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 100 MET CE :methyl -120:sc= -1.59 (180deg=-3.09!) USER MOD Set 1.2: A 105 ASN : amide:sc= 0.913 K(o=-0.67,f=-1.6) USER MOD Set 2.1: A 53 ASN : amide:sc= 0.769 K(o=2.1,f=0.73) USER MOD Set 2.2: A 103 TYR OH : rot 135:sc= 1.31 USER MOD Set 3.1: A 23 MET CE :methyl -159:sc= -1.77 (180deg=-2.12!) USER MOD Set 3.2: A 126 THR OG1 : rot -28:sc= 0.2 USER MOD Single : A 30 SER OG : rot -30:sc= -4.41! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.21 K(o=-1.2,f=-11!) USER MOD Single : A 63 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.42) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= 1.18 (180deg=0.871) USER MOD Single : A 76 LYS NZ :NH3+ -148:sc= -1.95! (180deg=-4.21!) USER MOD Single : A 77 THR OG1 : rot -171:sc= 1.7 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.971) USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.17) USER MOD Single : A 95 MET CE :methyl -108:sc= -1.73 (180deg=-6.49!) USER MOD Single : A 106 MET CE :methyl -163:sc= -0.0132 (180deg=-0.402) USER MOD Single : A 124 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.322) USER MOD Single : A 129 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000736) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 133 LYS NZ :NH3+ 166:sc= 1.16 (180deg=0.624) 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 10.722 1.573 9.545 1.00 14.51 N ATOM 342 CA MET A 23 9.819 1.782 8.413 1.00 31.51 C ATOM 343 C MET A 23 10.477 2.678 7.348 1.00 40.04 C ATOM 344 O MET A 23 11.149 3.660 7.673 1.00 12.43 O ATOM 345 CB MET A 23 8.506 2.393 8.914 1.00 2.31 C ATOM 346 CG MET A 23 8.663 3.774 9.546 1.00 33.11 C ATOM 347 SD MET A 23 7.229 4.254 10.528 1.00 71.12 S ATOM 348 CE MET A 23 5.904 3.697 9.463 1.00 72.34 C ATOM 0 HA MET A 23 9.604 0.822 7.944 1.00 31.51 H new ATOM 0 HB2 MET A 23 7.809 2.464 8.079 1.00 2.31 H new ATOM 0 HB3 MET A 23 8.060 1.719 9.645 1.00 2.31 H new ATOM 0 HG2 MET A 23 9.551 3.781 10.178 1.00 33.11 H new ATOM 0 HG3 MET A 23 8.825 4.513 8.761 1.00 33.11 H new ATOM 0 HE1 MET A 23 4.986 4.227 9.717 1.00 72.34 H new ATOM 0 HE2 MET A 23 6.164 3.898 8.424 1.00 72.34 H new ATOM 0 HE3 MET A 23 5.754 2.626 9.599 1.00 72.34 H new ATOM 358 N LEU A 24 10.279 2.340 6.079 1.00 73.51 N ATOM 359 CA LEU A 24 10.963 3.029 4.977 1.00 61.31 C ATOM 360 C LEU A 24 10.173 4.223 4.443 1.00 22.21 C ATOM 361 O LEU A 24 8.979 4.130 4.165 1.00 42.44 O ATOM 362 CB LEU A 24 11.252 2.049 3.839 1.00 74.24 C ATOM 363 CG LEU A 24 12.463 1.142 4.074 1.00 53.22 C ATOM 364 CD1 LEU A 24 12.468 -0.021 3.092 1.00 53.01 C ATOM 365 CD2 LEU A 24 13.756 1.944 3.956 1.00 14.24 C ATOM 0 H LEU A 24 9.651 1.593 5.782 1.00 73.51 H new ATOM 0 HA LEU A 24 11.898 3.416 5.381 1.00 61.31 H new ATOM 0 HB2 LEU A 24 10.372 1.425 3.681 1.00 74.24 H new ATOM 0 HB3 LEU A 24 11.410 2.615 2.921 1.00 74.24 H new ATOM 0 HG LEU A 24 12.394 0.735 5.083 1.00 53.22 H new ATOM 0 HD11 LEU A 24 13.338 -0.651 3.279 1.00 53.01 H new ATOM 0 HD12 LEU A 24 11.559 -0.609 3.220 1.00 53.01 H new ATOM 0 HD13 LEU A 24 12.511 0.363 2.073 1.00 53.01 H new ATOM 0 HD21 LEU A 24 14.609 1.287 4.125 1.00 14.24 H new ATOM 0 HD22 LEU A 24 13.825 2.378 2.959 1.00 14.24 H new ATOM 0 HD23 LEU A 24 13.759 2.741 4.700 1.00 14.24 H new ATOM 377 N GLU A 25 10.864 5.343 4.292 1.00 54.31 N ATOM 378 CA GLU A 25 10.271 6.542 3.697 1.00 22.23 C ATOM 379 C GLU A 25 10.220 6.431 2.178 1.00 14.44 C ATOM 380 O GLU A 25 11.247 6.313 1.504 1.00 53.35 O ATOM 381 CB GLU A 25 11.035 7.793 4.125 1.00 25.43 C ATOM 382 CG GLU A 25 10.675 8.230 5.533 1.00 21.52 C ATOM 383 CD GLU A 25 11.684 9.196 6.136 1.00 61.45 C ATOM 384 OE1 GLU A 25 12.857 8.800 6.310 1.00 3.52 O ATOM 385 OE2 GLU A 25 11.320 10.354 6.424 1.00 44.33 O ATOM 0 H GLU A 25 11.839 5.451 4.573 1.00 54.31 H new ATOM 0 HA GLU A 25 9.247 6.627 4.061 1.00 22.23 H new ATOM 0 HB2 GLU A 25 12.106 7.600 4.069 1.00 25.43 H new ATOM 0 HB3 GLU A 25 10.821 8.604 3.429 1.00 25.43 H new ATOM 0 HG2 GLU A 25 9.692 8.702 5.520 1.00 21.52 H new ATOM 0 HG3 GLU A 25 10.598 7.350 6.171 1.00 21.52 H new ATOM 392 N VAL A 26 9.007 6.469 1.656 1.00 52.13 N ATOM 393 CA VAL A 26 8.757 6.232 0.227 1.00 75.12 C ATOM 394 C VAL A 26 7.705 7.191 -0.339 1.00 23.24 C ATOM 395 O VAL A 26 6.975 7.835 0.409 1.00 55.21 O ATOM 396 CB VAL A 26 8.275 4.774 -0.025 1.00 2.34 C ATOM 397 CG1 VAL A 26 9.336 3.754 0.391 1.00 14.33 C ATOM 398 CG2 VAL A 26 6.956 4.509 0.700 1.00 24.22 C ATOM 0 H VAL A 26 8.165 6.663 2.199 1.00 52.13 H new ATOM 0 HA VAL A 26 9.707 6.404 -0.280 1.00 75.12 H new ATOM 0 HB VAL A 26 8.109 4.660 -1.096 1.00 2.34 H new ATOM 0 HG11 VAL A 26 8.966 2.746 0.201 1.00 14.33 H new ATOM 0 HG12 VAL A 26 10.246 3.921 -0.185 1.00 14.33 H new ATOM 0 HG13 VAL A 26 9.553 3.867 1.453 1.00 14.33 H new ATOM 0 HG21 VAL A 26 6.636 3.484 0.511 1.00 24.22 H new ATOM 0 HG22 VAL A 26 7.094 4.654 1.771 1.00 24.22 H new ATOM 0 HG23 VAL A 26 6.195 5.199 0.335 1.00 24.22 H new ATOM 408 N GLU A 27 7.632 7.286 -1.665 1.00 4.11 N ATOM 409 CA GLU A 27 6.551 8.037 -2.319 1.00 5.11 C ATOM 410 C GLU A 27 5.453 7.079 -2.811 1.00 33.45 C ATOM 411 O GLU A 27 5.715 6.169 -3.596 1.00 32.24 O ATOM 412 CB GLU A 27 7.087 8.874 -3.491 1.00 2.51 C ATOM 413 CG GLU A 27 6.034 9.789 -4.114 1.00 5.35 C ATOM 414 CD GLU A 27 6.585 10.652 -5.238 1.00 23.32 C ATOM 415 OE1 GLU A 27 7.354 11.591 -4.952 1.00 24.23 O ATOM 416 OE2 GLU A 27 6.236 10.409 -6.413 1.00 42.32 O ATOM 0 H GLU A 27 8.300 6.858 -2.307 1.00 4.11 H new ATOM 0 HA GLU A 27 6.123 8.717 -1.583 1.00 5.11 H new ATOM 0 HB2 GLU A 27 7.924 9.480 -3.143 1.00 2.51 H new ATOM 0 HB3 GLU A 27 7.476 8.204 -4.258 1.00 2.51 H new ATOM 0 HG2 GLU A 27 5.215 9.181 -4.498 1.00 5.35 H new ATOM 0 HG3 GLU A 27 5.617 10.433 -3.340 1.00 5.35 H new ATOM 423 N VAL A 28 4.229 7.291 -2.333 1.00 74.24 N ATOM 424 CA VAL A 28 3.094 6.404 -2.631 1.00 2.34 C ATOM 425 C VAL A 28 2.251 6.937 -3.800 1.00 0.20 C ATOM 426 O VAL A 28 1.553 7.943 -3.670 1.00 3.02 O ATOM 427 CB VAL A 28 2.179 6.246 -1.391 1.00 0.24 C ATOM 428 CG1 VAL A 28 1.072 5.228 -1.656 1.00 53.43 C ATOM 429 CG2 VAL A 28 2.998 5.867 -0.158 1.00 65.25 C ATOM 0 H VAL A 28 3.991 8.078 -1.730 1.00 74.24 H new ATOM 0 HA VAL A 28 3.513 5.437 -2.907 1.00 2.34 H new ATOM 0 HB VAL A 28 1.704 7.207 -1.193 1.00 0.24 H new ATOM 0 HG11 VAL A 28 0.443 5.135 -0.770 1.00 53.43 H new ATOM 0 HG12 VAL A 28 0.465 5.561 -2.498 1.00 53.43 H new ATOM 0 HG13 VAL A 28 1.516 4.260 -1.889 1.00 53.43 H new ATOM 0 HG21 VAL A 28 2.335 5.761 0.701 1.00 65.25 H new ATOM 0 HG22 VAL A 28 3.511 4.923 -0.338 1.00 65.25 H new ATOM 0 HG23 VAL A 28 3.733 6.646 0.044 1.00 65.25 H new ATOM 439 N ILE A 29 2.302 6.256 -4.940 1.00 5.21 N ATOM 440 CA ILE A 29 1.578 6.713 -6.133 1.00 10.12 C ATOM 441 C ILE A 29 0.211 6.026 -6.272 1.00 33.05 C ATOM 442 O ILE A 29 -0.033 4.979 -5.677 1.00 55.24 O ATOM 443 CB ILE A 29 2.393 6.456 -7.423 1.00 4.22 C ATOM 444 CG1 ILE A 29 3.896 6.607 -7.154 1.00 74.11 C ATOM 445 CG2 ILE A 29 1.950 7.422 -8.521 1.00 65.15 C ATOM 446 CD1 ILE A 29 4.758 6.279 -8.349 1.00 72.44 C ATOM 0 H ILE A 29 2.830 5.393 -5.068 1.00 5.21 H new ATOM 0 HA ILE A 29 1.427 7.785 -6.003 1.00 10.12 H new ATOM 0 HB ILE A 29 2.207 5.434 -7.754 1.00 4.22 H new ATOM 0 HG12 ILE A 29 4.100 7.631 -6.839 1.00 74.11 H new ATOM 0 HG13 ILE A 29 4.176 5.957 -6.325 1.00 74.11 H new ATOM 0 HG21 ILE A 29 2.528 7.235 -9.426 1.00 65.15 H new ATOM 0 HG22 ILE A 29 0.891 7.274 -8.730 1.00 65.15 H new ATOM 0 HG23 ILE A 29 2.114 8.448 -8.191 1.00 65.15 H new ATOM 0 HD11 ILE A 29 5.808 6.407 -8.086 1.00 72.44 H new ATOM 0 HD12 ILE A 29 4.583 5.246 -8.651 1.00 72.44 H new ATOM 0 HD13 ILE A 29 4.506 6.946 -9.173 1.00 72.44 H new ATOM 458 N SER A 30 -0.676 6.628 -7.067 1.00 45.10 N ATOM 459 CA SER A 30 -1.982 6.027 -7.379 1.00 13.02 C ATOM 460 C SER A 30 -2.237 6.009 -8.888 1.00 11.03 C ATOM 461 O SER A 30 -2.692 6.994 -9.465 1.00 72.25 O ATOM 462 CB SER A 30 -3.113 6.769 -6.661 1.00 3.45 C ATOM 463 OG SER A 30 -3.011 6.604 -5.258 1.00 62.11 O ATOM 0 H SER A 30 -0.517 7.533 -7.509 1.00 45.10 H new ATOM 0 HA SER A 30 -1.962 4.997 -7.023 1.00 13.02 H new ATOM 0 HB2 SER A 30 -3.075 7.829 -6.911 1.00 3.45 H new ATOM 0 HB3 SER A 30 -4.077 6.395 -7.007 1.00 3.45 H new ATOM 0 HG SER A 30 -2.599 5.737 -5.060 1.00 62.11 H new ATOM 469 N GLY A 31 -1.925 4.882 -9.523 1.00 60.54 N ATOM 470 CA GLY A 31 -2.094 4.759 -10.968 1.00 33.14 C ATOM 471 C GLY A 31 -3.516 4.386 -11.374 1.00 22.40 C ATOM 472 O GLY A 31 -4.053 3.371 -10.927 1.00 12.24 O ATOM 0 H GLY A 31 -1.557 4.048 -9.065 1.00 60.54 H new ATOM 0 HA2 GLY A 31 -1.823 5.703 -11.441 1.00 33.14 H new ATOM 0 HA3 GLY A 31 -1.405 4.004 -11.346 1.00 33.14 H new ATOM 711 N GLU A 47 -12.868 -8.152 -9.436 1.00 72.33 N ATOM 712 CA GLU A 47 -11.830 -7.573 -10.298 1.00 41.14 C ATOM 713 C GLU A 47 -11.271 -6.281 -9.678 1.00 34.01 C ATOM 714 O GLU A 47 -10.077 -6.000 -9.762 1.00 24.01 O ATOM 715 CB GLU A 47 -12.416 -7.277 -11.687 1.00 65.53 C ATOM 716 CG GLU A 47 -13.116 -8.475 -12.330 1.00 70.35 C ATOM 717 CD GLU A 47 -13.899 -8.106 -13.584 1.00 62.04 C ATOM 718 OE1 GLU A 47 -15.083 -7.713 -13.460 1.00 63.44 O ATOM 719 OE2 GLU A 47 -13.339 -8.213 -14.694 1.00 30.51 O ATOM 0 HA GLU A 47 -11.015 -8.290 -10.395 1.00 41.14 H new ATOM 0 HB2 GLU A 47 -13.127 -6.455 -11.603 1.00 65.53 H new ATOM 0 HB3 GLU A 47 -11.615 -6.940 -12.345 1.00 65.53 H new ATOM 0 HG2 GLU A 47 -12.372 -9.231 -12.582 1.00 70.35 H new ATOM 0 HG3 GLU A 47 -13.794 -8.925 -11.605 1.00 70.35 H new ATOM 726 N TYR A 48 -12.155 -5.511 -9.039 1.00 3.04 N ATOM 727 CA TYR A 48 -11.777 -4.272 -8.348 1.00 1.22 C ATOM 728 C TYR A 48 -10.863 -4.583 -7.152 1.00 24.21 C ATOM 729 O TYR A 48 -9.856 -3.912 -6.927 1.00 52.12 O ATOM 730 CB TYR A 48 -13.049 -3.558 -7.865 1.00 74.11 C ATOM 731 CG TYR A 48 -12.872 -2.091 -7.495 1.00 2.01 C ATOM 732 CD1 TYR A 48 -12.261 -1.706 -6.308 1.00 35.52 C ATOM 733 CD2 TYR A 48 -13.340 -1.089 -8.337 1.00 2.33 C ATOM 734 CE1 TYR A 48 -12.124 -0.372 -5.978 1.00 63.54 C ATOM 735 CE2 TYR A 48 -13.207 0.245 -8.018 1.00 44.45 C ATOM 736 CZ TYR A 48 -12.597 0.601 -6.834 1.00 61.53 C ATOM 737 OH TYR A 48 -12.457 1.931 -6.502 1.00 44.10 O ATOM 0 H TYR A 48 -13.151 -5.726 -8.985 1.00 3.04 H new ATOM 0 HA TYR