USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 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 53 ASN : amide:sc= -3.1! K(o=-1.9!,f=-3.2) USER MOD Set 1.2: A 103 TYR OH : rot 82:sc= 1.16 USER MOD Set 2.1: A 23 MET CE :methyl -167:sc= -2.04 (180deg=-1.64) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.993) USER MOD Set 2.3: A 126 THR OG1 : rot -29:sc= 0.357 USER MOD Single : A 30 SER OG : rot -10:sc= -4.17! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.49 K(o=1.5,f=-3.2!) USER MOD Single : A 63 ASN : amide:sc= 0.898 K(o=0.9,f=-0.41) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 2.26 (180deg=2.19) USER MOD Single : A 77 THR OG1 : rot -169:sc= 1.42 USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00772) USER MOD Single : A 88 LYS NZ :NH3+ -109:sc= 0.712 (180deg=-0.419!) USER MOD Single : A 93 LYS NZ :NH3+ -145:sc= 1.23 (180deg=0.678) USER MOD Single : A 95 MET CE :methyl 132:sc= -0.948 (180deg=-5.75!) USER MOD Single : A 100 MET CE :methyl -132:sc= -2.26 (180deg=-5.36!) USER MOD Single : A 105 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.0098) USER MOD Single : A 106 MET CE :methyl -162:sc= -0.0224 (180deg=-0.639) USER MOD Single : A 124 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.1) USER MOD Single : A 129 LYS NZ :NH3+ -117:sc= 1.51 (180deg=-0.175) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.322 USER MOD Single : A 133 LYS NZ :NH3+ 172:sc= 1.03 (180deg=0.982) 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 10.579 0.818 9.551 1.00 73.24 N ATOM 342 CA MET A 23 9.831 1.333 8.403 1.00 51.03 C ATOM 343 C MET A 23 10.709 2.173 7.459 1.00 74.03 C ATOM 344 O MET A 23 11.630 2.869 7.890 1.00 12.43 O ATOM 345 CB MET A 23 8.641 2.156 8.907 1.00 23.34 C ATOM 346 CG MET A 23 9.032 3.384 9.723 1.00 52.13 C ATOM 347 SD MET A 23 7.648 4.057 10.661 1.00 73.54 S ATOM 348 CE MET A 23 6.375 4.054 9.403 1.00 23.51 C ATOM 0 HA MET A 23 9.476 0.482 7.821 1.00 51.03 H new ATOM 0 HB2 MET A 23 8.046 2.476 8.051 1.00 23.34 H new ATOM 0 HB3 MET A 23 8.003 1.516 9.517 1.00 23.34 H new ATOM 0 HG2 MET A 23 9.837 3.120 10.408 1.00 52.13 H new ATOM 0 HG3 MET A 23 9.422 4.152 9.055 1.00 52.13 H new ATOM 0 HE1 MET A 23 5.526 4.648 9.743 1.00 23.51 H new ATOM 0 HE2 MET A 23 6.772 4.482 8.483 1.00 23.51 H new ATOM 0 HE3 MET A 23 6.050 3.030 9.216 1.00 23.51 H new ATOM 358 N LEU A 24 10.414 2.092 6.164 1.00 61.24 N ATOM 359 CA LEU A 24 11.141 2.854 5.138 1.00 23.14 C ATOM 360 C LEU A 24 10.284 3.992 4.574 1.00 1.50 C ATOM 361 O LEU A 24 9.087 3.821 4.327 1.00 4.14 O ATOM 362 CB LEU A 24 11.582 1.922 3.999 1.00 54.15 C ATOM 363 CG LEU A 24 12.873 1.129 4.264 1.00 34.54 C ATOM 364 CD1 LEU A 24 12.944 -0.100 3.366 1.00 1.01 C ATOM 365 CD2 LEU A 24 14.101 2.011 4.041 1.00 2.32 C ATOM 0 H LEU A 24 9.670 1.502 5.792 1.00 61.24 H new ATOM 0 HA LEU A 24 12.020 3.292 5.610 1.00 23.14 H new ATOM 0 HB2 LEU A 24 10.776 1.216 3.796 1.00 54.15 H new ATOM 0 HB3 LEU A 24 11.719 2.517 3.096 1.00 54.15 H new ATOM 0 HG LEU A 24 12.861 0.801 5.303 1.00 34.54 H new ATOM 0 HD11 LEU A 24 13.865 -0.647 3.570 1.00 1.01 H new ATOM 0 HD12 LEU A 24 12.088 -0.745 3.564 1.00 1.01 H new ATOM 0 HD13 LEU A 24 12.930 0.211 2.321 1.00 1.01 H new ATOM 0 HD21 LEU A 24 15.004 1.432 4.233 1.00 2.32 H new ATOM 0 HD22 LEU A 24 14.111 2.367 3.011 1.00 2.32 H new ATOM 0 HD23 LEU A 24 14.065 2.863 4.719 1.00 2.32 H new ATOM 377 N GLU A 25 10.899 5.153 4.379 1.00 42.41 N ATOM 378 CA GLU A 25 10.219 6.288 3.793 1.00 12.41 C ATOM 379 C GLU A 25 10.118 6.135 2.269 1.00 42.52 C ATOM 380 O GLU A 25 11.128 6.155 1.562 1.00 42.24 O ATOM 381 CB GLU A 25 10.964 7.575 4.139 1.00 5.11 C ATOM 382 CG GLU A 25 10.223 8.807 3.677 1.00 20.42 C ATOM 383 CD GLU A 25 10.999 10.096 3.883 1.00 12.20 C ATOM 384 OE1 GLU A 25 10.984 10.634 5.009 1.00 61.13 O ATOM 385 OE2 GLU A 25 11.629 10.577 2.917 1.00 3.50 O ATOM 0 H GLU A 25 11.874 5.327 4.622 1.00 42.41 H new ATOM 0 HA GLU A 25 9.210 6.334 4.202 1.00 12.41 H new ATOM 0 HB2 GLU A 25 11.114 7.627 5.217 1.00 5.11 H new ATOM 0 HB3 GLU A 25 11.953 7.555 3.680 1.00 5.11 H new ATOM 0 HG2 GLU A 25 9.984 8.702 2.619 1.00 20.42 H new ATOM 0 HG3 GLU A 25 9.276 8.873 4.212 1.00 20.42 H new ATOM 392 N VAL A 26 8.896 5.997 1.768 1.00 25.42 N ATOM 393 CA VAL A 26 8.663 5.760 0.341 1.00 52.24 C ATOM 394 C VAL A 26 7.665 6.762 -0.250 1.00 25.41 C ATOM 395 O VAL A 26 6.885 7.379 0.467 1.00 3.12 O ATOM 396 CB VAL A 26 8.136 4.325 0.087 1.00 23.11 C ATOM 397 CG1 VAL A 26 9.181 3.282 0.482 1.00 35.50 C ATOM 398 CG2 VAL A 26 6.821 4.095 0.834 1.00 34.13 C ATOM 0 H VAL A 26 8.045 6.045 2.329 1.00 25.42 H new ATOM 0 HA VAL A 26 9.627 5.888 -0.151 1.00 52.24 H new ATOM 0 HB VAL A 26 7.944 4.216 -0.980 1.00 23.11 H new ATOM 0 HG11 VAL A 26 8.787 2.283 0.294 1.00 35.50 H new ATOM 0 HG12 VAL A 26 10.086 3.432 -0.107 1.00 35.50 H new ATOM 0 HG13 VAL A 26 9.417 3.386 1.541 1.00 35.50 H new ATOM 0 HG21 VAL A 26 6.467 3.082 0.643 1.00 34.13 H new ATOM 0 HG22 VAL A 26 6.982 4.228 1.904 1.00 34.13 H new ATOM 0 HG23 VAL A 26 6.076 4.811 0.488 1.00 34.13 H new ATOM 408 N GLU A 27 7.692 6.914 -1.567 1.00 3.34 N ATOM 409 CA GLU A 27 6.722 7.762 -2.265 1.00 42.34 C ATOM 410 C GLU A 27 5.597 6.900 -2.855 1.00 63.30 C ATOM 411 O GLU A 27 5.806 6.147 -3.806 1.00 41.22 O ATOM 412 CB GLU A 27 7.424 8.571 -3.364 1.00 34.31 C ATOM 413 CG GLU A 27 6.535 9.601 -4.062 1.00 31.10 C ATOM 414 CD GLU A 27 7.292 10.424 -5.096 1.00 0.33 C ATOM 415 OE1 GLU A 27 8.489 10.707 -4.874 1.00 41.02 O ATOM 416 OE2 GLU A 27 6.706 10.780 -6.140 1.00 43.52 O ATOM 0 H GLU A 27 8.373 6.463 -2.178 1.00 3.34 H new ATOM 0 HA GLU A 27 6.281 8.461 -1.554 1.00 42.34 H new ATOM 0 HB2 GLU A 27 8.280 9.086 -2.928 1.00 34.31 H new ATOM 0 HB3 GLU A 27 7.814 7.881 -4.112 1.00 34.31 H new ATOM 0 HG2 GLU A 27 5.705 9.089 -4.548 1.00 31.10 H new ATOM 0 HG3 GLU A 27 6.105 10.269 -3.316 1.00 31.10 H new ATOM 423 N VAL A 28 4.415 7.011 -2.260 1.00 3.02 N ATOM 424 CA VAL A 28 3.253 6.189 -2.618 1.00 14.14 C ATOM 425 C VAL A 28 2.501 6.768 -3.825 1.00 14.24 C ATOM 426 O VAL A 28 1.850 7.808 -3.729 1.00 44.14 O ATOM 427 CB VAL A 28 2.273 6.078 -1.424 1.00 43.53 C ATOM 428 CG1 VAL A 28 1.136 5.108 -1.740 1.00 63.03 C ATOM 429 CG2 VAL A 28 3.018 5.665 -0.154 1.00 75.13 C ATOM 0 H VAL A 28 4.229 7.677 -1.510 1.00 3.02 H new ATOM 0 HA VAL A 28 3.631 5.201 -2.879 1.00 14.14 H new ATOM 0 HB VAL A 28 1.831 7.059 -1.251 1.00 43.53 H new ATOM 0 HG11 VAL A 28 0.461 5.047 -0.886 1.00 63.03 H new ATOM 0 HG12 VAL A 28 0.587 5.463 -2.612 1.00 63.03 H new ATOM 0 HG13 VAL A 28 1.548 4.120 -1.948 1.00 63.03 H new ATOM 0 HG21 VAL A 28 2.313 5.592 0.674 1.00 75.13 H new ATOM 0 HG22 VAL A 28 3.495 4.698 -0.310 1.00 75.13 H new ATOM 0 HG23 VAL A 28 3.778 6.410 0.081 1.00 75.13 H new ATOM 439 N ILE A 29 2.577 6.081 -4.953 1.00 33.34 N ATOM 440 CA ILE A 29 1.972 6.569 -6.195 1.00 70.21 C ATOM 441 C ILE A 29 0.541 6.041 -6.384 1.00 5.34 C ATOM 442 O ILE A 29 0.140 5.065 -5.753 1.00 61.11 O ATOM 443 CB ILE A 29 2.824 6.147 -7.413 1.00 43.51 C ATOM 444 CG1 ILE A 29 4.319 6.287 -7.092 1.00 31.40 C ATOM 445 CG2 ILE A 29 2.456 6.991 -8.632 1.00 64.00 C ATOM 446 CD1 ILE A 29 5.222 5.701 -8.152 1.00 45.13 C ATOM 0 H ILE A 29 3.051 5.182 -5.041 1.00 33.34 H new ATOM 0 HA ILE A 29 1.934 7.656 -6.122 1.00 70.21 H new ATOM 0 HB ILE A 29 2.617 5.101 -7.640 1.00 43.51 H new ATOM 0 HG12 ILE A 29 4.558 7.343 -6.966 1.00 31.40 H new ATOM 0 HG13 ILE A 29 4.525 5.798 -6.140 1.00 31.40 H new ATOM 0 HG21 ILE A 29 3.063 6.684 -9.484 1.00 64.00 H new ATOM 0 HG22 ILE A 29 1.401 6.849 -8.868 1.00 64.00 H new ATOM 0 HG23 ILE A 29 2.641 8.043 -8.415 1.00 64.00 H new ATOM 0 HD11 ILE A 29 6.263 5.836 -7.858 1.00 45.13 H new ATOM 0 HD12 ILE A 29 5.011 4.637 -8.262 1.00 45.13 H new ATOM 0 HD13 ILE A 29 5.044 6.206 -9.101 1.00 45.13 H new ATOM 458 N SER A 30 -0.224 6.694 -7.259 1.00 3.51 N ATOM 459 CA SER A 30 -1.580 6.241 -7.600 1.00 4.31 C ATOM 460 C SER A 30 -1.844 6.337 -9.106 1.00 30.13 C ATOM 461 O SER A 30 -2.262 7.378 -9.613 1.00 73.31 O ATOM 462 CB SER A 30 -2.634 7.036 -6.823 1.00 30.14 C ATOM 463 OG SER A 30 -2.565 6.740 -5.441 1.00 64.13 O ATOM 0 H SER A 30 0.070 7.540 -7.747 1.00 3.51 H new ATOM 0 HA SER A 30 -1.653 5.192 -7.313 1.00 4.31 H new ATOM 0 HB2 SER A 30 -2.480 8.104 -6.979 1.00 30.14 H new ATOM 0 HB3 SER A 30 -3.628 6.799 -7.202 1.00 30.14 H new ATOM 0 HG SER A 30 -1.970 5.975 -5.300 1.00 64.13 H new ATOM 469 N GLY A 31 -1.587 5.240 -9.815 1.00 23.24 N ATOM 470 CA GLY A 31 -1.811 5.203 -11.259 1.00 45.30 C ATOM 471 C GLY A 31 -3.181 4.641 -11.619 1.00 12.14 C ATOM 472 O GLY A 31 -3.588 3.604 -11.093 1.00 30.13 O ATOM 0 H GLY A 31 -1.227 4.372 -9.418 1.00 23.24 H new ATOM 0 HA2 GLY A 31 -1.716 6.210 -11.665 1.00 45.30 H new ATOM 0 HA3 GLY A 31 -1.037 4.596 -11.729 1.00 45.30 H new ATOM 711 N GLU A 47 -12.340 -8.169 -9.271 1.00 25.15 N ATOM 712 CA GLU A 47 -11.479 -7.217 -9.987 1.00 61.45 C ATOM 713 C GLU A 47 -11.061 -6.058 -9.073 1.00 71.24 C ATOM 714 O GLU A 47 -9.886 -5.701 -8.997 1.00 73.43 O ATOM 715 CB GLU A 47 -12.193 -6.666 -11.225 1.00 51.33 C ATOM 716 CG GLU A 47 -12.526 -7.726 -12.265 1.00 63.21 C ATOM 717 CD GLU A 47 -11.316 -8.549 -12.680 1.00 44.22 C ATOM 718 OE1 GLU A 47 -10.457 -8.026 -13.418 1.00 52.14 O ATOM 719 OE2 GLU A 47 -11.222 -9.723 -12.269 1.00 53.30 O ATOM 0 HA GLU A 47 -10.584 -7.754 -10.302 1.00 61.45 H new ATOM 0 HB2 GLU A 47 -13.115 -6.175 -10.913 1.00 51.33 H new ATOM 0 HB3 GLU A 47 -11.565 -5.903 -11.686 1.00 51.33 H new ATOM 0 HG2 GLU A 47 -13.292 -8.391 -11.866 1.00 63.21 H new ATOM 0 HG3 GLU A 47 -12.950 -7.243 -13.145 1.00 63.21 H new ATOM 726 N TYR A 48 -12.029 -5.494 -8.355 1.00 14.55 N ATOM 727 CA TYR A 48 -11.762 -4.385 -7.431 1.00 70.54 C ATOM 728 C TYR A 48 -10.937 -4.858 -6.215 1.00 64.33 C ATOM 729 O TYR A 48 -10.240 -4.066 -5.579 1.00 74.04 O ATOM 730 CB TYR A 48 -13.087 -3.744 -6.967 1.00 0.53 C ATOM 731 CG TYR A 48 -13.085 -2.226 -7.032 1.00 22.43 C ATOM 732 CD1 TYR A 48 -12.165 -1.480 -6.306 1.00 53.23 C ATOM 733 CD2 TYR A 48 -14.000 -1.539 -7.827 1.00 23.11 C ATOM 734 CE1 TYR A 48 -12.152 -0.103 -6.370 1.00 15.44 C ATOM 735 CE2 TYR A 48 -13.996 -0.157 -7.893 1.00 23.40 C ATOM 736 CZ TYR A 48 -13.069 0.556 -7.164 1.00 3.44 C ATOM 737 