USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 639 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 52 THR OG1 : rot -75:sc= 1.15 USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= -0.178 USER MOD Set 2.1: A 48 TYR OH : rot -148:sc= 1.2 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 170:sc= 0.536 (180deg=0.374) USER MOD Single : A 3 HIS : no HE2:sc= 1.02 K(o=1,f=-5.3!) USER MOD Single : A 4 MET CE :methyl 157:sc= -0.283 (180deg=-1.13) USER MOD Single : A 5 GLN : amide:sc= -2.77! C(o=-2.8!,f=-5.7!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 1.06 (180deg=1.05) USER MOD Single : A 11 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.27) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00778 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.711 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.0032) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 40 ASN : amide:sc= -1.04 K(o=-1,f=-5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 55 TYR OH : rot -113:sc= 0.538 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -133:sc= -0.312 (180deg=-1.04) USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= 1.17 (180deg=1.11) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 150:sc= -1.68! USER MOD Single : A 85 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= 0.922 K(o=0.92,f=-5.6!) USER MOD Single : A 95 ASN : amide:sc= -0.969 K(o=-0.97,f=-4.5!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00161 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -37.816 5.094 -0.301 1.00 0.62 N ATOM 22 CA HIS A 3 -36.468 4.544 -0.238 1.00 0.44 C ATOM 23 C HIS A 3 -35.673 4.966 -1.468 1.00 0.40 C ATOM 24 O HIS A 3 -36.250 5.401 -2.461 1.00 0.53 O ATOM 25 CB HIS A 3 -36.503 3.010 -0.183 1.00 0.55 C ATOM 26 CG HIS A 3 -37.118 2.433 1.056 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.383 1.089 1.201 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.509 3.014 2.214 1.00 1.91 C ATOM 29 CE1 HIS A 3 -37.906 0.873 2.391 1.00 2.22 C ATOM 30 NE2 HIS A 3 -37.999 2.024 3.028 1.00 2.50 N ATOM 0 HA HIS A 3 -35.995 4.927 0.666 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -37.055 2.643 -1.049 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -35.483 2.635 -0.272 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -37.203 0.373 0.497 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -37.447 4.065 2.454 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -38.209 -0.088 2.780 1.00 2.22 H new ATOM 39 N MET A 4 -34.349 4.851 -1.390 1.00 0.38 N ATOM 40 CA MET A 4 -33.471 5.128 -2.520 1.00 0.41 C ATOM 41 C MET A 4 -32.418 4.032 -2.591 1.00 0.37 C ATOM 42 O MET A 4 -31.894 3.611 -1.559 1.00 0.43 O ATOM 43 CB MET A 4 -32.799 6.503 -2.393 1.00 0.54 C ATOM 44 CG MET A 4 -33.772 7.668 -2.458 1.00 1.29 C ATOM 45 SD MET A 4 -32.943 9.269 -2.504 1.00 1.92 S ATOM 46 CE MET A 4 -32.002 9.107 -4.018 1.00 2.06 C ATOM 0 H MET A 4 -33.858 4.564 -0.543 1.00 0.38 H new ATOM 0 HA MET A 4 -34.065 5.145 -3.434 1.00 0.41 H new ATOM 0 HB2 MET A 4 -32.257 6.546 -1.448 1.00 0.54 H new ATOM 0 HB3 MET A 4 -32.062 6.612 -3.189 1.00 0.54 H new ATOM 0 HG2 MET A 4 -34.399 7.563 -3.344 1.00 1.29 H new ATOM 0 HG3 MET A 4 -34.434 7.631 -1.593 1.00 1.29 H new ATOM 0 HE1 MET A 4 -31.769 10.097 -4.409 1.00 2.06 H new ATOM 0 HE2 MET A 4 -31.076 8.569 -3.815 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.588 8.555 -4.753 1.00 2.06 H new ATOM 56 N GLN A 5 -32.167 3.514 -3.785 1.00 0.34 N ATOM 57 CA GLN A 5 -31.233 2.412 -3.950 1.00 0.33 C ATOM 58 C GLN A 5 -29.787 2.903 -3.936 1.00 0.29 C ATOM 59 O GLN A 5 -29.452 3.905 -4.568 1.00 0.49 O ATOM 60 CB GLN A 5 -31.517 1.667 -5.255 1.00 0.44 C ATOM 61 CG GLN A 5 -30.714 0.386 -5.419 1.00 0.53 C ATOM 62 CD GLN A 5 -31.064 -0.657 -4.381 1.00 1.07 C ATOM 63 OE1 GLN A 5 -30.438 -0.741 -3.330 1.00 1.90 O ATOM 64 NE2 GLN A 5 -32.085 -1.448 -4.667 1.00 1.53 N ATOM 0 H GLN A 5 -32.597 3.839 -4.651 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.370 1.731 -3.110 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.579 1.427 -5.301 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.303 2.329 -6.094 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -30.890 -0.024 -6.414 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -29.651 0.617 -5.352 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -32.578 -1.344 -5.554 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -32.379 -2.162 -4.001 1.00 1.53 H new ATOM 73 N TYR A 6 -28.953 2.189 -3.201 1.00 0.20 N ATOM 74 CA TYR A 6 -27.525 2.471 -3.138 1.00 0.21 C ATOM 75 C TYR A 6 -26.747 1.199 -3.454 1.00 0.23 C ATOM 76 O TYR A 6 -27.238 0.095 -3.210 1.00 0.30 O ATOM 77 CB TYR A 6 -27.120 3.013 -1.752 1.00 0.28 C ATOM 78 CG TYR A 6 -27.303 4.510 -1.594 1.00 0.28 C ATOM 79 CD1 TYR A 6 -28.503 5.042 -1.141 1.00 0.79 C ATOM 80 CD2 TYR A 6 -26.265 5.388 -1.887 1.00 0.78 C ATOM 81 CE1 TYR A 6 -28.663 6.403 -0.983 1.00 0.82 C ATOM 82 CE2 TYR A 6 -26.420 6.750 -1.731 1.00 0.83 C ATOM 83 CZ TYR A 6 -27.619 7.254 -1.279 1.00 0.43 C ATOM 84 OH TYR A 6 -27.771 8.610 -1.119 1.00 0.53 O ATOM 0 H TYR A 6 -29.244 1.396 -2.629 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.290 3.240 -3.874 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.708 2.504 -0.989 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.075 2.764 -1.568 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -29.324 4.380 -0.909 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -25.323 4.998 -2.242 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -29.603 6.801 -0.629 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -25.604 7.418 -1.963 1.00 0.83 H new ATOM 0 HH TYR A 6 -26.940 9.064 -1.371 1.00 0.53 H new ATOM 94 N LYS A 7 -25.542 1.351 -3.982 1.00 0.26 N ATOM 95 CA LYS A 7 -24.723 0.196 -4.359 1.00 0.30 C ATOM 96 C LYS A 7 -23.300 0.360 -3.840 1.00 0.23 C ATOM 97 O LYS A 7 -22.741 1.446 -3.910 1.00 0.31 O ATOM 98 CB LYS A 7 -24.693 -0.015 -5.895 1.00 0.50 C ATOM 99 CG LYS A 7 -23.721 -1.105 -6.328 1.00 0.98 C ATOM 100 CD LYS A 7 -23.445 -1.078 -7.821 1.00 1.30 C ATOM 101 CE LYS A 7 -24.557 -1.739 -8.615 1.00 1.94 C ATOM 102 NZ LYS A 7 -24.090 -2.125 -9.970 1.00 2.57 N ATOM 0 H LYS A 7 -25.106 2.256 -4.161 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.179 -0.683 -3.905 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -25.695 -0.271 -6.240 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -24.419 0.922 -6.379 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -22.783 -0.987 -5.786 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -24.127 -2.079 -6.054 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -23.329 -0.045 -8.150 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -22.502 -1.586 -8.025 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -24.912 -2.622 -8.084 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -25.403 -1.057 -8.699 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -24.854 -2.620 -10.473 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -23.822 -1.272 -10.501 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -23.266 -2.754 -9.887 1.00 2.57 H new ATOM 116 N LEU A 8 -22.760 -0.684 -3.231 1.00 0.22 N ATOM 117 CA LEU A 8 -21.371 -0.671 -2.790 1.00 0.20 C ATOM 118 C LEU A 8 -20.580 -1.729 -3.543 1.00 0.17 C ATOM 119 O LEU A 8 -21.091 -2.814 -3.828 1.00 0.25 O ATOM 120 CB LEU A 8 -21.264 -0.935 -1.277 1.00 0.28 C ATOM 121 CG LEU A 8 -19.846 -0.890 -0.699 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.386 0.534 -0.443 1.00 0.30 C ATOM 123 CD2 LEU A 8 -19.783 -1.699 0.572 1.00 0.33 C ATOM 0 H LEU A 8 -23.260 -1.550 -3.030 1.00 0.22 H new ATOM 0 HA LEU A 8 -20.961 0.317 -2.999 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -21.875 -0.200 -0.753 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.693 -1.914 -1.065 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.170 -1.323 -1.437 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.376 0.522 -0.033 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.391 1.092 -1.379 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.060 1.012 0.268 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -18.772 -1.662 0.977 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -20.481 -1.287 1.301 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.051 -2.734 0.358 1.00 0.33 H new ATOM 135 N ILE A 9 -19.345 -1.397 -3.884 1.00 0.15 N ATOM 136 CA ILE A 9 -18.461 -2.324 -4.563 1.00 0.14 C ATOM 137 C ILE A 9 -17.251 -2.587 -3.683 1.00 0.13 C ATOM 138 O ILE A 9 -16.584 -1.649 -3.239 1.00 0.17 O ATOM 139 CB ILE A 9 -18.002 -1.791 -5.946 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.194 -1.685 -6.918 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.929 -2.703 -6.527 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.817 -1.091 -8.265 1.00 0.62 C ATOM 0 H ILE A 9 -18.932 -0.483 -3.698 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.011 -3.248 -4.741 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.585 -0.793 -5.808 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.619 -2.677 -7.072 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.972 -1.072 -6.463 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.613 -2.321 -7.498 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.073 -2.733 -5.853 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.332 -3.709 -6.647 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.700 -1.044 -8.902 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.420 -0.086 -8.121 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.060 -1.716 -8.739 1.00 0.62 H new ATOM 154 N LEU A 10 -17.010 -3.849 -3.368 1.00 0.12 N ATOM 155 CA LEU A 10 -15.885 -4.196 -2.522 1.00 0.13 C ATOM 156 C LEU A 10 -14.675 -4.512 -3.371 1.00 0.15 C ATOM 157 O LEU A 10 -14.631 -5.540 -4.047 1.00 0.25 O ATOM 158 CB LEU A 10 -16.172 -5.389 -1.586 1.00 0.14 C ATOM 159 CG LEU A 10 -17.343 -5.262 -0.597 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.461 -3.865 -0.033 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.658 -5.693 -1.232 1.00 0.19 C ATOM 0 H LEU A 10 -17.572 -4.640 -3.682 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.696 -3.327 -1.892 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.353 -6.266 -2.208 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.268 -5.587 -1.010 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.125 -5.936 0.232 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.301 -3.822 0.660 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.542 -3.606 0.494 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.625 -3.157 -0.846 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.464 -5.590 -0.505 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.868 -5.064 -2.097 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.585 -6.733 -1.549 1.00 0.19 H new ATOM 173 N ASN A 11 -13.730 -3.590 -3.385 1.00 0.15 N ATOM 174 CA ASN A 11 -12.484 -3.802 -4.093 1.00 0.18 C ATOM 175 C ASN A 11 -11.442 -4.290 -3.107 1.00 0.20 C ATOM 176 O ASN A 11 -10.730 -3.496 -2.485 1.00 0.24 O ATOM 177 CB ASN A 11 -11.986 -2.517 -4.777 1.00 0.24 C ATOM 178 CG ASN A 11 -12.748 -2.170 -6.038 1.00 1.01 C ATOM 179 OD1 ASN A 11 -13.932 -2.455 -6.161 1.00 1.96 O ATOM 180 ND2 ASN A 11 -12.064 -1.556 -6.991 1.00 1.33 N ATOM 0 H ASN A 11 -13.803 -2.688 -2.914 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.654 -4.543 -4.874 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -12.064 -1.687 -4.075 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -10.929 -2.630 -5.020 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -12.523 -1.303 -7.866 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -11.078 -1.336 -6.850 1.00 1.33 H new ATOM 187 N GLY A 12 -11.410 -5.597 -2.925 1.00 0.21 N ATOM 188 CA GLY A 12 -10.459 -6.197 -2.016 1.00 0.26 C ATOM 189 C GLY A 12 -9.735 -7.361 -2.648 1.00 0.39 C ATOM 190 O GLY A 12 -9.735 -7.524 -3.865 1.00 0.91 O ATOM 0 H GLY A 12 -12.029 -6.258 -3.393 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.734 -5.446 -1.701 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.978 -6.536 -1.119 1.00 0.26 H new ATOM 194 N LYS A 13 -9.057 -8.128 -1.820 1.00 0.44 N ATOM 195 CA LYS A 13 -8.323 -9.303 -2.291 1.00 0.56 C ATOM 196 C LYS A 13 -9.197 -10.572 -2.266 1.00 0.66 C ATOM 197 O LYS A 13 -9.390 -11.202 -3.306 1.00 0.89 O ATOM 198 CB LYS A 13 -7.025 -9.500 -1.485 1.00 0.76 C ATOM 199 CG LYS A 13 -6.032 -8.356 -1.648 1.00 1.17 C ATOM 200 CD LYS A 13 -4.822 -8.537 -0.743 1.00 1.63 C ATOM 201 CE LYS A 13 -3.783 -7.441 -0.949 1.00 2.41 C ATOM 202 NZ LYS A 13 -4.357 -6.079 -0.807 1.00 3.26 N ATOM 0 H LYS A 13 -8.994 -7.966 -0.815 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.050 -9.124 -3.331 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -7.274 -9.607 -0.429 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.550 -10.430 -1.796 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -5.706 -8.300 -2.687 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.523 -7.411 -1.417 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -5.145 -8.538 0.298 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.367 -9.508 -0.937 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -2.977 -7.569 -0.227 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -3.342 -7.544 -1.941 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -3.601 -5.407 -0.567 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -4.802 -5.795 -1.703 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -5.071 -6.080 -0.051 1.00 3.26 H new ATOM 216 N THR A 14 -9.751 -10.938 -1.104 1.00 0.76 N ATOM 217 CA THR A 14 -10.593 -12.123 -1.005 1.00 1.06 C ATOM 218 C THR A 14 -12.067 -11.737 -0.983 1.00 0.93 C ATOM 219 O THR A 14 -12.945 -12.583 -0.809 1.00 1.20 O ATOM 220 CB THR A 14 -10.248 -12.926 0.261 1.00 1.44 C ATOM 221 OG1 THR A 14 -10.099 -12.033 1.372 1.00 1.93 O ATOM 222 CG2 THR A 14 -8.964 -13.718 0.076 1.00 1.86 C ATOM 0 H THR A 14 -9.629 -10.431 -0.228 1.00 0.76 H new ATOM 0 HA THR A 14 -10.405 -12.743 -1.881 1.00 1.06 H new ATOM 0 HB THR A 14 -11.061 -13.626 0.451 1.00 1.44 H new ATOM 0 HG1 THR A 14 -9.881 -12.547 2.178 1.00 1.93 H new ATOM 0 HG21 THR A 14 -8.746 -14.275 0.987 1.00 1.86 H new ATOM 0 HG22 THR A 14 -9.082 -14.413 -0.755 1.00 1.86 H new ATOM 0 HG23 THR A 14 -8.142 -13.034 -0.137 1.00 1.86 H new ATOM 230 N LEU A 15 -12.326 -10.450 -1.170 1.00 0.64 N ATOM 231 CA LEU A 15 -13.680 -9.932 -1.193 1.00 0.66 C ATOM 232 C LEU A 15 -13.833 -8.963 -2.351 1.00 0.49 C ATOM 233 O LEU A 15 -13.375 -7.823 -2.288 1.00 0.55 O ATOM 234 CB LEU A 15 -14.006 -9.226 0.133 1.00 0.92 C ATOM 235 CG LEU A 15 -15.389 -9.505 0.732 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.475 -9.299 -0.299 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.447 -10.910 1.311 1.00 1.35 C ATOM 0 H LEU A 15 -11.605 -9.742 -1.309 1.00 0.64 H new ATOM 0 HA LEU A 15 -14.375 -10.761 -1.322 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -13.252 -9.512 0.867 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -13.911 -8.151 -0.020 1.00 0.92 H new ATOM 0 HG LEU A 15 -15.560 -8.796 1.542 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -17.447 -9.503 0.150 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.449 -8.269 -0.654 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -16.314 -9.976 -1.138 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -16.436 -11.090 1.732 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -15.250 -11.637 0.523 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -14.696 -11.012 2.094 1.00 1.35 H new ATOM 249 N LYS A 16 -14.392 -9.461 -3.439 1.00 0.42 N ATOM 250 CA LYS A 16 -14.620 -8.661 -4.630 1.00 0.37 C ATOM 251 C LYS A 16 -16.042 -8.901 -5.133 1.00 0.43 C ATOM 252 O LYS A 16 -16.366 -9.994 -5.597 1.00 0.58 O ATOM 253 CB LYS A 16 -13.588 -9.034 -5.701 1.00 0.45 C ATOM 254 CG LYS A 16 -12.141 -8.729 -5.308 1.00 0.43 C ATOM 255 CD LYS A 16 -11.160 -9.595 -6.068 1.00 1.03 C ATOM 256 CE LYS A 16 -11.444 -9.605 -7.563 1.00 1.81 C ATOM 257 NZ LYS A 16 -11.073 -8.321 -8.214 1.00 2.49 N ATOM 0 H LYS A 16 -14.700 -10.430 -3.523 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.507 -7.602 -4.398 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.677 -10.098 -5.921 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.824 -8.498 -6.620 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.925 -7.678 -5.502 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -12.013 -8.888 -4.237 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -10.147 -9.232 -5.894 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.204 -10.614 -5.684 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -10.892 -10.420 -8.030 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -12.503 -9.801 -7.729 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -11.284 -8.374 -9.231 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -11.618 -7.545 -7.787 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -10.057 -8.145 -8.080 1.00 2.49 H new ATOM 271 N GLY A 17 -16.891 -7.893 -5.010 1.00 0.33 N ATOM 272 CA GLY A 17 -18.287 -8.043 -5.384 1.00 0.39 C ATOM 273 C GLY A 17 -19.080 -6.781 -5.116 1.00 0.26 C ATOM 274 O GLY A 17 -18.495 -5.734 -4.828 1.00 0.23 O ATOM 0 H GLY A 17 -16.640 -6.970 -4.657 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.355 -8.297 -6.442 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.725 -8.872 -4.829 1.00 0.39 H new ATOM 278 N GLU A 18 -20.407 -6.890 -5.141 1.00 0.28 N ATOM 279 CA GLU A 18 -21.279 -5.738 -4.940 1.00 0.23 C ATOM 280 C GLU A 18 -22.458 -6.099 -4.050 1.00 0.29 C ATOM 281 O GLU A 18 -22.703 -7.277 -3.782 1.00 0.49 O ATOM 282 CB GLU A 18 -21.829 -5.246 -6.287 1.00 0.46 C ATOM 283 CG GLU A 18 -20.776 -4.931 -7.338 1.00 0.70 C ATOM 284 CD GLU A 18 -21.378 -4.757 -8.719 1.00 1.17 C ATOM 285 OE1 GLU A 18 -21.982 -3.696 -8.986 1.00 1.69 O ATOM 286 OE2 GLU A 18 -21.261 -5.686 -9.543 1.00 1.69 O ATOM 0 H GLU A 18 -20.902 -7.768 -5.299 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.686 -4.956 -4.465 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.502 -6.005 -6.686 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.425 -4.350 -6.113 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.246 -4.021 -7.057 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -20.039 -5.734 -7.363 1.00 0.70 H new ATOM 293 N THR A 19 -23.177 -5.077 -3.607 1.00 0.22 N ATOM 294 CA THR A 19 -24.392 -5.264 -2.830 1.00 0.32 C ATOM 295 C THR A 19 -25.193 -3.962 -2.812 1.00 0.29 C ATOM 296 O THR A 19 -24.622 -2.875 -2.939 1.00 0.31 O ATOM 297 CB THR A 19 -24.097 -5.734 -1.385 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.328 -5.987 -0.682 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.283 -4.690 -0.630 1.00 0.45 C ATOM 0 H THR A 19 -22.935 -4.100 -3.775 1.00 0.22 H new ATOM 0 HA THR A 19 -24.976 -6.051 -3.308 1.00 0.32 H new ATOM 0 HB THR A 19 -23.517 -6.655 -1.442 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.129 -6.285 0.230 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.088 -5.043 0.383 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.337 -4.525 -1.145 1.00 0.45 H new ATOM 0 HG23 THR A 19 -23.841 -3.755 -0.587 1.00 0.45 H new ATOM 307 N THR A 20 -26.511 -4.077 -2.720 1.00 0.27 N ATOM 308 CA THR A 20 -27.389 -2.915 -2.720 1.00 0.24 C ATOM 309 C THR A 20 -28.150 -2.803 -1.394 1.00 0.25 C ATOM 310 O THR A 20 -28.184 -3.760 -0.615 1.00 0.31 O ATOM 311 CB THR A 20 -28.390 -3.005 -3.899 1.00 0.30 C ATOM 312 OG1 THR A 20 -29.077 -4.266 -3.860 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.671 -2.858 -5.240 1.00 0.32 C ATOM 0 H THR A 20 -26.998 -4.970 -2.644 1.00 0.27 H new ATOM 0 HA THR A 20 -26.774 -2.023 -2.838 1.00 0.24 H new ATOM 0 HB THR A 20 -29.108 -2.191 -3.799 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.710 -4.317 -4.607 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.396 -2.925 -6.051 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.170 -1.891 -5.280 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.933 -3.653 -5.346 1.00 0.32 H new ATOM 321 N THR A 21 -28.715 -1.633 -1.125 1.00 0.23 N ATOM 322 CA THR A 21 -29.499 -1.411 0.087 1.00 0.26 C ATOM 323 C THR A 21 -30.435 -0.223 -0.118 1.00 0.25 C ATOM 324 O THR A 21 -30.151 0.668 -0.925 1.00 0.26 O ATOM 325 CB THR A 21 -28.604 -1.164 1.330 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.389 -1.290 2.523 1.00 0.38 O ATOM 327 CG2 THR A 21 -27.978 0.237 1.307 1.00 0.28 C ATOM 0 H THR A 21 -28.645 -0.817 -1.733 1.00 0.23 H new ATOM 0 HA THR A 21 -30.076 -2.317 0.275 1.00 0.26 H new ATOM 0 HB THR A 21 -27.806 -1.906 1.312 1.00 0.31 H new ATOM 0 HG1 THR A 21 -28.821 -1.135 3.306 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.358 0.373 2.193 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.363 0.346 0.414 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.768 0.988 1.298 1.00 0.28 H new ATOM 335 N GLU A 22 -31.547 -0.214 0.601 1.00 0.31 N ATOM 336 CA GLU A 22 -32.527 0.853 0.470 1.00 0.36 C ATOM 337 C GLU A 22 -32.338 1.883 1.579 1.00 0.36 C ATOM 338 O GLU A 22 -32.698 1.634 2.729 1.00 0.58 O ATOM 339 CB GLU A 22 -33.949 0.277 0.553 1.00 0.51 C ATOM 340 CG GLU A 22 -34.230 -0.890 -0.391 1.00 1.16 C ATOM 341 CD GLU A 22 -35.601 -1.484 -0.152 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.669 -2.631 0.343 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.609 -0.819 -0.461 1.00 2.24 O ATOM 0 H GLU A 22 -31.793 -0.933 1.281 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.385 1.334 -0.498 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.133 -0.051 1.576 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -34.661 1.075 0.341 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -34.156 -0.549 -1.424 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.471 -1.660 -0.254 1.00 1.16 H new ATOM 350 N ALA A 23 -31.786 3.041 1.238 1.00 0.26 N ATOM 351 CA ALA A 23 -31.577 4.092 2.232 1.00 0.28 C ATOM 352 C ALA A 23 -32.179 5.404 1.734 1.00 0.31 C ATOM 353 O ALA A 23 -32.293 5.608 0.531 1.00 0.38 O ATOM 354 CB ALA A 23 -30.089 4.271 2.539 1.00 0.32 C ATOM 0 H ALA A 23 -31.478 3.277 0.295 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.076 3.797 3.155 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -29.963 5.059 3.281 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.683 3.337 2.928 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.559 4.544 1.626 1.00 0.32 H new ATOM 360 N VAL A 24 -32.592 6.281 2.642 1.00 0.35 N ATOM 361 CA VAL A 24 -33.179 7.533 2.264 1.00 0.45 C ATOM 362 C VAL A 24 -32.162 8.683 2.408 1.00 0.49 C ATOM 363 O VAL A 24 -32.434 9.832 2.047 1.00 0.74 O ATOM 364 CB VAL A 24 -34.411 7.772 3.155 1.00 0.56 C ATOM 365 CG1 VAL A 24 -34.022 7.783 4.628 1.00 1.05 C ATOM 366 CG2 VAL A 24 -35.093 9.047 2.777 1.00 1.09 C ATOM 0 H VAL A 24 -32.524 6.134 3.649 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.480 7.502 1.217 1.00 0.45 H new ATOM 0 HB VAL A 24 -35.110 6.950 2.998 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -34.909 7.954 5.237 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -33.578 6.824 4.894 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -33.300 8.579 4.808 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.962 9.199 3.418 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -34.401 9.880 2.900 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -35.414 8.993 1.737 1.00 1.09 H new ATOM 376 N ASP A 25 -30.949 8.341 2.823 1.00 0.39 N ATOM 377 CA ASP A 25 -29.921 9.350 3.077 1.00 0.45 C ATOM 378 C ASP A 25 -28.536 8.821 2.734 1.00 0.39 C ATOM 379 O ASP A 25 -28.294 7.612 2.786 1.00 0.35 O ATOM 380 CB ASP A 25 -29.970 9.808 4.542 1.00 0.54 C ATOM 381 CG ASP A 25 -28.814 10.699 4.945 1.00 1.25 C ATOM 382 OD1 ASP A 25 -28.774 11.855 4.485 1.00 1.51 O ATOM 383 OD2 ASP A 25 -27.938 10.248 5.708 1.00 2.13 O ATOM 0 H ASP A 25 -30.651 7.380 2.991 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.124 10.206 2.434 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -30.905 10.342 4.715 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.981 8.929 5.187 1.00 0.54 H new ATOM 388 N ALA A 26 -27.619 9.739 2.470 1.00 0.44 N ATOM 389 CA ALA A 26 -26.267 9.384 2.063 1.00 0.46 C ATOM 390 C ALA A 26 -25.432 8.918 3.250 1.00 0.38 C ATOM 391 O ALA A 26 -24.682 7.945 3.147 1.00 0.37 O ATOM 392 CB ALA A 26 -25.593 10.563 1.377 1.00 0.59 C ATOM 0 H ALA A 26 -27.788 10.743 2.531 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.339 8.556 1.358 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.583 10.282 1.079 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.166 10.847 0.494 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.546 11.407 2.066 1.00 0.59 H new ATOM 398 N ALA A 27 -25.578 9.601 4.384 1.00 0.39 N ATOM 399 CA ALA A 27 -24.833 9.244 5.588 1.00 0.38 C ATOM 400 C ALA A 27 -25.378 7.942 6.159 1.00 0.31 C ATOM 401 O ALA A 27 -24.630 7.109 6.671 1.00 0.32 O