A 48 -11.233 -3.627 -9.038 1.00 1.22 H new ATOM 0 HB2 TYR A 48 -13.805 -3.630 -8.647 1.00 74.11 H new ATOM 0 HB3 TYR A 48 -13.437 -4.090 -6.997 1.00 74.11 H new ATOM 0 HD1 TYR A 48 -11.887 -2.462 -5.633 1.00 35.52 H new ATOM 0 HD2 TYR A 48 -13.820 -1.363 -9.265 1.00 2.33 H new ATOM 0 HE1 TYR A 48 -11.647 -0.091 -5.051 1.00 63.54 H new ATOM 0 HE2 TYR A 48 -13.577 1.005 -8.690 1.00 44.45 H new ATOM 0 HH TYR A 48 -12.841 2.487 -7.211 1.00 44.10 H new ATOM 747 N PHE A 49 -11.224 -5.625 -6.404 1.00 5.43 N ATOM 748 CA PHE A 49 -10.458 -6.064 -5.236 1.00 12.33 C ATOM 749 C PHE A 49 -9.019 -6.418 -5.640 1.00 55.20 C ATOM 750 O PHE A 49 -8.062 -5.774 -5.211 1.00 2.32 O ATOM 751 CB PHE A 49 -11.159 -7.277 -4.590 1.00 40.24 C ATOM 752 CG PHE A 49 -10.434 -7.877 -3.404 1.00 44.44 C ATOM 753 CD1 PHE A 49 -10.638 -7.386 -2.120 1.00 24.33 C ATOM 754 CD2 PHE A 49 -9.558 -8.942 -3.573 1.00 1.42 C ATOM 755 CE1 PHE A 49 -9.980 -7.940 -1.037 1.00 11.32 C ATOM 756 CE2 PHE A 49 -8.898 -9.497 -2.492 1.00 32.04 C ATOM 757 CZ PHE A 49 -9.112 -8.998 -1.223 1.00 63.54 C ATOM 0 H PHE A 49 -12.054 -6.188 -6.589 1.00 5.43 H new ATOM 0 HA PHE A 49 -10.412 -5.253 -4.509 1.00 12.33 H new ATOM 0 HB2 PHE A 49 -12.157 -6.974 -4.272 1.00 40.24 H new ATOM 0 HB3 PHE A 49 -11.287 -8.050 -5.348 1.00 40.24 H new ATOM 0 HD1 PHE A 49 -11.319 -6.562 -1.966 1.00 24.33 H new ATOM 0 HD2 PHE A 49 -9.390 -9.342 -4.562 1.00 1.42 H new ATOM 0 HE1 PHE A 49 -10.145 -7.545 -0.045 1.00 11.32 H new ATOM 0 HE2 PHE A 49 -8.215 -10.321 -2.641 1.00 32.04 H new ATOM 0 HZ PHE A 49 -8.602 -9.434 -0.377 1.00 63.54 H new ATOM 767 N ASN A 50 -8.885 -7.419 -6.506 1.00 33.41 N ATOM 768 CA ASN A 50 -7.570 -7.894 -6.953 1.00 24.34 C ATOM 769 C ASN A 50 -6.751 -6.796 -7.654 1.00 52.43 C ATOM 770 O ASN A 50 -5.519 -6.858 -7.691 1.00 12.33 O ATOM 771 CB ASN A 50 -7.742 -9.100 -7.888 1.00 61.14 C ATOM 772 CG ASN A 50 -8.219 -10.338 -7.150 1.00 22.34 C ATOM 773 OD1 ASN A 50 -7.868 -10.561 -5.995 1.00 15.22 O ATOM 774 ND2 ASN A 50 -9.026 -11.145 -7.803 1.00 2.53 N ATOM 0 H ASN A 50 -9.672 -7.922 -6.916 1.00 33.41 H new ATOM 0 HA ASN A 50 -7.013 -8.189 -6.063 1.00 24.34 H new ATOM 0 HB2 ASN A 50 -8.456 -8.850 -8.672 1.00 61.14 H new ATOM 0 HB3 ASN A 50 -6.793 -9.315 -8.378 1.00 61.14 H new ATOM 0 HD21 ASN A 50 -9.381 -11.987 -7.350 1.00 2.53 H new ATOM 0 HD22 ASN A 50 -9.297 -10.929 -8.762 1.00 2.53 H new ATOM 781 N ALA A 51 -7.434 -5.791 -8.199 1.00 73.43 N ATOM 782 CA ALA A 51 -6.771 -4.711 -8.937 1.00 11.05 C ATOM 783 C ALA A 51 -6.086 -3.690 -8.012 1.00 51.22 C ATOM 784 O ALA A 51 -5.056 -3.125 -8.373 1.00 64.22 O ATOM 785 CB ALA A 51 -7.773 -4.000 -9.839 1.00 72.32 C ATOM 0 H ALA A 51 -8.448 -5.700 -8.145 1.00 73.43 H new ATOM 0 HA ALA A 51 -5.990 -5.174 -9.540 1.00 11.05 H new ATOM 0 HB1 ALA A 51 -7.270 -3.200 -10.382 1.00 72.32 H new ATOM 0 HB2 ALA A 51 -8.193 -4.712 -10.549 1.00 72.32 H new ATOM 0 HB3 ALA A 51 -8.574 -3.578 -9.232 1.00 72.32 H new ATOM 791 N VAL A 52 -6.656 -3.448 -6.825 1.00 32.12 N ATOM 792 CA VAL A 52 -6.152 -2.383 -5.930 1.00 54.55 C ATOM 793 C VAL A 52 -5.762 -2.891 -4.523 1.00 75.23 C ATOM 794 O VAL A 52 -5.570 -2.095 -3.605 1.00 45.43 O ATOM 795 CB VAL A 52 -7.200 -1.247 -5.779 1.00 25.04 C ATOM 796 CG1 VAL A 52 -7.536 -0.631 -7.138 1.00 65.44 C ATOM 797 CG2 VAL A 52 -8.462 -1.761 -5.083 1.00 41.11 C ATOM 0 H VAL A 52 -7.456 -3.964 -6.460 1.00 32.12 H new ATOM 0 HA VAL A 52 -5.247 -2.007 -6.407 1.00 54.55 H new ATOM 0 HB VAL A 52 -6.766 -0.466 -5.155 1.00 25.04 H new ATOM 0 HG11 VAL A 52 -8.272 0.162 -7.006 1.00 65.44 H new ATOM 0 HG12 VAL A 52 -6.632 -0.216 -7.583 1.00 65.44 H new ATOM 0 HG13 VAL A 52 -7.944 -1.399 -7.795 1.00 65.44 H new ATOM 0 HG21 VAL A 52 -9.182 -0.948 -4.988 1.00 41.11 H new ATOM 0 HG22 VAL A 52 -8.900 -2.567 -5.672 1.00 41.11 H new ATOM 0 HG23 VAL A 52 -8.204 -2.135 -4.092 1.00 41.11 H new ATOM 807 N ASN A 53 -5.624 -4.205 -4.358 1.00 62.41 N ATOM 808 CA ASN A 53 -5.292 -4.792 -3.043 1.00 3.55 C ATOM 809 C ASN A 53 -3.789 -5.072 -2.873 1.00 62.44 C ATOM 810 O ASN A 53 -3.394 -5.836 -1.993 1.00 0.33 O ATOM 811 CB ASN A 53 -6.095 -6.084 -2.831 1.00 13.20 C ATOM 812 CG ASN A 53 -7.334 -5.855 -1.989 1.00 53.13 C ATOM 813 OD1 ASN A 53 -7.363 -6.169 -0.803 1.00 75.13 O ATOM 814 ND2 ASN A 53 -8.351 -5.254 -2.574 1.00 4.34 N ATOM 0 H ASN A 53 -5.734 -4.887 -5.108 1.00 62.41 H new ATOM 0 HA ASN A 53 -5.563 -4.054 -2.287 1.00 3.55 H new ATOM 0 HB2 ASN A 53 -6.386 -6.492 -3.799 1.00 13.20 H new ATOM 0 HB3 ASN A 53 -5.462 -6.828 -2.348 1.00 13.20 H new ATOM 0 HD21 ASN A 53 -9.192 -5.038 -2.039 1.00 4.34 H new ATOM 0 HD22 ASN A 53 -8.297 -5.005 -3.562 1.00 4.34 H new ATOM 821 N TYR A 54 -2.947 -4.429 -3.674 1.00 71.31 N ATOM 822 CA TYR A 54 -1.503 -4.690 -3.618 1.00 52.13 C ATOM 823 C TYR A 54 -0.674 -3.431 -3.893 1.00 44.41 C ATOM 824 O TYR A 54 -1.157 -2.470 -4.493 1.00 23.20 O ATOM 825 CB TYR A 54 -1.127 -5.787 -4.624 1.00 61.13 C ATOM 826 CG TYR A 54 -1.358 -5.396 -6.074 1.00 30.21 C ATOM 827 CD1 TYR A 54 -2.627 -5.453 -6.630 1.00 4.01 C ATOM 828 CD2 TYR A 54 -0.308 -4.960 -6.877 1.00 4.42 C ATOM 829 CE1 TYR A 54 -2.846 -5.092 -7.945 1.00 24.40 C ATOM 830 CE2 TYR A 54 -0.521 -4.594 -8.193 1.00 53.32 C ATOM 831 CZ TYR A 54 -1.794 -4.660 -8.721 1.00 63.04 C ATOM 832 OH TYR A 54 -2.015 -4.291 -10.031 1.00 13.05 O ATOM 0 H TYR A 54 -3.228 -3.731 -4.363 1.00 71.31 H new ATOM 0 HA TYR A 54 -1.274 -5.021 -2.605 1.00 52.13 H new ATOM 0 HB2 TYR A 54 -0.076 -6.045 -4.490 1.00 61.13 H new ATOM 0 HB3 TYR A 54 -1.706 -6.684 -4.403 1.00 61.13 H new ATOM 0 HD1 TYR A 54 -3.458 -5.785 -6.025 1.00 4.01 H new ATOM 0 HD2 TYR A 54 0.689 -4.907 -6.465 1.00 4.42 H new ATOM 0 HE1 TYR A 54 -3.840 -5.148 -8.364 1.00 24.40 H new ATOM 0 HE2 TYR A 54 0.304 -4.258 -8.804 1.00 53.32 H new ATOM 0 HH TYR A 54 -1.169 -4.010 -10.439 1.00 13.05 H new ATOM 842 N ALA A 55 0.581 -3.457 -3.453 1.00 42.53 N ATOM 843 CA ALA A 55 1.531 -2.375 -3.718 1.00 24.54 C ATOM 844 C ALA A 55 2.804 -2.921 -4.380 1.00 14.14 C ATOM 845 O ALA A 55 3.272 -4.008 -4.038 1.00 31.53 O ATOM 846 CB ALA A 55 1.878 -1.650 -2.422 1.00 43.33 C ATOM 0 H ALA A 55 0.969 -4.224 -2.905 1.00 42.53 H new ATOM 0 HA ALA A 55 1.065 -1.667 -4.403 1.00 24.54 H new ATOM 0 HB1 ALA A 55 2.585 -0.848 -2.632 1.00 43.33 H new ATOM 0 HB2 ALA A 55 0.972 -1.230 -1.986 1.00 43.33 H new ATOM 0 HB3 ALA A 55 2.326 -2.354 -1.720 1.00 43.33 H new ATOM 852 N GLU A 56 3.356 -2.173 -5.334 1.00 71.35 N ATOM 853 CA GLU A 56 4.590 -2.581 -6.015 1.00 51.40 C ATOM 854 C GLU A 56 5.821 -1.888 -5.403 1.00 61.21 C ATOM 855 O GLU A 56 5.986 -0.672 -5.522 1.00 3.42 O ATOM 856 CB GLU A 56 4.503 -2.272 -7.519 1.00 44.31 C ATOM 857 CG GLU A 56 3.357 -2.984 -8.238 1.00 33.23 C ATOM 858 CD GLU A 56 3.470 -2.898 -9.756 1.00 53.32 C ATOM 859 OE1 GLU A 56 3.389 -1.779 -10.304 1.00 65.33 O ATOM 860 OE2 GLU A 56 3.646 -3.952 -10.407 1.00 0.13 O ATOM 0 H GLU A 56 2.972 -1.284 -5.654 1.00 71.35 H new ATOM 0 HA GLU A 56 4.703 -3.657 -5.880 1.00 51.40 H new ATOM 0 HB2 GLU A 56 4.388 -1.196 -7.652 1.00 44.31 H new ATOM 0 HB3 GLU A 56 5.444 -2.553 -7.992 1.00 44.31 H new ATOM 0 HG2 GLU A 56 3.341 -4.032 -7.938 1.00 33.23 H new ATOM 0 HG3 GLU A 56 2.409 -2.547 -7.923 1.00 33.23 H new ATOM 867 N ILE A 57 6.677 -2.674 -4.744 1.00 3.12 N ATOM 868 CA ILE A 57 7.887 -2.148 -4.090 1.00 2.10 C ATOM 869 C ILE A 57 9.160 -2.616 -4.823 1.00 55.20 C ATOM 870 O ILE A 57 9.177 -3.692 -5.424 1.00 71.00 O ATOM 871 CB ILE A 57 7.978 -2.602 -2.599 1.00 15.33 C ATOM 872 CG1 ILE A 57 6.672 -2.306 -1.829 1.00 73.44 C ATOM 873 CG2 ILE A 57 9.162 -1.934 -1.904 1.00 32.50 C ATOM 874 CD1 ILE A 57 5.589 -3.349 -2.025 1.00 2.21 C ATOM 0 H ILE A 57 6.557 -3.682 -4.647 1.00 3.12 H new ATOM 0 HA ILE A 57 7.816 -1.061 -4.130 1.00 2.10 H new ATOM 0 HB ILE A 57 8.129 -3.682 -2.597 1.00 15.33 H new ATOM 0 HG12 ILE A 57 6.899 -2.229 -0.766 1.00 73.44 H new ATOM 0 HG13 ILE A 57 6.289 -1.336 -2.144 1.00 73.44 H new ATOM 0 HG21 ILE A 57 9.208 -2.264 -0.866 1.00 32.50 H new ATOM 0 HG22 ILE A 57 10.086 -2.209 -2.413 1.00 32.50 H new ATOM 0 HG23 ILE A 57 9.039 -0.851 -1.936 1.00 32.50 H new ATOM 0 HD11 ILE A 57 4.705 -3.068 -1.452 1.00 2.21 H new ATOM 0 HD12 ILE A 57 5.331 -3.411 -3.082 1.00 2.21 H new ATOM 0 HD13 ILE A 57 5.951 -4.318 -1.682 1.00 2.21 H new ATOM 886 N ASN A 58 10.218 -1.801 -4.781 1.00 0.02 N ATOM 887 CA ASN A 58 11.520 -2.185 -5.349 1.00 14.40 C ATOM 888 C ASN A 58 12.220 -3.212 -4.442 1.00 44.24 C ATOM 889 O ASN A 58 12.110 -3.143 -3.216 1.00 65.01 O ATOM 890 CB ASN A 58 12.402 -0.936 -5.537 1.00 53.32 C ATOM 891 CG ASN A 58 13.722 -1.223 -6.248 1.00 4.32 C ATOM 892 OD1 ASN A 58 14.345 -2.260 -6.057 1.00 51.24 O ATOM 893 ND2 ASN A 58 14.149 -0.311 -7.094 1.00 53.42 N ATOM 0 H ASN A 58 10.202 -0.872 -4.361 1.00 0.02 H new ATOM 0 HA ASN A 58 11.357 -2.646 -6.323 1.00 14.40 H new ATOM 0 HB2 ASN A 58 11.846 -0.191 -6.107 1.00 53.32 H new ATOM 0 HB3 ASN A 58 12.612 -0.499 -4.561 1.00 53.32 H new ATOM 0 HD21 ASN A 58 15.017 -0.459 -7.609 1.00 53.42 H new ATOM 0 HD22 ASN A 58 13.612 0.545 -7.236 1.00 53.42 H new ATOM 900 N GLU A 59 12.948 -4.156 -5.046 1.00 52.13 N ATOM 901 CA GLU A 59 13.626 -5.217 -4.291 1.00 31.22 C ATOM 902 C GLU A 59 14.564 -4.654 -3.203 1.00 33.45 C ATOM 903 O GLU A 59 14.730 -5.258 -2.144 1.00 61.14 O ATOM 904 CB GLU A 59 14.403 -6.154 -5.225 1.00 15.43 C ATOM 905 CG GLU A 59 15.064 -7.306 -4.479 1.00 75.35 C ATOM 906 CD GLU A 59 15.492 -8.453 -5.379 1.00 4.43 C ATOM 907 OE1 GLU A 59 14.670 -8.916 -6.194 1.00 21.13 O ATOM 908 OE2 GLU A 59 16.639 -8.926 -5.243 1.00 71.43 O ATOM 0 H GLU A 59 13.084 -4.208 -6.056 1.00 52.13 H new ATOM 0 HA GLU A 59 12.844 -5.788 -3.790 1.00 31.22 H new ATOM 0 HB2 GLU A 59 13.725 -6.555 -5.978 1.00 15.43 H new ATOM 0 HB3 GLU A 59 15.166 -5.583 -5.754 1.00 15.43 H new ATOM 0 HG2 GLU A 59 15.937 -6.929 -3.947 1.00 75.35 H new ATOM 0 HG3 GLU A 59 14.372 -7.685 -3.727 1.00 75.35 H new ATOM 915 N GLU A 60 15.165 -3.501 -3.468 1.00 71.12 N ATOM 916 CA GLU A 60 16.013 -2.815 -2.482 1.00 61.02 C ATOM 917 C GLU A 60 15.270 -2.568 -1.155 1.00 33.11 C ATOM 918 O GLU A 60 15.722 -2.993 -0.089 1.00 23.01 O ATOM 919 CB GLU A 60 16.505 -1.485 -3.063 1.00 45.12 C ATOM 920 CG GLU A 60 17.679 -1.623 -4.023 1.00 