OH TYR A 48 -13.054 1.930 -7.231 1.00 33.13 O ATOM 0 H TYR A 48 -13.006 -5.784 -8.392 1.00 14.55 H new ATOM 0 HA TYR A 48 -11.176 -3.636 -7.963 1.00 70.54 H new ATOM 0 HB2 TYR A 48 -13.901 -4.124 -7.585 1.00 0.53 H new ATOM 0 HB3 TYR A 48 -13.292 -4.055 -5.943 1.00 0.53 H new ATOM 0 HD1 TYR A 48 -11.447 -1.988 -5.680 1.00 53.23 H new ATOM 0 HD2 TYR A 48 -14.725 -2.095 -8.402 1.00 23.11 H new ATOM 0 HE1 TYR A 48 -11.426 0.459 -5.800 1.00 15.44 H new ATOM 0 HE2 TYR A 48 -14.715 0.360 -8.512 1.00 23.40 H new ATOM 0 HH TYR A 48 -13.763 2.236 -7.835 1.00 33.13 H new ATOM 747 N PHE A 49 -11.008 -6.158 -5.915 1.00 23.22 N ATOM 748 CA PHE A 49 -10.293 -6.742 -4.768 1.00 54.21 C ATOM 749 C PHE A 49 -8.919 -7.326 -5.177 1.00 42.42 C ATOM 750 O PHE A 49 -8.178 -7.850 -4.344 1.00 43.33 O ATOM 751 CB PHE A 49 -11.169 -7.824 -4.110 1.00 60.22 C ATOM 752 CG PHE A 49 -10.627 -8.345 -2.796 1.00 0.21 C ATOM 753 CD1 PHE A 49 -10.610 -7.533 -1.668 1.00 25.33 C ATOM 754 CD2 PHE A 49 -10.132 -9.640 -2.688 1.00 53.13 C ATOM 755 CE1 PHE A 49 -10.114 -8.001 -0.466 1.00 22.30 C ATOM 756 CE2 PHE A 49 -9.635 -10.110 -1.487 1.00 63.43 C ATOM 757 CZ PHE A 49 -9.624 -9.289 -0.376 1.00 52.33 C ATOM 0 H PHE A 49 -11.555 -6.832 -6.451 1.00 23.22 H new ATOM 0 HA PHE A 49 -10.098 -5.945 -4.050 1.00 54.21 H new ATOM 0 HB2 PHE A 49 -12.166 -7.417 -3.943 1.00 60.22 H new ATOM 0 HB3 PHE A 49 -11.277 -8.659 -4.802 1.00 60.22 H new ATOM 0 HD1 PHE A 49 -10.989 -6.524 -1.732 1.00 25.33 H new ATOM 0 HD2 PHE A 49 -10.136 -10.286 -3.553 1.00 53.13 H new ATOM 0 HE1 PHE A 49 -10.110 -7.360 0.403 1.00 22.30 H new ATOM 0 HE2 PHE A 49 -9.255 -11.119 -1.417 1.00 63.43 H new ATOM 0 HZ PHE A 49 -9.233 -9.654 0.562 1.00 52.33 H new ATOM 767 N ASN A 50 -8.575 -7.240 -6.462 1.00 65.30 N ATOM 768 CA ASN A 50 -7.248 -7.672 -6.934 1.00 12.32 C ATOM 769 C ASN A 50 -6.477 -6.536 -7.624 1.00 24.14 C ATOM 770 O ASN A 50 -5.246 -6.523 -7.622 1.00 21.01 O ATOM 771 CB ASN A 50 -7.370 -8.875 -7.880 1.00 63.23 C ATOM 772 CG ASN A 50 -7.708 -10.162 -7.142 1.00 53.04 C ATOM 773 OD1 ASN A 50 -6.824 -10.875 -6.675 1.00 43.15 O ATOM 774 ND2 ASN A 50 -8.982 -10.476 -7.029 1.00 50.20 N ATOM 0 H ASN A 50 -9.187 -6.879 -7.194 1.00 65.30 H new ATOM 0 HA ASN A 50 -6.681 -7.967 -6.051 1.00 12.32 H new ATOM 0 HB2 ASN A 50 -8.141 -8.672 -8.623 1.00 63.23 H new ATOM 0 HB3 ASN A 50 -6.433 -9.005 -8.421 1.00 63.23 H new ATOM 0 HD21 ASN A 50 -9.256 -11.330 -6.544 1.00 50.20 H new ATOM 0 HD22 ASN A 50 -9.695 -9.865 -7.427 1.00 50.20 H new ATOM 781 N ALA A 51 -7.196 -5.583 -8.208 1.00 73.24 N ATOM 782 CA ALA A 51 -6.562 -4.493 -8.956 1.00 14.34 C ATOM 783 C ALA A 51 -5.861 -3.480 -8.033 1.00 14.34 C ATOM 784 O ALA A 51 -4.646 -3.328 -8.073 1.00 50.12 O ATOM 785 CB ALA A 51 -7.598 -3.787 -9.826 1.00 53.45 C ATOM 0 H ALA A 51 -8.215 -5.539 -8.180 1.00 73.24 H new ATOM 0 HA ALA A 51 -5.793 -4.935 -9.589 1.00 14.34 H new ATOM 0 HB1 ALA A 51 -7.119 -2.979 -10.378 1.00 53.45 H new ATOM 0 HB2 ALA A 51 -8.030 -4.500 -10.528 1.00 53.45 H new ATOM 0 HB3 ALA A 51 -8.386 -3.377 -9.194 1.00 53.45 H new ATOM 791 N VAL A 52 -6.634 -2.813 -7.181 1.00 11.43 N ATOM 792 CA VAL A 52 -6.115 -1.709 -6.353 1.00 13.42 C ATOM 793 C VAL A 52 -5.696 -2.162 -4.940 1.00 65.12 C ATOM 794 O VAL A 52 -5.599 -1.346 -4.026 1.00 44.12 O ATOM 795 CB VAL A 52 -7.185 -0.594 -6.225 1.00 42.51 C ATOM 796 CG1 VAL A 52 -7.498 0.014 -7.593 1.00 64.44 C ATOM 797 CG2 VAL A 52 -8.456 -1.140 -5.566 1.00 3.31 C ATOM 0 H VAL A 52 -7.624 -3.012 -7.040 1.00 11.43 H new ATOM 0 HA VAL A 52 -5.225 -1.335 -6.859 1.00 13.42 H new ATOM 0 HB VAL A 52 -6.784 0.195 -5.588 1.00 42.51 H new ATOM 0 HG11 VAL A 52 -8.251 0.794 -7.481 1.00 64.44 H new ATOM 0 HG12 VAL A 52 -6.590 0.444 -8.016 1.00 64.44 H new ATOM 0 HG13 VAL A 52 -7.876 -0.762 -8.258 1.00 64.44 H new ATOM 0 HG21 VAL A 52 -9.195 -0.343 -5.485 1.00 3.31 H new ATOM 0 HG22 VAL A 52 -8.861 -1.950 -6.172 1.00 3.31 H new ATOM 0 HG23 VAL A 52 -8.217 -1.516 -4.571 1.00 3.31 H new ATOM 807 N ASN A 53 -5.427 -3.457 -4.765 1.00 24.22 N ATOM 808 CA ASN A 53 -5.188 -4.018 -3.420 1.00 1.45 C ATOM 809 C ASN A 53 -3.705 -4.321 -3.141 1.00 61.33 C ATOM 810 O ASN A 53 -3.383 -4.957 -2.136 1.00 52.55 O ATOM 811 CB ASN A 53 -6.008 -5.303 -3.228 1.00 50.20 C ATOM 812 CG ASN A 53 -7.507 -5.068 -3.227 1.00 4.52 C ATOM 813 OD1 ASN A 53 -8.244 -5.722 -2.508 1.00 72.22 O ATOM 814 ND2 ASN A 53 -7.985 -4.155 -4.048 1.00 4.41 N ATOM 0 H ASN A 53 -5.368 -4.136 -5.524 1.00 24.22 H new ATOM 0 HA ASN A 53 -5.502 -3.252 -2.711 1.00 1.45 H new ATOM 0 HB2 ASN A 53 -5.759 -6.006 -4.023 1.00 50.20 H new ATOM 0 HB3 ASN A 53 -5.721 -5.771 -2.286 1.00 50.20 H new ATOM 0 HD21 ASN A 53 -8.990 -3.984 -4.091 1.00 4.41 H new ATOM 0 HD22 ASN A 53 -7.350 -3.620 -4.640 1.00 4.41 H new ATOM 821 N TYR A 54 -2.797 -3.856 -3.998 1.00 31.43 N ATOM 822 CA TYR A 54 -1.371 -4.173 -3.827 1.00 70.43 C ATOM 823 C TYR A 54 -0.464 -2.952 -4.040 1.00 44.31 C ATOM 824 O TYR A 54 -0.869 -1.951 -4.632 1.00 54.50 O ATOM 825 CB TYR A 54 -0.950 -5.302 -4.783 1.00 61.32 C ATOM 826 CG TYR A 54 -0.885 -4.898 -6.250 1.00 14.53 C ATOM 827 CD1 TYR A 54 -2.018 -4.927 -7.055 1.00 64.10 C ATOM 828 CD2 TYR A 54 0.318 -4.498 -6.831 1.00 12.04 C ATOM 829 CE1 TYR A 54 -1.955 -4.569 -8.390 1.00 54.33 C ATOM 830 CE2 TYR A 54 0.387 -4.142 -8.164 1.00 35.33 C ATOM 831 CZ TYR A 54 -0.751 -4.178 -8.938 1.00 63.30 C ATOM 832 OH TYR A 54 -0.684 -3.828 -10.268 1.00 42.33 O ATOM 0 H TYR A 54 -3.012 -3.269 -4.804 1.00 31.43 H new ATOM 0 HA TYR A 54 -1.247 -4.499 -2.794 1.00 70.43 H new ATOM 0 HB2 TYR A 54 0.029 -5.673 -4.478 1.00 61.32 H new ATOM 0 HB3 TYR A 54 -1.651 -6.130 -4.678 1.00 61.32 H new ATOM 0 HD1 TYR A 54 -2.963 -5.234 -6.631 1.00 64.10 H new ATOM 0 HD2 TYR A 54 1.213 -4.466 -6.227 1.00 12.04 H new ATOM 0 HE1 TYR A 54 -2.845 -4.596 -9.001 1.00 54.33 H new ATOM 0 HE2 TYR A 54 1.328 -3.837 -8.597 1.00 35.33 H new ATOM 0 HH TYR A 54 0.236 -3.577 -10.494 1.00 42.33 H new ATOM 842 N ALA A 55 0.771 -3.059 -3.553 1.00 60.05 N ATOM 843 CA ALA A 55 1.787 -2.019 -3.742 1.00 14.31 C ATOM 844 C ALA A 55 3.073 -2.608 -4.341 1.00 45.15 C ATOM 845 O ALA A 55 3.586 -3.614 -3.850 1.00 44.12 O ATOM 846 CB ALA A 55 2.090 -1.334 -2.413 1.00 73.14 C ATOM 0 H ALA A 55 1.097 -3.864 -3.018 1.00 60.05 H new ATOM 0 HA ALA A 55 1.394 -1.281 -4.441 1.00 14.31 H new ATOM 0 HB1 ALA A 55 2.846 -0.563 -2.565 1.00 73.14 H new ATOM 0 HB2 ALA A 55 1.180 -0.878 -2.023 1.00 73.14 H new ATOM 0 HB3 ALA A 55 2.461 -2.071 -1.700 1.00 73.14 H new ATOM 852 N GLU A 56 3.582 -1.987 -5.407 1.00 62.13 N ATOM 853 CA GLU A 56 4.835 -2.425 -6.036 1.00 63.45 C ATOM 854 C GLU A 56 6.048 -1.765 -5.368 1.00 63.03 C ATOM 855 O GLU A 56 6.205 -0.544 -5.396 1.00 13.04 O ATOM 856 CB GLU A 56 4.824 -2.124 -7.543 1.00 64.00 C ATOM 857 CG GLU A 56 3.751 -2.889 -8.306 1.00 25.21 C ATOM 858 CD GLU A 56 3.861 -2.730 -9.815 1.00 12.11 C ATOM 859 OE1 GLU A 56 3.275 -1.776 -10.366 1.00 5.22 O ATOM 860 OE2 GLU A 56 4.531 -3.564 -10.461 1.00 73.10 O ATOM 0 H GLU A 56 3.148 -1.180 -5.854 1.00 62.13 H new ATOM 0 HA GLU A 56 4.916 -3.503 -5.900 1.00 63.45 H new ATOM 0 HB2 GLU A 56 4.672 -1.055 -7.691 1.00 64.00 H new ATOM 0 HB3 GLU A 56 5.800 -2.368 -7.962 1.00 64.00 H new ATOM 0 HG2 GLU A 56 3.819 -3.947 -8.053 1.00 25.21 H new ATOM 0 HG3 GLU A 56 2.769 -2.546 -7.981 1.00 25.21 H new ATOM 867 N ILE A 57 6.902 -2.594 -4.779 1.00 42.25 N ATOM 868 CA ILE A 57 8.022 -2.135 -3.955 1.00 54.13 C ATOM 869 C ILE A 57 9.375 -2.449 -4.617 1.00 33.23 C ATOM 870 O ILE A 57 9.539 -3.501 -5.238 1.00 63.45 O ATOM 871 CB ILE A 57 7.953 -2.827 -2.573 1.00 40.10 C ATOM 872 CG1 ILE A 57 6.547 -2.642 -1.973 1.00 73.52 C ATOM 873 CG2 ILE A 57 9.029 -2.282 -1.632 1.00 61.50 C ATOM 874 CD1 ILE A 57 6.226 -3.611 -0.857 1.00 0.01 C ATOM 0 H ILE A 57 6.840 -3.609 -4.858 1.00 42.25 H new ATOM 0 HA ILE A 57 7.944 -1.054 -3.843 1.00 54.13 H new ATOM 0 HB ILE A 57 8.143 -3.892 -2.702 1.00 40.10 H new ATOM 0 HG12 ILE A 57 6.455 -1.624 -1.595 1.00 73.52 H new ATOM 0 HG13 ILE A 57 5.807 -2.756 -2.765 1.00 73.52 H new ATOM 0 HG21 ILE A 57 8.958 -2.785 -0.668 1.00 61.50 H new ATOM 0 HG22 ILE A 57 10.014 -2.461 -2.063 1.00 61.50 H new ATOM 0 HG23 ILE A 57 8.883 -1.211 -1.494 1.00 61.50 H new ATOM 0 HD11 ILE A 57 5.219 -3.418 -0.486 1.00 0.01 H new ATOM 0 HD12 ILE A 57 6.284 -4.632 -1.234 1.00 0.01 H new ATOM 0 HD13 ILE A 57 6.943 -3.482 -0.046 1.00 0.01 H new ATOM 886 N ASN A 58 10.339 -1.537 -4.481 1.00 73.44 N ATOM 887 CA ASN A 58 11.678 -1.738 -5.050 1.00 31.32 C ATOM 888 C ASN A 58 12.402 -2.921 -4.384 1.00 73.33 C ATOM 889 O ASN A 58 12.199 -3.204 -3.203 1.00 34.44 O ATOM 890 CB ASN A 58 12.522 -0.465 -4.908 1.00 32.05 C ATOM 891 CG ASN A 58 13.913 -0.626 -5.502 1.00 63.41 C ATOM 892 OD1 ASN A 58 14.869 -0.973 -4.814 1.00 24.22 O ATOM 893 ND2 ASN A 58 14.031 -0.406 -6.791 1.00 53.32 N ATOM 0 H ASN A 58 10.221 -0.654 -3.984 1.00 73.44 H new ATOM 0 HA ASN A 58 11.552 -1.967 -6.108 1.00 31.32 H new ATOM 0 HB2 ASN A 58 12.012 0.363 -5.401 1.00 32.05 H new ATOM 0 HB3 ASN A 58 12.608 -0.204 -3.853 1.00 32.05 H new ATOM 0 HD21 ASN A 58 14.936 -0.523 -7.248 1.00 53.32 H new ATOM 0 HD22 ASN A 58 13.218 -0.119 -7.336 1.00 53.32 H new ATOM 900 N GLU A 59 13.256 -3.594 -5.153 1.00 42.45 N ATOM 901 CA GLU A 59 14.010 -4.756 -4.665 1.00 15.42 C ATOM 902 C GLU A 59 14.798 -4.440 -3.377 1.00 12.45 C ATOM 903 O GLU A 59 14.707 -5.168 -2.388 1.00 63.44 O ATOM 904 CB GLU A 59 14.970 -5.246 -5.758 1.00 33.23 C ATOM 905 CG GLU A 59 15.740 -6.516 -5.398 1.00 13.51 C ATOM 906 CD GLU A 59 14.846 -7.738 -5.234 1.00 71.22 C ATOM 907 OE1 GLU A 59 14.548 -8.411 -6.242 1.00 22.31 O ATOM 908 OE2 GLU A 59 14.433 -8.039 -4.096 1.00 75.24 O ATOM 0 H GLU A 59 13.447 -3.354 -6.126 1.00 42.45 H new ATOM 0 HA GLU A 59 13.290 -5.538 -4.423 1.00 15.42 H new ATOM 0 HB2 GLU A 59 14.401 -5.427 -6.670 1.00 33.23 H new ATOM 0 HB3 GLU A 59 15.684 -4.453 -5.980 1.00 33.23 H new ATOM 0 HG2 GLU A 59 16.479 -6.717 -6.174 1.00 13.51 H new ATOM 0 HG3 GLU A 59 16.289 -6.349 -4.471 1.00 13.51 H new ATOM 915 N GLU A 60 15.555 -3.346 -3.388 1.00 51.13 N ATOM 916 CA GLU A 60 16.390 -2.970 -2.241 1.00 60.34 C ATOM 917 C GLU A 60 15.559 -2.829 -0.953 1.00 23.31 C ATOM 918 O GLU A 60 15.881 -3.432 0.074 1.00 