ATOM 402 CB ALA A 27 -24.906 10.359 6.621 1.00 0.48 C ATOM 0 H ALA A 27 -26.202 10.400 4.494 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.784 9.104 5.326 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.344 10.070 7.509 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.480 11.271 6.203 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -25.947 10.536 6.892 1.00 0.48 H new ATOM 408 N THR A 28 -26.687 7.767 6.040 1.00 0.31 N ATOM 409 CA THR A 28 -27.333 6.535 6.479 1.00 0.30 C ATOM 410 C THR A 28 -26.846 5.352 5.637 1.00 0.24 C ATOM 411 O THR A 28 -26.710 4.238 6.138 1.00 0.28 O ATOM 412 CB THR A 28 -28.874 6.630 6.389 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.336 7.804 7.072 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.531 5.396 7.004 1.00 0.45 C ATOM 0 H THR A 28 -27.322 8.460 5.644 1.00 0.31 H new ATOM 0 HA THR A 28 -27.062 6.381 7.524 1.00 0.30 H new ATOM 0 HB THR A 28 -29.149 6.687 5.336 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.313 7.776 7.147 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.615 5.485 6.929 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.203 4.505 6.470 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.245 5.316 8.053 1.00 0.45 H new ATOM 422 N ALA A 29 -26.481 5.623 4.384 1.00 0.21 N ATOM 423 CA ALA A 29 -26.019 4.576 3.490 1.00 0.22 C ATOM 424 C ALA A 29 -24.614 4.157 3.877 1.00 0.21 C ATOM 425 O ALA A 29 -24.271 2.975 3.846 1.00 0.25 O ATOM 426 CB ALA A 29 -26.058 5.048 2.046 1.00 0.28 C ATOM 0 H ALA A 29 -26.498 6.556 3.972 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.683 3.716 3.580 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.708 4.249 1.392 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.080 5.315 1.778 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.414 5.920 1.931 1.00 0.28 H new ATOM 432 N GLU A 30 -23.812 5.143 4.269 1.00 0.19 N ATOM 433 CA GLU A 30 -22.449 4.900 4.710 1.00 0.20 C ATOM 434 C GLU A 30 -22.465 3.995 5.935 1.00 0.20 C ATOM 435 O GLU A 30 -21.893 2.908 5.921 1.00 0.23 O ATOM 436 CB GLU A 30 -21.764 6.224 5.061 1.00 0.24 C ATOM 437 CG GLU A 30 -20.252 6.148 5.056 1.00 0.35 C ATOM 438 CD GLU A 30 -19.602 7.369 5.672 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.291 7.339 6.879 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.406 8.374 4.950 1.00 1.29 O ATOM 0 H GLU A 30 -24.089 6.124 4.289 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.896 4.417 3.904 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.083 6.987 4.351 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.099 6.546 6.047 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.935 5.259 5.602 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.902 6.034 4.030 1.00 0.35 H new ATOM 447 N LYS A 31 -23.224 4.404 6.944 1.00 0.20 N ATOM 448 CA LYS A 31 -23.295 3.678 8.211 1.00 0.24 C ATOM 449 C LYS A 31 -23.675 2.205 8.037 1.00 0.22 C ATOM 450 O LYS A 31 -23.034 1.328 8.618 1.00 0.26 O ATOM 451 CB LYS A 31 -24.266 4.367 9.172 1.00 0.29 C ATOM 452 CG LYS A 31 -23.735 5.689 9.717 1.00 0.39 C ATOM 453 CD LYS A 31 -22.360 5.525 10.357 1.00 1.10 C ATOM 454 CE LYS A 31 -22.379 4.501 11.480 1.00 1.86 C ATOM 455 NZ LYS A 31 -21.024 4.279 12.048 1.00 2.42 N ATOM 0 H LYS A 31 -23.805 5.242 6.911 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.291 3.696 8.635 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.210 4.546 8.658 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.479 3.697 10.005 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.675 6.418 8.909 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.434 6.086 10.453 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.640 5.219 9.598 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -22.023 6.486 10.747 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -23.052 4.838 12.268 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -22.775 3.557 11.105 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -21.079 3.574 12.811 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -20.387 3.933 11.302 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -20.656 5.174 12.429 1.00 2.42 H new ATOM 469 N VAL A 32 -24.677 1.930 7.207 1.00 0.20 N ATOM 470 CA VAL A 32 -25.135 0.557 6.992 1.00 0.22 C ATOM 471 C VAL A 32 -24.072 -0.275 6.267 1.00 0.18 C ATOM 472 O VAL A 32 -23.708 -1.365 6.715 1.00 0.20 O ATOM 473 CB VAL A 32 -26.452 0.514 6.184 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.889 -0.923 5.926 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.543 1.281 6.909 1.00 0.29 C ATOM 0 H VAL A 32 -25.187 2.634 6.674 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.315 0.130 7.979 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.274 0.990 5.220 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.818 -0.924 5.356 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -26.116 -1.443 5.360 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -27.046 -1.432 6.877 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.464 1.241 6.327 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.713 0.834 7.888 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -27.237 2.320 7.033 1.00 0.29 H new ATOM 485 N PHE A 33 -23.534 0.275 5.186 1.00 0.16 N ATOM 486 CA PHE A 33 -22.529 -0.422 4.385 1.00 0.15 C ATOM 487 C PHE A 33 -21.184 -0.541 5.104 1.00 0.15 C ATOM 488 O PHE A 33 -20.385 -1.405 4.767 1.00 0.17 O ATOM 489 CB PHE A 33 -22.318 0.273 3.037 1.00 0.17 C ATOM 490 CG PHE A 33 -23.284 -0.130 1.958 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.788 0.802 1.065 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.700 -1.447 1.852 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.689 0.425 0.087 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.601 -1.829 0.877 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.041 -0.861 -0.068 1.00 0.29 C ATOM 0 H PHE A 33 -23.776 1.204 4.841 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.918 -1.427 4.223 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.390 1.350 3.185 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.305 0.066 2.693 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.474 1.833 1.134 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.315 -2.185 2.540 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.116 1.176 -0.562 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.965 -2.845 0.833 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.655 -1.159 -0.905 1.00 0.29 H new ATOM 505 N LYS A 34 -20.925 0.317 6.080 1.00 0.16 N ATOM 506 CA LYS A 34 -19.673 0.261 6.809 1.00 0.20 C ATOM 507 C LYS A 34 -19.718 -0.883 7.811 1.00 0.20 C ATOM 508 O LYS A 34 -18.729 -1.577 8.022 1.00 0.22 O ATOM 509 CB LYS A 34 -19.406 1.595 7.510 1.00 0.29 C ATOM 510 CG LYS A 34 -19.050 2.725 6.550 1.00 0.43 C ATOM 511 CD LYS A 34 -18.475 3.936 7.275 1.00 0.38 C ATOM 512 CE LYS A 34 -17.143 3.616 7.917 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.553 4.805 8.572 1.00 1.09 N ATOM 0 H LYS A 34 -21.562 1.054 6.382 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.856 0.081 6.111 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.289 1.879 8.082 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.592 1.465 8.224 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.327 2.364 5.819 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -19.940 3.024 5.997 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.352 4.759 6.571 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -19.177 4.272 8.038 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -17.275 2.823 8.653 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.455 3.238 7.160 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.641 4.548 9.001 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.405 5.553 7.865 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -17.198 5.150 9.311 1.00 1.09 H new ATOM 527 N GLN A 35 -20.881 -1.052 8.432 1.00 0.21 N ATOM 528 CA GLN A 35 -21.137 -2.166 9.327 1.00 0.24 C ATOM 529 C GLN A 35 -21.061 -3.444 8.501 1.00 0.21 C ATOM 530 O GLN A 35 -20.532 -4.466 8.936 1.00 0.24 O ATOM 531 CB GLN A 35 -22.546 -2.007 9.928 1.00 0.32 C ATOM 532 CG GLN A 35 -22.717 -2.410 11.399 1.00 0.43 C ATOM 533 CD GLN A 35 -22.157 -3.782 11.722 1.00 1.28 C ATOM 534 OE1 GLN A 35 -22.847 -4.793 11.591 1.00 2.20 