44.12 C ATOM 921 CD GLU A 60 18.976 -1.976 -3.309 1.00 55.32 C ATOM 922 OE1 GLU A 60 19.644 -1.055 -2.789 1.00 74.50 O ATOM 923 OE2 GLU A 60 19.338 -3.173 -3.263 1.00 43.31 O ATOM 0 H GLU A 60 15.085 -3.013 -4.360 1.00 71.12 H new ATOM 0 HA GLU A 60 16.863 -3.462 -2.265 1.00 61.02 H new ATOM 0 HB2 GLU A 60 15.679 -1.000 -3.583 1.00 45.12 H new ATOM 0 HB3 GLU A 60 16.795 -0.828 -2.243 1.00 45.12 H new ATOM 0 HG2 GLU A 60 17.453 -2.393 -4.761 1.00 44.12 H new ATOM 0 HG3 GLU A 60 17.811 -0.688 -4.568 1.00 44.12 H new ATOM 930 N ASP A 61 14.137 -1.872 -1.228 1.00 55.25 N ATOM 931 CA ASP A 61 13.302 -1.623 -0.048 1.00 54.13 C ATOM 932 C ASP A 61 12.688 -2.939 0.464 1.00 3.31 C ATOM 933 O ASP A 61 12.533 -3.151 1.671 1.00 32.32 O ATOM 934 CB ASP A 61 12.199 -0.617 -0.400 1.00 14.00 C ATOM 935 CG ASP A 61 12.761 0.654 -1.015 1.00 34.34 C ATOM 936 OD1 ASP A 61 12.965 0.676 -2.244 1.00 13.25 O ATOM 937 OD2 ASP A 61 13.013 1.627 -0.273 1.00 4.04 O ATOM 0 H ASP A 61 13.773 -1.469 -2.092 1.00 55.25 H new ATOM 0 HA ASP A 61 13.923 -1.206 0.745 1.00 54.13 H new ATOM 0 HB2 ASP A 61 11.498 -1.077 -1.096 1.00 14.00 H new ATOM 0 HB3 ASP A 61 11.637 -0.366 0.500 1.00 14.00 H new ATOM 942 N TRP A 62 12.367 -3.818 -0.480 1.00 64.41 N ATOM 943 CA TRP A 62 11.829 -5.153 -0.196 1.00 65.53 C ATOM 944 C TRP A 62 12.728 -5.926 0.790 1.00 74.03 C ATOM 945 O TRP A 62 12.257 -6.465 1.797 1.00 74.03 O ATOM 946 CB TRP A 62 11.724 -5.913 -1.525 1.00 64.22 C ATOM 947 CG TRP A 62 11.061 -7.254 -1.453 1.00 74.41 C ATOM 948 CD1 TRP A 62 11.642 -8.449 -1.138 1.00 23.45 C ATOM 949 CD2 TRP A 62 9.692 -7.538 -1.742 1.00 42.13 C ATOM 950 NE1 TRP A 62 10.713 -9.454 -1.203 1.00 13.52 N ATOM 951 CE2 TRP A 62 9.507 -8.919 -1.571 1.00 53.23 C ATOM 952 CE3 TRP A 62 8.600 -6.753 -2.119 1.00 75.41 C ATOM 953 CZ2 TRP A 62 8.277 -9.533 -1.770 1.00 32.51 C ATOM 954 CZ3 TRP A 62 7.379 -7.364 -2.317 1.00 31.21 C ATOM 955 CH2 TRP A 62 7.225 -8.743 -2.141 1.00 3.41 C ATOM 0 H TRP A 62 12.473 -3.626 -1.476 1.00 64.41 H new ATOM 0 HA TRP A 62 10.849 -5.057 0.271 1.00 65.53 H new ATOM 0 HB2 TRP A 62 11.175 -5.294 -2.235 1.00 64.22 H new ATOM 0 HB3 TRP A 62 12.728 -6.045 -1.928 1.00 64.22 H new ATOM 0 HD1 TRP A 62 12.681 -8.582 -0.876 1.00 23.45 H new ATOM 0 HE1 TRP A 62 10.890 -10.440 -1.009 1.00 13.52 H new ATOM 0 HE3 TRP A 62 8.709 -5.687 -2.253 1.00 75.41 H new ATOM 0 HZ2 TRP A 62 8.156 -10.598 -1.636 1.00 32.51 H new ATOM 0 HZ3 TRP A 62 6.528 -6.768 -2.613 1.00 31.21 H new ATOM 0 HH2 TRP A 62 6.256 -9.192 -2.301 1.00 3.41 H new ATOM 966 N ASN A 63 14.025 -5.967 0.493 1.00 0.44 N ATOM 967 CA ASN A 63 15.005 -6.642 1.352 1.00 2.31 C ATOM 968 C ASN A 63 15.199 -5.893 2.680 1.00 21.31 C ATOM 969 O ASN A 63 15.330 -6.509 3.739 1.00 71.01 O ATOM 970 CB ASN A 63 16.347 -6.758 0.625 1.00 34.22 C ATOM 971 CG ASN A 63 16.256 -7.568 -0.653 1.00 53.32 C ATOM 972 OD1 ASN A 63 15.467 -8.501 -0.766 1.00 2.42 O ATOM 973 ND2 ASN A 63 17.062 -7.211 -1.631 1.00 14.41 N ATOM 0 H ASN A 63 14.427 -5.539 -0.341 1.00 0.44 H new ATOM 0 HA ASN A 63 14.622 -7.638 1.576 1.00 2.31 H new ATOM 0 HB2 ASN A 63 16.715 -5.759 0.391 1.00 34.22 H new ATOM 0 HB3 ASN A 63 17.077 -7.219 1.291 1.00 34.22 H new ATOM 0 HD21 ASN A 63 17.043 -7.715 -2.517 1.00 14.41 H new ATOM 0 HD22 ASN A 63 17.705 -6.430 -1.502 1.00 14.41 H new ATOM 980 N ALA A 64 15.207 -4.561 2.612 1.00 42.32 N ATOM 981 CA ALA A 64 15.391 -3.712 3.800 1.00 41.22 C ATOM 982 C ALA A 64 14.349 -4.006 4.893 1.00 33.50 C ATOM 983 O ALA A 64 14.638 -3.906 6.089 1.00 4.24 O ATOM 984 CB ALA A 64 15.333 -2.242 3.399 1.00 3.33 C ATOM 0 H ALA A 64 15.088 -4.040 1.743 1.00 42.32 H new ATOM 0 HA ALA A 64 16.371 -3.941 4.219 1.00 41.22 H new ATOM 0 HB1 ALA A 64 15.470 -1.618 4.282 1.00 3.33 H new ATOM 0 HB2 ALA A 64 16.123 -2.030 2.679 1.00 3.33 H new ATOM 0 HB3 ALA A 64 14.364 -2.026 2.949 1.00 3.33 H new ATOM 990 N LEU A 65 13.133 -4.348 4.474 1.00 51.24 N ATOM 991 CA LEU A 65 12.056 -4.708 5.406 1.00 41.10 C ATOM 992 C LEU A 65 12.013 -6.223 5.674 1.00 21.33 C ATOM 993 O LEU A 65 11.430 -6.668 6.663 1.00 60.22 O ATOM 994 CB LEU A 65 10.704 -4.237 4.845 1.00 75.34 C ATOM 995 CG LEU A 65 10.566 -2.716 4.664 1.00 14.23 C ATOM 996 CD1 LEU A 65 9.252 -2.366 3.970 1.00 22.10 C ATOM 997 CD2 LEU A 65 10.678 -1.995 6.008 1.00 22.11 C ATOM 0 H LEU A 65 12.863 -4.385 3.491 1.00 51.24 H new ATOM 0 HA LEU A 65 12.256 -4.210 6.355 1.00 41.10 H new ATOM 0 HB2 LEU A 65 10.541 -4.718 3.881 1.00 75.34 H new ATOM 0 HB3 LEU A 65 9.912 -4.581 5.511 1.00 75.34 H new ATOM 0 HG LEU A 65 11.384 -2.378 4.028 1.00 14.23 H new ATOM 0 HD11 LEU A 65 9.179 -1.285 3.854 1.00 22.10 H new ATOM 0 HD12 LEU A 65 9.222 -2.839 2.989 1.00 22.10 H new ATOM 0 HD13 LEU A 65 8.416 -2.724 4.571 1.00 22.10 H new ATOM 0 HD21 LEU A 65 10.577 -0.921 5.854 1.00 22.11 H new ATOM 0 HD22 LEU A 65 9.888 -2.342 6.674 1.00 22.11 H new ATOM 0 HD23 LEU A 65 11.649 -2.208 6.455 1.00 22.11 H new ATOM 1009 N GLY A 66 12.641 -7.007 4.798 1.00 0.24 N ATOM 1010 CA GLY A 66 12.600 -8.462 4.921 1.00 33.32 C ATOM 1011 C GLY A 66 11.274 -9.055 4.450 1.00 33.01 C ATOM 1012 O GLY A 66 10.680 -9.905 5.120 1.00 54.14 O ATOM 0 H GLY A 66 13.179 -6.662 4.003 1.00 0.24 H new ATOM 0 HA2 GLY A 66 13.414 -8.895 4.340 1.00 33.32 H new ATOM 0 HA3 GLY A 66 12.769 -8.740 5.961 1.00 33.32 H new ATOM 1016 N LEU A 67 10.811 -8.602 3.289 1.00 35.50 N ATOM 1017 CA LEU A 67 9.514 -9.023 2.745 1.00 70.15 C ATOM 1018 C LEU A 67 9.604 -10.348 1.976 1.00 20.31 C ATOM 1019 O LEU A 67 10.593 -10.627 1.296 1.00 4.35 O ATOM 1020 CB LEU A 67 8.969 -7.930 1.818 1.00 13.32 C ATOM 1021 CG LEU A 67 8.623 -6.603 2.508 1.00 22.44 C ATOM 1022 CD1 LEU A 67 8.302 -5.522 1.478 1.00 15.34 C ATOM 1023 CD2 LEU A 67 7.456 -6.798 3.468 1.00 65.22 C ATOM 0 H LEU A 67 11.315 -7.939 2.700 1.00 35.50 H new ATOM 0 HA LEU A 67 8.841 -9.179 3.588 1.00 70.15 H new ATOM 0 HB2 LEU A 67 9.706 -7.735 1.039 1.00 13.32 H new ATOM 0 HB3 LEU A 67 8.075 -8.308 1.323 1.00 13.32 H new ATOM 0 HG LEU A 67 9.491 -6.274 3.079 1.00 22.44 H new ATOM 0 HD11 LEU A 67 8.060 -4.591 1.991 1.00 15.34 H new ATOM 0 HD12 LEU A 67 9.166 -5.366 0.832 1.00 15.34 H new ATOM 0 HD13 LEU A 67 7.450 -5.836 0.875 1.00 15.34 H new ATOM 0 HD21 LEU A 67 7.220 -5.850 3.951 1.00 65.22 H new ATOM 0 HD22 LEU A 67 6.585 -7.150 2.915 1.00 65.22 H new ATOM 0 HD23 LEU A 67 7.727 -7.534 4.225 1.00 65.22 H new ATOM 1035 N GLN A 68 8.563 -11.168 2.102 1.00 25.44 N ATOM 1036 CA GLN A 68 8.416 -12.374 1.282 1.00 14.34 C ATOM 1037 C GLN A 68 7.424 -12.134 0.143 1.00 45.31 C ATOM 1038 O GLN A 68 6.560 -11.259 0.228 1.00 73.11 O ATOM 1039 CB GLN A 68 7.954 -13.559 2.139 1.00 14.24 C ATOM 1040 CG GLN A 68 9.060 -14.144 3.012 1.00 32.42 C ATOM 1041 CD GLN A 68 8.601 -15.322 3.856 1.00 74.44 C ATOM 1042 OE1 GLN A 68 7.437 -15.421 4.238 1.00 43.04 O ATOM 1043 NE2 GLN A 68 9.514 -16.226 4.155 1.00 53.21 N ATOM 0 H GLN A 68 7.804 -11.020 2.767 1.00 25.44 H new ATOM 0 HA GLN A 68 9.390 -12.611 0.854 1.00 14.34 H new ATOM 0 HB2 GLN A 68 7.130 -13.237 2.776 1.00 14.24 H new ATOM 0 HB3 GLN A 68 7.565 -14.340 1.486 1.00 14.24 H new ATOM 0 HG2 GLN A 68 9.886 -14.462 2.375 1.00 32.42 H new ATOM 0 HG3 GLN A 68 9.446 -13.364 3.669 1.00 32.42 H new ATOM 0 HE21 GLN A 68 10.471 -16.113 3.822 1.00 53.21 H new ATOM 0 HE22 GLN A 68 9.262 -17.038 4.719 1.00 53.21 H new ATOM 1052 N GLU A 69 7.544 -12.909 -0.926 1.00 30.54 N ATOM 1053 CA GLU A 69 6.664 -12.744 -2.086 1.00 32.25 C ATOM 1054 C GLU A 69 5.246 -13.242 -1.779 1.00 20.52 C ATOM 1055 O GLU A 69 4.927 -14.423 -1.929 1.00 13.24 O ATOM 1056 CB GLU A 69 7.262 -13.435 -3.314 1.00 5.51 C ATOM 1057 CG GLU A 69 8.574 -12.792 -3.747 1.00 53.45 C ATOM 1058 CD GLU A 69 9.144 -13.371 -5.031 1.00 13.51 C ATOM 1059 OE1 GLU A 69 8.694 -12.965 -6.118 1.00 65.31 O ATOM 1060 OE2 GLU A 69 10.066 -14.215 -4.960 1.00 21.34 O ATOM 0 H GLU A 69 8.235 -13.654 -1.019 1.00 30.54 H new ATOM 0 HA GLU A 69 6.584 -11.681 -2.313 1.00 32.25 H new ATOM 0 HB2 GLU A 69 7.431 -14.489 -3.091 1.00 5.51 H new ATOM 0 HB3 GLU A 69 6.549 -13.393 -4.137 1.00 5.51 H new ATOM 0 HG2 GLU A 69 8.417 -11.722 -3.880 1.00 53.45 H new ATOM 0 HG3 GLU A 69 9.307 -12.910 -2.949 1.00 53.45 H new ATOM 1067 N GLY A 70 4.409 -12.306 -1.344 1.00 43.11 N ATOM 1068 CA GLY A 70 3.076 -12.630 -0.841 1.00 4.14 C ATOM 1069 C GLY A 70 2.845 -12.086 0.570 1.00 5.04 C ATOM 1070 O GLY A 70 1.755 -12.224 1.127 1.00 72.43 O ATOM 0 H GLY A 70 4.631 -11.311 -1.329 1.00 43.11 H new ATOM 0 HA2 GLY A 70 2.325 -12.218 -1.515 1.00 4.14 H new ATOM 0 HA3 GLY A 70 2.943 -13.712 -0.838 1.00 4.14 H new ATOM 1074 N ASP A 71 3.887 -11.480 1.151 1.00 34.01 N ATOM 1075 CA ASP A 71 3.810 -10.866 2.489 1.00 33.10 C ATOM 1076 C ASP A 71 2.814 -9.684 2.530 1.00 41.30 C ATOM 1077 O ASP A 71 2.285 -9.257 1.500 1.00 71.11 O ATOM 1078 CB ASP A 71 5.209 -10.381 2.910 1.00 34.24 C ATOM 1079 CG ASP A 71 5.532 -10.707 4.355 1.00 52.21 C ATOM 1080 OD1 ASP A 71 4.797 -10.252 5.256 1.00 24.34 O ATOM 1081 OD2 ASP A 71 6.514 -11.441 4.594 1.00 23.51 O ATOM 0 H ASP A 71 4.804 -11.400 0.713 1.00 34.01 H new ATOM 0 HA ASP A 71 3.448 -11.624 3.184 1.00 33.10 H new ATOM 0 HB2 ASP A 71 5.957 -10.838 2.263 1.00 34.24 H new ATOM 0 HB3 ASP A 71 5.275 -9.303 2.762 1.00 34.24 H new ATOM 1086 N ARG A 72 2.582 -9.148 3.731 1.00 70.51 N ATOM 1087 CA ARG A 72 1.635 -8.042 3.926 1.00 44.34 C ATOM 1088 C ARG A 72 2.357 -6.758 4.370 1.00 44.13 C ATOM 1089 O ARG A 72 3.070 -6.747 5.379 1.00 52.34 O ATOM 1090 CB ARG A 72 0.590 -8.438 4.976 1.00 11.42 C ATOM 1091 CG ARG A 72 -0.098 -9.764 4.676 1.00 23.44 C ATOM 1092 CD ARG A 72 -0.997 -10.208 5.825 1.00 74.33 C ATOM 1093 NE ARG A 72 -0.287 -10.227 7.105 1.00 12.12 N ATOM 1094 CZ ARG A 72 0.643 -11.088 7.425 1.00 22.21 C ATOM 1095 NH1 ARG A 72 1.000 -12.019 6.596 1.00 11.41 N ATOM 1096 NH2 ARG A 72 1.215 -11.017 8.584 1.00 61.30 N ATOM 0 H ARG A 72 3.038 -9.462 4.588 1.00 70.51 H new ATOM 0 HA ARG A 72 1.145 -7.842 2.973 1.00 44.34 H new ATOM 0 HB2 ARG A 72 1.072 -8.500 5.952 1.00 11.42 H new ATOM 0 HB3 ARG A 72 -0.163 -7.653 5.042 1.00 11.42 H new ATOM 0 HG2 ARG A 72 -0.691 -9.668 3.767 1.00 23.44 H new ATOM 0 HG3 ARG A 72 0.655 -10.529 4.487 1.00 23.44 H new ATOM 0 HD2 ARG A 72 -1.852 -9.536 5.896 1.00 74.33 H new