATOM 2113 CE LYS A 138 -18.630 -4.822 5.426 1.00 51.13 C ATOM 2114 NZ LYS A 138 -19.659 -5.690 6.056 1.00 52.50 N ATOM 0 H LYS A 138 -15.020 -4.233 1.725 1.00 35.23 H new ATOM 0 HA LYS A 138 -16.131 -1.718 2.498 1.00 12.40 H new ATOM 0 HB2 LYS A 138 -17.419 -3.859 2.067 1.00 52.31 H new ATOM 0 HB3 LYS A 138 -16.765 -4.503 3.560 1.00 52.31 H new ATOM 0 HG2 LYS A 138 -17.770 -2.370 4.686 1.00 22.13 H new ATOM 0 HG3 LYS A 138 -18.685 -2.182 3.203 1.00 22.13 H new ATOM 0 HD2 LYS A 138 -20.081 -3.389 4.746 1.00 4.32 H new ATOM 0 HD3 LYS A 138 -19.573 -4.529 3.516 1.00 4.32 H new ATOM 0 HE2 LYS A 138 -17.849 -5.445 4.990 1.00 51.13 H new ATOM 0 HE3 LYS A 138 -18.157 -4.208 6.192 1.00 51.13 H new ATOM 0 HZ1 LYS A 138 -19.213 -6.285 6.783 1.00 52.50 H new ATOM 0 HZ2 LYS A 138 -20.392 -5.097 6.495 1.00 52.50 H new ATOM 0 HZ3 LYS A 138 -20.093 -6.296 5.331 1.00 52.50 H new ATOM 2128 N GLU A 139 -14.321 -3.381 4.718 1.00 70.30 N ATOM 2129 CA GLU A 139 -13.640 -3.271 6.017 1.00 42.13 C ATOM 2130 C GLU A 139 -12.901 -1.930 6.096 1.00 12.22 C ATOM 2131 O GLU A 139 -12.898 -1.250 7.121 1.00 11.11 O ATOM 2132 CB GLU A 139 -12.642 -4.429 6.176 1.00 51.53 C ATOM 2133 CG GLU A 139 -12.000 -4.529 7.557 1.00 2.31 C ATOM 2134 CD GLU A 139 -12.917 -5.158 8.592 1.00 33.44 C ATOM 2135 OE1 GLU A 139 -13.746 -4.438 9.183 1.00 30.34 O ATOM 2136 OE2 GLU A 139 -12.820 -6.384 8.806 1.00 74.51 O ATOM 0 H GLU A 139 -14.074 -4.215 4.185 1.00 70.30 H new ATOM 0 HA GLU A 139 -14.376 -3.322 6.819 1.00 42.13 H new ATOM 0 HB2 GLU A 139 -13.155 -5.366 5.960 1.00 51.53 H new ATOM 0 HB3 GLU A 139 -11.854 -4.317 5.431 1.00 51.53 H new ATOM 0 HG2 GLU A 139 -11.085 -5.117 7.485 1.00 2.31 H new ATOM 0 HG3 GLU A 139 -11.713 -3.532 7.892 1.00 2.31 H new ATOM 2143 N LEU A 140 -12.292 -1.574 4.975 1.00 51.14 N ATOM 2144 CA LEU A 140 -11.645 -0.286 4.782 1.00 40.12 C ATOM 2145 C LEU A 140 -12.641 0.875 4.981 1.00 21.44 C ATOM 2146 O LEU A 140 -12.345 1.848 5.681 1.00 44.32 O ATOM 2147 CB LEU A 140 -11.057 -0.282 3.368 1.00 13.02 C ATOM 2148 CG LEU A 140 -9.883 0.665 3.144 1.00 15.42 C ATOM 2149 CD1 LEU A 140 -9.074 0.217 1.940 1.00 24.12 C ATOM 2150 CD2 LEU A 140 -10.359 2.099 2.963 1.00 71.32 C ATOM 0 H LEU A 140 -12.233 -2.184 4.159 1.00 51.14 H new ATOM 0 HA LEU A 140 -10.856 -0.140 5.520 1.00 40.12 H new ATOM 0 HB2 LEU A 140 -10.735 -1.295 3.125 1.00 13.02 H new ATOM 0 HB3 LEU A 140 -11.849 -0.022 2.666 1.00 13.02 H new ATOM 0 HG LEU A 140 -9.247 0.635 4.029 1.00 15.42 H new ATOM 0 HD11 LEU A 140 -8.238 0.900 1.789 1.00 24.12 H new ATOM 0 HD12 LEU A 140 -8.693 -0.790 2.112 1.00 24.12 H new ATOM 0 HD13 LEU A 140 -9.709 0.219 1.054 1.00 24.12 H new ATOM 0 HD21 LEU A 140 -9.499 2.751 2.805 1.00 71.32 H new ATOM 0 HD22 LEU A 140 -11.021 2.156 2.099 1.00 71.32 H new ATOM 0 HD23 LEU A 140 -10.898 2.419 3.855 1.00 71.32 H new ATOM 2162 N LEU A 141 -13.829 0.753 4.378 1.00 51.42 N ATOM 2163 CA LEU A 141 -14.884 1.773 4.513 1.00 11.30 C ATOM 2164 C LEU A 141 -15.276 1.962 5.987 1.00 52.14 C ATOM 2165 O LEU A 141 -15.458 3.083 6.467 1.00 55.22 O ATOM 2166 CB LEU A 141 -16.129 1.370 3.705 1.00 51.15 C ATOM 2167 CG LEU A 141 -15.877 0.957 2.245 1.00 65.25 C ATOM 2168 CD1 LEU A 141 -17.188 0.594 1.550 1.00 34.04 C ATOM 2169 CD2 LEU A 141 -15.144 2.055 1.482 1.00 70.22 C ATOM 0 H LEU A 141 -14.087 -0.040 3.791 1.00 51.42 H new ATOM 0 HA LEU A 141 -14.490 2.713 4.126 1.00 11.30 H new ATOM 0 HB2 LEU A 141 -16.619 0.542 4.217 1.00 51.15 H new ATOM 0 HB3 LEU A 141 -16.828 2.206 3.710 1.00 51.15 H new ATOM 0 HG LEU A 141 -15.240 0.073 2.252 1.00 65.25 H new ATOM 0 HD11 LEU A 141 -16.985 0.305 0.519 1.00 34.04 H new ATOM 0 HD12 LEU A 141 -17.659 -0.238 2.074 1.00 34.04 H new ATOM 0 HD13 LEU A 141 -17.856 1.455 1.561 1.00 34.04 H new ATOM 0 HD21 LEU A 141 -14.979 1.735 0.453 1.00 70.22 H new ATOM 0 HD22 LEU A 141 -15.744 2.965 1.488 1.00 70.22 H new ATOM 0 HD23 LEU A 141 -14.184 2.251 1.959 1.00 70.22 H new