O ATOM 535 NE2 GLN A 35 -20.914 -3.824 12.176 1.00 1.82 N ATOM 0 H GLN A 35 -21.672 -0.417 8.326 1.00 0.21 H new ATOM 0 HA GLN A 35 -20.410 -2.200 10.138 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.845 -0.964 9.824 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -23.240 -2.598 9.330 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -22.226 -1.669 12.029 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -23.777 -2.391 11.651 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -20.376 -2.963 12.270 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -20.495 -4.718 12.432 1.00 1.82 H new ATOM 544 N TYR A 36 -21.592 -3.339 7.288 1.00 0.19 N ATOM 545 CA TYR A 36 -21.542 -4.415 6.307 1.00 0.18 C ATOM 546 C TYR A 36 -20.094 -4.766 5.962 1.00 0.17 C ATOM 547 O TYR A 36 -19.687 -5.916 6.079 1.00 0.19 O ATOM 548 CB TYR A 36 -22.298 -3.988 5.043 1.00 0.19 C ATOM 549 CG TYR A 36 -21.996 -4.841 3.841 1.00 0.21 C ATOM 550 CD1 TYR A 36 -21.246 -4.322 2.810 1.00 1.21 C ATOM 551 CD2 TYR A 36 -22.439 -6.152 3.739 1.00 1.11 C ATOM 552 CE1 TYR A 36 -20.929 -5.068 1.701 1.00 1.24 C ATOM 553 CE2 TYR A 36 -22.132 -6.918 2.631 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.375 -6.373 1.614 1.00 0.34 C ATOM 555 OH TYR A 36 -21.063 -7.134 0.510 1.00 0.42 O ATOM 0 H TYR A 36 -22.071 -2.502 6.957 1.00 0.19 H new ATOM 0 HA TYR A 36 -22.014 -5.301 6.731 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.369 -4.022 5.242 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.049 -2.952 4.814 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -20.898 -3.302 2.875 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -23.031 -6.579 4.535 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -20.338 -4.639 0.906 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -22.482 -7.937 2.561 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.453 -8.028 0.608 1.00 0.42 H new ATOM 565 N ALA A 37 -19.328 -3.763 5.535 1.00 0.15 N ATOM 566 CA ALA A 37 -17.924 -3.957 5.172 1.00 0.16 C ATOM 567 C ALA A 37 -17.121 -4.459 6.366 1.00 0.18 C ATOM 568 O ALA A 37 -16.101 -5.132 6.215 1.00 0.22 O ATOM 569 CB ALA A 37 -17.328 -2.657 4.651 1.00 0.17 C ATOM 0 H ALA A 37 -19.658 -2.803 5.431 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.877 -4.709 4.384 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.283 -2.817 4.385 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.881 -2.331 3.770 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.393 -1.892 5.424 1.00 0.17 H new ATOM 575 N ASN A 38 -17.597 -4.114 7.552 1.00 0.20 N ATOM 576 CA ASN A 38 -16.963 -4.527 8.798 1.00 0.26 C ATOM 577 C ASN A 38 -17.118 -6.035 9.001 1.00 0.28 C ATOM 578 O ASN A 38 -16.259 -6.678 9.598 1.00 0.36 O ATOM 579 CB ASN A 38 -17.564 -3.742 9.994 1.00 0.31 C ATOM 580 CG ASN A 38 -16.925 -4.100 11.339 1.00 0.44 C ATOM 581 OD1 ASN A 38 -17.301 -5.087 11.970 1.00 1.03 O ATOM 582 ND2 ASN A 38 -16.000 -3.273 11.823 1.00 1.39 N ATOM 0 H ASN A 38 -18.431 -3.541 7.680 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.898 -4.300 8.742 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.443 -2.674 9.815 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.635 -3.937 10.046 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -15.585 -3.451 12.738 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -15.706 -2.462 11.279 1.00 1.39 H new ATOM 589 N ASP A 39 -18.172 -6.603 8.425 1.00 0.30 N ATOM 590 CA ASP A 39 -18.435 -8.036 8.536 1.00 0.38 C ATOM 591 C ASP A 39 -17.489 -8.837 7.645 1.00 0.33 C ATOM 592 O ASP A 39 -17.098 -9.955 7.985 1.00 0.41 O ATOM 593 CB ASP A 39 -19.887 -8.340 8.159 1.00 0.53 C ATOM 594 CG ASP A 39 -20.176 -9.831 8.053 1.00 1.14 C ATOM 595 OD1 ASP A 39 -20.343 -10.485 9.108 1.00 1.78 O ATOM 596 OD2 ASP A 39 -20.228 -10.354 6.919 1.00 1.77 O ATOM 0 H ASP A 39 -18.862 -6.092 7.874 1.00 0.30 H new ATOM 0 HA ASP A 39 -18.265 -8.330 9.572 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.550 -7.899 8.904 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -20.116 -7.863 7.206 1.00 0.53 H new ATOM 601 N ASN A 40 -17.075 -8.243 6.528 1.00 0.28 N ATOM 602 CA ASN A 40 -16.189 -8.928 5.596 1.00 0.34 C ATOM 603 C ASN A 40 -14.746 -8.471 5.783 1.00 0.32 C ATOM 604 O ASN A 40 -13.842 -8.931 5.086 1.00 0.46 O ATOM 605 CB ASN A 40 -16.644 -8.740 4.135 1.00 0.42 C ATOM 606 CG ASN A 40 -17.113 -7.336 3.808 1.00 0.92 C ATOM 607 OD1 ASN A 40 -16.319 -6.455 3.504 1.00 1.78 O ATOM 608 ND2 ASN A 40 -18.421 -7.127 3.835 1.00 0.78 N ATOM 0 H ASN A 40 -17.337 -7.297 6.250 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.240 -9.994 5.818 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -15.818 -8.999 3.472 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -17.453 -9.440 3.925 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -18.796 -6.208 3.598 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.053 -7.885 4.093 1.00 0.78 H new ATOM 615 N GLY A 41 -14.543 -7.600 6.769 1.00 0.25 N ATOM 616 CA GLY A 41 -13.213 -7.124 7.105 1.00 0.33 C ATOM 617 C GLY A 41 -12.555 -6.313 6.004 1.00 0.28 C ATOM 618 O GLY A 41 -11.347 -6.427 5.788 1.00 0.37 O ATOM 0 H GLY A 41 -15.288 -7.212 7.348 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -13.273 -6.514 8.006 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.580 -7.980 7.341 1.00 0.33 H new ATOM 622 N VAL A 42 -13.342 -5.520 5.289 1.00 0.23 N ATOM 623 CA VAL A 42 -12.812 -4.682 4.240 1.00 0.26 C ATOM 624 C VAL A 42 -12.889 -3.218 4.638 1.00 0.36 C ATOM 625 O VAL A 42 -13.973 -2.647 4.764 1.00 0.46 O ATOM 626 CB VAL A 42 -13.558 -4.895 2.910 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.044 -3.928 1.855 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.387 -6.330 2.446 1.00 0.29 C ATOM 0 H VAL A 42 -14.350 -5.445 5.422 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.769 -4.965 4.096 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.619 -4.701 3.064 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.581 -4.090 0.920 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.204 -2.904 2.192 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -11.979 -4.096 1.696 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -13.917 -6.474 1.505 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.328 -6.542 2.302 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -13.793 -7.006 3.198 1.00 0.29 H new ATOM 638 N ASP A 43 -11.736 -2.640 4.904 1.00 0.42 N ATOM 639 CA ASP A 43 -11.656 -1.233 5.262 1.00 0.55 C ATOM 640 C ASP A 43 -10.598 -0.551 4.392 1.00 0.47 C ATOM 641 O ASP A 43 -9.544 -1.125 4.118 1.00 0.68 O ATOM 642 CB ASP A 43 -11.340 -1.045 6.772 1.00 0.80 C ATOM 643 CG ASP A 43 -9.939 -1.482 7.160 1.00 1.29 C ATOM 644 OD1 ASP A 43 -9.139 -0.614 7.575 1.00 1.86 O ATOM 645 OD2 ASP A 43 -9.636 -2.690 7.076 1.00 1.80 O ATOM 0 H ASP A 43 -10.837 -3.122 4.880 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.626 -0.770 5.081 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -11.469 0.005 7.033 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -12.063 -1.611 7.359 1.00 0.80 H new ATOM 650 N GLY A 44 -10.905 0.650 3.916 1.00 0.43 N ATOM 651 CA GLY A 44 -10.014 1.354 3.018 1.00 0.37 C ATOM 652 C GLY A 44 -10.608 2.680 2.610 1.00 0.34 C ATOM 653 O GLY A 44 -11.628 3.089 3.167 1.00 0.38 O ATOM 0 H GLY A 44 -11.765 1.152 4.140 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.052 1.515 3.504 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -9.826 0.746 2.133 1.00 0.37 H new ATOM 657 N GLU A 45 -9.976 3.349 1.655 1.00 0.34 N ATOM 658 CA GLU A 45 -10.472 4.628 1.156 1.00 0.35 C ATOM 659 C GLU A 45 -11.873 4.471 0.562 1.00 0.29 C ATOM 660 O GLU A 45 -12.175 3.464 -0.089 1.00 0.43 O ATOM 661 CB GLU A 45 -9.521 5.206 0.099 1.00 0.45 C ATOM 662 CG GLU A 45 -8.488 6.185 0.648 1.00 1.27 C ATOM 663 CD GLU A 45 -7.474 5.541 1.574 1.00 2.01 C ATOM 664 OE1 GLU A 45 -6.283 5.467 1.201 1.00 2.79 O ATOM 665 OE2 GLU A 45 -7.851 5.131 2.690 1.00 2.57 O ATOM 0 H GLU A 45 -9.117 3.028 1.209 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.522 5.318 1.998 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.000 4.384 -0.391 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.111 5.711 -0.666 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -7.962 6.651 -0.185 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -9.004 