ATOM 0 HD3 ARG A 72 -1.389 -11.203 5.614 1.00 74.33 H new ATOM 0 HE ARG A 72 -0.535 -9.519 7.796 1.00 12.12 H new ATOM 0 HH11 ARG A 72 0.554 -12.086 5.681 1.00 11.41 H new ATOM 0 HH12 ARG A 72 1.727 -12.684 6.859 1.00 11.41 H new ATOM 0 HH21 ARG A 72 0.940 -10.291 9.245 1.00 61.30 H new ATOM 0 HH22 ARG A 72 1.941 -11.688 8.836 1.00 61.30 H new ATOM 1110 N VAL A 73 2.158 -5.675 3.622 1.00 23.43 N ATOM 1111 CA VAL A 73 2.806 -4.396 3.927 1.00 11.22 C ATOM 1112 C VAL A 73 1.797 -3.317 4.331 1.00 13.03 C ATOM 1113 O VAL A 73 0.694 -3.235 3.787 1.00 12.30 O ATOM 1114 CB VAL A 73 3.638 -3.868 2.730 1.00 62.21 C ATOM 1115 CG1 VAL A 73 4.855 -4.752 2.488 1.00 74.12 C ATOM 1116 CG2 VAL A 73 2.779 -3.766 1.466 1.00 4.10 C ATOM 0 H VAL A 73 1.554 -5.655 2.800 1.00 23.43 H new ATOM 0 HA VAL A 73 3.469 -4.599 4.768 1.00 11.22 H new ATOM 0 HB VAL A 73 3.988 -2.866 2.979 1.00 62.21 H new ATOM 0 HG11 VAL A 73 5.425 -4.364 1.644 1.00 74.12 H new ATOM 0 HG12 VAL A 73 5.484 -4.757 3.378 1.00 74.12 H new ATOM 0 HG13 VAL A 73 4.528 -5.768 2.268 1.00 74.12 H new ATOM 0 HG21 VAL A 73 3.387 -3.393 0.642 1.00 4.10 H new ATOM 0 HG22 VAL A 73 2.388 -4.751 1.212 1.00 4.10 H new ATOM 0 HG23 VAL A 73 1.950 -3.081 1.644 1.00 4.10 H new ATOM 1126 N LYS A 74 2.185 -2.495 5.294 1.00 73.41 N ATOM 1127 CA LYS A 74 1.389 -1.339 5.690 1.00 33.45 C ATOM 1128 C LYS A 74 1.947 -0.063 5.039 1.00 61.11 C ATOM 1129 O LYS A 74 3.155 0.070 4.836 1.00 24.52 O ATOM 1130 CB LYS A 74 1.375 -1.188 7.216 1.00 2.35 C ATOM 1131 CG LYS A 74 0.428 -0.103 7.721 1.00 24.42 C ATOM 1132 CD LYS A 74 0.584 0.141 9.217 1.00 74.44 C ATOM 1133 CE LYS A 74 0.398 -1.125 10.038 1.00 63.13 C ATOM 1134 NZ LYS A 74 0.501 -0.847 11.494 1.00 72.33 N ATOM 0 H LYS A 74 3.052 -2.607 5.820 1.00 73.41 H new ATOM 0 HA LYS A 74 0.365 -1.494 5.349 1.00 33.45 H new ATOM 0 HB2 LYS A 74 1.092 -2.141 7.663 1.00 2.35 H new ATOM 0 HB3 LYS A 74 2.385 -0.963 7.558 1.00 2.35 H new ATOM 0 HG2 LYS A 74 0.618 0.824 7.181 1.00 24.42 H new ATOM 0 HG3 LYS A 74 -0.601 -0.391 7.506 1.00 24.42 H new ATOM 0 HD2 LYS A 74 1.573 0.555 9.413 1.00 74.44 H new ATOM 0 HD3 LYS A 74 -0.143 0.888 9.537 1.00 74.44 H new ATOM 0 HE2 LYS A 74 -0.575 -1.564 9.818 1.00 63.13 H new ATOM 0 HE3 LYS A 74 1.151 -1.860 9.752 1.00 63.13 H new ATOM 0 HZ1 LYS A 74 0.079 -1.633 12.028 1.00 72.33 H new ATOM 0 HZ2 LYS A 74 1.502 -0.747 11.758 1.00 72.33 H new ATOM 0 HZ3 LYS A 74 -0.006 0.034 11.716 1.00 72.33 H new ATOM 1148 N VAL A 75 1.061 0.871 4.730 1.00 52.34 N ATOM 1149 CA VAL A 75 1.426 2.114 4.050 1.00 43.12 C ATOM 1150 C VAL A 75 0.866 3.300 4.834 1.00 43.34 C ATOM 1151 O VAL A 75 -0.333 3.356 5.103 1.00 12.40 O ATOM 1152 CB VAL A 75 0.882 2.148 2.596 1.00 53.25 C ATOM 1153 CG1 VAL A 75 1.279 3.447 1.896 1.00 53.23 C ATOM 1154 CG2 VAL A 75 1.371 0.932 1.804 1.00 42.01 C ATOM 0 H VAL A 75 0.066 0.793 4.942 1.00 52.34 H new ATOM 0 HA VAL A 75 2.513 2.172 4.003 1.00 43.12 H new ATOM 0 HB VAL A 75 -0.206 2.108 2.642 1.00 53.25 H new ATOM 0 HG11 VAL A 75 0.886 3.447 0.879 1.00 53.23 H new ATOM 0 HG12 VAL A 75 0.869 4.295 2.443 1.00 53.23 H new ATOM 0 HG13 VAL A 75 2.366 3.526 1.865 1.00 53.23 H new ATOM 0 HG21 VAL A 75 0.978 0.977 0.788 1.00 42.01 H new ATOM 0 HG22 VAL A 75 2.461 0.933 1.771 1.00 42.01 H new ATOM 0 HG23 VAL A 75 1.023 0.019 2.288 1.00 42.01 H new ATOM 1164 N LYS A 76 1.731 4.231 5.225 1.00 3.51 N ATOM 1165 CA LYS A 76 1.332 5.296 6.150 1.00 4.14 C ATOM 1166 C LYS A 76 1.807 6.676 5.695 1.00 12.14 C ATOM 1167 O LYS A 76 2.980 6.877 5.384 1.00 30.22 O ATOM 1168 CB LYS A 76 1.887 4.992 7.542 1.00 2.51 C ATOM 1169 CG LYS A 76 1.527 3.598 8.034 1.00 3.11 C ATOM 1170 CD LYS A 76 2.078 3.306 9.421 1.00 55.24 C ATOM 1171 CE LYS A 76 1.308 4.035 10.525 1.00 35.55 C ATOM 1172 NZ LYS A 76 1.512 5.511 10.502 1.00 21.52 N ATOM 0 H LYS A 76 2.704 4.273 4.922 1.00 3.51 H new ATOM 0 HA LYS A 76 0.243 5.322 6.171 1.00 4.14 H new ATOM 0 HB2 LYS A 76 2.972 5.097 7.525 1.00 2.51 H new ATOM 0 HB3 LYS A 76 1.506 5.730 8.248 1.00 2.51 H new ATOM 0 HG2 LYS A 76 0.442 3.491 8.048 1.00 3.11 H new ATOM 0 HG3 LYS A 76 1.911 2.858 7.331 1.00 3.11 H new ATOM 0 HD2 LYS A 76 2.040 2.232 9.605 1.00 55.24 H new ATOM 0 HD3 LYS A 76 3.127 3.599 9.460 1.00 55.24 H new ATOM 0 HE2 LYS A 76 0.245 3.819 10.421 1.00 35.55 H new ATOM 0 HE3 LYS A 76 1.619 3.646 11.495 1.00 35.55 H new ATOM 0 HZ1 LYS A 76 1.464 5.883 11.472 1.00 21.52 H new ATOM 0 HZ2 LYS A 76 2.444 5.726 10.094 1.00 21.52 H new ATOM 0 HZ3 LYS A 76 0.770 5.955 9.924 1.00 21.52 H new ATOM 1186 N THR A 77 0.886 7.625 5.678 1.00 55.45 N ATOM 1187 CA THR A 77 1.188 9.010 5.291 1.00 10.13 C ATOM 1188 C THR A 77 0.508 9.996 6.247 1.00 12.31 C ATOM 1189 O THR A 77 -0.046 9.608 7.277 1.00 22.44 O ATOM 1190 CB THR A 77 0.703 9.338 3.855 1.00 10.33 C ATOM 1191 OG1 THR A 77 -0.729 9.425 3.842 1.00 20.34 O ATOM 1192 CG2 THR A 77 1.165 8.288 2.844 1.00 45.31 C ATOM 0 H THR A 77 -0.090 7.467 5.929 1.00 55.45 H new ATOM 0 HA THR A 77 2.273 9.109 5.335 1.00 10.13 H new ATOM 0 HB THR A 77 1.140 10.293 3.563 1.00 10.33 H new ATOM 0 HG1 THR A 77 -1.045 9.487 2.916 1.00 20.34 H new ATOM 0 HG21 THR A 77 0.804 8.556 1.851 1.00 45.31 H new ATOM 0 HG22 THR A 77 2.254 8.246 2.835 1.00 45.31 H new ATOM 0 HG23 THR A 77 0.767 7.313 3.124 1.00 45.31 H new ATOM 1200 N GLU A 78 0.558 11.275 5.895 1.00 31.22 N ATOM 1201 CA GLU A 78 -0.130 12.326 6.654 1.00 50.13 C ATOM 1202 C GLU A 78 -1.664 12.188 6.565 1.00 23.14 C ATOM 1203 O GLU A 78 -2.398 12.797 7.345 1.00 50.54 O ATOM 1204 CB GLU A 78 0.308 13.697 6.127 1.00 22.44 C ATOM 1205 CG GLU A 78 0.018 13.904 4.643 1.00 63.52 C ATOM 1206 CD GLU A 78 0.645 15.174 4.091 1.00 24.43 C ATOM 1207 OE1 GLU A 78 0.079 16.266 4.300 1.00 33.33 O ATOM 1208 OE2 GLU A 78 1.719 15.087 3.461 1.00 52.23 O ATOM 0 H GLU A 78 1.071 11.617 5.082 1.00 31.22 H new ATOM 0 HA GLU A 78 0.144 12.224 7.704 1.00 50.13 H new ATOM 0 HB2 GLU A 78 -0.198 14.475 6.699 1.00 22.44 H new ATOM 0 HB3 GLU A 78 1.377 13.818 6.300 1.00 22.44 H new ATOM 0 HG2 GLU A 78 0.390 13.047 4.082 1.00 63.52 H new ATOM 0 HG3 GLU A 78 -1.061 13.941 4.490 1.00 63.52 H new ATOM 1215 N PHE A 79 -2.141 11.384 5.614 1.00 72.12 N ATOM 1216 CA PHE A 79 -3.584 11.176 5.422 1.00 41.34 C ATOM 1217 C PHE A 79 -4.112 10.006 6.275 1.00 34.32 C ATOM 1218 O PHE A 79 -5.222 10.072 6.813 1.00 31.32 O ATOM 1219 CB PHE A 79 -3.890 10.925 3.937 1.00 61.32 C ATOM 1220 CG PHE A 79 -3.551 12.096 3.048 1.00 30.32 C ATOM 1221 CD1 PHE A 79 -2.285 12.223 2.496 1.00 65.42 C ATOM 1222 CD2 PHE A 79 -4.497 13.072 2.767 1.00 11.05 C ATOM 1223 CE1 PHE A 79 -1.970 13.298 1.685 1.00 41.11 C ATOM 1224 CE2 PHE A 79 -4.187 14.147 1.955 1.00 11.14 C ATOM 1225 CZ PHE A 79 -2.921 14.260 1.415 1.00 63.34 C ATOM 0 H PHE A 79 -1.552 10.864 4.963 1.00 72.12 H new ATOM 0 HA PHE A 79 -4.094 12.082 5.749 1.00 41.34 H new ATOM 0 HB2 PHE A 79 -3.332 10.051 3.602 1.00 61.32 H new ATOM 0 HB3 PHE A 79 -4.949 10.689 3.827 1.00 61.32 H new ATOM 0 HD1 PHE A 79 -1.536 11.473 2.702 1.00 65.42 H new ATOM 0 HD2 PHE A 79 -5.488 12.991 3.188 1.00 11.05 H new ATOM 0 HE1 PHE A 79 -0.980 13.384 1.263 1.00 41.11 H new ATOM 0 HE2 PHE A 79 -4.934 14.898 1.743 1.00 11.14 H new ATOM 0 HZ PHE A 79 -2.676 15.100 0.782 1.00 63.34 H new ATOM 1235 N GLY A 80 -3.322 8.939 6.387 1.00 62.04 N ATOM 1236 CA GLY A 80 -3.721 7.777 7.180 1.00 21.44 C ATOM 1237 C GLY A 80 -2.852 6.550 6.918 1.00 51.11 C ATOM 1238 O GLY A 80 -1.736 6.671 6.409 1.00 54.14 O ATOM 0 H GLY A 80 -2.408 8.855 5.942 1.00 62.04 H new ATOM 0 HA2 GLY A 80 -3.671 8.032 8.239 1.00 21.44 H new ATOM 0 HA3 GLY A 80 -4.760 7.533 6.960 1.00 21.44 H new ATOM 1242 N GLU A 81 -3.356 5.371 7.275 1.00 30.15 N ATOM 1243 CA GLU A 81 -2.626 4.115 7.060 1.00 2.03 C ATOM 1244 C GLU A 81 -3.522 3.017 6.459 1.00 22.03 C ATOM 1245 O GLU A 81 -4.731 2.979 6.693 1.00 35.14 O ATOM 1246 CB GLU A 81 -2.002 3.614 8.376 1.00 12.14 C ATOM 1247 CG GLU A 81 -3.002 3.356 9.505 1.00 35.14 C ATOM 1248 CD GLU A 81 -3.519 4.633 10.153 1.00 21.25 C ATOM 1249 OE1 GLU A 81 -2.821 5.179 11.036 1.00 33.44 O ATOM 1250 OE2 GLU A 81 -4.624 5.091 9.791 1.00 64.23 O ATOM 0 H GLU A 81 -4.269 5.255 7.716 1.00 30.15 H new ATOM 0 HA GLU A 81 -1.834 4.330 6.343 1.00 2.03 H new ATOM 0 HB2 GLU A 81 -1.457 2.692 8.175 1.00 12.14 H new ATOM 0 HB3 GLU A 81 -1.272 4.348 8.717 1.00 12.14 H new ATOM 0 HG2 GLU A 81 -3.846 2.789 9.112 1.00 35.14 H new ATOM 0 HG3 GLU A 81 -2.528 2.736 10.266 1.00 35.14 H new ATOM 1257 N VAL A 82 -2.913 2.124 5.677 1.00 25.33 N ATOM 1258 CA VAL A 82 -3.630 0.996 5.063 1.00 74.30 C ATOM 1259 C VAL A 82 -2.711 -0.236 4.932 1.00 65.21 C ATOM 1260 O VAL A 82 -1.504 -0.096 4.747 1.00 23.03 O ATOM 1261 CB VAL A 82 -4.182 1.387 3.664 1.00 21.33 C ATOM 1262 CG1 VAL A 82 -3.047 1.659 2.676 1.00 31.12 C ATOM 1263 CG2 VAL A 82 -5.145 0.326 3.124 1.00 11.15 C ATOM 0 H VAL A 82 -1.919 2.158 5.451 1.00 25.33 H new ATOM 0 HA VAL A 82 -4.466 0.744 5.715 1.00 74.30 H new ATOM 0 HB VAL A 82 -4.747 2.312 3.783 1.00 21.33 H new ATOM 0 HG11 VAL A 82 -3.465 1.930 1.707 1.00 31.12 H new ATOM 0 HG12 VAL A 82 -2.430 2.478 3.047 1.00 31.12 H new ATOM 0 HG13 VAL A 82 -2.435 0.763 2.569 1.00 31.12 H new ATOM 0 HG21 VAL A 82 -5.512 0.632 2.144 1.00 11.15 H new ATOM 0 HG22 VAL A 82 -4.624 -0.627 3.035 1.00 11.15 H new ATOM 0 HG23 VAL A 82 -5.986 0.216 3.808 1.00 11.15 H new ATOM 1273 N VAL A 83 -3.280 -1.437 5.048 1.00 63.24 N ATOM 1274 CA VAL A 83 -2.503 -2.685 4.922 1.00 50.05 C ATOM 1275 C VAL A 83 -2.882 -3.445 3.632 1.00 71.04 C ATOM 1276 O VAL A 83 -4.037 -3.837 3.454 1.00 12.03 O ATOM 1277 CB VAL A 83 -2.720 -3.608 6.155 1.00 52.23 C ATOM 1278 CG1 VAL A 83 -1.795 -4.826 6.110 1.00 44.32 C ATOM 1279 CG2 VAL A 83 -2.526 -2.835 7.461 1.00 11.31 C ATOM 0 H VAL A 83 -4.274 -1.579 5.229 1.00 63.24 H new ATOM 0 HA VAL A 83 -1.450 -2.408 4.872 1.00 50.05 H new ATOM 0 HB VAL A 83 -3.749 -3.966 6.118 1.00 52.23 H new ATOM 0 HG11 VAL A 83 -1.972 -5.450 6.986 1.00 44.32 H new ATOM 0 HG12 VAL A 83 -1.996 -5.402 5.207 1.00 44.32 H new ATOM 0 HG13 VAL A 83 -0.757 -4.494 6.105 1.00 44.32 H new ATOM 0 HG21 VAL A 83 -2.684 -3.504 8.307 1.00 11.31 H new ATOM 0 HG22 VAL A 83 -1.513 -2.434 7.499 1.00 11.31 H new ATOM 0 HG23 VAL A 83 -3.243 -2.015 7.509 1.00 11.31 H new