52.14 O ATOM 919 CB GLU A 60 17.136 -1.662 -2.536 1.00 0.50 C ATOM 920 CG GLU A 60 18.052 -1.730 -3.756 1.00 23.01 C ATOM 921 CD GLU A 60 19.147 -2.780 -3.622 1.00 53.14 C ATOM 922 OE1 GLU A 60 20.188 -2.483 -2.999 1.00 0.33 O ATOM 923 OE2 GLU A 60 18.975 -3.902 -4.138 1.00 15.32 O ATOM 0 H GLU A 60 15.610 -2.702 -4.177 1.00 51.13 H new ATOM 0 HA GLU A 60 17.114 -3.769 -2.082 1.00 60.34 H new ATOM 0 HB2 GLU A 60 16.407 -0.866 -2.686 1.00 0.50 H new ATOM 0 HB3 GLU A 60 17.730 -1.390 -1.663 1.00 0.50 H new ATOM 0 HG2 GLU A 60 17.454 -1.948 -4.641 1.00 23.01 H new ATOM 0 HG3 GLU A 60 18.510 -0.754 -3.914 1.00 23.01 H new ATOM 930 N ASP A 61 14.481 -2.048 -1.019 1.00 31.15 N ATOM 931 CA ASP A 61 13.599 -1.844 0.138 1.00 45.45 C ATOM 932 C ASP A 61 12.884 -3.149 0.518 1.00 62.13 C ATOM 933 O ASP A 61 12.661 -3.433 1.697 1.00 74.34 O ATOM 934 CB ASP A 61 12.571 -0.753 -0.165 1.00 10.24 C ATOM 935 CG ASP A 61 13.232 0.534 -0.614 1.00 23.53 C ATOM 936 OD1 ASP A 61 13.934 1.169 0.203 1.00 65.44 O ATOM 937 OD2 ASP A 61 13.072 0.904 -1.792 1.00 44.31 O ATOM 0 H ASP A 61 14.195 -1.545 -1.859 1.00 31.15 H new ATOM 0 HA ASP A 61 14.213 -1.529 0.982 1.00 45.45 H new ATOM 0 HB2 ASP A 61 11.889 -1.101 -0.941 1.00 10.24 H new ATOM 0 HB3 ASP A 61 11.971 -0.562 0.725 1.00 10.24 H new ATOM 942 N TRP A 62 12.538 -3.940 -0.499 1.00 71.32 N ATOM 943 CA TRP A 62 11.909 -5.250 -0.307 1.00 30.14 C ATOM 944 C TRP A 62 12.739 -6.126 0.649 1.00 14.30 C ATOM 945 O TRP A 62 12.214 -6.684 1.619 1.00 5.02 O ATOM 946 CB TRP A 62 11.748 -5.942 -1.672 1.00 5.31 C ATOM 947 CG TRP A 62 11.062 -7.270 -1.611 1.00 14.41 C ATOM 948 CD1 TRP A 62 11.642 -8.483 -1.378 1.00 12.21 C ATOM 949 CD2 TRP A 62 9.664 -7.522 -1.796 1.00 4.14 C ATOM 950 NE1 TRP A 62 10.693 -9.469 -1.402 1.00 43.12 N ATOM 951 CE2 TRP A 62 9.472 -8.908 -1.657 1.00 74.33 C ATOM 952 CE3 TRP A 62 8.556 -6.712 -2.063 1.00 52.41 C ATOM 953 CZ2 TRP A 62 8.218 -9.501 -1.775 1.00 42.14 C ATOM 954 CZ3 TRP A 62 7.313 -7.303 -2.179 1.00 4.33 C ATOM 955 CH2 TRP A 62 7.152 -8.687 -2.036 1.00 62.13 C ATOM 0 H TRP A 62 12.685 -3.692 -1.477 1.00 71.32 H new ATOM 0 HA TRP A 62 10.927 -5.108 0.144 1.00 30.14 H new ATOM 0 HB2 TRP A 62 11.185 -5.285 -2.335 1.00 5.31 H new ATOM 0 HB3 TRP A 62 12.734 -6.075 -2.117 1.00 5.31 H new ATOM 0 HD1 TRP A 62 12.695 -8.642 -1.201 1.00 12.21 H new ATOM 0 HE1 TRP A 62 10.868 -10.463 -1.254 1.00 43.12 H new ATOM 0 HE3 TRP A 62 8.670 -5.644 -2.176 1.00 52.41 H new ATOM 0 HZ2 TRP A 62 8.092 -10.568 -1.664 1.00 42.14 H new ATOM 0 HZ3 TRP A 62 6.450 -6.687 -2.384 1.00 4.33 H new ATOM 0 HH2 TRP A 62 6.167 -9.119 -2.134 1.00 62.13 H new ATOM 966 N ASN A 63 14.042 -6.229 0.379 1.00 34.13 N ATOM 967 CA ASN A 63 14.952 -6.991 1.245 1.00 14.35 C ATOM 968 C ASN A 63 15.186 -6.267 2.582 1.00 4.52 C ATOM 969 O ASN A 63 15.282 -6.902 3.634 1.00 71.13 O ATOM 970 CB ASN A 63 16.294 -7.239 0.541 1.00 31.11 C ATOM 971 CG ASN A 63 16.136 -8.033 -0.745 1.00 11.42 C ATOM 972 OD1 ASN A 63 16.128 -9.262 -0.739 1.00 0.10 O ATOM 973 ND2 ASN A 63 16.021 -7.345 -1.857 1.00 51.40 N ATOM 0 H ASN A 63 14.492 -5.797 -0.428 1.00 34.13 H new ATOM 0 HA ASN A 63 14.480 -7.951 1.452 1.00 14.35 H new ATOM 0 HB2 ASN A 63 16.766 -6.282 0.318 1.00 31.11 H new ATOM 0 HB3 ASN A 63 16.962 -7.775 1.216 1.00 31.11 H new ATOM 0 HD21 ASN A 63 15.921 -7.830 -2.749 1.00 51.40 H new ATOM 0 HD22 ASN A 63 16.031 -6.325 -1.829 1.00 51.40 H new ATOM 980 N ALA A 64 15.263 -4.935 2.533 1.00 1.42 N ATOM 981 CA ALA A 64 15.465 -4.114 3.738 1.00 32.02 C ATOM 982 C ALA A 64 14.342 -4.312 4.771 1.00 24.42 C ATOM 983 O ALA A 64 14.570 -4.223 5.980 1.00 61.54 O ATOM 984 CB ALA A 64 15.565 -2.644 3.351 1.00 42.21 C ATOM 0 H ALA A 64 15.189 -4.397 1.670 1.00 1.42 H new ATOM 0 HA ALA A 64 16.396 -4.437 4.204 1.00 32.02 H new ATOM 0 HB1 ALA A 64 15.714 -2.041 4.247 1.00 42.21 H new ATOM 0 HB2 ALA A 64 16.407 -2.503 2.674 1.00 42.21 H new ATOM 0 HB3 ALA A 64 14.645 -2.335 2.855 1.00 42.21 H new ATOM 990 N LEU A 65 13.129 -4.559 4.286 1.00 40.22 N ATOM 991 CA LEU A 65 11.977 -4.816 5.156 1.00 45.12 C ATOM 992 C LEU A 65 11.818 -6.311 5.468 1.00 4.05 C ATOM 993 O LEU A 65 11.074 -6.684 6.378 1.00 61.32 O ATOM 994 CB LEU A 65 10.699 -4.286 4.494 1.00 1.32 C ATOM 995 CG LEU A 65 10.631 -2.761 4.328 1.00 33.13 C ATOM 996 CD1 LEU A 65 9.431 -2.364 3.475 1.00 14.33 C ATOM 997 CD2 LEU A 65 10.575 -2.076 5.690 1.00 14.13 C ATOM 0 H LEU A 65 12.914 -4.588 3.289 1.00 40.22 H new ATOM 0 HA LEU A 65 12.150 -4.297 6.099 1.00 45.12 H new ATOM 0 HB2 LEU A 65 10.600 -4.747 3.511 1.00 1.32 H new ATOM 0 HB3 LEU A 65 9.842 -4.609 5.085 1.00 1.32 H new ATOM 0 HG LEU A 65 11.535 -2.432 3.816 1.00 33.13 H new ATOM 0 HD11 LEU A 65 9.402 -1.279 3.370 1.00 14.33 H new ATOM 0 HD12 LEU A 65 9.518 -2.822 2.490 1.00 14.33 H new ATOM 0 HD13 LEU A 65 8.514 -2.707 3.955 1.00 14.33 H new ATOM 0 HD21 LEU A 65 10.527 -0.996 5.552 1.00 14.13 H new ATOM 0 HD22 LEU A 65 9.690 -2.412 6.230 1.00 14.13 H new ATOM 0 HD23 LEU A 65 11.468 -2.330 6.262 1.00 14.13 H new ATOM 1009 N GLY A 66 12.525 -7.158 4.720 1.00 11.42 N ATOM 1010 CA GLY A 66 12.370 -8.602 4.868 1.00 14.43 C ATOM 1011 C GLY A 66 11.006 -9.083 4.395 1.00 15.42 C ATOM 1012 O GLY A 66 10.268 -9.744 5.133 1.00 61.34 O ATOM 0 H GLY A 66 13.203 -6.872 4.014 1.00 11.42 H new ATOM 0 HA2 GLY A 66 13.150 -9.110 4.300 1.00 14.43 H new ATOM 0 HA3 GLY A 66 12.508 -8.876 5.914 1.00 14.43 H new ATOM 1016 N LEU A 67 10.657 -8.720 3.168 1.00 2.53 N ATOM 1017 CA LEU A 67 9.368 -9.091 2.589 1.00 45.12 C ATOM 1018 C LEU A 67 9.455 -10.404 1.797 1.00 34.12 C ATOM 1019 O LEU A 67 10.408 -10.644 1.047 1.00 35.23 O ATOM 1020 CB LEU A 67 8.866 -7.969 1.670 1.00 31.15 C ATOM 1021 CG LEU A 67 8.750 -6.580 2.321 1.00 0.22 C ATOM 1022 CD1 LEU A 67 8.282 -5.545 1.305 1.00 52.11 C ATOM 1023 CD2 LEU A 67 7.813 -6.619 3.522 1.00 31.12 C ATOM 0 H LEU A 67 11.250 -8.166 2.550 1.00 2.53 H new ATOM 0 HA LEU A 67 8.668 -9.240 3.411 1.00 45.12 H new ATOM 0 HB2 LEU A 67 9.539 -7.895 0.815 1.00 31.15 H new ATOM 0 HB3 LEU A 67 7.887 -8.252 1.282 1.00 31.15 H new ATOM 0 HG LEU A 67 9.739 -6.289 2.674 1.00 0.22 H new ATOM 0 HD11 LEU A 67 8.207 -4.570 1.787 1.00 52.11 H new ATOM 0 HD12 LEU A 67 8.998 -5.490 0.485 1.00 52.11 H new ATOM 0 HD13 LEU A 67 7.306 -5.833 0.915 1.00 52.11 H new ATOM 0 HD21 LEU A 67 7.748 -5.625 3.965 1.00 31.12 H new ATOM 0 HD22 LEU A 67 6.822 -6.939 3.200 1.00 31.12 H new ATOM 0 HD23 LEU A 67 8.198 -7.321 4.261 1.00 31.12 H new ATOM 1035 N GLN A 68 8.455 -11.254 1.971 1.00 10.23 N ATOM 1036 CA GLN A 68 8.319 -12.466 1.167 1.00 4.30 C ATOM 1037 C GLN A 68 7.154 -12.307 0.185 1.00 31.21 C ATOM 1038 O GLN A 68 6.135 -11.694 0.513 1.00 14.31 O ATOM 1039 CB GLN A 68 8.098 -13.695 2.065 1.00 75.41 C ATOM 1040 CG GLN A 68 7.904 -14.995 1.287 1.00 15.34 C ATOM 1041 CD GLN A 68 7.799 -16.223 2.178 1.00 2.24 C ATOM 1042 OE1 GLN A 68 7.357 -16.150 3.319 1.00 65.11 O ATOM 1043 NE2 GLN A 68 8.196 -17.365 1.657 1.00 65.03 N ATOM 0 H GLN A 68 7.719 -11.128 2.666 1.00 10.23 H new ATOM 0 HA GLN A 68 9.241 -12.619 0.606 1.00 4.30 H new ATOM 0 HB2 GLN A 68 8.953 -13.805 2.732 1.00 75.41 H new ATOM 0 HB3 GLN A 68 7.224 -13.523 2.693 1.00 75.41 H new ATOM 0 HG2 GLN A 68 7.001 -14.916 0.682 1.00 15.34 H new ATOM 0 HG3 GLN A 68 8.739 -15.125 0.598 1.00 15.34 H new ATOM 0 HE21 GLN A 68 8.559 -17.392 0.704 1.00 65.03 H new ATOM 0 HE22 GLN A 68 8.140 -18.223 2.206 1.00 65.03 H new ATOM 1052 N GLU A 69 7.314 -12.838 -1.020 1.00 45.10 N ATOM 1053 CA GLU A 69 6.281 -12.731 -2.052 1.00 3.20 C ATOM 1054 C GLU A 69 4.985 -13.420 -1.606 1.00 4.31 C ATOM 1055 O GLU A 69 4.850 -14.647 -1.662 1.00 42.24 O ATOM 1056 CB GLU A 69 6.811 -13.295 -3.379 1.00 23.03 C ATOM 1057 CG GLU A 69 7.889 -12.406 -3.997 1.00 42.13 C ATOM 1058 CD GLU A 69 8.779 -13.128 -4.996 1.00 74.11 C ATOM 1059 OE1 GLU A 69 8.442 -13.156 -6.196 1.00 21.04 O ATOM 1060 OE2 GLU A 69 9.835 -13.658 -4.574 1.00 3.15 O ATOM 0 H GLU A 69 8.148 -13.348 -1.311 1.00 45.10 H new ATOM 0 HA GLU A 69 6.038 -11.680 -2.208 1.00 3.20 H new ATOM 0 HB2 GLU A 69 7.218 -14.292 -3.211 1.00 23.03 H new ATOM 0 HB3 GLU A 69 5.985 -13.402 -4.082 1.00 23.03 H new ATOM 0 HG2 GLU A 69 7.410 -11.562 -4.494 1.00 42.13 H new ATOM 0 HG3 GLU A 69 8.510 -11.996 -3.200 1.00 42.13 H new ATOM 1067 N GLY A 70 4.042 -12.603 -1.142 1.00 63.40 N ATOM 1068 CA GLY A 70 2.809 -13.107 -0.539 1.00 13.05 C ATOM 1069 C GLY A 70 2.442 -12.386 0.763 1.00 11.22 C ATOM 1070 O GLY A 70 1.315 -12.507 1.249 1.00 34.01 O ATOM 0 H GLY A 70 4.108 -11.586 -1.172 1.00 63.40 H new ATOM 0 HA2 GLY A 70 1.991 -12.998 -1.251 1.00 13.05 H new ATOM 0 HA3 GLY A 70 2.918 -14.173 -0.340 1.00 13.05 H new ATOM 1074 N ASP A 71 3.394 -11.641 1.338 1.00 75.40 N ATOM 1075 CA ASP A 71 3.150 -10.869 2.569 1.00 54.22 C ATOM 1076 C ASP A 71 2.256 -9.638 2.327 1.00 13.33 C ATOM 1077 O ASP A 71 1.845 -9.347 1.200 1.00 52.51 O ATOM 1078 CB ASP A 71 4.477 -10.402 3.194 1.00 53.42 C ATOM 1079 CG ASP A 71 5.209 -11.496 3.955 1.00 61.24 C ATOM 1080 OD1 ASP A 71 4.541 -12.360 4.556 1.00 21.35 O ATOM 1081 OD2 ASP A 71 6.458 -11.465 3.992 1.00 24.43 O ATOM 0 H ASP A 71 4.342 -11.555 0.972 1.00 75.40 H new ATOM 0 HA ASP A 71 2.630 -11.542 3.251 1.00 54.22 H new ATOM 0 HB2 ASP A 71 5.127 -10.022 2.405 1.00 53.42 H new ATOM 0 HB3 ASP A 71 4.278 -9.571 3.871 1.00 53.42 H new ATOM 1086 N ARG A 72 1.975 -8.913 3.410 1.00 61.20 N ATOM 1087 CA ARG A 72 1.217 -7.660 3.347 1.00 52.23 C ATOM 1088 C ARG A 72 1.936 -6.563 4.147 1.00 4.23 C ATOM 1089 O ARG A 72 2.603 -6.846 5.145 1.00 63.42 O ATOM 1090 CB ARG A 72 -0.226 -7.847 3.859 1.00 21.43 C ATOM 1091 CG ARG A 72 -0.350 -8.342 5.304 1.00 72.05 C ATOM 1092 CD ARG A 72 -0.086 -9.841 5.435 1.00 21.14 C ATOM 1093 NE ARG A 72 -0.222 -10.309 6.815 1.00 1.51 N ATOM 1094 CZ ARG A 72 0.282 -11.429 7.272 1.00 30.14 C ATOM 1095 NH1 ARG A 72 0.957 -12.216 6.492 1.00 34.00 N ATOM 1096 NH2 ARG A 72 0.105 -11.758 8.511 1.00 34.43 N ATOM 0 H ARG A 72 2.264 -9.175 4.352 1.00 61.20 H new ATOM 0 HA ARG A 72 1.159 -7.354 2.302 1.00 52.23 H new ATOM 0 HB2 ARG A 72 -0.751 -6.896 3.772 1.00 21.43 H new ATOM 0 HB3 ARG A 72 -0.737 -8.554 3.205 1.00 21.43 H new ATOM 0 HG2 ARG A 72 0.354 -7.796 5.933 1.00 72.05 H new ATOM 0 HG3 ARG A 72 -1.350 -8.119 