6.981 1.185 1.00 1.27 H new ATOM 672 N TRP A 46 -12.703 5.491 0.763 1.00 0.22 N ATOM 673 CA TRP A 46 -14.084 5.480 0.275 1.00 0.24 C ATOM 674 C TRP A 46 -14.292 6.526 -0.817 1.00 0.28 C ATOM 675 O TRP A 46 -13.743 7.628 -0.752 1.00 0.41 O ATOM 676 CB TRP A 46 -15.094 5.734 1.420 1.00 0.31 C ATOM 677 CG TRP A 46 -15.512 4.488 2.153 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.679 3.578 2.736 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.856 4.015 2.399 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.404 2.569 3.312 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.738 2.812 3.122 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.149 4.479 2.083 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.843 2.072 3.531 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.241 3.736 2.497 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.079 2.547 3.211 1.00 0.35 C ATOM 0 H TRP A 46 -12.444 6.341 1.263 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.262 4.488 -0.139 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.653 6.432 2.132 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -15.981 6.216 1.009 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.601 3.644 2.742 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.013 1.765 3.804 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.285 5.396 1.529 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.725 1.152 4.084 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.237 4.082 2.263 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.953 1.991 3.516 1.00 0.35 H new ATOM 696 N THR A 47 -15.077 6.159 -1.818 1.00 0.29 N ATOM 697 CA THR A 47 -15.426 7.047 -2.921 1.00 0.35 C ATOM 698 C THR A 47 -16.915 6.932 -3.226 1.00 0.31 C ATOM 699 O THR A 47 -17.552 5.945 -2.850 1.00 0.28 O ATOM 700 CB THR A 47 -14.608 6.718 -4.188 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.476 5.297 -4.327 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.239 7.373 -4.128 1.00 0.63 C ATOM 0 H THR A 47 -15.494 5.231 -1.890 1.00 0.29 H new ATOM 0 HA THR A 47 -15.190 8.068 -2.620 1.00 0.35 H new ATOM 0 HB THR A 47 -15.135 7.112 -5.057 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.957 5.094 -5.133 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.679 7.128 -5.030 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.356 8.454 -4.055 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.698 7.007 -3.255 1.00 0.63 H new ATOM 710 N TYR A 48 -17.480 7.939 -3.880 1.00 0.38 N ATOM 711 CA TYR A 48 -18.901 7.925 -4.195 1.00 0.37 C ATOM 712 C TYR A 48 -19.188 8.561 -5.553 1.00 0.42 C ATOM 713 O TYR A 48 -18.706 9.658 -5.852 1.00 0.51 O ATOM 714 CB TYR A 48 -19.695 8.643 -3.090 1.00 0.41 C ATOM 715 CG TYR A 48 -21.146 8.947 -3.436 1.00 0.44 C ATOM 716 CD1 TYR A 48 -22.082 7.926 -3.582 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.579 10.259 -3.604 1.00 1.15 C ATOM 718 CE1 TYR A 48 -23.402 8.206 -3.891 1.00 1.18 C ATOM 719 CE2 TYR A 48 -22.898 10.545 -3.911 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.806 9.516 -4.053 1.00 0.61 C ATOM 721 OH TYR A 48 -25.119 9.796 -4.366 1.00 0.70 O ATOM 0 H TYR A 48 -16.980 8.769 -4.200 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.218 6.884 -4.248 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.673 8.029 -2.190 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.190 9.579 -2.850 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -21.773 6.899 -3.452 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -20.873 11.069 -3.493 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -24.114 7.402 -4.005 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.215 11.569 -4.039 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.158 10.600 -4.926 1.00 0.70 H new ATOM 731 N ASP A 49 -19.969 7.864 -6.373 1.00 0.42 N ATOM 732 CA ASP A 49 -20.408 8.416 -7.659 1.00 0.51 C ATOM 733 C ASP A 49 -21.891 8.730 -7.529 1.00 0.53 C ATOM 734 O ASP A 49 -22.662 7.884 -7.074 1.00 0.55 O ATOM 735 CB ASP A 49 -20.172 7.457 -8.850 1.00 0.57 C ATOM 736 CG ASP A 49 -20.636 8.070 -10.153 1.00 1.22 C ATOM 737 OD1 ASP A 49 -21.603 7.558 -10.743 1.00 2.07 O ATOM 738 OD2 ASP A 49 -20.015 9.065 -10.595 1.00 1.52 O ATOM 0 H ASP A 49 -20.311 6.923 -6.176 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.818 9.307 -7.876 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -19.112 7.213 -8.918 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.704 6.521 -8.677 1.00 0.57 H new ATOM 743 N ASP A 50 -22.305 9.920 -7.935 1.00 0.68 N ATOM 744 CA ASP A 50 -23.685 10.346 -7.685 1.00 0.76 C ATOM 745 C ASP A 50 -24.631 9.853 -8.768 1.00 0.73 C ATOM 746 O ASP A 50 -25.822 9.663 -8.515 1.00 0.84 O ATOM 747 CB ASP A 50 -23.787 11.874 -7.564 1.00 1.00 C ATOM 748 CG ASP A 50 -25.176 12.309 -7.144 1.00 1.56 C ATOM 749 OD1 ASP A 50 -25.734 11.708 -6.202 1.00 2.28 O ATOM 750 OD2 ASP A 50 -25.709 13.264 -7.751 1.00 2.15 O ATOM 0 H ASP A 50 -21.725 10.599 -8.428 1.00 0.68 H new ATOM 0 HA ASP A 50 -23.983 9.898 -6.737 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -23.058 12.231 -6.837 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.535 12.333 -8.520 1.00 1.00 H new ATOM 755 N ALA A 51 -24.100 9.599 -9.954 1.00 0.70 N ATOM 756 CA ALA A 51 -24.921 9.132 -11.064 1.00 0.78 C ATOM 757 C ALA A 51 -25.378 7.694 -10.840 1.00 0.75 C ATOM 758 O ALA A 51 -26.453 7.296 -11.288 1.00 0.91 O ATOM 759 CB ALA A 51 -24.158 9.252 -12.375 1.00 0.91 C ATOM 0 H ALA A 51 -23.110 9.707 -10.174 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.809 9.762 -11.118 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.785 8.899 -13.194 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.890 10.295 -12.546 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -23.252 8.648 -12.325 1.00 0.91 H new ATOM 765 N THR A 52 -24.566 6.917 -10.139 1.00 0.63 N ATOM 766 CA THR A 52 -24.884 5.514 -9.896 1.00 0.65 C ATOM 767 C THR A 52 -25.219 5.219 -8.430 1.00 0.55 C ATOM 768 O THR A 52 -25.624 4.102 -8.104 1.00 0.62 O ATOM 769 CB THR A 52 -23.711 4.617 -10.326 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.481 5.152 -9.817 1.00 1.06 O ATOM 771 CG2 THR A 52 -23.637 4.508 -11.841 1.00 1.19 C ATOM 0 H THR A 52 -23.686 7.230 -9.729 1.00 0.63 H new ATOM 0 HA THR A 52 -25.772 5.297 -10.491 1.00 0.65 H new ATOM 0 HB THR A 52 -23.873 3.619 -9.918 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.225 5.939 -10.342 1.00 1.06 H new ATOM 0 HG21 THR A 52 -22.799 3.868 -12.119 1.00 1.19 H new ATOM 0 HG22 THR A 52 -24.564 4.078 -12.221 1.00 1.19 H new ATOM 0 HG23 THR A 52 -23.495 5.500 -12.271 1.00 1.19 H new ATOM 779 N LYS A 53 -25.044 6.216 -7.550 1.00 0.47 N ATOM 780 CA LYS A 53 -25.277 6.030 -6.101 1.00 0.46 C ATOM 781 C LYS A 53 -24.420 4.882 -5.578 1.00 0.39 C ATOM 782 O LYS A 53 -24.776 4.189 -4.623 1.00 0.49 O ATOM 783 CB LYS A 53 -26.757 5.763 -5.794 1.00 0.59 C ATOM 784 CG LYS A 53 -27.645 7.006 -5.834 1.00 0.81 C ATOM 785 CD LYS A 53 -27.836 7.549 -7.244 1.00 0.87 C ATOM 786 CE LYS A 53 -28.626 8.850 -7.236 1.00 1.57 C ATOM 787 NZ LYS A 53 -27.887 9.939 -6.543 1.00 2.08 N ATOM 0 H LYS A 53 -24.744 7.156 -7.809 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.994 6.954 -5.597 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.139 5.036 -6.511 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.834 5.308 -4.807 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.619 6.765 -5.407 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.205 7.782 -5.207 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.863 7.715 -7.706 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -28.356 6.810 -7.853 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -28.841 9.151 -8.261 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -29.585 8.690 -6.743 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -28.373 10.845 -6.703 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -27.852 9.740 -5.523 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -26.919 9.995 -6.918 1.00 2.08 H new ATOM 801 N THR A 54 -23.260 4.743 -6.179 1.00 0.34 N ATOM 802 CA THR A 54 -22.348 3.662 -5.866 1.00 0.31 C ATOM 803 C THR A 54 -21.188 4.114 -4.971 1.00 0.28 C ATOM 804 O THR A 54 -20.380 4.965 -5.354 1.00 0.35 O ATOM 805 CB THR A 54 -21.781 3.024 -7.155 