ATOM 1289 N VAL A 84 -1.907 -3.643 2.740 1.00 35.41 N ATOM 1290 CA VAL A 84 -2.145 -4.290 1.434 1.00 44.42 C ATOM 1291 C VAL A 84 -1.142 -5.435 1.166 1.00 33.42 C ATOM 1292 O VAL A 84 -0.208 -5.650 1.941 1.00 73.02 O ATOM 1293 CB VAL A 84 -2.052 -3.259 0.274 1.00 53.00 C ATOM 1294 CG1 VAL A 84 -3.105 -2.158 0.423 1.00 34.22 C ATOM 1295 CG2 VAL A 84 -0.647 -2.658 0.203 1.00 15.35 C ATOM 0 H VAL A 84 -0.938 -3.365 2.894 1.00 35.41 H new ATOM 0 HA VAL A 84 -3.151 -4.707 1.475 1.00 44.42 H new ATOM 0 HB VAL A 84 -2.252 -3.785 -0.660 1.00 53.00 H new ATOM 0 HG11 VAL A 84 -3.014 -1.453 -0.403 1.00 34.22 H new ATOM 0 HG12 VAL A 84 -4.100 -2.603 0.413 1.00 34.22 H new ATOM 0 HG13 VAL A 84 -2.952 -1.633 1.366 1.00 34.22 H new ATOM 0 HG21 VAL A 84 -0.600 -1.939 -0.614 1.00 15.35 H new ATOM 0 HG22 VAL A 84 -0.418 -2.155 1.143 1.00 15.35 H new ATOM 0 HG23 VAL A 84 0.080 -3.452 0.030 1.00 15.35 H new ATOM 1305 N PHE A 85 -1.342 -6.167 0.063 1.00 73.33 N ATOM 1306 CA PHE A 85 -0.419 -7.247 -0.330 1.00 32.10 C ATOM 1307 C PHE A 85 0.884 -6.685 -0.926 1.00 45.03 C ATOM 1308 O PHE A 85 0.873 -5.680 -1.643 1.00 31.25 O ATOM 1309 CB PHE A 85 -1.080 -8.191 -1.348 1.00 73.43 C ATOM 1310 CG PHE A 85 -2.211 -9.018 -0.784 1.00 42.34 C ATOM 1311 CD1 PHE A 85 -1.946 -10.121 0.017 1.00 30.51 C ATOM 1312 CD2 PHE A 85 -3.533 -8.702 -1.064 1.00 33.33 C ATOM 1313 CE1 PHE A 85 -2.977 -10.889 0.528 1.00 42.20 C ATOM 1314 CE2 PHE A 85 -4.567 -9.467 -0.556 1.00 51.13 C ATOM 1315 CZ PHE A 85 -4.289 -10.562 0.239 1.00 53.50 C ATOM 0 H PHE A 85 -2.129 -6.035 -0.572 1.00 73.33 H new ATOM 0 HA PHE A 85 -0.177 -7.806 0.574 1.00 32.10 H new ATOM 0 HB2 PHE A 85 -1.458 -7.600 -2.182 1.00 73.43 H new ATOM 0 HB3 PHE A 85 -0.321 -8.861 -1.751 1.00 73.43 H new ATOM 0 HD1 PHE A 85 -0.923 -10.382 0.244 1.00 30.51 H new ATOM 0 HD2 PHE A 85 -3.757 -7.848 -1.686 1.00 33.33 H new ATOM 0 HE1 PHE A 85 -2.757 -11.743 1.152 1.00 42.20 H new ATOM 0 HE2 PHE A 85 -5.591 -9.209 -0.781 1.00 51.13 H new ATOM 0 HZ PHE A 85 -5.095 -11.162 0.634 1.00 53.50 H new ATOM 1325 N ALA A 86 2.005 -7.346 -0.636 1.00 1.40 N ATOM 1326 CA ALA A 86 3.320 -6.903 -1.118 1.00 21.13 C ATOM 1327 C ALA A 86 3.726 -7.603 -2.426 1.00 32.23 C ATOM 1328 O ALA A 86 3.806 -8.833 -2.488 1.00 24.40 O ATOM 1329 CB ALA A 86 4.375 -7.147 -0.045 1.00 32.11 C ATOM 0 H ALA A 86 2.032 -8.193 -0.068 1.00 1.40 H new ATOM 0 HA ALA A 86 3.249 -5.836 -1.329 1.00 21.13 H new ATOM 0 HB1 ALA A 86 5.348 -6.816 -0.409 1.00 32.11 H new ATOM 0 HB2 ALA A 86 4.115 -6.589 0.854 1.00 32.11 H new ATOM 0 HB3 ALA A 86 4.418 -8.211 0.188 1.00 32.11 H new ATOM 1335 N LYS A 87 3.986 -6.812 -3.471 1.00 32.23 N ATOM 1336 CA LYS A 87 4.491 -7.342 -4.745 1.00 40.20 C ATOM 1337 C LYS A 87 5.741 -6.591 -5.195 1.00 33.03 C ATOM 1338 O LYS A 87 5.850 -5.375 -5.033 1.00 40.30 O ATOM 1339 CB LYS A 87 3.420 -7.275 -5.847 1.00 65.33 C ATOM 1340 CG LYS A 87 2.139 -8.023 -5.516 1.00 25.52 C ATOM 1341 CD LYS A 87 1.245 -8.160 -6.742 1.00 43.51 C ATOM 1342 CE LYS A 87 -0.106 -8.741 -6.373 1.00 21.21 C ATOM 1343 NZ LYS A 87 -0.925 -9.076 -7.569 1.00 25.04 N ATOM 0 H LYS A 87 3.855 -5.800 -3.462 1.00 32.23 H new ATOM 0 HA LYS A 87 4.749 -8.388 -4.577 1.00 40.20 H new ATOM 0 HB2 LYS A 87 3.178 -6.230 -6.040 1.00 65.33 H new ATOM 0 HB3 LYS A 87 3.837 -7.681 -6.769 1.00 65.33 H new ATOM 0 HG2 LYS A 87 2.383 -9.012 -5.129 1.00 25.52 H new ATOM 0 HG3 LYS A 87 1.601 -7.496 -4.728 1.00 25.52 H new ATOM 0 HD2 LYS A 87 1.109 -7.184 -7.207 1.00 43.51 H new ATOM 0 HD3 LYS A 87 1.730 -8.800 -7.479 1.00 43.51 H new ATOM 0 HE2 LYS A 87 0.039 -9.639 -5.772 1.00 21.21 H new ATOM 0 HE3 LYS A 87 -0.648 -8.027 -5.753 1.00 21.21 H new ATOM 0 HZ1 LYS A 87 -1.838 -9.469 -7.265 1.00 25.04 H new ATOM 0 HZ2 LYS A 87 -1.088 -8.216 -8.130 1.00 25.04 H new ATOM 0 HZ3 LYS A 87 -0.422 -9.777 -8.149 1.00 25.04 H new ATOM 1357 N LYS A 88 6.688 -7.332 -5.750 1.00 33.03 N ATOM 1358 CA LYS A 88 7.943 -6.758 -6.204 1.00 31.51 C ATOM 1359 C LYS A 88 7.769 -6.089 -7.577 1.00 75.21 C ATOM 1360 O LYS A 88 7.688 -6.764 -8.604 1.00 1.12 O ATOM 1361 CB LYS A 88 9.015 -7.847 -6.261 1.00 21.12 C ATOM 1362 CG LYS A 88 10.420 -7.288 -6.257 1.00 23.31 C ATOM 1363 CD LYS A 88 11.478 -8.381 -6.360 1.00 2.10 C ATOM 1364 CE LYS A 88 11.440 -9.336 -5.172 1.00 11.34 C ATOM 1365 NZ LYS A 88 12.467 -10.405 -5.295 1.00 1.31 N ATOM 0 H LYS A 88 6.609 -8.338 -5.897 1.00 33.03 H new ATOM 0 HA LYS A 88 8.258 -5.990 -5.498 1.00 31.51 H new ATOM 0 HB2 LYS A 88 8.893 -8.516 -5.409 1.00 21.12 H new ATOM 0 HB3 LYS A 88 8.870 -8.446 -7.160 1.00 21.12 H new ATOM 0 HG2 LYS A 88 10.535 -6.594 -7.090 1.00 23.31 H new ATOM 0 HG3 LYS A 88 10.579 -6.717 -5.342 1.00 23.31 H new ATOM 0 HD2 LYS A 88 11.327 -8.944 -7.281 1.00 2.10 H new ATOM 0 HD3 LYS A 88 12.465 -7.923 -6.424 1.00 2.10 H new ATOM 0 HE2 LYS A 88 11.604 -8.778 -4.250 1.00 11.34 H new ATOM 0 HE3 LYS A 88 10.451 -9.788 -5.099 1.00 11.34 H new ATOM 0 HZ1 LYS A 88 12.614 -10.854 -4.368 1.00 1.31 H new ATOM 0 HZ2 LYS A 88 12.144 -11.119 -5.979 1.00 1.31 H new ATOM 0 HZ3 LYS A 88 13.362 -9.990 -5.624 1.00 1.31 H new ATOM 1379 N GLY A 89 7.712 -4.758 -7.587 1.00 4.52 N ATOM 1380 CA GLY A 89 7.396 -4.023 -8.807 1.00 52.02 C ATOM 1381 C GLY A 89 8.609 -3.434 -9.516 1.00 53.21 C ATOM 1382 O GLY A 89 9.752 -3.816 -9.255 1.00 71.55 O ATOM 0 H GLY A 89 7.879 -4.172 -6.769 1.00 4.52 H new ATOM 0 HA2 GLY A 89 6.876 -4.690 -9.495 1.00 52.02 H new ATOM 0 HA3 GLY A 89 6.705 -3.216 -8.562 1.00 52.02 H new ATOM 1386 N ASP A 90 8.347 -2.496 -10.422 1.00 51.42 N ATOM 1387 CA ASP A 90 9.388 -1.886 -11.256 1.00 44.43 C ATOM 1388 C ASP A 90 9.613 -0.410 -10.879 1.00 42.02 C ATOM 1389 O ASP A 90 9.961 0.423 -11.722 1.00 51.02 O ATOM 1390 CB ASP A 90 8.975 -2.013 -12.726 1.00 34.54 C ATOM 1391 CG ASP A 90 8.613 -3.444 -13.087 1.00 23.44 C ATOM 1392 OD1 ASP A 90 9.516 -4.213 -13.478 1.00 1.11 O ATOM 1393 OD2 ASP A 90 7.427 -3.813 -12.958 1.00 30.50 O ATOM 0 H ASP A 90 7.410 -2.135 -10.601 1.00 51.42 H new ATOM 0 HA ASP A 90 10.331 -2.406 -11.091 1.00 44.43 H new ATOM 0 HB2 ASP A 90 8.123 -1.362 -12.922 1.00 34.54 H new ATOM 0 HB3 ASP A 90 9.791 -1.672 -13.364 1.00 34.54 H new ATOM 1398 N VAL A 91 9.433 -0.103 -9.602 1.00 63.24 N ATOM 1399 CA VAL A 91 9.598 1.263 -9.088 1.00 54.15 C ATOM 1400 C VAL A 91 11.030 1.513 -8.575 1.00 34.33 C ATOM 1401 O VAL A 91 11.762 0.568 -8.274 1.00 2.13 O ATOM 1402 CB VAL A 91 8.589 1.535 -7.943 1.00 45.24 C ATOM 1403 CG1 VAL A 91 7.155 1.514 -8.467 1.00 21.22 C ATOM 1404 CG2 VAL A 91 8.765 0.516 -6.817 1.00 32.23 C ATOM 0 H VAL A 91 9.170 -0.785 -8.891 1.00 63.24 H new ATOM 0 HA VAL A 91 9.407 1.944 -9.917 1.00 54.15 H new ATOM 0 HB VAL A 91 8.790 2.528 -7.542 1.00 45.24 H new ATOM 0 HG11 VAL A 91 6.465 1.707 -7.646 1.00 21.22 H new ATOM 0 HG12 VAL A 91 7.035 2.283 -9.230 1.00 21.22 H new ATOM 0 HG13 VAL A 91 6.940 0.537 -8.899 1.00 21.22 H new ATOM 0 HG21 VAL A 91 8.048 0.724 -6.023 1.00 32.23 H new ATOM 0 HG22 VAL A 91 8.596 -0.488 -7.205 1.00 32.23 H new ATOM 0 HG23 VAL A 91 9.777 0.585 -6.419 1.00 32.23 H new ATOM 1414 N PRO A 92 11.464 2.790 -8.492 1.00 52.40 N ATOM 1415 CA PRO A 92 12.773 3.141 -7.912 1.00 24.20 C ATOM 1416 C PRO A 92 12.799 3.020 -6.375 1.00 33.33 C ATOM 1417 O PRO A 92 11.751 2.972 -5.727 1.00 72.01 O ATOM 1418 CB PRO A 92 12.968 4.597 -8.348 1.00 54.31 C ATOM 1419 CG PRO A 92 11.583 5.135 -8.490 1.00 14.23 C ATOM 1420 CD PRO A 92 10.735 3.985 -8.974 1.00 41.32 C ATOM 0 HA PRO A 92 13.562 2.469 -8.250 1.00 24.20 H new ATOM 0 HB2 PRO A 92 13.538 5.159 -7.609 1.00 54.31 H new ATOM 0 HB3 PRO A 92 13.516 4.660 -9.288 1.00 54.31 H new ATOM 0 HG2 PRO A 92 11.214 5.518 -7.538 1.00 14.23 H new ATOM 0 HG3 PRO A 92 11.557 5.963 -9.198 1.00 14.23 H new ATOM 0 HD2 PRO A 92 9.726 4.031 -8.565 1.00 41.32 H new ATOM 0 HD3 PRO A 92 10.640 3.986 -10.060 1.00 41.32 H new ATOM 1428 N LYS A 93 14.001 2.976 -5.798 1.00 24.32 N ATOM 1429 CA LYS A 93 14.163 2.823 -4.344 1.00 11.42 C ATOM 1430 C LYS A 93 13.567 4.021 -3.578 1.00 55.33 C ATOM 1431 O LYS A 93 13.655 5.169 -4.031 1.00 71.43 O ATOM 1432 CB LYS A 93 15.650 2.652 -3.997 1.00 4.13 C ATOM 1433 CG LYS A 93 15.901 2.222 -2.555 1.00 23.35 C ATOM 1434 CD LYS A 93 17.373 1.904 -2.300 1.00 32.35 C ATOM 1435 CE LYS A 93 17.561 1.185 -0.970 1.00 61.04 C ATOM 1436 NZ LYS A 93 18.974 0.784 -0.740 1.00 3.13 N ATOM 0 H LYS A 93 14.879 3.044 -6.312 1.00 24.32 H new ATOM 0 HA LYS A 93 13.617 1.931 -4.036 1.00 11.42 H new ATOM 0 HB2 LYS A 93 16.087 1.913 -4.668 1.00 4.13 H new ATOM 0 HB3 LYS A 93 16.167 3.594 -4.180 1.00 4.13 H new ATOM 0 HG2 LYS A 93 15.579 3.014 -1.879 1.00 23.35 H new ATOM 0 HG3 LYS A 93 15.296 1.344 -2.328 1.00 23.35 H new ATOM 0 HD2 LYS A 93 17.759 1.284 -3.109 1.00 32.35 H new ATOM 0 HD3 LYS A 93 17.952 2.827 -2.302 1.00 32.35 H new ATOM 0 HE2 LYS A 93 17.234 1.835 -0.159 1.00 61.04 H new ATOM 0 HE3 LYS A 93 16.926 0.300 -0.945 1.00 61.04 H new ATOM 0 HZ1 LYS A 93 19.062 0.344 0.198 1.00 3.13 H new ATOM 0 HZ2 LYS A 93 19.265 0.103 -1.470 1.00 3.13 H new ATOM 0 HZ3 LYS A 93 19.585 1.624 -0.787 1.00 3.13 H new ATOM 1450 N GLY A 94 12.967 3.751 -2.416 1.00 63.41 N ATOM 1451 CA GLY A 94 12.283 4.801 -1.663 1.00 50.21 C ATOM 1452 C GLY A 94 11.021 5.309 -2.360 1.00 43.50 C ATOM 1453 O GLY A 94 10.624 6.469 -2.190 1.00 3.42 O ATOM 0 H GLY A 94 12.941 2.828 -1.982 1.00 63.41 H new ATOM 0 HA2 GLY A 94 12.018 4.420 -0.677 1.00 50.21 H new ATOM 0 HA3 GLY A 94 12.968 5.635 -1.509 1.00 50.21 H new ATOM 1457 N MET A 95 10.384 4.444 -3.144 1.00 31.44 N ATOM 1458 CA MET A 95 9.194 4.809 -3.905 1.00 40.54 C ATOM 1459 C MET A 95 8.337 3.563 -4.186 1.00 52.01 C ATOM 1460 O MET A 95 8.868 2.507 -4.522 1.00 74.24 O ATOM 1461 CB MET A 95 9.645 5.467 -5.213 1.00 2.24 C ATOM 1462 CG MET A 95 8.545 6.163 -5.987 1.00 1.23 C ATOM 1463 SD MET A 95 9.197 7.097 -7.388 1.00 45.41 S ATOM 1464 CE MET A 95 7.732 7.954 -7.953 1.00 3.31 C ATOM 0 H MET A 95 10.677 3.475 -3.269 1.00 31.44 H new ATOM 0 HA MET A 95 8.582 5.508 -3.335 1.00 40.54 H new ATOM 0 HB2 MET A 95 10.426 6.193 -4.987 1.00 2.24 H new ATOM 0 HB3 MET A 95 10.093 4.705 -5.851 1.00 2.24 H new ATOM 0 HG2 MET A 95 7.829 5.423 -6.345 1.00 1.23 H new ATOM 0 HG3 MET A 95 8.003 6.836 -5.322 1.00 1.23 H new ATOM 0 HE1 MET