5.676 1.00 72.05 H new ATOM 0 HD2 ARG A 72 -0.781 -10.387 4.798 1.00 21.14 H new ATOM 0 HD3 ARG A 72 0.918 -10.064 5.075 1.00 21.14 H new ATOM 0 HE ARG A 72 -0.745 -9.723 7.466 1.00 1.51 H new ATOM 0 HH11 ARG A 72 1.099 -11.965 5.514 1.00 34.00 H new ATOM 0 HH12 ARG A 72 1.345 -13.086 6.857 1.00 34.00 H new ATOM 0 HH21 ARG A 72 -0.426 -11.146 9.130 1.00 34.43 H new ATOM 0 HH22 ARG A 72 0.497 -12.629 8.868 1.00 34.43 H new ATOM 1110 N VAL A 73 1.808 -5.315 3.705 1.00 52.22 N ATOM 1111 CA VAL A 73 2.545 -4.203 4.314 1.00 44.13 C ATOM 1112 C VAL A 73 1.627 -3.068 4.792 1.00 34.54 C ATOM 1113 O VAL A 73 0.529 -2.861 4.266 1.00 42.53 O ATOM 1114 CB VAL A 73 3.594 -3.618 3.329 1.00 60.21 C ATOM 1115 CG1 VAL A 73 4.715 -4.623 3.060 1.00 65.40 C ATOM 1116 CG2 VAL A 73 2.929 -3.186 2.021 1.00 63.22 C ATOM 0 H VAL A 73 1.203 -5.045 2.929 1.00 52.22 H new ATOM 0 HA VAL A 73 3.046 -4.625 5.185 1.00 44.13 H new ATOM 0 HB VAL A 73 4.036 -2.737 3.794 1.00 60.21 H new ATOM 0 HG11 VAL A 73 5.435 -4.188 2.367 1.00 65.40 H new ATOM 0 HG12 VAL A 73 5.215 -4.869 3.997 1.00 65.40 H new ATOM 0 HG13 VAL A 73 4.294 -5.529 2.624 1.00 65.40 H new ATOM 0 HG21 VAL A 73 3.683 -2.779 1.347 1.00 63.22 H new ATOM 0 HG22 VAL A 73 2.451 -4.047 1.554 1.00 63.22 H new ATOM 0 HG23 VAL A 73 2.179 -2.423 2.229 1.00 63.22 H new ATOM 1126 N LYS A 74 2.098 -2.343 5.803 1.00 50.51 N ATOM 1127 CA LYS A 74 1.408 -1.157 6.314 1.00 24.22 C ATOM 1128 C LYS A 74 1.960 0.114 5.648 1.00 31.11 C ATOM 1129 O LYS A 74 3.157 0.395 5.724 1.00 13.23 O ATOM 1130 CB LYS A 74 1.579 -1.068 7.841 1.00 52.25 C ATOM 1131 CG LYS A 74 1.076 0.237 8.461 1.00 52.32 C ATOM 1132 CD LYS A 74 -0.451 0.332 8.500 1.00 2.41 C ATOM 1133 CE LYS A 74 -1.051 -0.673 9.475 1.00 75.15 C ATOM 1134 NZ LYS A 74 -2.504 -0.448 9.693 1.00 52.25 N ATOM 0 H LYS A 74 2.967 -2.559 6.292 1.00 50.51 H new ATOM 0 HA LYS A 74 0.347 -1.241 6.077 1.00 24.22 H new ATOM 0 HB2 LYS A 74 1.050 -1.902 8.302 1.00 52.25 H new ATOM 0 HB3 LYS A 74 2.635 -1.187 8.083 1.00 52.25 H new ATOM 0 HG2 LYS A 74 1.466 0.325 9.475 1.00 52.32 H new ATOM 0 HG3 LYS A 74 1.472 1.079 7.893 1.00 52.32 H new ATOM 0 HD2 LYS A 74 -0.746 1.341 8.789 1.00 2.41 H new ATOM 0 HD3 LYS A 74 -0.853 0.156 7.502 1.00 2.41 H new ATOM 0 HE2 LYS A 74 -0.895 -1.683 9.095 1.00 75.15 H new ATOM 0 HE3 LYS A 74 -0.528 -0.607 10.429 1.00 75.15 H new ATOM 0 HZ1 LYS A 74 -2.879 -1.186 10.323 1.00 52.25 H new ATOM 0 HZ2 LYS A 74 -2.649 0.486 10.128 1.00 52.25 H new ATOM 0 HZ3 LYS A 74 -3.002 -0.486 8.781 1.00 52.25 H new ATOM 1148 N VAL A 75 1.084 0.870 4.998 1.00 33.40 N ATOM 1149 CA VAL A 75 1.466 2.119 4.333 1.00 11.10 C ATOM 1150 C VAL A 75 0.916 3.320 5.110 1.00 33.03 C ATOM 1151 O VAL A 75 -0.282 3.389 5.388 1.00 13.14 O ATOM 1152 CB VAL A 75 0.942 2.165 2.875 1.00 42.31 C ATOM 1153 CG1 VAL A 75 1.394 3.444 2.170 1.00 61.51 C ATOM 1154 CG2 VAL A 75 1.389 0.927 2.097 1.00 24.54 C ATOM 0 H VAL A 75 0.094 0.641 4.914 1.00 33.40 H new ATOM 0 HA VAL A 75 2.555 2.163 4.310 1.00 11.10 H new ATOM 0 HB VAL A 75 -0.147 2.168 2.910 1.00 42.31 H new ATOM 0 HG11 VAL A 75 1.013 3.451 1.149 1.00 61.51 H new ATOM 0 HG12 VAL A 75 1.009 4.311 2.707 1.00 61.51 H new ATOM 0 HG13 VAL A 75 2.483 3.483 2.151 1.00 61.51 H new ATOM 0 HG21 VAL A 75 1.009 0.982 1.077 1.00 24.54 H new ATOM 0 HG22 VAL A 75 2.478 0.883 2.077 1.00 24.54 H new ATOM 0 HG23 VAL A 75 0.999 0.032 2.582 1.00 24.54 H new ATOM 1164 N LYS A 76 1.793 4.257 5.466 1.00 55.42 N ATOM 1165 CA LYS A 76 1.416 5.388 6.324 1.00 71.43 C ATOM 1166 C LYS A 76 1.928 6.730 5.788 1.00 20.40 C ATOM 1167 O LYS A 76 3.098 6.874 5.431 1.00 61.45 O ATOM 1168 CB LYS A 76 1.943 5.154 7.745 1.00 43.35 C ATOM 1169 CG LYS A 76 1.196 4.052 8.489 1.00 21.31 C ATOM 1170 CD LYS A 76 2.087 3.318 9.482 1.00 42.31 C ATOM 1171 CE LYS A 76 2.686 4.244 10.534 1.00 50.52 C ATOM 1172 NZ LYS A 76 3.491 3.492 11.537 1.00 53.11 N ATOM 0 H LYS A 76 2.771 4.259 5.175 1.00 55.42 H new ATOM 0 HA LYS A 76 0.327 5.443 6.332 1.00 71.43 H new ATOM 0 HB2 LYS A 76 3.001 4.897 7.695 1.00 43.35 H new ATOM 0 HB3 LYS A 76 1.866 6.082 8.311 1.00 43.35 H new ATOM 0 HG2 LYS A 76 0.347 4.485 9.018 1.00 21.31 H new ATOM 0 HG3 LYS A 76 0.794 3.339 7.769 1.00 21.31 H new ATOM 0 HD2 LYS A 76 1.507 2.540 9.978 1.00 42.31 H new ATOM 0 HD3 LYS A 76 2.892 2.820 8.942 1.00 42.31 H new ATOM 0 HE2 LYS A 76 3.315 4.989 10.047 1.00 50.52 H new ATOM 0 HE3 LYS A 76 1.886 4.784 11.041 1.00 50.52 H new ATOM 0 HZ1 LYS A 76 4.322 4.055 11.808 1.00 53.11 H new ATOM 0 HZ2 LYS A 76 2.910 3.305 12.379 1.00 53.11 H new ATOM 0 HZ3 LYS A 76 3.804 2.590 11.125 1.00 53.11 H new ATOM 1186 N THR A 77 1.032 7.708 5.747 1.00 43.41 N ATOM 1187 CA THR A 77 1.359 9.072 5.299 1.00 3.20 C ATOM 1188 C THR A 77 0.766 10.111 6.257 1.00 42.02 C ATOM 1189 O THR A 77 0.259 9.764 7.330 1.00 52.42 O ATOM 1190 CB THR A 77 0.812 9.369 3.880 1.00 42.12 C ATOM 1191 OG1 THR A 77 -0.623 9.416 3.906 1.00 3.11 O ATOM 1192 CG2 THR A 77 1.274 8.324 2.866 1.00 32.11 C ATOM 0 H THR A 77 0.057 7.587 6.021 1.00 43.41 H new ATOM 0 HA THR A 77 2.447 9.136 5.284 1.00 3.20 H new ATOM 0 HB THR A 77 1.207 10.337 3.570 1.00 42.12 H new ATOM 0 HG1 THR A 77 -0.966 9.433 2.988 1.00 3.11 H new ATOM 0 HG21 THR A 77 0.870 8.567 1.883 1.00 32.11 H new ATOM 0 HG22 THR A 77 2.363 8.319 2.819 1.00 32.11 H new ATOM 0 HG23 THR A 77 0.919 7.339 3.171 1.00 32.11 H new ATOM 1200 N GLU A 78 0.829 11.386 5.880 1.00 54.31 N ATOM 1201 CA GLU A 78 0.212 12.447 6.685 1.00 23.51 C ATOM 1202 C GLU A 78 -1.317 12.429 6.526 1.00 42.40 C ATOM 1203 O GLU A 78 -2.048 12.981 7.352 1.00 61.42 O ATOM 1204 CB GLU A 78 0.766 13.835 6.317 1.00 41.54 C ATOM 1205 CG GLU A 78 0.480 14.284 4.886 1.00 1.25 C ATOM 1206 CD GLU A 78 1.506 13.781 3.883 1.00 53.32 C ATOM 1207 OE1 GLU A 78 1.394 12.625 3.434 1.00 75.11 O ATOM 1208 OE2 GLU A 78 2.437 14.543 3.540 1.00 72.54 O ATOM 0 H GLU A 78 1.295 11.711 5.033 1.00 54.31 H new ATOM 0 HA GLU A 78 0.463 12.251 7.728 1.00 23.51 H new ATOM 0 HB2 GLU A 78 0.347 14.571 7.003 1.00 41.54 H new ATOM 0 HB3 GLU A 78 1.845 13.832 6.472 1.00 41.54 H new ATOM 0 HG2 GLU A 78 -0.509 13.931 4.592 1.00 1.25 H new ATOM 0 HG3 GLU A 78 0.453 15.373 4.853 1.00 1.25 H new ATOM 1215 N PHE A 79 -1.792 11.781 5.462 1.00 31.32 N ATOM 1216 CA PHE A 79 -3.231 11.659 5.201 1.00 61.34 C ATOM 1217 C PHE A 79 -3.860 10.531 6.034 1.00 2.41 C ATOM 1218 O PHE A 79 -4.843 10.749 6.745 1.00 0.03 O ATOM 1219 CB PHE A 79 -3.483 11.417 3.708 1.00 53.43 C ATOM 1220 CG PHE A 79 -3.050 12.569 2.835 1.00 4.53 C ATOM 1221 CD1 PHE A 79 -3.901 13.641 2.605 1.00 34.32 C ATOM 1222 CD2 PHE A 79 -1.790 12.584 2.251 1.00 14.43 C ATOM 1223 CE1 PHE A 79 -3.504 14.701 1.814 1.00 35.21 C ATOM 1224 CE2 PHE A 79 -1.390 13.644 1.459 1.00 72.40 C ATOM 1225 CZ PHE A 79 -2.248 14.702 1.240 1.00 61.32 C ATOM 0 H PHE A 79 -1.201 11.330 4.763 1.00 31.32 H new ATOM 0 HA PHE A 79 -3.703 12.597 5.495 1.00 61.34 H new ATOM 0 HB2 PHE A 79 -2.953 10.516 3.398 1.00 53.43 H new ATOM 0 HB3 PHE A 79 -4.546 11.231 3.551 1.00 53.43 H new ATOM 0 HD1 PHE A 79 -4.885 13.646 3.050 1.00 34.32 H new ATOM 0 HD2 PHE A 79 -1.115 11.758 2.418 1.00 14.43 H new ATOM 0 HE1 PHE A 79 -4.176 15.529 1.644 1.00 35.21 H new ATOM 0 HE2 PHE A 79 -0.407 13.644 1.012 1.00 72.40 H new ATOM 0 HZ PHE A 79 -1.938 15.530 0.620 1.00 61.32 H new ATOM 1235 N GLY A 80 -3.283 9.334 5.955 1.00 55.23 N ATOM 1236 CA GLY A 80 -3.812 8.198 6.706 1.00 51.35 C ATOM 1237 C GLY A 80 -2.936 6.950 6.613 1.00 44.20 C ATOM 1238 O GLY A 80 -1.718 7.046 6.451 1.00 54.41 O ATOM 0 H GLY A 80 -2.461 9.127 5.387 1.00 55.23 H new ATOM 0 HA2 GLY A 80 -3.918 8.482 7.753 1.00 51.35 H new ATOM 0 HA3 GLY A 80 -4.810 7.961 6.337 1.00 51.35 H new ATOM 1242 N GLU A 81 -3.561 5.777 6.712 1.00 3.01 N ATOM 1243 CA GLU A 81 -2.838 4.499 6.672 1.00 72.55 C ATOM 1244 C GLU A 81 -3.695 3.389 6.041 1.00 53.14 C ATOM 1245 O GLU A 81 -4.925 3.448 6.072 1.00 22.20 O ATOM 1246 CB GLU A 81 -2.414 4.078 8.089 1.00 30.11 C ATOM 1247 CG GLU A 81 -3.583 3.911 9.055 1.00 71.33 C ATOM 1248 CD GLU A 81 -3.165 3.336 10.399 1.00 64.51 C ATOM 1249 OE1 GLU A 81 -2.802 4.115 11.304 1.00 60.23 O ATOM 1250 OE2 GLU A 81 -3.203 2.098 10.557 1.00 20.01 O ATOM 0 H GLU A 81 -4.571 5.682 6.821 1.00 3.01 H new ATOM 0 HA GLU A 81 -1.951 4.643 6.055 1.00 72.55 H new ATOM 0 HB2 GLU A 81 -1.866 3.138 8.030 1.00 30.11 H new ATOM 0 HB3 GLU A 81 -1.727 4.823 8.490 1.00 30.11 H new ATOM 0 HG2 GLU A 81 -4.059 4.879 9.212 1.00 71.33 H new ATOM 0 HG3 GLU A 81 -4.330 3.258 8.603 1.00 71.33 H new ATOM 1257 N VAL A 82 -3.040 2.377 5.472 1.00 2.34 N ATOM 1258 CA VAL A 82 -3.746 1.238 4.866 1.00 31.15 C ATOM 1259 C VAL A 82 -2.840 -0.009 4.779 1.00 14.54 C ATOM 1260 O VAL A 82 -1.628 0.107 4.597 1.00 24.03 O ATOM 1261 CB VAL A 82 -4.269 1.603 3.448 1.00 41.13 C ATOM 1262 CG1 VAL A 82 -3.113 1.835 2.475 1.00 41.54 C ATOM 1263 CG2 VAL A 82 -5.235 0.540 2.916 1.00 45.05 C ATOM 0 H VAL A 82 -2.023 2.319 5.416 1.00 2.34 H new ATOM 0 HA VAL A 82 -4.593 1.004 5.511 1.00 31.15 H new ATOM 0 HB VAL A 82 -4.824 2.537 3.534 1.00 41.13 H new ATOM 0 HG11 VAL A 82 -3.510 2.088 1.492 1.00 41.54 H new ATOM 0 HG12 VAL A 82 -2.491 2.654 2.837 1.00 41.54 H new ATOM 0 HG13 VAL A 82 -2.512 0.929 2.401 1.00 41.54 H new ATOM 0 HG21 VAL A 82 -5.581 0.827 1.923 1.00 45.05 H new ATOM 0 HG22 VAL A 82 -4.723 -0.421 2.858 1.00 45.05 H new ATOM 0 HG23 VAL A 82 -6.089 0.456 3.588 1.00 45.05 H new ATOM 1273 N VAL A 83 -3.430 -1.197 4.937 1.00 2.43 N ATOM 1274 CA VAL A 83 -2.693 -2.461 4.770 1.00 70.14 C ATOM 1275 C VAL A 83 -3.012 -3.098 3.409 1.00 62.14 C ATOM 1276 O VAL A 83 -4.157 -3.469 3.147 1.00 21.23 O ATOM 1277 CB VAL A 83 -3.032 -3.486 5.888 1.00 44.34 C ATOM 1278 CG1 VAL A 83 -2.140 -4.725 5.783 1.00 32.33 C ATOM 1279 CG2 VAL A 83 -2.910 -2.857 7.273 1.00 71.13 C ATOM 0 H VAL A 83 -4.414 -1.314 5.180 1.00 2.43 H new ATOM 0 HA VAL A 83 -1.633 -2.214 4.831 1.00 70.14 H new ATOM 0 HB VAL A 83 -4.068 -3.794 5.747 1.00 44.34 H new ATOM 0 HG11 VAL A 83 -2.397 -5.427 6.576 1.00 32.33 H new ATOM 0 HG12 VAL A 83 -2.291 -5.201 4.814 1.00 32.33 H new ATOM 0 HG13 VAL A 83 -1.095 -4.431 5.883 1.00 32.33 H new ATOM 0 HG21 VAL A 83 -3.154 -3.600 8.033 1.00 71.13 H new ATOM 0 HG22 VAL A 83 -1.890 -2.505 7.424 1.00 71.13 H