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.863 2.565 -7.975 1.00 0.51 O ATOM 807 CG2 THR A 54 -20.867 1.842 -6.824 1.00 0.41 C ATOM 0 H THR A 54 -22.920 5.378 -6.901 1.00 0.34 H new ATOM 0 HA THR A 54 -22.930 2.922 -5.317 1.00 0.31 H new ATOM 0 HB THR A 54 -21.199 3.778 -7.685 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.505 2.162 -8.793 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.481 1.411 -7.748 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.035 2.186 -6.209 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.433 1.086 -6.279 1.00 0.41 H new ATOM 815 N TYR A 55 -21.165 3.579 -3.757 1.00 0.21 N ATOM 816 CA TYR A 55 -20.043 3.766 -2.844 1.00 0.21 C ATOM 817 C TYR A 55 -18.990 2.711 -3.153 1.00 0.21 C ATOM 818 O TYR A 55 -19.327 1.575 -3.478 1.00 0.24 O ATOM 819 CB TYR A 55 -20.461 3.655 -1.360 1.00 0.24 C ATOM 820 CG TYR A 55 -21.163 4.882 -0.819 1.00 0.30 C ATOM 821 CD1 TYR A 55 -20.452 5.976 -0.342 1.00 1.14 C ATOM 822 CD2 TYR A 55 -22.552 4.941 -0.795 1.00 1.06 C ATOM 823 CE1 TYR A 55 -21.105 7.093 0.146 1.00 1.19 C ATOM 824 CE2 TYR A 55 -23.209 6.055 -0.310 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.429 7.144 0.190 1.00 0.56 C ATOM 826 OH TYR A 55 -23.135 8.236 0.646 1.00 0.70 O ATOM 0 H TYR A 55 -21.919 3.006 -3.378 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.651 4.772 -2.992 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.118 2.793 -1.243 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.573 3.463 -0.758 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -19.372 5.954 -0.352 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -23.126 4.103 -1.161 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -20.528 7.936 0.496 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -24.288 6.102 -0.308 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.599 8.002 1.477 1.00 0.70 H new ATOM 836 N THR A 56 -17.731 3.090 -3.124 1.00 0.24 N ATOM 837 CA THR A 56 -16.666 2.138 -3.385 1.00 0.29 C ATOM 838 C THR A 56 -15.632 2.154 -2.262 1.00 0.25 C ATOM 839 O THR A 56 -15.220 3.219 -1.802 1.00 0.28 O ATOM 840 CB THR A 56 -15.987 2.416 -4.747 1.00 0.38 C ATOM 841 OG1 THR A 56 -16.984 2.425 -5.775 1.00 0.96 O ATOM 842 CG2 THR A 56 -14.930 1.361 -5.072 1.00 0.74 C ATOM 0 H THR A 56 -17.418 4.040 -2.925 1.00 0.24 H new ATOM 0 HA THR A 56 -17.115 1.146 -3.426 1.00 0.29 H new ATOM 0 HB THR A 56 -15.490 3.384 -4.691 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.560 2.602 -6.641 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.474 1.588 -6.036 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.163 1.364 -4.298 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.398 0.378 -5.115 1.00 0.74 H new ATOM 850 N VAL A 57 -15.282 0.967 -1.776 1.00 0.24 N ATOM 851 CA VAL A 57 -14.268 0.838 -0.733 1.00 0.23 C ATOM 852 C VAL A 57 -13.053 0.118 -1.309 1.00 0.24 C ATOM 853 O VAL A 57 -13.150 -1.006 -1.803 1.00 0.30 O ATOM 854 CB VAL A 57 -14.783 0.120 0.564 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.257 -1.309 0.306 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.694 0.127 1.632 1.00 0.27 C ATOM 0 H VAL A 57 -15.684 0.082 -2.086 1.00 0.24 H new ATOM 0 HA VAL A 57 -13.998 1.845 -0.415 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.650 0.681 0.914 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.601 -1.753 1.240 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.076 -1.296 -0.413 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.432 -1.899 -0.094 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.060 -0.373 2.528 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -12.814 -0.397 1.258 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.428 1.156 1.874 1.00 0.27 H new ATOM 866 N THR A 58 -11.935 0.823 -1.350 1.00 0.26 N ATOM 867 CA THR A 58 -10.718 0.286 -1.938 1.00 0.30 C ATOM 868 C THR A 58 -9.744 -0.178 -0.860 1.00 0.32 C ATOM 869 O THR A 58 -9.315 0.609 -0.014 1.00 0.36 O ATOM 870 CB THR A 58 -10.046 1.346 -2.825 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.049 2.003 -3.607 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.013 0.718 -3.752 1.00 0.52 C ATOM 0 H THR A 58 -11.844 1.770 -0.983 1.00 0.26 H new ATOM 0 HA THR A 58 -10.991 -0.575 -2.547 1.00 0.30 H new ATOM 0 HB THR A 58 -9.534 2.062 -2.182 1.00 0.40 H new ATOM 0 HG1 THR A 58 -10.628 2.682 -4.175 1.00 0.41 H new ATOM 0 HG21 THR A 58 -8.556 1.494 -4.366 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.243 0.225 -3.158 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.500 -0.015 -4.396 1.00 0.52 H new ATOM 880 N GLU A 59 -9.421 -1.461 -0.891 1.00 0.35 N ATOM 881 CA GLU A 59 -8.501 -2.049 0.075 1.00 0.42 C ATOM 882 C GLU A 59 -7.055 -1.788 -0.375 1.00 0.53 C ATOM 883 O GLU A 59 -6.631 -2.297 -1.419 1.00 0.75 O ATOM 884 CB GLU A 59 -8.763 -3.565 0.171 1.00 0.44 C ATOM 885 CG GLU A 59 -8.137 -4.296 1.360 1.00 0.78 C ATOM 886 CD GLU A 59 -6.696 -4.701 1.133 1.00 1.79 C ATOM 887 OE1 GLU A 59 -5.788 -3.911 1.450 1.00 2.34 O ATOM 888 OE2 GLU A 59 -6.470 -5.828 0.638 1.00 2.56 O ATOM 0 H GLU A 59 -9.784 -2.121 -1.579 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.655 -1.599 1.056 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -9.841 -3.723 0.204 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -8.400 -4.032 -0.745 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -8.191 -3.654 2.239 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -8.726 -5.187 1.579 1.00 0.78 H new ATOM 1067 N LEU A 75 -11.283 -13.309 23.051 1.00 21.47 N ATOM 1068 CA LEU A 75 -12.350 -13.697 23.967 1.00 21.98 C ATOM 1069 C LEU A 75 -13.562 -12.790 23.763 1.00 22.04 C ATOM 1070 O LEU A 75 -13.409 -11.566 23.723 1.00 21.90 O ATOM 1071 CB LEU A 75 -11.883 -13.634 25.430 1.00 22.62 C ATOM 1072 CG LEU A 75 -11.045 -14.825 25.921 1.00 22.85 C ATOM 1073 CD1 LEU A 75 -11.791 -16.135 25.700 1.00 22.94 C ATOM 1074 CD2 LEU A 75 -9.685 -14.861 25.237 1.00 22.46 C ATOM 0 HA LEU A 75 -12.627 -14.728 23.749 1.00 21.98 H new ATOM 0 HB2 LEU A 75 -11.299 -12.724 25.565 1.00 22.62 H new ATOM 0 HB3 LEU A 75 -12.762 -13.546 26.068 1.00 22.62 H new ATOM 0 HG LEU A 75 -10.879 -14.698 26.991 1.00 22.85 H new ATOM 0 HD11 LEU A 75 -11.181 -16.966 26.054 1.00 22.94 H new ATOM 0 HD12 LEU A 75 -12.732 -16.115 26.250 1.00 22.94 H new ATOM 0 HD13 LEU A 75 -11.995 -16.263 24.637 1.00 22.94 H new ATOM 0 HD21 LEU A 75 -9.115 -15.714 25.605 1.00 22.46 H new ATOM 0 HD22 LEU A 75 -9.822 -14.953 24.160 1.00 22.46 H new ATOM 0 HD23 LEU A 75 -9.143 -13.941 25.456 1.00 22.46 H new ATOM 1086 N PRO A 76 -14.777 -13.360 23.600 1.00 22.33 N ATOM 1087 CA PRO A 76 -15.991 -12.560 23.400 1.00 22.55 C ATOM 1088 C PRO A 76 -16.280 -11.684 24.608 1.00 23.16 C ATOM 1089 O PRO A 76 -15.948 -12.057 25.735 1.00 23.54 O ATOM 1090 CB PRO A 76 -17.112 -13.614 23.226 1.00 22.90 C ATOM 1091 CG PRO A 76 -16.396 -14.871 22.872 1.00 22.69 C ATOM 1092 CD PRO A 76 -15.084 -14.803 23.632 1.00 22.58 C ATOM 0 HA PRO A 76 -15.901 -11.885 22.549 1.00 22.55 H new ATOM 0 HB2 PRO A 76 -17.690 -13.732 24.142 1.00 22.90 H new ATOM 0 HB3 PRO A 76 -17.812 -13.323 22.443 1.00 22.90 H new ATOM 0 HG2 PRO A 76 -16.974 -15.749 23.160 1.00 22.69 H new ATOM 0 HG3 PRO A 76 -16.227 -14.940 21.797 1.00 22.69 H new ATOM 0 HD2 PRO A 76 -15.185 -15.175 24.652 1.00 22.58 H new ATOM 0 HD3 PRO A 76 -14.305 -15.395 23.152 1.00 22.58 H new ATOM 1100 N PRO A 77 -16.861 -10.495 24.382 1.00 23.33 N ATOM 1101 CA PRO A 77 -17.208 -9.558 25.456 1.00 24.01 C ATOM 1102 C PRO A 77 -17.883 -10.246 26.633 1.00 24.77 C ATOM 1103 O PRO A 77 -18.861 -10.985 26.461 1.00 25.03 O ATOM 1104 CB PRO A 77 -18.168 -8.599 24.753 1.00 24.14 C ATOM 1105 CG PRO A 77 -17.617 -8.526 23.380 1.00 23.57 C ATOM 1106 CD PRO A 77 -17.205 -9.943 23.050 1.00 23.01 C ATOM 0 HA PRO A 77 -16.335 -9.074 25.893 1.00 24.01 H new ATOM 0 HB2 PRO A 77 -19.191 -8.975 24.758 1.00 24.14 H new ATOM 0 HB3 PRO A 77 -18.186 -7.621 25.234 1.00 24.14 H new ATOM 0 HG2 PRO A 77 -18.361 -8.157 22.675 1.00 23.57 H new ATOM 0 HG3 PRO A 77 -16.767 -7.846 23.331 1.00 23.57 H new ATOM 0 HD2 PRO A 77 -18.013 -10.501 22.576 1.00 23.01 H new ATOM 0 HD3 PRO A 77 -16.355 -9.970 22.368 1.00 23.01 H new ATOM 1114 N GLY A 78 -17.346 -10.020 27.821 1.00 25.21 N ATOM 1115 CA GLY A 78 -17.891 -10.669 29.000 1.00 26.01 C ATOM 1116 C GLY A 78 -17.118 -11.917 29.418 