A 95 7.396 7.518 -8.894 1.00 3.31 H new ATOM 0 HE2 MET A 95 6.944 7.858 -7.206 1.00 3.31 H new ATOM 0 HE3 MET A 95 7.963 9.009 -8.104 1.00 3.31 H new ATOM 1474 N ILE A 96 7.014 3.675 -4.033 1.00 13.22 N ATOM 1475 CA ILE A 96 6.114 2.530 -4.248 1.00 53.51 C ATOM 1476 C ILE A 96 4.878 2.914 -5.081 1.00 53.54 C ATOM 1477 O ILE A 96 4.341 4.017 -4.961 1.00 30.30 O ATOM 1478 CB ILE A 96 5.646 1.896 -2.906 1.00 23.22 C ATOM 1479 CG1 ILE A 96 4.837 2.904 -2.069 1.00 15.51 C ATOM 1480 CG2 ILE A 96 6.842 1.373 -2.108 1.00 1.54 C ATOM 1481 CD1 ILE A 96 4.264 2.320 -0.791 1.00 72.41 C ATOM 0 H ILE A 96 6.542 4.538 -3.763 1.00 13.22 H new ATOM 0 HA ILE A 96 6.698 1.795 -4.802 1.00 53.51 H new ATOM 0 HB ILE A 96 4.995 1.054 -3.143 1.00 23.22 H new ATOM 0 HG12 ILE A 96 5.478 3.749 -1.816 1.00 15.51 H new ATOM 0 HG13 ILE A 96 4.021 3.294 -2.677 1.00 15.51 H new ATOM 0 HG21 ILE A 96 6.492 0.934 -1.174 1.00 1.54 H new ATOM 0 HG22 ILE A 96 7.365 0.615 -2.691 1.00 1.54 H new ATOM 0 HG23 ILE A 96 7.522 2.197 -1.890 1.00 1.54 H new ATOM 0 HD11 ILE A 96 3.708 3.090 -0.256 1.00 72.41 H new ATOM 0 HD12 ILE A 96 3.596 1.494 -1.036 1.00 72.41 H new ATOM 0 HD13 ILE A 96 5.076 1.956 -0.161 1.00 72.41 H new ATOM 1493 N PHE A 97 4.429 1.986 -5.920 1.00 51.25 N ATOM 1494 CA PHE A 97 3.268 2.216 -6.785 1.00 11.23 C ATOM 1495 C PHE A 97 2.035 1.452 -6.283 1.00 11.50 C ATOM 1496 O PHE A 97 2.074 0.233 -6.113 1.00 33.45 O ATOM 1497 CB PHE A 97 3.595 1.785 -8.225 1.00 12.52 C ATOM 1498 CG PHE A 97 2.443 1.937 -9.189 1.00 51.42 C ATOM 1499 CD1 PHE A 97 2.252 3.123 -9.883 1.00 5.13 C ATOM 1500 CD2 PHE A 97 1.547 0.893 -9.398 1.00 43.43 C ATOM 1501 CE1 PHE A 97 1.200 3.264 -10.765 1.00 42.14 C ATOM 1502 CE2 PHE A 97 0.493 1.031 -10.278 1.00 3.53 C ATOM 1503 CZ PHE A 97 0.319 2.217 -10.963 1.00 42.23 C ATOM 0 H PHE A 97 4.851 1.063 -6.022 1.00 51.25 H new ATOM 0 HA PHE A 97 3.039 3.281 -6.763 1.00 11.23 H new ATOM 0 HB2 PHE A 97 4.438 2.374 -8.587 1.00 12.52 H new ATOM 0 HB3 PHE A 97 3.914 0.743 -8.218 1.00 12.52 H new ATOM 0 HD1 PHE A 97 2.935 3.946 -9.731 1.00 5.13 H new ATOM 0 HD2 PHE A 97 1.678 -0.037 -8.865 1.00 43.43 H new ATOM 0 HE1 PHE A 97 1.065 4.192 -11.301 1.00 42.14 H new ATOM 0 HE2 PHE A 97 -0.195 0.212 -10.431 1.00 3.53 H new ATOM 0 HZ PHE A 97 -0.505 2.327 -11.653 1.00 42.23 H new ATOM 1513 N ILE A 98 0.943 2.174 -6.048 1.00 55.13 N ATOM 1514 CA ILE A 98 -0.335 1.554 -5.685 1.00 72.22 C ATOM 1515 C ILE A 98 -1.422 1.927 -6.707 1.00 71.42 C ATOM 1516 O ILE A 98 -1.558 3.092 -7.080 1.00 73.24 O ATOM 1517 CB ILE A 98 -0.792 1.980 -4.261 1.00 65.34 C ATOM 1518 CG1 ILE A 98 0.248 1.542 -3.214 1.00 71.14 C ATOM 1519 CG2 ILE A 98 -2.173 1.405 -3.928 1.00 71.22 C ATOM 1520 CD1 ILE A 98 -0.136 1.868 -1.785 1.00 73.00 C ATOM 0 H ILE A 98 0.914 3.192 -6.102 1.00 55.13 H new ATOM 0 HA ILE A 98 -0.187 0.474 -5.689 1.00 72.22 H new ATOM 0 HB ILE A 98 -0.872 3.067 -4.240 1.00 65.34 H new ATOM 0 HG12 ILE A 98 0.404 0.467 -3.300 1.00 71.14 H new ATOM 0 HG13 ILE A 98 1.200 2.021 -3.441 1.00 71.14 H new ATOM 0 HG21 ILE A 98 -2.466 1.720 -2.926 1.00 71.22 H new ATOM 0 HG22 ILE A 98 -2.903 1.769 -4.651 1.00 71.22 H new ATOM 0 HG23 ILE A 98 -2.134 0.317 -3.969 1.00 71.22 H new ATOM 0 HD11 ILE A 98 0.649 1.527 -1.110 1.00 73.00 H new ATOM 0 HD12 ILE A 98 -0.263 2.945 -1.679 1.00 73.00 H new ATOM 0 HD13 ILE A 98 -1.071 1.367 -1.536 1.00 73.00 H new ATOM 1532 N PRO A 99 -2.187 0.945 -7.214 1.00 31.41 N ATOM 1533 CA PRO A 99 -3.314 1.219 -8.119 1.00 0.10 C ATOM 1534 C PRO A 99 -4.391 2.106 -7.464 1.00 24.01 C ATOM 1535 O PRO A 99 -4.722 1.935 -6.290 1.00 3.40 O ATOM 1536 CB PRO A 99 -3.866 -0.180 -8.436 1.00 3.01 C ATOM 1537 CG PRO A 99 -2.741 -1.113 -8.133 1.00 14.42 C ATOM 1538 CD PRO A 99 -2.008 -0.498 -6.976 1.00 65.32 C ATOM 0 HA PRO A 99 -3.004 1.773 -9.005 1.00 0.10 H new ATOM 0 HB2 PRO A 99 -4.742 -0.406 -7.828 1.00 3.01 H new ATOM 0 HB3 PRO A 99 -4.173 -0.257 -9.479 1.00 3.01 H new ATOM 0 HG2 PRO A 99 -3.113 -2.106 -7.879 1.00 14.42 H new ATOM 0 HG3 PRO A 99 -2.085 -1.229 -8.996 1.00 14.42 H new ATOM 0 HD2 PRO A 99 -2.429 -0.806 -6.019 1.00 65.32 H new ATOM 0 HD3 PRO A 99 -0.955 -0.780 -6.967 1.00 65.32 H new ATOM 1546 N MET A 100 -4.924 3.059 -8.232 1.00 21.12 N ATOM 1547 CA MET A 100 -5.931 4.003 -7.731 1.00 54.54 C ATOM 1548 C MET A 100 -7.152 3.253 -7.166 1.00 30.41 C ATOM 1549 O MET A 100 -7.964 2.717 -7.919 1.00 61.13 O ATOM 1550 CB MET A 100 -6.371 4.950 -8.867 1.00 62.41 C ATOM 1551 CG MET A 100 -6.961 6.287 -8.413 1.00 21.20 C ATOM 1552 SD MET A 100 -8.263 6.125 -7.171 1.00 44.43 S ATOM 1553 CE MET A 100 -7.338 6.382 -5.659 1.00 54.55 C ATOM 0 H MET A 100 -4.674 3.199 -9.211 1.00 21.12 H new ATOM 0 HA MET A 100 -5.487 4.588 -6.926 1.00 54.54 H new ATOM 0 HB2 MET A 100 -5.510 5.150 -9.505 1.00 62.41 H new ATOM 0 HB3 MET A 100 -7.110 4.435 -9.481 1.00 62.41 H new ATOM 0 HG2 MET A 100 -6.161 6.908 -8.009 1.00 21.20 H new ATOM 0 HG3 MET A 100 -7.363 6.810 -9.281 1.00 21.20 H new ATOM 0 HE1 MET A 100 -7.422 5.498 -5.026 1.00 54.55 H new ATOM 0 HE2 MET A 100 -6.289 6.558 -5.899 1.00 54.55 H new ATOM 0 HE3 MET A 100 -7.739 7.247 -5.130 1.00 54.55 H new ATOM 1563 N GLY A 101 -7.260 3.204 -5.838 1.00 13.33 N ATOM 1564 CA GLY A 101 -8.375 2.498 -5.204 1.00 63.03 C ATOM 1565 C GLY A 101 -8.665 2.986 -3.788 1.00 14.02 C ATOM 1566 O GLY A 101 -8.049 3.951 -3.326 1.00 13.44 O ATOM 0 H GLY A 101 -6.602 3.636 -5.190 1.00 13.33 H new ATOM 0 HA2 GLY A 101 -9.269 2.621 -5.815 1.00 63.03 H new ATOM 0 HA3 GLY A 101 -8.153 1.431 -5.176 1.00 63.03 H new ATOM 1570 N PRO A 102 -9.587 2.328 -3.053 1.00 4.31 N ATOM 1571 CA PRO A 102 -9.958 2.751 -1.691 1.00 11.21 C ATOM 1572 C PRO A 102 -8.778 2.621 -0.719 1.00 70.13 C ATOM 1573 O PRO A 102 -8.633 3.406 0.214 1.00 73.43 O ATOM 1574 CB PRO A 102 -11.105 1.799 -1.312 1.00 52.34 C ATOM 1575 CG PRO A 102 -10.934 0.607 -2.197 1.00 13.30 C ATOM 1576 CD PRO A 102 -10.313 1.114 -3.475 1.00 53.44 C ATOM 0 HA PRO A 102 -10.249 3.800 -1.644 1.00 11.21 H new ATOM 0 HB2 PRO A 102 -11.053 1.519 -0.260 1.00 52.34 H new ATOM 0 HB3 PRO A 102 -12.076 2.270 -1.469 1.00 52.34 H new ATOM 0 HG2 PRO A 102 -10.296 -0.140 -1.724 1.00 13.30 H new ATOM 0 HG3 PRO A 102 -11.893 0.128 -2.394 1.00 13.30 H new ATOM 0 HD2 PRO A 102 -9.640 0.377 -3.913 1.00 53.44 H new ATOM 0 HD3 PRO A 102 -11.070 1.341 -4.226 1.00 53.44 H new ATOM 1584 N TYR A 103 -7.923 1.635 -0.978 1.00 34.45 N ATOM 1585 CA TYR A 103 -6.702 1.433 -0.199 1.00 73.43 C ATOM 1586 C TYR A 103 -5.775 2.643 -0.348 1.00 3.45 C ATOM 1587 O TYR A 103 -5.273 3.188 0.634 1.00 71.32 O ATOM 1588 CB TYR A 103 -5.999 0.147 -0.660 1.00 70.11 C ATOM 1589 CG TYR A 103 -6.865 -1.092 -0.513 1.00 13.01 C ATOM 1590 CD1 TYR A 103 -7.997 -1.265 -1.301 1.00 73.51 C ATOM 1591 CD2 TYR A 103 -6.562 -2.080 0.419 1.00 74.23 C ATOM 1592 CE1 TYR A 103 -8.800 -2.376 -1.167 1.00 54.21 C ATOM 1593 CE2 TYR A 103 -7.361 -3.197 0.556 1.00 42.01 C ATOM 1594 CZ TYR A 103 -8.477 -3.339 -0.241 1.00 4.42 C ATOM 1595 OH TYR A 103 -9.278 -4.450 -0.108 1.00 30.20 O ATOM 0 H TYR A 103 -8.055 0.957 -1.729 1.00 34.45 H new ATOM 0 HA TYR A 103 -6.960 1.330 0.855 1.00 73.43 H new ATOM 0 HB2 TYR A 103 -5.705 0.255 -1.704 1.00 70.11 H new ATOM 0 HB3 TYR A 103 -5.084 0.014 -0.083 1.00 70.11 H new ATOM 0 HD1 TYR A 103 -8.252 -0.513 -2.033 1.00 73.51 H new ATOM 0 HD2 TYR A 103 -5.688 -1.971 1.045 1.00 74.23 H new ATOM 0 HE1 TYR A 103 -9.678 -2.490 -1.786 1.00 54.21 H new ATOM 0 HE2 TYR A 103 -7.113 -3.956 1.284 1.00 42.01 H new ATOM 0 HH TYR A 103 -8.718 -5.253 -0.056 1.00 30.20 H new ATOM 1605 N ALA A 104 -5.569 3.067 -1.590 1.00 21.20 N ATOM 1606 CA ALA A 104 -4.820 4.291 -1.875 1.00 24.43 C ATOM 1607 C ALA A 104 -5.481 5.522 -1.226 1.00 53.24 C ATOM 1608 O ALA A 104 -4.802 6.354 -0.634 1.00 23.21 O ATOM 1609 CB ALA A 104 -4.686 4.489 -3.381 1.00 72.01 C ATOM 0 H ALA A 104 -5.910 2.581 -2.419 1.00 21.20 H new ATOM 0 HA ALA A 104 -3.826 4.183 -1.442 1.00 24.43 H new ATOM 0 HB1 ALA A 104 -4.127 5.403 -3.579 1.00 72.01 H new ATOM 0 HB2 ALA A 104 -4.158 3.639 -3.814 1.00 72.01 H new ATOM 0 HB3 ALA A 104 -5.677 4.566 -3.827 1.00 72.01 H new ATOM 1615 N ASN A 105 -6.812 5.622 -1.322 1.00 53.14 N ATOM 1616 CA ASN A 105 -7.556 6.749 -0.722 1.00 1.42 C ATOM 1617 C ASN A 105 -7.267 6.913 0.785 1.00 72.40 C ATOM 1618 O ASN A 105 -7.493 7.982 1.352 1.00 42.12 O ATOM 1619 CB ASN A 105 -9.071 6.590 -0.946 1.00 73.41 C ATOM 1620 CG ASN A 105 -9.528 7.117 -2.295 1.00 20.22 C ATOM 1621 OD1 ASN A 105 -9.859 8.290 -2.435 1.00 1.03 O ATOM 1622 ND2 ASN A 105 -9.565 6.263 -3.293 1.00 12.32 N ATOM 0 H ASN A 105 -7.399 4.942 -1.806 1.00 53.14 H new ATOM 0 HA ASN A 105 -7.208 7.650 -1.226 1.00 1.42 H new ATOM 0 HB2 ASN A 105 -9.336 5.536 -0.865 1.00 73.41 H new ATOM 0 HB3 ASN A 105 -9.607 7.116 -0.156 1.00 73.41 H new ATOM 0 HD21 ASN A 105 -9.875 6.569 -4.215 1.00 12.32 H new ATOM 0 HD22 ASN A 105 -9.283 5.294 -3.146 1.00 12.32 H new ATOM 1629 N MET A 106 -6.770 5.856 1.422 1.00 64.31 N ATOM 1630 CA MET A 106 -6.401 5.909 2.843 1.00 72.11 C ATOM 1631 C MET A 106 -5.164 6.790 3.069 1.00 12.44 C ATOM 1632 O MET A 106 -5.030 7.436 4.109 1.00 4.34 O ATOM 1633 CB MET A 106 -6.112 4.494 3.361 1.00 32.44 C ATOM 1634 CG MET A 106 -7.295 3.546 3.246 1.00 23.42 C ATOM 1635 SD MET A 106 -8.601 3.926 4.427 1.00 1.40 S ATOM 1636 CE MET A 106 -7.856 3.354 5.954 1.00 63.42 C ATOM 0 H MET A 106 -6.612 4.950 0.981 1.00 64.31 H new ATOM 0 HA MET A 106 -7.240 6.343 3.388 1.00 72.11 H new ATOM 0 HB2 MET A 106 -5.270 4.079 2.807 1.00 32.44 H new ATOM 0 HB3 MET A 106 -5.807 4.555 4.406 1.00 32.44 H new ATOM 0 HG2 MET A 106 -7.699 3.595 2.235 1.00 23.42 H new ATOM 0 HG3 MET A 106 -6.953 2.523 3.404 1.00 23.42 H new ATOM 0 HE1 MET A 106 -8.628 3.237 6.714 1.00 63.42 H new ATOM 0 HE2 MET A 106 -7.367 2.395 5.783 1.00 63.42 H new ATOM 0 HE3 MET A 106 -7.119 4.082 6.294 1.00 63.42 H new ATOM 1646 N VAL A 107 -4.269 6.822 2.080 1.00 24.45 N ATOM 1647 CA VAL A 107 -2.959 7.465 2.240 1.00 13.40 C ATOM 1648 C VAL A 107 -2.686 8.560 1.192 1.00 65.42 C ATOM 1649 O VAL A 107 -1.698 9.286 1.293 1.00 35.51 O ATOM 1650 CB VAL A 107 -1.822 6.413 2.168 1.00 41.03 C ATOM 1651 CG1 VAL A 107 -1.935 5.412 3.315 1.00 12.13 C ATOM 1652 CG2 VAL A 107 -1.834 5.693 