new ATOM 0 HG23 VAL A 83 -3.600 -2.017 7.353 1.00 71.13 H new ATOM 1289 N VAL A 84 -2.001 -3.223 2.547 1.00 51.12 N ATOM 1290 CA VAL A 84 -2.188 -3.799 1.204 1.00 15.42 C ATOM 1291 C VAL A 84 -1.221 -4.967 0.943 1.00 75.13 C ATOM 1292 O VAL A 84 -0.258 -5.170 1.686 1.00 71.24 O ATOM 1293 CB VAL A 84 -1.997 -2.728 0.094 1.00 33.40 C ATOM 1294 CG1 VAL A 84 -3.016 -1.597 0.241 1.00 72.54 C ATOM 1295 CG2 VAL A 84 -0.571 -2.176 0.106 1.00 42.34 C ATOM 0 H VAL A 84 -1.044 -2.935 2.750 1.00 51.12 H new ATOM 0 HA VAL A 84 -3.211 -4.173 1.172 1.00 15.42 H new ATOM 0 HB VAL A 84 -2.166 -3.212 -0.868 1.00 33.40 H new ATOM 0 HG11 VAL A 84 -2.860 -0.862 -0.548 1.00 72.54 H new ATOM 0 HG12 VAL A 84 -4.024 -2.003 0.164 1.00 72.54 H new ATOM 0 HG13 VAL A 84 -2.891 -1.119 1.212 1.00 72.54 H new ATOM 0 HG21 VAL A 84 -0.464 -1.429 -0.680 1.00 42.34 H new ATOM 0 HG22 VAL A 84 -0.367 -1.717 1.073 1.00 42.34 H new ATOM 0 HG23 VAL A 84 0.135 -2.988 -0.067 1.00 42.34 H new ATOM 1305 N PHE A 85 -1.482 -5.732 -0.118 1.00 75.41 N ATOM 1306 CA PHE A 85 -0.620 -6.858 -0.496 1.00 72.50 C ATOM 1307 C PHE A 85 0.745 -6.373 -1.011 1.00 41.04 C ATOM 1308 O PHE A 85 0.825 -5.496 -1.874 1.00 42.15 O ATOM 1309 CB PHE A 85 -1.300 -7.725 -1.567 1.00 3.43 C ATOM 1310 CG PHE A 85 -2.520 -8.467 -1.073 1.00 40.15 C ATOM 1311 CD1 PHE A 85 -2.384 -9.619 -0.310 1.00 1.43 C ATOM 1312 CD2 PHE A 85 -3.800 -8.017 -1.372 1.00 44.43 C ATOM 1313 CE1 PHE A 85 -3.496 -10.304 0.144 1.00 52.03 C ATOM 1314 CE2 PHE A 85 -4.915 -8.700 -0.920 1.00 35.21 C ATOM 1315 CZ PHE A 85 -4.763 -9.844 -0.161 1.00 22.44 C ATOM 0 H PHE A 85 -2.284 -5.594 -0.733 1.00 75.41 H new ATOM 0 HA PHE A 85 -0.456 -7.457 0.399 1.00 72.50 H new ATOM 0 HB2 PHE A 85 -1.588 -7.090 -2.405 1.00 3.43 H new ATOM 0 HB3 PHE A 85 -0.578 -8.447 -1.948 1.00 3.43 H new ATOM 0 HD1 PHE A 85 -1.397 -9.985 -0.068 1.00 1.43 H new ATOM 0 HD2 PHE A 85 -3.926 -7.123 -1.965 1.00 44.43 H new ATOM 0 HE1 PHE A 85 -3.374 -11.198 0.737 1.00 52.03 H new ATOM 0 HE2 PHE A 85 -5.904 -8.339 -1.161 1.00 35.21 H new ATOM 0 HZ PHE A 85 -5.632 -10.378 0.193 1.00 22.44 H new ATOM 1325 N ALA A 86 1.816 -6.955 -0.483 1.00 41.43 N ATOM 1326 CA ALA A 86 3.174 -6.581 -0.884 1.00 33.23 C ATOM 1327 C ALA A 86 3.598 -7.280 -2.183 1.00 63.30 C ATOM 1328 O ALA A 86 3.627 -8.510 -2.257 1.00 4.11 O ATOM 1329 CB ALA A 86 4.158 -6.906 0.233 1.00 50.11 C ATOM 0 H ALA A 86 1.774 -7.689 0.224 1.00 41.43 H new ATOM 0 HA ALA A 86 3.180 -5.507 -1.071 1.00 33.23 H new ATOM 0 HB1 ALA A 86 5.165 -6.624 -0.075 1.00 50.11 H new ATOM 0 HB2 ALA A 86 3.885 -6.352 1.131 1.00 50.11 H new ATOM 0 HB3 ALA A 86 4.129 -7.975 0.444 1.00 50.11 H new ATOM 1335 N LYS A 87 3.913 -6.491 -3.204 1.00 22.02 N ATOM 1336 CA LYS A 87 4.440 -7.017 -4.468 1.00 61.43 C ATOM 1337 C LYS A 87 5.664 -6.226 -4.909 1.00 52.15 C ATOM 1338 O LYS A 87 5.864 -5.086 -4.496 1.00 43.35 O ATOM 1339 CB LYS A 87 3.369 -6.992 -5.573 1.00 51.14 C ATOM 1340 CG LYS A 87 2.219 -7.954 -5.363 1.00 53.03 C ATOM 1341 CD LYS A 87 1.265 -7.889 -6.540 1.00 35.43 C ATOM 1342 CE LYS A 87 0.081 -8.810 -6.363 1.00 1.43 C ATOM 1343 NZ LYS A 87 0.458 -10.243 -6.470 1.00 33.43 N ATOM 0 H LYS A 87 3.813 -5.476 -3.185 1.00 22.02 H new ATOM 0 HA LYS A 87 4.731 -8.054 -4.299 1.00 61.43 H new ATOM 0 HB2 LYS A 87 2.969 -5.981 -5.650 1.00 51.14 H new ATOM 0 HB3 LYS A 87 3.845 -7.219 -6.527 1.00 51.14 H new ATOM 0 HG2 LYS A 87 2.600 -8.969 -5.249 1.00 53.03 H new ATOM 0 HG3 LYS A 87 1.691 -7.706 -4.442 1.00 53.03 H new ATOM 0 HD2 LYS A 87 0.912 -6.865 -6.664 1.00 35.43 H new ATOM 0 HD3 LYS A 87 1.798 -8.155 -7.453 1.00 35.43 H new ATOM 0 HE2 LYS A 87 -0.375 -8.629 -5.390 1.00 1.43 H new ATOM 0 HE3 LYS A 87 -0.672 -8.578 -7.116 1.00 1.43 H new ATOM 0 HZ1 LYS A 87 -0.395 -10.833 -6.393 1.00 33.43 H new ATOM 0 HZ2 LYS A 87 0.915 -10.414 -7.388 1.00 33.43 H new ATOM 0 HZ3 LYS A 87 1.118 -10.486 -5.704 1.00 33.43 H new ATOM 1357 N LYS A 88 6.492 -6.844 -5.733 1.00 65.30 N ATOM 1358 CA LYS A 88 7.741 -6.236 -6.154 1.00 63.11 C ATOM 1359 C LYS A 88 7.580 -5.504 -7.495 1.00 12.43 C ATOM 1360 O LYS A 88 6.889 -5.982 -8.394 1.00 22.21 O ATOM 1361 CB LYS A 88 8.820 -7.314 -6.253 1.00 2.34 C ATOM 1362 CG LYS A 88 10.221 -6.744 -6.255 1.00 22.44 C ATOM 1363 CD LYS A 88 11.288 -7.834 -6.306 1.00 71.31 C ATOM 1364 CE LYS A 88 11.226 -8.749 -5.086 1.00 55.32 C ATOM 1365 NZ LYS A 88 12.362 -9.704 -5.055 1.00 31.01 N ATOM 0 H LYS A 88 6.321 -7.770 -6.125 1.00 65.30 H new ATOM 0 HA LYS A 88 8.038 -5.494 -5.412 1.00 63.11 H new ATOM 0 HB2 LYS A 88 8.715 -8.004 -5.416 1.00 2.34 H new ATOM 0 HB3 LYS A 88 8.667 -7.892 -7.164 1.00 2.34 H new ATOM 0 HG2 LYS A 88 10.340 -6.081 -7.112 1.00 22.44 H new ATOM 0 HG3 LYS A 88 10.366 -6.138 -5.361 1.00 22.44 H new ATOM 0 HD2 LYS A 88 11.158 -8.427 -7.211 1.00 71.31 H new ATOM 0 HD3 LYS A 88 12.274 -7.374 -6.365 1.00 71.31 H new ATOM 0 HE2 LYS A 88 11.234 -8.146 -4.178 1.00 55.32 H new ATOM 0 HE3 LYS A 88 10.287 -9.302 -5.094 1.00 55.32 H new ATOM 0 HZ1 LYS A 88 12.015 -10.663 -5.260 1.00 31.01 H new ATOM 0 HZ2 LYS A 88 13.065 -9.430 -5.770 1.00 31.01 H new ATOM 0 HZ3 LYS A 88 12.802 -9.689 -4.113 1.00 31.01 H new ATOM 1379 N GLY A 89 8.222 -4.345 -7.623 1.00 30.14 N ATOM 1380 CA GLY A 89 8.089 -3.544 -8.836 1.00 25.24 C ATOM 1381 C GLY A 89 9.393 -2.893 -9.282 1.00 23.45 C ATOM 1382 O GLY A 89 10.365 -2.844 -8.530 1.00 72.44 O ATOM 0 H GLY A 89 8.832 -3.944 -6.911 1.00 30.14 H new ATOM 0 HA2 GLY A 89 7.715 -4.177 -9.640 1.00 25.24 H new ATOM 0 HA3 GLY A 89 7.343 -2.767 -8.669 1.00 25.24 H new ATOM 1386 N ASP A 90 9.398 -2.370 -10.506 1.00 65.41 N ATOM 1387 CA ASP A 90 10.589 -1.737 -11.090 1.00 65.01 C ATOM 1388 C ASP A 90 10.676 -0.235 -10.738 1.00 25.31 C ATOM 1389 O ASP A 90 11.364 0.541 -11.410 1.00 5.10 O ATOM 1390 CB ASP A 90 10.566 -1.935 -12.610 1.00 44.41 C ATOM 1391 CG ASP A 90 10.626 -3.403 -12.994 1.00 50.11 C ATOM 1392 OD1 ASP A 90 9.627 -4.124 -12.779 1.00 42.20 O ATOM 1393 OD2 ASP A 90 11.673 -3.851 -13.510 1.00 72.32 O ATOM 0 H ASP A 90 8.585 -2.370 -11.121 1.00 65.41 H new ATOM 0 HA ASP A 90 11.475 -2.212 -10.668 1.00 65.01 H new ATOM 0 HB2 ASP A 90 9.659 -1.490 -13.020 1.00 44.41 H new ATOM 0 HB3 ASP A 90 11.409 -1.409 -13.057 1.00 44.41 H new ATOM 1398 N VAL A 91 9.983 0.158 -9.672 1.00 52.51 N ATOM 1399 CA VAL A 91 10.010 1.542 -9.182 1.00 4.43 C ATOM 1400 C VAL A 91 11.348 1.859 -8.482 1.00 63.33 C ATOM 1401 O VAL A 91 12.006 0.958 -7.971 1.00 60.21 O ATOM 1402 CB VAL A 91 8.840 1.793 -8.193 1.00 52.14 C ATOM 1403 CG1 VAL A 91 7.491 1.665 -8.901 1.00 11.04 C ATOM 1404 CG2 VAL A 91 8.916 0.826 -7.012 1.00 53.24 C ATOM 0 H VAL A 91 9.390 -0.465 -9.124 1.00 52.51 H new ATOM 0 HA VAL A 91 9.902 2.198 -10.046 1.00 4.43 H new ATOM 0 HB VAL A 91 8.932 2.811 -7.814 1.00 52.14 H new ATOM 0 HG11 VAL A 91 6.687 1.845 -8.187 1.00 11.04 H new ATOM 0 HG12 VAL A 91 7.432 2.397 -9.707 1.00 11.04 H new ATOM 0 HG13 VAL A 91 7.391 0.661 -9.315 1.00 11.04 H new ATOM 0 HG21 VAL A 91 8.087 1.018 -6.330 1.00 53.24 H new ATOM 0 HG22 VAL A 91 8.855 -0.199 -7.377 1.00 53.24 H new ATOM 0 HG23 VAL A 91 9.860 0.968 -6.485 1.00 53.24 H new ATOM 1414 N PRO A 92 11.776 3.141 -8.455 1.00 23.53 N ATOM 1415 CA PRO A 92 13.036 3.541 -7.787 1.00 32.42 C ATOM 1416 C PRO A 92 13.010 3.297 -6.266 1.00 64.10 C ATOM 1417 O PRO A 92 11.941 3.174 -5.665 1.00 1.41 O ATOM 1418 CB PRO A 92 13.144 5.045 -8.098 1.00 0.40 C ATOM 1419 CG PRO A 92 11.746 5.476 -8.402 1.00 30.02 C ATOM 1420 CD PRO A 92 11.087 4.296 -9.065 1.00 22.41 C ATOM 0 HA PRO A 92 13.885 2.957 -8.143 1.00 32.42 H new ATOM 0 HB2 PRO A 92 13.552 5.595 -7.250 1.00 0.40 H new ATOM 0 HB3 PRO A 92 13.806 5.227 -8.944 1.00 0.40 H new ATOM 0 HG2 PRO A 92 11.217 5.758 -7.492 1.00 30.02 H new ATOM 0 HG3 PRO A 92 11.739 6.347 -9.058 1.00 30.02 H new ATOM 0 HD2 PRO A 92 10.014 4.273 -8.873 1.00 22.41 H new ATOM 0 HD3 PRO A 92 11.217 4.317 -10.147 1.00 22.41 H new ATOM 1428 N LYS A 93 14.192 3.234 -5.642 1.00 74.35 N ATOM 1429 CA LYS A 93 14.279 2.967 -4.201 1.00 71.41 C ATOM 1430 C LYS A 93 13.624 4.094 -3.378 1.00 10.14 C ATOM 1431 O LYS A 93 13.658 5.269 -3.765 1.00 52.44 O ATOM 1432 CB LYS A 93 15.739 2.774 -3.762 1.00 12.33 C ATOM 1433 CG LYS A 93 15.859 2.255 -2.333 1.00 21.21 C ATOM 1434 CD LYS A 93 17.300 2.150 -1.855 1.00 20.32 C ATOM 1435 CE LYS A 93 17.369 1.522 -0.464 1.00 23.13 C ATOM 1436 NZ LYS A 93 16.478 2.211 0.507 1.00 51.43 N ATOM 0 H LYS A 93 15.092 3.362 -6.105 1.00 74.35 H new ATOM 0 HA LYS A 93 13.732 2.043 -4.011 1.00 71.41 H new ATOM 0 HB2 LYS A 93 16.229 2.076 -4.440 1.00 12.33 H new ATOM 0 HB3 LYS A 93 16.268 3.723 -3.845 1.00 12.33 H new ATOM 0 HG2 LYS A 93 15.308 2.917 -1.665 1.00 21.21 H new ATOM 0 HG3 LYS A 93 15.389 1.274 -2.268 1.00 21.21 H new ATOM 0 HD2 LYS A 93 17.878 1.550 -2.558 1.00 20.32 H new ATOM 0 HD3 LYS A 93 17.753 3.141 -1.834 1.00 20.32 H new ATOM 0 HE2 LYS A 93 17.090 0.470 -0.528 1.00 23.13 H new ATOM 0 HE3 LYS A 93 18.396 1.558 -0.101 1.00 23.13 H new ATOM 0 HZ1 LYS A 93 16.924 2.213 1.446 1.00 51.43 H new ATOM 0 HZ2 LYS A 93 16.319 3.191 0.197 1.00 51.43 H new ATOM 0 HZ3 LYS A 93 15.567 1.711 0.557 1.00 51.43 H new ATOM 1450 N GLY A 94 13.038 3.733 -2.235 1.00 54.54 N ATOM 1451 CA GLY A 94 12.296 4.699 -1.433 1.00 43.11 C ATOM 1452 C GLY A 94 11.044 5.207 -2.143 1.00 33.35 C ATOM 1453 O GLY A 94 10.659 6.370 -1.995 1.00 61.24 O ATOM 0 H GLY A 94 13.064 2.789 -1.850 1.00 54.54 H new ATOM 0 HA2 GLY A 94 12.012 4.239 -0.486 1.00 43.11 H new ATOM 0 HA3 GLY A 94 12.943 5.543 -1.196 1.00 43.11 H new ATOM 1457 N MET A 95 10.404 4.333 -2.919 1.00 75.31 N ATOM 1458 CA MET A 95 9.225 4.697 -3.697 1.00 63.14 C ATOM 1459 C MET A 95 8.395 3.446 -4.036 1.00 35.00 C ATOM 1460 O MET A 95 8.949 2.407 -4.385 1.00 34.54 O ATOM 1461 CB MET A 95 9.687 5.413 -4.970 1.00 31.21 C ATOM 1462 CG MET A 95 8.575 6.060 -5.768 1.00 45.44 C ATOM 1463 SD MET A 95 9.222 7.161 -7.044 1.00 54.21 S ATOM 1464 CE MET A 95 7.725 7.931 -7.651 1.00 42.03 C ATOM 0 H MET A 95 10.688 3.359 -3.024 1.00 75.31 H new ATOM 0 HA MET A 95 8.586 5.363 -3.117 1.00 63.14 H new ATOM 0 HB2 MET A 95 10.413 6.178 -4.697 1.00 31.21 H new ATOM 0 HB3 MET A 95 10.204 4.696 -5.607 1.00 31.21 H new ATOM 0 HG2 MET A 95 7.962 5.287 -6.231 1.00 45.44 H new ATOM 0 HG3 