0.820 1.00 13.14 C ATOM 0 H VAL A 107 -4.425 6.411 1.160 1.00 24.45 H new ATOM 0 HA VAL A 107 -2.980 7.941 3.221 1.00 13.40 H new ATOM 0 HB VAL A 107 -0.871 6.936 2.266 1.00 41.03 H new ATOM 0 HG11 VAL A 107 -1.127 4.684 3.244 1.00 12.13 H new ATOM 0 HG12 VAL A 107 -1.865 5.939 4.266 1.00 12.13 H new ATOM 0 HG13 VAL A 107 -2.894 4.897 3.255 1.00 12.13 H new ATOM 0 HG21 VAL A 107 -1.028 4.960 0.792 1.00 13.14 H new ATOM 0 HG22 VAL A 107 -2.790 5.187 0.686 1.00 13.14 H new ATOM 0 HG23 VAL A 107 -1.693 6.418 0.019 1.00 13.14 H new ATOM 1662 N ILE A 108 -3.546 8.684 0.191 1.00 63.42 N ATOM 1663 CA ILE A 108 -3.330 9.675 -0.873 1.00 71.41 C ATOM 1664 C ILE A 108 -4.279 10.880 -0.755 1.00 1.20 C ATOM 1665 O ILE A 108 -5.149 10.933 0.116 1.00 34.24 O ATOM 1666 CB ILE A 108 -3.494 9.061 -2.282 1.00 31.43 C ATOM 1667 CG1 ILE A 108 -4.973 8.863 -2.629 1.00 44.50 C ATOM 1668 CG2 ILE A 108 -2.734 7.737 -2.396 1.00 10.45 C ATOM 1669 CD1 ILE A 108 -5.190 8.662 -4.102 1.00 31.11 C ATOM 0 H ILE A 108 -4.391 8.123 0.086 1.00 63.42 H new ATOM 0 HA ILE A 108 -2.303 10.015 -0.742 1.00 71.41 H new ATOM 0 HB ILE A 108 -3.068 9.762 -2.999 1.00 31.43 H new ATOM 0 HG12 ILE A 108 -5.359 8.000 -2.086 1.00 44.50 H new ATOM 0 HG13 ILE A 108 -5.542 9.731 -2.295 1.00 44.50 H new ATOM 0 HG21 ILE A 108 -2.866 7.327 -3.397 1.00 10.45 H new ATOM 0 HG22 ILE A 108 -1.674 7.909 -2.212 1.00 10.45 H new ATOM 0 HG23 ILE A 108 -3.120 7.031 -1.661 1.00 10.45 H new ATOM 0 HD11 ILE A 108 -6.254 8.526 -4.298 1.00 31.11 H new ATOM 0 HD12 ILE A 108 -4.830 9.536 -4.645 1.00 31.11 H new ATOM 0 HD13 ILE A 108 -4.644 7.778 -4.433 1.00 31.11 H new ATOM 1681 N ASP A 109 -4.101 11.842 -1.659 1.00 51.04 N ATOM 1682 CA ASP A 109 -4.982 13.007 -1.755 1.00 44.30 C ATOM 1683 C ASP A 109 -5.969 12.848 -2.930 1.00 11.44 C ATOM 1684 O ASP A 109 -5.557 12.689 -4.079 1.00 40.23 O ATOM 1685 CB ASP A 109 -4.138 14.273 -1.935 1.00 61.45 C ATOM 1686 CG ASP A 109 -4.986 15.506 -2.171 1.00 11.20 C ATOM 1687 OD1 ASP A 109 -5.617 15.997 -1.212 1.00 21.13 O ATOM 1688 OD2 ASP A 109 -5.040 15.982 -3.322 1.00 64.10 O ATOM 0 H ASP A 109 -3.345 11.837 -2.344 1.00 51.04 H new ATOM 0 HA ASP A 109 -5.562 13.089 -0.836 1.00 44.30 H new ATOM 0 HB2 ASP A 109 -3.522 14.424 -1.049 1.00 61.45 H new ATOM 0 HB3 ASP A 109 -3.459 14.136 -2.776 1.00 61.45 H new ATOM 1862 N GLY A 122 3.370 10.767 -6.901 1.00 64.34 N ATOM 1863 CA GLY A 122 2.368 10.346 -5.938 1.00 72.44 C ATOM 1864 C GLY A 122 2.488 11.061 -4.598 1.00 21.42 C ATOM 1865 O GLY A 122 3.257 12.015 -4.450 1.00 55.34 O ATOM 0 HA2 GLY A 122 1.376 10.527 -6.352 1.00 72.44 H new ATOM 0 HA3 GLY A 122 2.455 9.271 -5.778 1.00 72.44 H new ATOM 1869 N VAL A 123 1.724 10.597 -3.621 1.00 0.34 N ATOM 1870 CA VAL A 123 1.745 11.176 -2.270 1.00 45.20 C ATOM 1871 C VAL A 123 2.842 10.536 -1.398 1.00 61.24 C ATOM 1872 O VAL A 123 2.845 9.328 -1.184 1.00 4.42 O ATOM 1873 CB VAL A 123 0.379 10.997 -1.569 1.00 72.15 C ATOM 1874 CG1 VAL A 123 0.408 11.573 -0.153 1.00 22.02 C ATOM 1875 CG2 VAL A 123 -0.737 11.632 -2.398 1.00 10.32 C ATOM 0 H VAL A 123 1.076 9.817 -3.731 1.00 0.34 H new ATOM 0 HA VAL A 123 1.959 12.239 -2.385 1.00 45.20 H new ATOM 0 HB VAL A 123 0.176 9.929 -1.487 1.00 72.15 H new ATOM 0 HG11 VAL A 123 -0.566 11.433 0.317 1.00 22.02 H new ATOM 0 HG12 VAL A 123 1.170 11.060 0.433 1.00 22.02 H new ATOM 0 HG13 VAL A 123 0.640 12.637 -0.198 1.00 22.02 H new ATOM 0 HG21 VAL A 123 -1.691 11.496 -1.889 1.00 10.32 H new ATOM 0 HG22 VAL A 123 -0.539 12.697 -2.519 1.00 10.32 H new ATOM 0 HG23 VAL A 123 -0.778 11.157 -3.378 1.00 10.32 H new ATOM 1885 N LYS A 124 3.755 11.354 -0.881 1.00 42.34 N ATOM 1886 CA LYS A 124 4.878 10.848 -0.076 1.00 60.34 C ATOM 1887 C LYS A 124 4.428 10.354 1.312 1.00 44.23 C ATOM 1888 O LYS A 124 3.490 10.887 1.913 1.00 51.20 O ATOM 1889 CB LYS A 124 5.961 11.927 0.082 1.00 12.14 C ATOM 1890 CG LYS A 124 6.603 12.352 -1.238 1.00 2.31 C ATOM 1891 CD LYS A 124 7.722 13.368 -1.020 1.00 75.51 C ATOM 1892 CE LYS A 124 8.361 13.805 -2.335 1.00 11.34 C ATOM 1893 NZ LYS A 124 8.913 12.653 -3.095 1.00 1.42 N ATOM 0 H LYS A 124 3.745 12.367 -1.001 1.00 42.34 H new ATOM 0 HA LYS A 124 5.291 9.994 -0.614 1.00 60.34 H new ATOM 0 HB2 LYS A 124 5.522 12.802 0.561 1.00 12.14 H new ATOM 0 HB3 LYS A 124 6.738 11.554 0.750 1.00 12.14 H new ATOM 0 HG2 LYS A 124 7.002 11.475 -1.748 1.00 2.31 H new ATOM 0 HG3 LYS A 124 5.843 12.782 -1.891 1.00 2.31 H new ATOM 0 HD2 LYS A 124 7.324 14.241 -0.503 1.00 75.51 H new ATOM 0 HD3 LYS A 124 8.484 12.934 -0.373 1.00 75.51 H new ATOM 0 HE2 LYS A 124 7.619 14.320 -2.945 1.00 11.34 H new ATOM 0 HE3 LYS A 124 9.158 14.520 -2.131 1.00 11.34 H new ATOM 0 HZ1 LYS A 124 9.627 12.993 -3.771 1.00 1.42 H new ATOM 0 HZ2 LYS A 124 9.354 11.981 -2.435 1.00 1.42 H new ATOM 0 HZ3 LYS A 124 8.145 12.178 -3.612 1.00 1.42 H new ATOM 1907 N GLY A 125 5.122 9.334 1.809 1.00 71.01 N ATOM 1908 CA GLY A 125 4.816 8.756 3.112 1.00 70.01 C ATOM 1909 C GLY A 125 5.818 7.676 3.524 1.00 73.10 C ATOM 1910 O GLY A 125 7.024 7.823 3.311 1.00 32.50 O ATOM 0 H GLY A 125 5.903 8.890 1.326 1.00 71.01 H new ATOM 0 HA2 GLY A 125 4.808 9.546 3.863 1.00 70.01 H new ATOM 0 HA3 GLY A 125 3.814 8.328 3.090 1.00 70.01 H new ATOM 1914 N THR A 126 5.321 6.583 4.102 1.00 23.11 N ATOM 1915 CA THR A 126 6.179 5.490 4.590 1.00 63.15 C ATOM 1916 C THR A 126 5.566 4.114 4.301 1.00 10.10 C ATOM 1917 O THR A 126 4.358 3.987 4.094 1.00 12.42 O ATOM 1918 CB THR A 126 6.430 5.588 6.118 1.00 31.25 C ATOM 1919 OG1 THR A 126 5.180 5.608 6.824 1.00 22.41 O ATOM 1920 CG2 THR A 126 7.242 6.830 6.476 1.00 73.50 C ATOM 0 H THR A 126 4.324 6.425 4.247 1.00 23.11 H new ATOM 0 HA THR A 126 7.123 5.596 4.055 1.00 63.15 H new ATOM 0 HB THR A 126 7.004 4.711 6.415 1.00 31.25 H new ATOM 0 HG1 THR A 126 4.486 5.993 6.249 1.00 22.41 H new ATOM 0 HG21 THR A 126 7.398 6.865 7.554 1.00 73.50 H new ATOM 0 HG22 THR A 126 8.207 6.792 5.971 1.00 73.50 H new ATOM 0 HG23 THR A 126 6.702 7.722 6.159 1.00 73.50 H new ATOM 1928 N VAL A 127 6.415 3.088 4.288 1.00 2.14 N ATOM 1929 CA VAL A 127 5.977 1.700 4.113 1.00 53.55 C ATOM 1930 C VAL A 127 6.689 0.780 5.120 1.00 43.52 C ATOM 1931 O VAL A 127 7.856 0.996 5.462 1.00 14.40 O ATOM 1932 CB VAL A 127 6.248 1.196 2.668 1.00 12.33 C ATOM 1933 CG1 VAL A 127 7.748 1.132 2.379 1.00 4.34 C ATOM 1934 CG2 VAL A 127 5.582 -0.162 2.425 1.00 64.21 C ATOM 0 H VAL A 127 7.424 3.192 4.398 1.00 2.14 H new ATOM 0 HA VAL A 127 4.902 1.672 4.292 1.00 53.55 H new ATOM 0 HB VAL A 127 5.806 1.913 1.977 1.00 12.33 H new ATOM 0 HG11 VAL A 127 7.908 0.776 1.361 1.00 4.34 H new ATOM 0 HG12 VAL A 127 8.182 2.126 2.488 1.00 4.34 H new ATOM 0 HG13 VAL A 127 8.225 0.448 3.081 1.00 4.34 H new ATOM 0 HG21 VAL A 127 5.788 -0.491 1.406 1.00 64.21 H new ATOM 0 HG22 VAL A 127 5.979 -0.893 3.130 1.00 64.21 H new ATOM 0 HG23 VAL A 127 4.505 -0.070 2.566 1.00 64.21 H new ATOM 1944 N GLU A 128 5.986 -0.241 5.592 1.00 34.45 N ATOM 1945 CA GLU A 128 6.534 -1.166 6.592 1.00 33.01 C ATOM 1946 C GLU A 128 5.952 -2.576 6.428 1.00 62.42 C ATOM 1947 O GLU A 128 4.861 -2.745 5.890 1.00 52.35 O ATOM 1948 CB GLU A 128 6.214 -0.657 8.008 1.00 51.11 C ATOM 1949 CG GLU A 128 4.725 -0.390 8.232 1.00 43.54 C ATOM 1950 CD GLU A 128 4.339 -0.243 9.697 1.00 61.14 C ATOM 1951 OE1 GLU A 128 4.041 -1.271 10.344 1.00 42.53 O ATOM 1952 OE2 GLU A 128 4.308 0.896 10.201 1.00 45.24 O ATOM 0 H GLU A 128 5.032 -0.455 5.301 1.00 34.45 H new ATOM 0 HA GLU A 128 7.613 -1.213 6.443 1.00 33.01 H new ATOM 0 HB2 GLU A 128 6.558 -1.391 8.737 1.00 51.11 H new ATOM 0 HB3 GLU A 128 6.772 0.261 8.192 1.00 51.11 H new ATOM 0 HG2 GLU A 128 4.445 0.519 7.699 1.00 43.54 H new ATOM 0 HG3 GLU A 128 4.150 -1.206 7.795 1.00 43.54 H new ATOM 1959 N LYS A 129 6.684 -3.589 6.885 1.00 42.51 N ATOM 1960 CA LYS A 129 6.116 -4.936 7.000 1.00 33.41 C ATOM 1961 C LYS A 129 5.394 -5.076 8.342 1.00 23.02 C ATOM 1962 O LYS A 129 5.932 -4.711 9.388 1.00 4.43 O ATOM 1963 CB LYS A 129 7.189 -6.025 6.871 1.00 51.53 C ATOM 1964 CG LYS A 129 6.640 -7.437 7.106 1.00 62.13 C ATOM 1965 CD LYS A 129 7.609 -8.523 6.654 1.00 73.52 C ATOM 1966 CE LYS A 129 8.963 -8.421 7.344 1.00 53.33 C ATOM 1967 NZ LYS A 129 8.882 -8.691 8.806 1.00 1.20 N ATOM 0 H LYS A 129 7.658 -3.509 7.179 1.00 42.51 H new ATOM 0 HA LYS A 129 5.410 -5.071 6.180 1.00 33.41 H new ATOM 0 HB2 LYS A 129 7.633 -5.974 5.877 1.00 51.53 H new ATOM 0 HB3 LYS A 129 7.987 -5.828 7.587 1.00 51.53 H new ATOM 0 HG2 LYS A 129 6.423 -7.567 8.166 1.00 62.13 H new ATOM 0 HG3 LYS A 129 5.697 -7.550 6.571 1.00 62.13 H new ATOM 0 HD2 LYS A 129 7.174 -9.501 6.858 1.00 73.52 H new ATOM 0 HD3 LYS A 129 7.749 -8.455 5.575 1.00 73.52 H new ATOM 0 HE2 LYS A 129 9.655 -9.128 6.885 1.00 53.33 H new ATOM 0 HE3 LYS A 129 9.374 -7.424 7.185 1.00 53.33 H new ATOM 0 HZ1 LYS A 129 9.832 -8.625 9.224 1.00 1.20 H new ATOM 0 HZ2 LYS A 129 8.257 -7.991 9.254 1.00 1.20 H new ATOM 0 HZ3 LYS A 129 8.500 -9.646 8.962 1.00 1.20 H new ATOM 1981 N THR A 130 4.188 -5.623 8.316 1.00 35.13 N ATOM 1982 CA THR A 130 3.341 -5.645 9.514 1.00 52.41 C ATOM 1983 C THR A 130 2.762 -7.028 9.806 1.00 13.54 C ATOM 1984 O THR A 130 2.715 -7.905 8.940 1.00 42.42 O ATOM 1985 CB THR A 130 2.176 -4.633 9.404 1.00 34.13 C ATOM 1986 OG1 THR A 130 1.342 -4.715 10.571 1.00 55.51 O ATOM 1987 CG2 THR A 130 1.335 -4.881 8.156 1.00 22.14 C ATOM 0 H THR A 130 3.771 -6.055 7.491 1.00 35.13 H new ATOM 0 HA THR A 130 3.998 -5.365 10.338 1.00 52.41 H new ATOM 0 HB THR A 130 2.609 -3.635 9.330 1.00 34.13 H new ATOM 0 HG1 THR A 130 0.608 -4.070 10.494 1.00 55.51 H new ATOM 0 HG21 THR A 130 0.526 -4.152 8.111 1.00 22.14 H new ATOM 0 HG22 THR A 130 1.962 -4.783 7.270 1.00 22.14 H new ATOM 0 HG23 THR A 130 0.915 -5.886 8.194 1.00 22.14 H new ATOM 1995 N ASP A 131 2.328 -7.213 11.045 1.00 22.50 N ATOM 1996 CA ASP A 131 1.673 -8.445 11.465 1.00 34.05 C ATOM 1997 C ASP A 131 0.179 -8.405 11.094 1.00 11.34 C ATOM 1998 O ASP A 131 -0.472 -9.443 10.965 1.00 62.22 O ATOM 1999 CB ASP A 131 1.863 -8.622 12.975 1.00 74.33 C ATOM 2000 CG ASP A 131 1.352 -9.957 13.479 1.00 53.02 C ATOM 2001 OD1 ASP A 131 2.044 -10.976 13.275 1.00 1.15 O ATOM 2002 OD2 ASP A 131 0.264 -9.993 14.092 1.00 22.42 O ATOM 0 H ASP A 131 2.419 -6.517 11.785 1.00 22.50 H new ATOM 0 HA ASP A 131 2.120 -9.296 10.951 1.00 34.05 H new ATOM 0 HB2 ASP A 131 2.922 -8.529 13.217 1.00 74.33 H new ATOM 0 HB3 ASP A 131 1.345 -7.819 13.498 1.00 74.33 H new ATOM 2007 N GLU A 132 -0.340 -7.190 10.898 1.00 42.33 N ATOM 2008 CA GLU A 132 -1.745 -6.973 10.530 1.00 55.12 C ATOM 2009 C GLU A 132 -2.107 -7.613 9.182 1.00 64.12 C ATOM 2010 O GLU A 132 -1.241 -7.863 8.341 1.00 2.31 O ATOM 2011 CB GLU A 132 -2.042 -5.467 10.486 1.00 24.03 C ATOM 2012 CG GLU A 132 -2.092 -4.828 11.865 1.00 33.24 C ATOM 2013 CD GLU A 132 -2.027 -3.310 11.834 1.00 2.15 C ATOM 2014 OE1 GLU A 132 -2.932 -2.676 11.251 1.00 73.32 O ATOM 2015 OE2 GLU A 132 -1.068 -2.744 12.399 1.00 54.10 O ATOM 0 H GLU A 132 0.199 -6.329 10.989 1.00 42.33 H new ATOM 0 HA GLU A 132 -2.357 -7.456 11.291 1.00 55.12 H new ATOM 0 HB2 GLU A 132 -1.278 -4.969 9.889 1.00 24.03 H new ATOM 0 HB3 GLU A 132 -2.995 -5.305 9.982 1.00 24.03 H new ATOM 0 HG2 GLU A 132 -3.011 -5.134 12.365 1.00 33.24 H new ATOM 0 HG3 GLU A 132 -1.263 -5.207 12.462 1.00 33.24 H new ATOM 2022 N LYS A 133 -3.394 -7.879 8.993 1.00 41.21 N ATOM 2023 CA LYS A 133 -3.885 -8.476 7.749 1.00 34.03 C ATOM 2024 C LYS A 133 -4.272 -7.392 6.730 1.00 1.42 C ATOM 2025 O LYS A 133 -4.476 -6.230 7.089 1.00 52.24 O ATOM 2026 CB LYS A 133 -5.100 -9.387 8.027 1.00 1.14 C ATOM 2027 CG LYS A 133 -6.438 -8.649 8.134 1.00 74.34 C ATOM 2028 CD LYS A 133 -6.487 -7.675 9.312 1.00 55.42 C ATOM 2029 CE LYS A 133 -7.712 -6.770 9.241 1.00 42.53 C ATOM 2030 NZ LYS A 133 -8.979 -7.546 9.213 1.00 32.23 N ATOM 0 H LYS A 133 -4.120 -7.692 9.684 1.00 41.21 H new ATOM 0 HA LYS A 133 -3.078 -9.076 7.328 1.00 34.03 H new ATOM 0 HB2 LYS A 133 -5.171 -10.128 7.231 1.00 1.14 H new ATOM 0 HB3 LYS A 133 -4.925 -9.931 8.955 1.00 1.14 H new ATOM 0 HG2 LYS A 133 -6.621 -8.102 7.209 1.00 74.34 H new ATOM 0 HG3 LYS A 133 -7.242 -9.378 8.238 1.00 74.34 H new ATOM 0 HD2 LYS A 133 -6.501 -8.235 10.247 1.00 55.42 H new ATOM 0 HD3 LYS A 133 -5.583 -7.065 9.319 1.00 55.42 H new ATOM 0 HE2 LYS A 133 -7.717 -6.099 10.100 1.00 42.53 H new ATOM 0 HE3 LYS A 133 -7.650 -6.146 8.350 1.00 42.53 H new ATOM 0 HZ1 LYS A 133 -9.780 -6.910 9.403 1.00 32.23 H new ATOM 0 HZ2 LYS A 133 -9.098 -7.983 8.277 1.00 32.23 H new ATOM 0 HZ3 LYS A 133 -8.947 -8.289 9.940 1.00 32.23 H new ATOM 2044 N VAL A 134 -4.381 -7.781 5.465 1.00 63.01 N ATOM 2045 CA VAL A 134 -4.829 -6.868 4.411 1.00 55.31 C ATOM 2046 C VAL A 134 -6.291 -6.452 4.627 1.00 72.44 C ATOM 2047 O VAL A 134 -7.151 -7.291 4.905 1.00 35.15 O ATOM 2048 CB VAL A 134 -4.683 -7.519 3.011 1.00 41.21 C ATOM 2049 CG1 VAL A 134 -5.233 -6.605 1.914 1.00 41.42 C ATOM 2050 CG2 VAL A 134 -3.225 -7.876 2.742 1.00 4.22 C ATOM 0 H VAL A 134 -4.166 -8.724 5.140 1.00 63.01 H new ATOM 0 HA VAL A 134 -4.196 -5.982 4.460 1.00 55.31 H new ATOM 0 HB VAL A 134 -5.272 -8.436 3.000 1.00 41.21 H new ATOM 0 HG11 VAL A 134 -5.116 -7.089 0.944 1.00 41.42 H new ATOM 0 HG12 VAL A 134 -6.290 -6.411 2.098 1.00 41.42 H new ATOM 0 HG13 VAL A 134 -4.685 -5.663 1.917 1.00 41.42 H new ATOM 0 HG21 VAL A 134 -3.138 -8.332 1.756 1.00 4.22 H new ATOM 0 HG22 VAL A 134 -2.616 -6.972 2.779 1.00 4.22 H new ATOM 0 HG23 VAL A 134 -2.877 -8.579 3.499 1.00 4.22 H new ATOM 2060 N LEU A 135 -6.565 -5.155 4.513 1.00 41.31 N ATOM 2061 CA LEU A 135 -7.933 -4.645 4.648 1.00 4.21 C ATOM 2062 C LEU A 135 -8.847 -5.200 3.552 1.00 61.41 C ATOM 2063 O LEU A 135 -8.455 -5.309 2.393 1.00 3.54 O ATOM 2064 CB LEU A 135 -7.949 -3.103 4.601 1.00 74.45 C ATOM 2065 CG LEU A 135 -7.767 -2.400 5.955 1.00 13.01 C ATOM 2066 CD1 LEU A 135 -7.739 -0.884 5.781 1.00 41.54 C ATOM 2067 CD2 LEU A 135 -8.883 -2.807 6.912 1.00 52.21 C ATOM 0 H LEU A 135 -5.863 -4.438 4.328 1.00 41.31 H new ATOM 0 HA LEU A 135 -8.309 -4.979 5.615 1.00 4.21 H new ATOM 0 HB2 LEU A 135 -7.159 -2.769 3.928 1.00 74.45 H new ATOM 0 HB3 LEU A 135 -8.895 -2.780 4.167 1.00 74.45 H new ATOM 0 HG LEU A 135 -6.811 -2.709 6.378 1.00 13.01 H new ATOM 0 HD11 LEU A 135 -7.609 -0.409 6.753 1.00 41.54 H new ATOM 0 HD12 LEU A 135 -6.911 -0.608 5.129 1.00 41.54 H new ATOM 0 HD13 LEU A 135 -8.677 -0.551 5.337 1.00 41.54 H new ATOM 0 HD21 LEU A 135 -8.744 -2.303 7.868 1.00 52.21 H new ATOM 0 HD22 LEU A 135 -9.847 -2.523 6.489 1.00 52.21 H new ATOM 0 HD23 LEU A 135 -8.857 -3.886 7.063 1.00 52.21 H new ATOM 2079 N SER A 136 -10.063 -5.571 3.926 1.00 55.43 N ATOM 2080 CA SER A 136 -11.088 -5.929 2.941 1.00 52.03 C ATOM 2081 C SER A 136 -11.797 -4.656 2.471 1.00 62.15 C ATOM 2082 O SER A 136 -11.982 -3.731 3.258 1.00 0.52 O ATOM 2083 CB SER A 136 -12.104 -6.915 3.538 1.00 64.13 C ATOM 2084 OG SER A 136 -13.079 -7.298 2.578 1.00 14.22 O ATOM 0 H SER A 136 -10.368 -5.634 4.897 1.00 55.43 H new ATOM 0 HA SER A 136 -10.609 -6.418 2.092 1.00 52.03 H new ATOM 0 HB2 SER A 136 -11.583 -7.800 3.903 1.00 64.13 H new ATOM 0 HB3 SER A 136 -12.596 -6.458 4.396 1.00 64.13 H new ATOM 0 HG SER A 136 -13.710 -7.927 2.986 1.00 14.22 H new ATOM 2090 N VAL A 137 -12.187 -4.604 1.198 1.00 52.21 N ATOM 2091 CA VAL A 137 -12.797 -3.394 0.618 1.00 0.32 C ATOM 2092 C VAL A 137 -13.923 -2.830 1.506 1.00 34.04 C ATOM 2093 O VAL A 137 -13.970 -1.631 1.781 1.00 71.41 O ATOM 2094 CB VAL A 137 -13.357 -3.668 -0.803 1.00 63.35 C ATOM 2095 CG1 VAL A 137 -14.010 -2.413 -1.382 1.00 22.23 C ATOM 2096 CG2 VAL A 137 -12.253 -4.180 -1.730 1.00 50.43 C ATOM 0 H VAL A 137 -12.094 -5.381 0.544 1.00 52.21 H new ATOM 0 HA VAL A 137 -12.001 -2.652 0.555 1.00 0.32 H new ATOM 0 HB VAL A 137 -14.121 -4.441 -0.723 1.00 63.35 H new ATOM 0 HG11 VAL A 137 -14.395 -2.630 -2.378 1.00 22.23 H new ATOM 0 HG12 VAL A 137 -14.830 -2.099 -0.737 1.00 22.23 H new ATOM 0 HG13 VAL A 137 -13.271 -1.614 -1.444 1.00 22.23 H new ATOM 0 HG21 VAL A 137 -12.667 -4.366 -2.721 1.00 50.43 H new ATOM 0 HG22 VAL A 137 -11.462 -3.433 -1.801 1.00 50.43 H new ATOM 0 HG23 VAL A 137 -11.842 -5.106 -1.329 1.00 50.43 H new ATOM 2106 N LYS A 138 -14.815 -3.707 1.960 1.00 64.45 N ATOM 2107 CA LYS A 138 -15.924 -3.313 2.838 1.00 63.12 C ATOM 2108 C LYS A 138 -15.418 -2.873 4.225 1.00 63.42 C ATOM 2109 O LYS A 138 -15.887 -1.883 4.785 1.00 42.02 O ATOM 2110 CB LYS A 138 -16.913 -4.479 2.974 1.00 44.31 C ATOM 2111 CG LYS A 138 -18.137 -4.165 3.829 1.00 34.11 C ATOM 2112 CD LYS A 138 -19.116 -5.338 3.870 1.00 4.14 C ATOM 2113 CE LYS A 138 -19.636 -5.702 2.480 1.00 63.13 C ATOM 2114 NZ LYS A 138 -20.618 -6.820 2.529 1.00 63.53 N ATOM 0 H LYS A 138 -14.794 -4.702 1.735 1.00 64.45 H new ATOM 0 HA LYS A 138 -16.430 -2.459 2.388 1.00 63.12 H new ATOM 0 HB2 LYS A 138 -17.245 -4.777 1.979 1.00 44.31 H new ATOM 0 HB3 LYS A 138 -16.392 -5.334 3.405 1.00 44.31 H new ATOM 0 HG2 LYS A 138 -17.819 -3.921 4.843 1.00 34.11 H new ATOM 0 HG3 LYS A 138 -18.641 -3.284 3.432 1.00 34.11 H new ATOM 0 HD2 LYS A 138 -18.624 -6.205 4.311 1.00 4.14 H new ATOM 0 HD3 LYS A 138 -19.957 -5.086 4.516 1.00 4.14 H new ATOM 0 HE2 LYS A 138 -20.104 -4.828 2.027 1.00 63.13 H new ATOM 0 HE3 LYS A 138 -18.799 -5.982 1.841 1.00 63.13 H new ATOM 0 HZ1 LYS A 138 -20.946 -7.036 1.566 1.00 63.53 H new ATOM 0 HZ2 LYS A 138 -20.165 -7.662 2.938 1.00 63.53 H new ATOM 0 HZ3 LYS A 138 -21.430 -6.544 3.118 1.00 63.53 H new ATOM 2128 N GLU A 139 -14.441 -3.604 4.762 1.00 40.41 N ATOM 2129 CA GLU A 139 -13.840 -3.280 6.060 1.00 43.22 C ATOM 2130 C GLU A 139 -13.164 -1.902 6.008 1.00 21.11 C ATOM 2131 O GLU A 139 -13.143 -1.155 6.990 1.00 52.12 O ATOM 2132 CB GLU A 139 -12.827 -4.373 6.425 1.00 24.03 C ATOM 2133 CG GLU A 139 -12.002 -4.094 7.674 1.00 72.40 C ATOM 2134 CD GLU A 139 -11.091 -5.258 8.035 1.00 34.45 C ATOM 2135 OE1 GLU A 139 -10.390 -5.776 7.140 1.00 10.20 O ATOM 2136 OE2 GLU A 139 -11.068 -5.663 9.221 1.00 3.01 O ATOM 0 H GLU A 139 -14.045 -4.431 4.315 1.00 40.41 H new ATOM 0 HA GLU A 139 -14.616 -3.240 6.825 1.00 43.22 H new ATOM 0 HB2 GLU A 139 -13.363 -5.312 6.564 1.00 24.03 H new ATOM 0 HB3 GLU A 139 -12.149 -4.514 5.584 1.00 24.03 H new ATOM 0 HG2 GLU A 139 -11.400 -3.199 7.517 1.00 72.40 H new ATOM 0 HG3 GLU A 139 -12.670 -3.886 8.509 1.00 72.40 H new ATOM 2143 N LEU A 140 -12.623 -1.584 4.840 1.00 4.41 N ATOM 2144 CA LEU A 140 -12.011 -0.293 4.575 1.00 32.14 C ATOM 2145 C LEU A 140 -13.067 0.829 4.595 1.00 63.22 C ATOM 2146 O LEU A 140 -12.788 1.942 5.035 1.00 22.42 O ATOM 2147 CB LEU A 140 -11.295 -0.363 3.221 1.00 44.32 C ATOM 2148 CG LEU A 140 -10.066 0.541 3.086 1.00 1.11 C ATOM 2149 CD1 LEU A 140 -9.126 0.000 2.023 1.00 22.02 C ATOM 2150 CD2 LEU A 140 -10.466 1.976 2.765 1.00 24.34 C ATOM 0 H LEU A 140 -12.597 -2.222 4.044 1.00 4.41 H new ATOM 0 HA LEU A 140 -11.286 -0.059 5.355 1.00 32.14 H new ATOM 0 HB2 LEU A 140 -10.989 -1.394 3.043 1.00 44.32 H new ATOM 0 HB3 LEU A 140 -12.006 -0.101 2.438 1.00 44.32 H new ATOM 0 HG LEU A 140 -9.546 0.547 4.044 1.00 1.11 H new ATOM 0 HD11 LEU A 140 -8.257 0.653 1.939 1.00 22.02 H new ATOM 0 HD12 LEU A 140 -8.801 -1.002 2.301 1.00 22.02 H new ATOM 0 HD13 LEU A 140 -9.644 -0.040 1.065 1.00 22.02 H new ATOM 0 HD21 LEU A 140 -9.571 2.592 2.676 1.00 24.34 H new ATOM 0 HD22 LEU A 140 -11.017 1.998 1.825 1.00 24.34 H new ATOM 0 HD23 LEU A 140 -11.096 2.366 3.565 1.00 24.34 H new ATOM 2162 N LEU A 141 -14.287 0.518 4.141 1.00 72.43 N ATOM 2163 CA LEU A 141 -15.404 1.475 4.209 1.00 11.44 C ATOM 2164 C LEU A 141 -15.675 1.861 5.671 1.00 70.41 C ATOM 2165 O LEU A 141 -15.917 3.027 5.999 1.00 42.24 O ATOM 2166 CB LEU A 141 -16.680 0.878 3.589 1.00 73.53 C ATOM 2167 CG LEU A 141 -16.539 0.323 2.159 1.00 61.14 C ATOM 2168 CD1 LEU A 141 -17.880 -0.202 1.646 1.00 21.22 C ATOM 2169 CD2 LEU A 141 -15.973 1.377 1.213 1.00 23.24 C ATOM 0 H LEU A 141 -14.528 -0.382 3.725 1.00 72.43 H new ATOM 0 HA LEU A 141 -15.125 2.363 3.642 1.00 11.44 H new ATOM 0 HB2 LEU A 141 -17.033 0.075 4.236 1.00 73.53 H new ATOM 0 HB3 LEU A 141 -17.452 1.647 3.585 1.00 73.53 H new ATOM 0 HG LEU A 141 -15.836 -0.510 2.191 1.00 61.14 H new ATOM 0 HD11 LEU A 141 -17.756 -0.589 0.635 1.00 21.22 H new ATOM 0 HD12 LEU A 141 -18.232 -1.000 2.299 1.00 21.22 H new ATOM 0 HD13 LEU A 141 -18.609 0.608 1.638 1.00 21.22 H new ATOM 0 HD21 LEU A 141 -15.885 0.957 0.211 1.00 23.24 H new ATOM 0 HD22 LEU A 141 -16.640 2.239 1.188 1.00 23.24 H new ATOM 0 HD23 LEU A 141 -14.989 1.690 1.563 1.00 23.24 H new