MET A 95 7.925 6.622 -5.097 1.00 45.44 H new ATOM 0 HE1 MET A 95 7.867 9.010 -7.704 1.00 42.03 H new ATOM 0 HE2 MET A 95 7.495 7.546 -8.644 1.00 42.03 H new ATOM 0 HE3 MET A 95 6.900 7.707 -6.975 1.00 42.03 H new ATOM 1474 N ILE A 96 7.068 3.540 -3.915 1.00 20.22 N ATOM 1475 CA ILE A 96 6.183 2.396 -4.199 1.00 61.34 C ATOM 1476 C ILE A 96 4.972 2.812 -5.050 1.00 41.21 C ATOM 1477 O ILE A 96 4.432 3.906 -4.893 1.00 53.22 O ATOM 1478 CB ILE A 96 5.674 1.706 -2.900 1.00 1.14 C ATOM 1479 CG1 ILE A 96 4.852 2.685 -2.043 1.00 33.12 C ATOM 1480 CG2 ILE A 96 6.845 1.135 -2.096 1.00 3.00 C ATOM 1481 CD1 ILE A 96 4.233 2.052 -0.810 1.00 40.32 C ATOM 0 H ILE A 96 6.581 4.388 -3.625 1.00 20.22 H new ATOM 0 HA ILE A 96 6.790 1.684 -4.758 1.00 61.34 H new ATOM 0 HB ILE A 96 5.023 0.881 -3.189 1.00 1.14 H new ATOM 0 HG12 ILE A 96 5.495 3.509 -1.733 1.00 33.12 H new ATOM 0 HG13 ILE A 96 4.059 3.113 -2.657 1.00 33.12 H new ATOM 0 HG21 ILE A 96 6.467 0.657 -1.192 1.00 3.00 H new ATOM 0 HG22 ILE A 96 7.377 0.400 -2.700 1.00 3.00 H new ATOM 0 HG23 ILE A 96 7.526 1.941 -1.823 1.00 3.00 H new ATOM 0 HD11 ILE A 96 3.670 2.805 -0.258 1.00 40.32 H new ATOM 0 HD12 ILE A 96 3.563 1.247 -1.112 1.00 40.32 H new ATOM 0 HD13 ILE A 96 5.021 1.649 -0.173 1.00 40.32 H new ATOM 1493 N PHE A 97 4.549 1.929 -5.948 1.00 35.33 N ATOM 1494 CA PHE A 97 3.407 2.207 -6.828 1.00 32.24 C ATOM 1495 C PHE A 97 2.135 1.489 -6.356 1.00 13.12 C ATOM 1496 O PHE A 97 2.142 0.280 -6.134 1.00 65.32 O ATOM 1497 CB PHE A 97 3.727 1.783 -8.271 1.00 52.55 C ATOM 1498 CG PHE A 97 2.572 1.973 -9.230 1.00 24.21 C ATOM 1499 CD1 PHE A 97 2.352 3.200 -9.839 1.00 2.21 C ATOM 1500 CD2 PHE A 97 1.700 0.925 -9.510 1.00 43.22 C ATOM 1501 CE1 PHE A 97 1.293 3.377 -10.709 1.00 52.03 C ATOM 1502 CE2 PHE A 97 0.639 1.100 -10.378 1.00 4.13 C ATOM 1503 CZ PHE A 97 0.435 2.326 -10.978 1.00 74.14 C ATOM 0 H PHE A 97 4.976 1.014 -6.090 1.00 35.33 H new ATOM 0 HA PHE A 97 3.226 3.281 -6.792 1.00 32.24 H new ATOM 0 HB2 PHE A 97 4.582 2.357 -8.628 1.00 52.55 H new ATOM 0 HB3 PHE A 97 4.023 0.734 -8.275 1.00 52.55 H new ATOM 0 HD1 PHE A 97 3.016 4.026 -9.631 1.00 2.21 H new ATOM 0 HD2 PHE A 97 1.854 -0.037 -9.043 1.00 43.22 H new ATOM 0 HE1 PHE A 97 1.135 4.336 -11.179 1.00 52.03 H new ATOM 0 HE2 PHE A 97 -0.030 0.278 -10.587 1.00 4.13 H new ATOM 0 HZ PHE A 97 -0.394 2.465 -11.657 1.00 74.14 H new ATOM 1513 N ILE A 98 1.043 2.237 -6.215 1.00 3.41 N ATOM 1514 CA ILE A 98 -0.267 1.646 -5.924 1.00 23.31 C ATOM 1515 C ILE A 98 -1.303 2.084 -6.977 1.00 13.15 C ATOM 1516 O ILE A 98 -1.363 3.255 -7.354 1.00 15.42 O ATOM 1517 CB ILE A 98 -0.771 2.034 -4.505 1.00 53.42 C ATOM 1518 CG1 ILE A 98 0.221 1.546 -3.434 1.00 34.55 C ATOM 1519 CG2 ILE A 98 -2.169 1.462 -4.247 1.00 74.10 C ATOM 1520 CD1 ILE A 98 -0.230 1.798 -2.011 1.00 13.41 C ATOM 0 H ILE A 98 1.036 3.254 -6.297 1.00 3.41 H new ATOM 0 HA ILE A 98 -0.148 0.563 -5.959 1.00 23.31 H new ATOM 0 HB ILE A 98 -0.836 3.121 -4.449 1.00 53.42 H new ATOM 0 HG12 ILE A 98 0.386 0.477 -3.567 1.00 34.55 H new ATOM 0 HG13 ILE A 98 1.181 2.038 -3.592 1.00 34.55 H new ATOM 0 HG21 ILE A 98 -2.500 1.747 -3.248 1.00 74.10 H new ATOM 0 HG22 ILE A 98 -2.866 1.857 -4.986 1.00 74.10 H new ATOM 0 HG23 ILE A 98 -2.137 0.375 -4.322 1.00 74.10 H new ATOM 0 HD11 ILE A 98 0.525 1.425 -1.319 1.00 13.41 H new ATOM 0 HD12 ILE A 98 -0.366 2.868 -1.857 1.00 13.41 H new ATOM 0 HD13 ILE A 98 -1.173 1.282 -1.832 1.00 13.41 H new ATOM 1532 N PRO A 99 -2.102 1.142 -7.509 1.00 12.31 N ATOM 1533 CA PRO A 99 -3.216 1.476 -8.414 1.00 21.11 C ATOM 1534 C PRO A 99 -4.252 2.406 -7.747 1.00 53.54 C ATOM 1535 O PRO A 99 -4.709 2.145 -6.631 1.00 34.41 O ATOM 1536 CB PRO A 99 -3.829 0.104 -8.746 1.00 21.23 C ATOM 1537 CG PRO A 99 -2.736 -0.874 -8.474 1.00 42.42 C ATOM 1538 CD PRO A 99 -1.967 -0.311 -7.313 1.00 32.44 C ATOM 0 HA PRO A 99 -2.883 2.024 -9.296 1.00 21.11 H new ATOM 0 HB2 PRO A 99 -4.704 -0.099 -8.129 1.00 21.23 H new ATOM 0 HB3 PRO A 99 -4.154 0.056 -9.785 1.00 21.23 H new ATOM 0 HG2 PRO A 99 -3.141 -1.857 -8.235 1.00 42.42 H new ATOM 0 HG3 PRO A 99 -2.094 -0.997 -9.346 1.00 42.42 H new ATOM 0 HD2 PRO A 99 -2.384 -0.631 -6.358 1.00 32.44 H new ATOM 0 HD3 PRO A 99 -0.924 -0.626 -7.327 1.00 32.44 H new ATOM 1546 N MET A 100 -4.607 3.493 -8.436 1.00 15.32 N ATOM 1547 CA MET A 100 -5.523 4.508 -7.899 1.00 51.11 C ATOM 1548 C MET A 100 -6.853 3.878 -7.437 1.00 50.52 C ATOM 1549 O MET A 100 -7.690 3.494 -8.257 1.00 31.11 O ATOM 1550 CB MET A 100 -5.783 5.580 -8.973 1.00 34.02 C ATOM 1551 CG MET A 100 -6.267 6.933 -8.447 1.00 4.10 C ATOM 1552 SD MET A 100 -7.779 6.835 -7.465 1.00 2.11 S ATOM 1553 CE MET A 100 -7.118 6.814 -5.799 1.00 13.14 C ATOM 0 H MET A 100 -4.271 3.696 -9.377 1.00 15.32 H new ATOM 0 HA MET A 100 -5.058 4.968 -7.027 1.00 51.11 H new ATOM 0 HB2 MET A 100 -4.863 5.736 -9.536 1.00 34.02 H new ATOM 0 HB3 MET A 100 -6.524 5.196 -9.674 1.00 34.02 H new ATOM 0 HG2 MET A 100 -5.479 7.379 -7.840 1.00 4.10 H new ATOM 0 HG3 MET A 100 -6.436 7.601 -9.291 1.00 4.10 H new ATOM 0 HE1 MET A 100 -7.588 6.011 -5.231 1.00 13.14 H new ATOM 0 HE2 MET A 100 -6.041 6.650 -5.837 1.00 13.14 H new ATOM 0 HE3 MET A 100 -7.323 7.769 -5.314 1.00 13.14 H new ATOM 1563 N GLY A 101 -7.038 3.775 -6.121 1.00 43.11 N ATOM 1564 CA GLY A 101 -8.260 3.184 -5.578 1.00 25.15 C ATOM 1565 C GLY A 101 -8.496 3.546 -4.114 1.00 24.23 C ATOM 1566 O GLY A 101 -7.763 4.360 -3.557 1.00 43.43 O ATOM 0 H GLY A 101 -6.367 4.089 -5.420 1.00 43.11 H new ATOM 0 HA2 GLY A 101 -9.112 3.516 -6.171 1.00 25.15 H new ATOM 0 HA3 GLY A 101 -8.207 2.100 -5.675 1.00 25.15 H new ATOM 1570 N PRO A 102 -9.506 2.941 -3.454 1.00 23.43 N ATOM 1571 CA PRO A 102 -9.833 3.228 -2.039 1.00 42.01 C ATOM 1572 C PRO A 102 -8.638 2.998 -1.095 1.00 64.21 C ATOM 1573 O PRO A 102 -8.433 3.747 -0.139 1.00 54.13 O ATOM 1574 CB PRO A 102 -10.981 2.245 -1.723 1.00 70.33 C ATOM 1575 CG PRO A 102 -10.937 1.223 -2.813 1.00 2.42 C ATOM 1576 CD PRO A 102 -10.406 1.931 -4.028 1.00 11.55 C ATOM 0 HA PRO A 102 -10.103 4.274 -1.891 1.00 42.01 H new ATOM 0 HB2 PRO A 102 -10.845 1.783 -0.745 1.00 70.33 H new ATOM 0 HB3 PRO A 102 -11.943 2.757 -1.703 1.00 70.33 H new ATOM 0 HG2 PRO A 102 -10.294 0.387 -2.537 1.00 2.42 H new ATOM 0 HG3 PRO A 102 -11.929 0.813 -3.003 1.00 2.42 H new ATOM 0 HD2 PRO A 102 -9.876 1.249 -4.693 1.00 11.55 H new ATOM 0 HD3 PRO A 102 -11.206 2.388 -4.611 1.00 11.55 H new ATOM 1584 N TYR A 103 -7.852 1.962 -1.382 1.00 45.32 N ATOM 1585 CA TYR A 103 -6.642 1.657 -0.613 1.00 40.10 C ATOM 1586 C TYR A 103 -5.647 2.824 -0.680 1.00 2.02 C ATOM 1587 O TYR A 103 -5.195 3.331 0.346 1.00 24.14 O ATOM 1588 CB TYR A 103 -6.001 0.368 -1.144 1.00 51.35 C ATOM 1589 CG TYR A 103 -6.892 -0.852 -0.997 1.00 73.40 C ATOM 1590 CD1 TYR A 103 -7.999 -1.035 -1.821 1.00 22.44 C ATOM 1591 CD2 TYR A 103 -6.635 -1.814 -0.027 1.00 55.42 C ATOM 1592 CE1 TYR A 103 -8.820 -2.136 -1.680 1.00 41.11 C ATOM 1593 CE2 TYR A 103 -7.453 -2.915 0.119 1.00 62.05 C ATOM 1594 CZ TYR A 103 -8.544 -3.072 -0.708 1.00 60.13 C ATOM 1595 OH TYR A 103 -9.362 -4.169 -0.565 1.00 1.13 O ATOM 0 H TYR A 103 -8.032 1.313 -2.148 1.00 45.32 H new ATOM 0 HA TYR A 103 -6.917 1.510 0.432 1.00 40.10 H new ATOM 0 HB2 TYR A 103 -5.751 0.502 -2.197 1.00 51.35 H new ATOM 0 HB3 TYR A 103 -5.065 0.191 -0.614 1.00 51.35 H new ATOM 0 HD1 TYR A 103 -8.219 -0.303 -2.584 1.00 22.44 H new ATOM 0 HD2 TYR A 103 -5.781 -1.697 0.623 1.00 55.42 H new ATOM 0 HE1 TYR A 103 -9.674 -2.263 -2.329 1.00 41.11 H new ATOM 0 HE2 TYR A 103 -7.239 -3.652 0.879 1.00 62.05 H new ATOM 0 HH TYR A 103 -9.110 -4.853 -1.220 1.00 1.13 H new ATOM 1605 N ALA A 104 -5.326 3.256 -1.899 1.00 3.53 N ATOM 1606 CA ALA A 104 -4.465 4.425 -2.103 1.00 2.52 C ATOM 1607 C ALA A 104 -5.098 5.688 -1.492 1.00 4.12 C ATOM 1608 O ALA A 104 -4.417 6.496 -0.870 1.00 75.21 O ATOM 1609 CB ALA A 104 -4.192 4.624 -3.592 1.00 54.55 C ATOM 0 H ALA A 104 -5.648 2.816 -2.761 1.00 3.53 H new ATOM 0 HA ALA A 104 -3.517 4.247 -1.595 1.00 2.52 H new ATOM 0 HB1 ALA A 104 -3.552 5.495 -3.731 1.00 54.55 H new ATOM 0 HB2 ALA A 104 -3.695 3.740 -3.992 1.00 54.55 H new ATOM 0 HB3 ALA A 104 -5.134 4.779 -4.117 1.00 54.55 H new ATOM 1615 N ASN A 105 -6.415 5.826 -1.657 1.00 74.14 N ATOM 1616 CA ASN A 105 -7.179 6.962 -1.114 1.00 1.31 C ATOM 1617 C ASN A 105 -6.923 7.168 0.391 1.00 72.34 C ATOM 1618 O ASN A 105 -7.051 8.280 0.905 1.00 14.30 O ATOM 1619 CB ASN A 105 -8.676 6.737 -1.378 1.00 5.14 C ATOM 1620 CG ASN A 105 -9.575 7.679 -0.595 1.00 51.15 C ATOM 1621 OD1 ASN A 105 -9.898 8.773 -1.041 1.00 52.33 O ATOM 1622 ND2 ASN A 105 -9.997 7.250 0.577 1.00 60.51 N ATOM 0 H ASN A 105 -6.987 5.155 -2.171 1.00 74.14 H new ATOM 0 HA ASN A 105 -6.845 7.868 -1.619 1.00 1.31 H new ATOM 0 HB2 ASN A 105 -8.872 6.861 -2.443 1.00 5.14 H new ATOM 0 HB3 ASN A 105 -8.931 5.708 -1.124 1.00 5.14 H new ATOM 0 HD21 ASN A 105 -10.612 7.835 1.143 1.00 60.51 H new ATOM 0 HD22 ASN A 105 -9.709 6.333 0.919 1.00 60.51 H new ATOM 1629 N MET A 106 -6.560 6.093 1.085 1.00 72.14 N ATOM 1630 CA MET A 106 -6.268 6.155 2.523 1.00 43.15 C ATOM 1631 C MET A 106 -5.004 6.975 2.816 1.00 64.05 C ATOM 1632 O MET A 106 -4.903 7.626 3.856 1.00 30.22 O ATOM 1633 CB MET A 106 -6.088 4.740 3.079 1.00 64.30 C ATOM 1634 CG MET A 106 -7.320 3.870 2.922 1.00 43.13 C ATOM 1635 SD MET A 106 -8.669 4.391 3.995 1.00 52.12 S ATOM 1636 CE MET A 106 -8.047 3.873 5.593 1.00 13.11 C ATOM 0 H MET A 106 -6.459 5.163 0.678 1.00 72.14 H new ATOM 0 HA MET A 106 -7.112 6.647 3.006 1.00 43.15 H new ATOM 0 HB2 MET A 106 -5.249 4.263 2.573 1.00 64.30 H new ATOM 0 HB3 MET A 106 -5.829 4.803 4.136 1.00 64.30 H new ATOM 0 HG2 MET A 106 -7.653 3.899 1.884 1.00 43.13 H new ATOM 0 HG3 MET A 106 -7.061 2.835 3.145 1.00 43.13 H new ATOM 0 HE1 MET A 106 -8.870 3.827 6.306 1.00 13.11 H new ATOM 0 HE2 MET A 106 -7.589 2.888 5.503 1.00 13.11 H new ATOM 0 HE3 MET A 106 -7.303 4.589 5.943 1.00 13.11 H new ATOM 1646 N VAL A 107 -4.048 6.943 1.887 1.00 42.24 N ATOM 1647 CA VAL A 107 -2.722 7.532 2.113 1.00 31.11 C ATOM 1648 C VAL A 107 -2.386 8.653 1.113 1.00 41.11 C ATOM 1649 O VAL A 107 -1.437 9.408 1.320 1.00 64.13 O ATOM 1650 CB VAL A 107 -1.621 6.442 2.047 1.00 12.40 C ATOM 1651 CG1 VAL A 107 -1.802 5.423 3.169 1.00 70.44 C ATOM 1652 CG2 VAL A 107 -1.617 5.750 0.683 1.00 71.31 C ATOM 0 H VAL A 107 -4.165 6.515 0.968 1.00 42.24 H new ATOM 0 HA VAL A 107 -2.752 7.974 3.109 1.00 31.11 H new ATOM 0 HB VAL A 107 -0.655 6.930 2.180 1.00 12.40 H new ATOM 0 HG11 VAL A 107 -1.019 4.667 3.104 1.00 70.44 H new ATOM 0 HG12 VAL A 107 -1.740 5.928 4.133 1.00 70.44 H new ATOM 0 HG13 VAL A 107 -2.777 4.945 3.072 1.00 70.44 H new ATOM 0 HG21 VAL A 107 -0.836 4.990 0.663 1.00 71.31 H new ATOM 0 HG22 VAL A 107 -2.585 5.280 0.511 1.00 71.31 H new ATOM 0 HG23 VAL A 107 -1.427 6.486 -0.098 1.00 71.31 H new ATOM 1662 N ILE A 108 -3.154 8.767 0.035 1.00 52.32 N ATOM 1663 CA ILE A 108 -2.897 9.799 -0.978 1.00 31.32 C ATOM 1664 C ILE A 108 -3.847 11.000 -0.823 1.00 32.04 C ATOM 1665 O ILE A 108 -4.694 11.031 0.071 1.00 1.45 O ATOM 1666 CB ILE A 108 -3.037 9.244 -2.414 1.00 41.10 C ATOM 1667 CG1 ILE A 108 -4.509 9.059 -2.785 1.00 24.52 C ATOM 1668 CG2 ILE A 108 -2.279 7.924 -2.572 1.00 13.51 C ATOM 1669 CD1 ILE A 108 -4.702 8.854 -4.260 1.00 13.21 C ATOM 0 H ILE A 108 -3.954 8.166 -0.164 1.00 52.32 H new ATOM 0 HA ILE A 108 -1.870 10.126 -0.817 1.00 31.32 H new ATOM 0 HB ILE A 108 -2.597 9.973 -3.095 1.00 41.10 H new ATOM 0 HG12 ILE A 108 -4.913 8.202 -2.245 1.00 24.52 H new ATOM 0 HG13 ILE A 108 -5.075 9.934 -2.465 1.00 24.52 H new ATOM 0 HG21 ILE A 108 -2.395 7.557 -3.592 1.00 13.51 H new ATOM 0 HG22 ILE A 108 -1.221 8.084 -2.363 1.00 13.51 H new ATOM 0 HG23 ILE A 108 -2.680 7.189 -1.874 1.00 13.51 H new ATOM 0 HD11 ILE A 108 -5.763 8.727 -4.474 1.00 13.21 H new ATOM 0 HD12 ILE A 108 -4.324 9.722 -4.800 1.00 13.21 H new ATOM 0 HD13 ILE A 108 -4.159 7.964 -4.578 1.00 13.21 H new ATOM 1681 N ASP A 109 -3.695 11.986 -1.705 1.00 73.41 N ATOM 1682 CA ASP A 109 -4.608 13.130 -1.761 1.00 51.23 C ATOM 1683 C ASP A 109 -5.668 12.925 -2.861 1.00 32.30 C ATOM 1684 O ASP A 109 -5.338 12.851 -4.045 1.00 75.12 O ATOM 1685 CB ASP A 109 -3.825 14.422 -2.018 1.00 43.53 C ATOM 1686 CG ASP A 109 -4.740 15.629 -2.133 1.00 12.14 C ATOM 1687 OD1 ASP A 109 -5.187 16.148 -1.089 1.00 31.11 O ATOM 1688 OD2 ASP A 109 -5.041 16.046 -3.269 1.00 74.25 O ATOM 0 H ASP A 109 -2.944 12.017 -2.395 1.00 73.41 H new ATOM 0 HA ASP A 109 -5.117 13.211 -0.800 1.00 51.23 H new ATOM 0 HB2 ASP A 109 -3.114 14.582 -1.208 1.00 43.53 H new ATOM 0 HB3 ASP A 109 -3.245 14.318 -2.935 1.00 43.53 H new ATOM 1862 N GLY A 122 4.001 10.635 -7.113 1.00 71.51 N ATOM 1863 CA GLY A 122 3.071 10.115 -6.123 1.00 61.12 C ATOM 1864 C GLY A 122 3.132 10.853 -4.787 1.00 73.43 C ATOM 1865 O GLY A 122 3.909 11.794 -4.616 1.00 2.42 O ATOM 0 HA2 GLY A 122 2.057 10.179 -6.519 1.00 61.12 H new ATOM 0 HA3 GLY A 122 3.282 9.059 -5.956 1.00 61.12 H new ATOM 1869 N VAL A 123 2.305 10.425 -3.838 1.00 22.42 N ATOM 1870 CA VAL A 123 2.276 11.037 -2.494 1.00 5.34 C ATOM 1871 C VAL A 123 3.325 10.413 -1.554 1.00 24.33 C ATOM 1872 O VAL A 123 3.328 9.208 -1.324 1.00 11.03 O ATOM 1873 CB VAL A 123 0.875 10.905 -1.843 1.00 22.11 C ATOM 1874 CG1 VAL A 123 0.863 11.481 -0.422 1.00 33.11 C ATOM 1875 CG2 VAL A 123 -0.181 11.583 -2.714 1.00 10.23 C ATOM 0 H VAL A 123 1.644 9.659 -3.965 1.00 22.42 H new ATOM 0 HA VAL A 123 2.513 12.092 -2.634 1.00 5.34 H new ATOM 0 HB VAL A 123 0.635 9.844 -1.769 1.00 22.11 H new ATOM 0 HG11 VAL A 123 -0.134 11.373 0.006 1.00 33.11 H new ATOM 0 HG12 VAL A 123 1.583 10.943 0.195 1.00 33.11 H new ATOM 0 HG13 VAL A 123 1.131 12.537 -0.455 1.00 33.11 H new ATOM 0 HG21 VAL A 123 -1.159 11.482 -2.244 1.00 10.23 H new ATOM 0 HG22 VAL A 123 0.062 12.640 -2.824 1.00 10.23 H new ATOM 0 HG23 VAL A 123 -0.200 11.111 -3.696 1.00 10.23 H new ATOM 1885 N LYS A 124 4.203 11.248 -0.999 1.00 42.10 N ATOM 1886 CA LYS A 124 5.251 10.790 -0.070 1.00 20.24 C ATOM 1887 C LYS A 124 4.664 10.148 1.199 1.00 34.53 C ATOM 1888 O LYS A 124 3.597 10.535 1.674 1.00 70.42 O ATOM 1889 CB LYS A 124 6.162 11.966 0.317 1.00 31.14 C ATOM 1890 CG LYS A 124 7.120 12.400 -0.790 1.00 61.42 C ATOM 1891 CD LYS A 124 8.400 11.561 -0.811 1.00 13.23 C ATOM 1892 CE LYS A 124 9.195 11.706 0.486 1.00 61.22 C ATOM 1893 NZ LYS A 124 10.525 11.045 0.407 1.00 74.15 N ATOM 0 H LYS A 124 4.214 12.253 -1.174 1.00 42.10 H new ATOM 0 HA LYS A 124 5.831 10.026 -0.587 1.00 20.24 H new ATOM 0 HB2 LYS A 124 5.541 12.816 0.600 1.00 31.14 H new ATOM 0 HB3 LYS A 124 6.742 11.689 1.197 1.00 31.14 H new ATOM 0 HG2 LYS A 124 6.619 12.318 -1.754 1.00 61.42 H new ATOM 0 HG3 LYS A 124 7.378 13.450 -0.653 1.00 61.42 H new ATOM 0 HD2 LYS A 124 8.145 10.513 -0.966 1.00 13.23 H new ATOM 0 HD3 LYS A 124 9.021 11.866 -1.654 1.00 13.23 H new ATOM 0 HE2 LYS A 124 9.330 12.764 0.711 1.00 61.22 H new ATOM 0 HE3 LYS A 124 8.625 11.275 1.309 1.00 61.22 H new ATOM 0 HZ1 LYS A 124 10.927 10.959 1.362 1.00 74.15 H new ATOM 0 HZ2 LYS A 124 10.418 10.098 -0.010 1.00 74.15 H new ATOM 0 HZ3 LYS A 124 11.161 11.615 -0.187 1.00 74.15 H new ATOM 1907 N GLY A 125 5.386 9.176 1.746 1.00 61.41 N ATOM 1908 CA GLY A 125 4.933 8.475 2.944 1.00 24.32 C ATOM 1909 C GLY A 125 5.917 7.414 3.428 1.00 61.52 C ATOM 1910 O GLY A 125 7.124 7.530 3.214 1.00 44.30 O ATOM 0 H GLY A 125 6.283 8.856 1.382 1.00 61.41 H new ATOM 0 HA2 GLY A 125 4.769 9.200 3.741 1.00 24.32 H new ATOM 0 HA3 GLY A 125 3.972 8.003 2.740 1.00 24.32 H new ATOM 1914 N THR A 126 5.404 6.375 4.084 1.00 11.23 N ATOM 1915 CA THR A 126 6.246 5.294 4.623 1.00 43.43 C ATOM 1916 C THR A 126 5.590 3.917 4.445 1.00 61.04 C ATOM 1917 O THR A 126 4.379 3.813 4.244 1.00 4.03 O ATOM 1918 CB THR A 126 6.548 5.497 6.132 1.00 51.35 C ATOM 1919 OG1 THR A 126 5.322 5.609 6.870 1.00 70.22 O ATOM 1920 CG2 THR A 126 7.402 6.739 6.372 1.00 1.30 C ATOM 0 H THR A 126 4.406 6.253 4.259 1.00 11.23 H new ATOM 0 HA THR A 126 7.176 5.331 4.056 1.00 43.43 H new ATOM 0 HB THR A 126 7.107 4.627 6.476 1.00 51.35 H new ATOM 0 HG1 THR A 126 4.625 5.984 6.292 1.00 70.22 H new ATOM 0 HG21 THR A 126 7.593 6.849 7.440 1.00 1.30 H new ATOM 0 HG22 THR A 126 8.349 6.637 5.843 1.00 1.30 H new ATOM 0 HG23 THR A 126 6.874 7.620 6.006 1.00 1.30 H new ATOM 1928 N VAL A 127 6.403 2.865 4.516 1.00 60.22 N ATOM 1929 CA VAL A 127 5.911 1.486 4.416 1.00 24.04 C ATOM 1930 C VAL A 127 6.681 0.554 5.375 1.00 45.41 C ATOM 1931 O VAL A 127 7.877 0.744 5.610 1.00 51.21 O ATOM 1932 CB VAL A 127 6.026 0.951 2.962 1.00 25.21 C ATOM 1933 CG1 VAL A 127 7.488 0.854 2.526 1.00 41.15 C ATOM 1934 CG2 VAL A 127 5.322 -0.398 2.819 1.00 50.01 C ATOM 0 H VAL A 127 7.412 2.939 4.643 1.00 60.22 H new ATOM 0 HA VAL A 127 4.859 1.496 4.701 1.00 24.04 H new ATOM 0 HB VAL A 127 5.528 1.662 2.303 1.00 25.21 H new ATOM 0 HG11 VAL A 127 7.539 0.477 1.505 1.00 41.15 H new ATOM 0 HG12 VAL A 127 7.948 1.841 2.572 1.00 41.15 H new ATOM 0 HG13 VAL A 127 8.022 0.175 3.191 1.00 41.15 H new ATOM 0 HG21 VAL A 127 5.417 -0.751 1.792 1.00 50.01 H new ATOM 0 HG22 VAL A 127 5.779 -1.121 3.495 1.00 50.01 H new ATOM 0 HG23 VAL A 127 4.267 -0.286 3.068 1.00 50.01 H new ATOM 1944 N GLU A 128 5.993 -0.442 5.937 1.00 63.31 N ATOM 1945 CA GLU A 128 6.620 -1.378 6.885 1.00 53.43 C ATOM 1946 C GLU A 128 5.959 -2.772 6.863 1.00 73.44 C ATOM 1947 O GLU A 128 4.797 -2.920 6.480 1.00 1.01 O ATOM 1948 CB GLU A 128 6.556 -0.791 8.305 1.00 52.41 C ATOM 1949 CG GLU A 128 5.150 -0.370 8.732 1.00 24.20 C ATOM 1950 CD GLU A 128 5.090 0.183 10.150 1.00 30.21 C ATOM 1951 OE1 GLU A 128 5.320 -0.586 11.104 1.00 72.25 O ATOM 1952 OE2 GLU A 128 4.784 1.382 10.322 1.00 14.53 O ATOM 0 H GLU A 128 5.006 -0.625 5.756 1.00 63.31 H new ATOM 0 HA GLU A 128 7.657 -1.510 6.578 1.00 53.43 H new ATOM 0 HB2 GLU A 128 6.935 -1.529 9.011 1.00 52.41 H new ATOM 0 HB3 GLU A 128 7.218 0.073 8.362 1.00 52.41 H new ATOM 0 HG2 GLU A 128 4.778 0.385 8.039 1.00 24.20 H new ATOM 0 HG3 GLU A 128 4.483 -1.228 8.656 1.00 24.20 H new ATOM 1959 N LYS A 129 6.719 -3.793 7.269 1.00 3.22 N ATOM 1960 CA LYS A 129 6.194 -5.161 7.405 1.00 22.32 C ATOM 1961 C LYS A 129 5.273 -5.277 8.631 1.00 1.32 C ATOM 1962 O LYS A 129 5.678 -4.975 9.753 1.00 25.33 O ATOM 1963 CB LYS A 129 7.359 -6.169 7.518 1.00 20.12 C ATOM 1964 CG LYS A 129 6.955 -7.565 8.015 1.00 3.40 C ATOM 1965 CD LYS A 129 6.000 -8.283 7.054 1.00 41.45 C ATOM 1966 CE LYS A 129 6.722 -8.877 5.847 1.00 35.44 C ATOM 1967 NZ LYS A 129 7.532 -10.076 6.199 1.00 74.24 N ATOM 0 H LYS A 129 7.705 -3.700 7.511 1.00 3.22 H new ATOM 0 HA LYS A 129 5.608 -5.392 6.515 1.00 22.32 H new ATOM 0 HB2 LYS A 129 7.831 -6.269 6.541 1.00 20.12 H new ATOM 0 HB3 LYS A 129 8.110 -5.761 8.194 1.00 20.12 H new ATOM 0 HG2 LYS A 129 7.851 -8.171 8.150 1.00 3.40 H new ATOM 0 HG3 LYS A 129 6.480 -7.475 8.992 1.00 3.40 H new ATOM 0 HD2 LYS A 129 5.480 -9.077 7.590 1.00 41.45 H new ATOM 0 HD3 LYS A 129 5.241 -7.581 6.710 1.00 41.45 H new ATOM 0 HE2 LYS A 129 5.989 -9.148 5.087 1.00 35.44 H new ATOM 0 HE3 LYS A 129 7.372 -8.120 5.408 1.00 35.44 H new ATOM 0 HZ1 LYS A 129 8.537 -9.882 6.016 1.00 74.24 H new ATOM 0 HZ2 LYS A 129 7.400 -10.301 7.206 1.00 74.24 H new ATOM 0 HZ3 LYS A 129 7.225 -10.884 5.621 1.00 74.24 H new ATOM 1981 N THR A 130 4.039 -5.723 8.412 1.00 50.21 N ATOM 1982 CA THR A 130 3.070 -5.894 9.504 1.00 21.11 C ATOM 1983 C THR A 130 2.419 -7.279 9.470 1.00 61.14 C ATOM 1984 O THR A 130 2.319 -7.910 8.415 1.00 60.40 O ATOM 1985 CB THR A 130 1.952 -4.823 9.458 1.00 1.11 C ATOM 1986 OG1 THR A 130 1.015 -5.044 10.526 1.00 34.23 O ATOM 1987 CG2 THR A 130 1.214 -4.844 8.121 1.00 2.44 C ATOM 0 H THR A 130 3.681 -5.974 7.490 1.00 50.21 H new ATOM 0 HA THR A 130 3.637 -5.781 10.428 1.00 21.11 H new ATOM 0 HB THR A 130 2.422 -3.846 9.575 1.00 1.11 H new ATOM 0 HG1 THR A 130 0.312 -4.362 10.491 1.00 34.23 H new ATOM 0 HG21 THR A 130 0.436 -4.080 8.123 1.00 2.44 H new ATOM 0 HG22 THR A 130 1.918 -4.643 7.314 1.00 2.44 H new ATOM 0 HG23 THR A 130 0.760 -5.824 7.971 1.00 2.44 H new ATOM 1995 N ASP A 131 1.973 -7.744 10.634 1.00 11.30 N ATOM 1996 CA ASP A 131 1.263 -9.022 10.742 1.00 3.12 C ATOM 1997 C ASP A 131 -0.226 -8.853 10.396 1.00 41.00 C ATOM 1998 O ASP A 131 -0.940 -9.835 10.188 1.00 32.30 O ATOM 1999 CB ASP A 131 1.417 -9.589 12.162 1.00 23.52 C ATOM 2000 CG ASP A 131 0.749 -10.946 12.323 1.00 44.52 C ATOM 2001 OD1 ASP A 131 1.374 -11.968 11.973 1.00 1.21 O ATOM 2002 OD2 ASP A 131 -0.410 -10.996 12.792 1.00 4.42 O ATOM 0 H ASP A 131 2.090 -7.255 11.521 1.00 11.30 H new ATOM 0 HA ASP A 131 1.700 -9.721 10.029 1.00 3.12 H new ATOM 0 HB2 ASP A 131 2.477 -9.679 12.401 1.00 23.52 H new ATOM 0 HB3 ASP A 131 0.987 -8.889 12.878 1.00 23.52 H new ATOM 2007 N GLU A 132 -0.682 -7.600 10.322 1.00 73.41 N ATOM 2008 CA GLU A 132 -2.101 -7.296 10.094 1.00 53.15 C ATOM 2009 C GLU A 132 -2.670 -7.911 8.811 1.00 2.45 C ATOM 2010 O GLU A 132 -1.949 -8.380 7.930 1.00 70.32 O ATOM 2011 CB GLU A 132 -2.348 -5.781 10.043 1.00 33.13 C ATOM 2012 CG GLU A 132 -2.524 -5.125 11.402 1.00 62.20 C ATOM 2013 CD GLU A 132 -3.249 -3.795 11.293 1.00 0.12 C ATOM 2014 OE1 GLU A 132 -4.499 -3.801 11.210 1.00 31.15 O ATOM 2015 OE2 GLU A 132 -2.575 -2.746 11.253 1.00 72.12 O ATOM 0 H GLU A 132 -0.089 -6.776 10.417 1.00 73.41 H new ATOM 0 HA GLU A 132 -2.616 -7.745 10.943 1.00 53.15 H new ATOM 0 HB2 GLU A 132 -1.511 -5.306 9.530 1.00 33.13 H new ATOM 0 HB3 GLU A 132 -3.238 -5.591 9.444 1.00 33.13 H new ATOM 0 HG2 GLU A 132 -3.083 -5.792 12.058 1.00 62.20 H new ATOM 0 HG3 GLU A 132 -1.547 -4.971 11.861 1.00 62.20 H new ATOM 2022 N LYS A 133 -3.993 -7.887 8.737 1.00 51.12 N ATOM 2023 CA LYS A 133 -4.731 -8.303 7.548 1.00 1.51 C ATOM 2024 C LYS A 133 -4.883 -7.140 6.554 1.00 30.10 C ATOM 2025 O LYS A 133 -5.032 -5.982 6.954 1.00 54.02 O ATOM 2026 CB LYS A 133 -6.129 -8.822 7.949 1.00 64.44 C ATOM 2027 CG LYS A 133 -7.136 -7.724 8.337 1.00 62.45 C ATOM 2028 CD LYS A 133 -6.681 -6.900 9.547 1.00 4.21 C ATOM 2029 CE LYS A 133 -7.578 -5.688 9.785 1.00 42.01 C ATOM 2030 NZ LYS A 133 -7.098 -4.845 10.916 1.00 31.12 N ATOM 0 H LYS A 133 -4.590 -7.577 9.504 1.00 51.12 H new ATOM 0 HA LYS A 133 -4.167 -9.101 7.064 1.00 1.51 H new ATOM 0 HB2 LYS A 133 -6.540 -9.396 7.119 1.00 64.44 H new ATOM 0 HB3 LYS A 133 -6.020 -9.509 8.788 1.00 64.44 H new ATOM 0 HG2 LYS A 133 -7.287 -7.059 7.487 1.00 62.45 H new ATOM 0 HG3 LYS A 133 -8.100 -8.183 8.558 1.00 62.45 H new ATOM 0 HD2 LYS A 133 -6.681 -7.531 10.436 1.00 4.21 H new ATOM 0 HD3 LYS A 133 -5.655 -6.567 9.393 1.00 4.21 H new ATOM 0 HE2 LYS A 133 -7.620 -5.086 8.878 1.00 42.01 H new ATOM 0 HE3 LYS A 133 -8.594 -6.025 9.991 1.00 42.01 H new ATOM 0 HZ1 LYS A 133 -7.654 -3.967 10.955 1.00 31.12 H new ATOM 0 HZ2 LYS A 133 -7.210 -5.366 11.809 1.00 31.12 H new ATOM 0 HZ3 LYS A 133 -6.094 -4.613 10.774 1.00 31.12 H new ATOM 2044 N VAL A 134 -4.830 -7.448 5.264 1.00 3.30 N ATOM 2045 CA VAL A 134 -5.166 -6.467 4.228 1.00 24.52 C ATOM 2046 C VAL A 134 -6.618 -5.990 4.390 1.00 73.44 C ATOM 2047 O VAL A 134 -7.538 -6.806 4.512 1.00 22.43 O ATOM 2048 CB VAL A 134 -4.974 -7.056 2.806 1.00 1.10 C ATOM 2049 CG1 VAL A 134 -5.385 -6.051 1.728 1.00 33.54 C ATOM 2050 CG2 VAL A 134 -3.527 -7.500 2.608 1.00 44.14 C ATOM 0 H VAL A 134 -4.559 -8.364 4.907 1.00 3.30 H new ATOM 0 HA VAL A 134 -4.489 -5.621 4.348 1.00 24.52 H new ATOM 0 HB VAL A 134 -5.623 -7.927 2.710 1.00 1.10 H new ATOM 0 HG11 VAL A 134 -5.239 -6.494 0.743 1.00 33.54 H new ATOM 0 HG12 VAL A 134 -6.435 -5.790 1.856 1.00 33.54 H new ATOM 0 HG13 VAL A 134 -4.774 -5.153 1.816 1.00 33.54 H new ATOM 0 HG21 VAL A 134 -3.407 -7.911 1.606 1.00 44.14 H new ATOM 0 HG22 VAL A 134 -2.864 -6.644 2.731 1.00 44.14 H new ATOM 0 HG23 VAL A 134 -3.276 -8.262 3.346 1.00 44.14 H new ATOM 2060 N LEU A 135 -6.817 -4.676 4.413 1.00 14.52 N ATOM 2061 CA LEU A 135 -8.161 -4.105 4.556 1.00 60.24 C ATOM 2062 C LEU A 135 -9.073 -4.512 3.394 1.00 61.32 C ATOM 2063 O LEU A 135 -8.897 -4.048 2.275 1.00 64.53 O ATOM 2064 CB LEU A 135 -8.099 -2.567 4.647 1.00 21.24 C ATOM 2065 CG LEU A 135 -7.976 -1.986 6.064 1.00 34.12 C ATOM 2066 CD1 LEU A 135 -7.967 -0.460 6.022 1.00 62.22 C ATOM 2067 CD2 LEU A 135 -9.116 -2.489 6.942 1.00 62.53 C ATOM 0 H LEU A 135 -6.071 -3.985 4.335 1.00 14.52 H new ATOM 0 HA LEU A 135 -8.580 -4.503 5.480 1.00 60.24 H new ATOM 0 HB2 LEU A 135 -7.250 -2.221 4.058 1.00 21.24 H new ATOM 0 HB3 LEU A 135 -8.997 -2.158 4.183 1.00 21.24 H new ATOM 0 HG LEU A 135 -7.032 -2.321 6.493 1.00 34.12 H new ATOM 0 HD11 LEU A 135 -7.879 -0.069 7.036 1.00 62.22 H new ATOM 0 HD12 LEU A 135 -7.121 -0.117 5.426 1.00 62.22 H new ATOM 0 HD13 LEU A 135 -8.894 -0.103 5.574 1.00 62.22 H new ATOM 0 HD21 LEU A 135 -9.016 -2.070 7.943 1.00 62.53 H new ATOM 0 HD22 LEU A 135 -10.069 -2.181 6.513 1.00 62.53 H new ATOM 0 HD23 LEU A 135 -9.079 -3.577 6.999 1.00 62.53 H new ATOM 2079 N SER A 136 -10.046 -5.377 3.667 1.00 24.24 N ATOM 2080 CA SER A 136 -11.041 -5.749 2.651 1.00 44.44 C ATOM 2081 C SER A 136 -11.771 -4.494 2.153 1.00 2.51 C ATOM 2082 O SER A 136 -12.015 -3.574 2.932 1.00 55.33 O ATOM 2083 CB SER A 136 -12.055 -6.752 3.223 1.00 10.40 C ATOM 2084 OG SER A 136 -11.421 -7.949 3.663 1.00 2.32 O ATOM 0 H SER A 136 -10.171 -5.832 4.571 1.00 24.24 H new ATOM 0 HA SER A 136 -10.523 -6.221 1.816 1.00 44.44 H new ATOM 0 HB2 SER A 136 -12.588 -6.295 4.057 1.00 10.40 H new ATOM 0 HB3 SER A 136 -12.798 -6.992 2.463 1.00 10.40 H new ATOM 0 HG SER A 136 -12.095 -8.563 4.022 1.00 2.32 H new ATOM 2090 N VAL A 137 -12.133 -4.467 0.870 1.00 21.40 N ATOM 2091 CA VAL A 137 -12.715 -3.264 0.247 1.00 53.11 C ATOM 2092 C VAL A 137 -13.813 -2.619 1.118 1.00 11.22 C ATOM 2093 O VAL A 137 -13.809 -1.406 1.331 1.00 10.41 O ATOM 2094 CB VAL A 137 -13.293 -3.583 -1.158 1.00 64.42 C ATOM 2095 CG1 VAL A 137 -13.923 -2.342 -1.791 1.00 4.33 C ATOM 2096 CG2 VAL A 137 -12.210 -4.155 -2.072 1.00 21.53 C ATOM 0 H VAL A 137 -12.036 -5.261 0.237 1.00 21.40 H new ATOM 0 HA VAL A 137 -11.898 -2.549 0.150 1.00 53.11 H new ATOM 0 HB VAL A 137 -14.074 -4.333 -1.033 1.00 64.42 H new ATOM 0 HG11 VAL A 137 -14.319 -2.596 -2.774 1.00 4.33 H new ATOM 0 HG12 VAL A 137 -14.732 -1.981 -1.156 1.00 4.33 H new ATOM 0 HG13 VAL A 137 -13.168 -1.563 -1.895 1.00 4.33 H new ATOM 0 HG21 VAL A 137 -12.637 -4.371 -3.051 1.00 21.53 H new ATOM 0 HG22 VAL A 137 -11.404 -3.429 -2.180 1.00 21.53 H new ATOM 0 HG23 VAL A 137 -11.815 -5.073 -1.638 1.00 21.53 H new ATOM 2106 N LYS A 138 -14.741 -3.425 1.627 1.00 15.33 N ATOM 2107 CA LYS A 138 -15.806 -2.909 2.498 1.00 14.50 C ATOM 2108 C LYS A 138 -15.271 -2.533 3.892 1.00 52.34 C ATOM 2109 O LYS A 138 -15.666 -1.518 4.463 1.00 72.14 O ATOM 2110 CB LYS A 138 -16.935 -3.931 2.649 1.00 43.14 C ATOM 2111 CG LYS A 138 -18.138 -3.395 3.424 1.00 2.44 C ATOM 2112 CD LYS A 138 -19.076 -4.514 3.861 1.00 30.31 C ATOM 2113 CE LYS A 138 -18.420 -5.421 4.896 1.00 3.20 C ATOM 2114 NZ LYS A 138 -19.306 -6.543 5.303 1.00 23.25 N ATOM 0 H LYS A 138 -14.782 -4.430 1.457 1.00 15.33 H new ATOM 0 HA LYS A 138 -16.194 -2.009 2.021 1.00 14.50 H new ATOM 0 HB2 LYS A 138 -17.262 -4.249 1.659 1.00 43.14 H new ATOM 0 HB3 LYS A 138 -16.549 -4.815 3.157 1.00 43.14 H new ATOM 0 HG2 LYS A 138 -17.791 -2.849 4.301 1.00 2.44 H new ATOM 0 HG3 LYS A 138 -18.684 -2.686 2.802 1.00 2.44 H new ATOM 0 HD2 LYS A 138 -19.987 -4.085 4.277 1.00 30.31 H new ATOM 0 HD3 LYS A 138 -19.370 -5.104 2.993 1.00 30.31 H new ATOM 0 HE2 LYS A 138 -17.492 -5.823 4.488 1.00 3.20 H new ATOM 0 HE3 LYS A 138 -18.154 -4.833 5.775 1.00 3.20 H new ATOM 0 HZ1 LYS A 138 -18.818 -7.133 6.007 1.00 23.25 H new ATOM 0 HZ2 LYS A 138 -20.181 -6.162 5.717 1.00 23.25 H new ATOM 0 HZ3 LYS A 138 -19.540 -7.121 4.470 1.00 23.25 H new ATOM 2128 N GLU A 139 -14.372 -3.355 4.437 1.00 62.51 N ATOM 2129 CA GLU A 139 -13.799 -3.104 5.762 1.00 20.34 C ATOM 2130 C GLU A 139 -13.091 -1.745 5.784 1.00 21.45 C ATOM 2131 O GLU A 139 -13.129 -1.013 6.774 1.00 53.04 O ATOM 2132 CB GLU A 139 -12.829 -4.235 6.130 1.00 63.44 C ATOM 2133 CG GLU A 139 -12.149 -4.064 7.482 1.00 31.02 C ATOM 2134 CD GLU A 139 -11.379 -5.306 7.907 1.00 20.51 C ATOM 2135 OE1 GLU A 139 -10.297 -5.567 7.342 1.00 2.31 O ATOM 2136 OE2 GLU A 139 -11.859 -6.031 8.806 1.00 2.13 O ATOM 0 H GLU A 139 -14.025 -4.200 3.982 1.00 62.51 H new ATOM 0 HA GLU A 139 -14.599 -3.080 6.502 1.00 20.34 H new ATOM 0 HB2 GLU A 139 -13.373 -5.179 6.127 1.00 63.44 H new ATOM 0 HB3 GLU A 139 -12.063 -4.306 5.358 1.00 63.44 H new ATOM 0 HG2 GLU A 139 -11.467 -3.215 7.437 1.00 31.02 H new ATOM 0 HG3 GLU A 139 -12.900 -3.830 8.236 1.00 31.02 H new ATOM 2143 N LEU A 140 -12.469 -1.418 4.661 1.00 64.34 N ATOM 2144 CA LEU A 140 -11.865 -0.116 4.439 1.00 22.43 C ATOM 2145 C LEU A 140 -12.925 0.999 4.548 1.00 44.32 C ATOM 2146 O LEU A 140 -12.699 2.031 5.185 1.00 43.45 O ATOM 2147 CB LEU A 140 -11.205 -0.131 3.054 1.00 74.44 C ATOM 2148 CG LEU A 140 -10.022 0.824 2.883 1.00 44.55 C ATOM 2149 CD1 LEU A 140 -9.110 0.348 1.764 1.00 22.25 C ATOM 2150 CD2 LEU A 140 -10.492 2.248 2.615 1.00 34.31 C ATOM 0 H LEU A 140 -12.369 -2.056 3.872 1.00 64.34 H new ATOM 0 HA LEU A 140 -11.112 0.089 5.199 1.00 22.43 H new ATOM 0 HB2 LEU A 140 -10.866 -1.145 2.842 1.00 74.44 H new ATOM 0 HB3 LEU A 140 -11.960 0.115 2.307 1.00 74.44 H new ATOM 0 HG LEU A 140 -9.460 0.827 3.817 1.00 44.55 H new ATOM 0 HD11 LEU A 140 -8.274 1.039 1.657 1.00 22.25 H new ATOM 0 HD12 LEU A 140 -8.731 -0.646 2.002 1.00 22.25 H new ATOM 0 HD13 LEU A 140 -9.670 0.309 0.830 1.00 22.25 H new ATOM 0 HD21 LEU A 140 -9.627 2.901 2.498 1.00 34.31 H new ATOM 0 HD22 LEU A 140 -11.088 2.269 1.703 1.00 34.31 H new ATOM 0 HD23 LEU A 140 -11.098 2.595 3.452 1.00 34.31 H new ATOM 2162 N LEU A 141 -14.096 0.764 3.945 1.00 3.10 N ATOM 2163 CA LEU A 141 -15.223 1.708 4.026 1.00 23.35 C ATOM 2164 C LEU A 141 -15.654 1.903 5.487 1.00 33.35 C ATOM 2165 O LEU A 141 -15.896 3.023 5.942 1.00 24.13 O ATOM 2166 CB LEU A 141 -16.427 1.193 3.214 1.00 51.34 C ATOM 2167 CG LEU A 141 -16.121 0.713 1.786 1.00 51.42 C ATOM 2168 CD1 LEU A 141 -17.387 0.179 1.120 1.00 30.44 C ATOM 2169 CD2 LEU A 141 -15.495 1.828 0.955 1.00 72.33 C ATOM 0 H LEU A 141 -14.291 -0.072 3.394 1.00 3.10 H new ATOM 0 HA LEU A 141 -14.890 2.660 3.612 1.00 23.35 H new ATOM 0 HB2 LEU A 141 -16.884 0.370 3.763 1.00 51.34 H new ATOM 0 HB3 LEU A 141 -17.169 1.989 3.157 1.00 51.34 H new ATOM 0 HG LEU A 141 -15.397 -0.100 1.847 1.00 51.42 H new ATOM 0 HD11 LEU A 141 -17.153 -0.157 0.110 1.00 30.44 H new ATOM 0 HD12 LEU A 141 -17.777 -0.658 1.699 1.00 30.44 H new ATOM 0 HD13 LEU A 141 -18.136 0.970 1.075 1.00 30.44 H new ATOM 0 HD21 LEU A 141 -15.289 1.461 -0.050 1.00 72.33 H new ATOM 0 HD22 LEU A 141 -16.184 2.671 0.899 1.00 72.33 H new ATOM 0 HD23 LEU A 141 -14.564 2.150 1.421 1.00 72.33 H new