1.00 25.92 C ATOM 1117 O GLY A 78 -17.142 -12.287 30.593 1.00 26.59 O ATOM 0 H GLY A 78 -16.550 -9.405 27.993 1.00 25.21 H new ATOM 0 HA2 GLY A 78 -17.895 -9.959 29.827 1.00 26.01 H new ATOM 0 HA3 GLY A 78 -18.929 -10.941 28.809 1.00 26.01 H new ATOM 1121 N TRP A 79 -16.448 -12.575 28.467 1.00 25.19 N ATOM 1122 CA TRP A 79 -15.681 -13.794 28.775 1.00 25.16 C ATOM 1123 C TRP A 79 -14.229 -13.458 29.144 1.00 24.97 C ATOM 1124 O TRP A 79 -13.632 -12.546 28.564 1.00 24.43 O ATOM 1125 CB TRP A 79 -15.685 -14.759 27.572 1.00 24.58 C ATOM 1126 CG TRP A 79 -17.028 -15.364 27.279 1.00 24.92 C ATOM 1127 CD1 TRP A 79 -18.043 -14.802 26.558 1.00 24.92 C ATOM 1128 CD2 TRP A 79 -17.503 -16.655 27.697 1.00 25.44 C ATOM 1129 NE1 TRP A 79 -19.119 -15.654 26.510 1.00 25.41 N ATOM 1130 CE2 TRP A 79 -18.813 -16.797 27.205 1.00 25.73 C ATOM 1131 CE3 TRP A 79 -16.944 -17.700 28.445 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 -19.575 -17.942 27.435 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 -17.699 -18.834 28.672 1.00 26.34 C ATOM 1134 CH2 TRP A 79 -19.002 -18.948 28.173 1.00 26.61 C ATOM 0 H TRP A 79 -16.418 -12.291 27.488 1.00 25.19 H new ATOM 0 HA TRP A 79 -16.162 -14.273 29.628 1.00 25.16 H new ATOM 0 HB2 TRP A 79 -15.339 -14.223 26.688 1.00 24.58 H new ATOM 0 HB3 TRP A 79 -14.970 -15.560 27.760 1.00 24.58 H new ATOM 0 HD1 TRP A 79 -18.005 -13.828 26.093 1.00 24.92 H new ATOM 0 HE1 TRP A 79 -20.002 -15.468 26.035 1.00 25.41 H new ATOM 0 HE3 TRP A 79 -15.941 -17.620 28.837 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 -20.579 -18.034 27.047 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 -17.277 -19.647 29.244 1.00 26.34 H new ATOM 0 HH2 TRP A 79 -19.568 -19.846 28.373 1.00 26.61 H new ATOM 1145 N GLU A 80 -13.681 -14.169 30.133 1.00 25.51 N ATOM 1146 CA GLU A 80 -12.290 -14.011 30.525 1.00 25.50 C ATOM 1147 C GLU A 80 -11.585 -15.361 30.478 1.00 25.52 C ATOM 1148 O GLU A 80 -12.211 -16.411 30.655 1.00 25.91 O ATOM 1149 CB GLU A 80 -12.171 -13.416 31.933 1.00 26.28 C ATOM 1150 CG GLU A 80 -12.508 -11.936 32.013 1.00 26.33 C ATOM 1151 CD GLU A 80 -12.229 -11.357 33.385 1.00 26.69 C ATOM 1152 OE1 GLU A 80 -13.195 -11.089 34.130 1.00 26.95 O ATOM 1153 OE2 GLU A 80 -11.048 -11.165 33.726 1.00 26.80 O ATOM 0 H GLU A 80 -14.191 -14.865 30.678 1.00 25.51 H new ATOM 0 HA GLU A 80 -11.817 -13.323 29.824 1.00 25.50 H new ATOM 0 HB2 GLU A 80 -12.832 -13.965 32.604 1.00 26.28 H new ATOM 0 HB3 GLU A 80 -11.154 -13.566 32.294 1.00 26.28 H new ATOM 0 HG2 GLU A 80 -11.928 -11.393 31.267 1.00 26.33 H new ATOM 0 HG3 GLU A 80 -13.560 -11.791 31.767 1.00 26.33 H new ATOM 1160 N MET A 81 -10.288 -15.334 30.217 1.00 25.18 N ATOM 1161 CA MET A 81 -9.492 -16.549 30.155 1.00 25.27 C ATOM 1162 C MET A 81 -8.261 -16.394 31.046 1.00 25.77 C ATOM 1163 O MET A 81 -7.556 -15.388 30.958 1.00 25.60 O ATOM 1164 CB MET A 81 -9.086 -16.837 28.706 1.00 24.50 C ATOM 1165 CG MET A 81 -8.425 -18.191 28.502 1.00 24.68 C ATOM 1166 SD MET A 81 -6.689 -18.231 28.992 1.00 24.52 S ATOM 1167 CE MET A 81 -5.988 -17.021 27.875 1.00 24.27 C ATOM 0 H MET A 81 -9.761 -14.478 30.044 1.00 25.18 H new ATOM 0 HA MET A 81 -10.081 -17.392 30.515 1.00 25.27 H new ATOM 0 HB2 MET A 81 -9.972 -16.779 28.074 1.00 24.50 H new ATOM 0 HB3 MET A 81 -8.403 -16.057 28.370 1.00 24.50 H new ATOM 0 HG2 MET A 81 -8.972 -18.942 29.072 1.00 24.68 H new ATOM 0 HG3 MET A 81 -8.503 -18.469 27.451 1.00 24.68 H new ATOM 0 HE1 MET A 81 -5.082 -17.425 27.423 1.00 24.27 H new ATOM 0 HE2 MET A 81 -6.710 -16.786 27.093 1.00 24.27 H new ATOM 0 HE3 MET A 81 -5.744 -16.114 28.428 1.00 24.27 H new ATOM 1177 N LYS A 82 -7.985 -17.398 31.876 1.00 26.46 N ATOM 1178 CA LYS A 82 -6.883 -17.313 32.840 1.00 27.08 C ATOM 1179 C LYS A 82 -6.249 -18.699 33.041 1.00 27.55 C ATOM 1180 O LYS A 82 -6.881 -19.722 32.751 1.00 27.58 O ATOM 1181 CB LYS A 82 -7.383 -16.741 34.191 1.00 27.79 C ATOM 1182 CG LYS A 82 -8.059 -15.376 34.090 1.00 27.45 C ATOM 1183 CD LYS A 82 -8.735 -14.989 35.400 1.00 28.23 C ATOM 1184 CE LYS A 82 -9.746 -13.865 35.192 1.00 28.14 C ATOM 1185 NZ LYS A 82 -9.104 -12.581 34.797 1.00 28.22 N ATOM 0 H LYS A 82 -8.504 -18.276 31.903 1.00 26.46 H new ATOM 0 HA LYS A 82 -6.125 -16.637 32.445 1.00 27.08 H new ATOM 0 HB2 LYS A 82 -8.085 -17.448 34.633 1.00 27.79 H new ATOM 0 HB3 LYS A 82 -6.537 -16.663 34.874 1.00 27.79 H new ATOM 0 HG2 LYS A 82 -7.319 -14.621 33.824 1.00 27.45 H new ATOM 0 HG3 LYS A 82 -8.798 -15.393 33.289 1.00 27.45 H new ATOM 0 HD2 LYS A 82 -9.237 -15.859 35.823 1.00 28.23 H new ATOM 0 HD3 LYS A 82 -7.981 -14.674 36.121 1.00 28.23 H new ATOM 0 HE2 LYS A 82 -10.460 -14.161 34.423 1.00 28.14 H new ATOM 0 HE3 LYS A 82 -10.312 -13.716 36.112 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 -9.787 -11.998 34.273 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 -8.795 -12.071 35.649 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 -8.280 -12.776 34.193 1.00 28.22 H new ATOM 1199 N TYR A 83 -4.990 -18.724 33.489 1.00 27.96 N ATOM 1200 CA TYR A 83 -4.264 -19.985 33.707 1.00 28.50 C ATOM 1201 C TYR A 83 -4.053 -20.252 35.197 1.00 29.50 C ATOM 1202 O TYR A 83 -4.050 -19.326 36.011 1.00 29.77 O ATOM 1203 CB TYR A 83 -2.889 -19.967 33.011 1.00 28.32 C ATOM 1204 CG TYR A 83 -2.930 -20.223 31.519 1.00 27.47 C ATOM 1205 CD1 TYR A 83 -2.394 -21.379 30.963 1.00 27.19 C ATOM 1206 CD2 TYR A 83 -3.535 -19.306 30.667 1.00 27.03 C ATOM 1207 CE1 TYR A 83 -2.459 -21.609 29.600 1.00 26.48 C ATOM 1208 CE2 TYR A 83 -3.601 -19.529 29.304 1.00 26.32 C ATOM 1209 CZ TYR A 83 -2.946 -20.708 28.778 1.00 26.04 C ATOM 1210 OH TYR A 83 -3.131 -20.907 27.420 1.00 25.39 O ATOM 0 H TYR A 83 -4.450 -17.887 33.709 1.00 27.96 H new ATOM 0 HA TYR A 83 -4.877 -20.778 33.278 1.00 28.50 H new ATOM 0 HB2 TYR A 83 -2.421 -18.998 33.187 1.00 28.32 H new ATOM 0 HB3 TYR A 83 -2.251 -20.718 33.477 1.00 28.32 H new ATOM 0 HD1 TYR A 83 -1.920 -22.108 31.604 1.00 27.19 H new ATOM 0 HD2 TYR A 83 -3.961 -18.403 31.077 1.00 27.03 H new ATOM 0 HE1 TYR A 83 -2.102 -22.548 29.204 1.00 26.48 H new ATOM 0 HE2 TYR A 83 -4.125 -18.845 28.652 1.00 26.32 H new ATOM 0 HH TYR A 83 -3.506 -20.096 27.019 1.00 25.39 H new ATOM 1220 N THR A 84 -3.918 -21.525 35.550 1.00 30.09 N ATOM 1221 CA THR A 84 -3.623 -21.909 36.923 1.00 31.09 C ATOM 1222 C THR A 84 -2.105 -22.017 37.126 1.00 31.47 C ATOM 1223 O THR A 84 -1.328 -21.673 36.231 1.00 30.98 O ATOM 1224 CB THR A 84 -4.275 -23.257 37.302 1.00 31.69 C ATOM 1225 OG1 THR A 84 -3.777 -24.296 36.452 1.00 31.75 O ATOM 1226 CG2 THR A 84 -5.794 -23.202 37.197 1.00 31.35 C ATOM 0 H THR A 84 -4.008 -22.308 34.903 1.00 30.09 H new ATOM 0 HA THR A 84 -4.038 -21.134 37.568 1.00 31.09 H new ATOM 0 HB THR A 84 -4.015 -23.466 38.340 1.00 31.69 H new ATOM 0 HG1 THR A 84 -3.780 -25.146 36.939 1.00 31.75 H new ATOM 0 HG21 THR A 84 -6.213 -24.170 37.472 1.00 31.35 H new ATOM 0 HG22 THR A 84 -6.178 -22.436 37.871 1.00 31.35 H new ATOM 0 HG23 THR A 84 -6.079 -22.961 36.173 1.00 31.35 H new ATOM 1234 N SER A 85 -1.694 -22.570 38.266 1.00 32.40 N ATOM 1235 CA SER A 85 -0.280 -22.705 38.611 1.00 32.91 C ATOM 1236 C SER A 85 0.478 -23.592 37.619 1.00 33.07 C ATOM 1237 O SER A 85 1.520 -23.203 37.097 1.00 33.44 O ATOM 1238 CB SER A 85 -0.158 -23.287 40.006 1.00 33.91 C ATOM 1239 OG SER A 85 -1.189 -22.798 40.847 1.00 34.32 O ATOM 0 H SER A 85 -2.330 -22.936 38.975 1.00 32.40 H new ATOM 0 HA SER A 85 0.167 -21.712 38.570 1.00 32.91 H new ATOM 0 HB2 SER A 85 -0.208 -24.375 39.957 1.00 33.91 H new ATOM 0 HB3 SER A 85 0.814 -23.031 40.428 1.00 33.91 H new ATOM 0 HG SER A 85 -1.093 -23.187 41.742 1.00 34.32 H new ATOM 1245 N GLU A 86 -0.078 -24.762 37.331 1.00 32.82 N ATOM 1246 CA GLU A 86 0.582 -25.737 36.443 1.00 33.03 C ATOM 1247 C GLU A 86 0.312 -25.431 34.969 1.00 32.13 C ATOM 1248 O GLU A 86 0.630 -26.234 34.087 1.00 32.23 O ATOM 1249 CB GLU A 86 0.085 -27.153 36.768 1.00 33.61 C ATOM 1250 CG GLU A 86 0.285 -27.558 38.220 1.00 34.45 C ATOM 1251 CD GLU A 86 1.717 -27.404 38.684 1.00 34.93 C ATOM 1252 OE1 GLU A 86 2.582 -28.181 38.232 1.00 34.87 O ATOM 1253 OE2 GLU A 86 1.978 -26.513 39.515 1.00 35.43 O ATOM 0 H GLU A 86 -0.981 -25.067 37.693 1.00 32.82 H new ATOM 0 HA GLU A 86 1.656 -25.668 36.613 1.00 33.03 H new ATOM 0 HB2 GLU A 86 -0.975 -27.220 36.525 1.00 33.61 H new ATOM 0 HB3 GLU A 86 0.604 -27.866 36.127 1.00 33.61 H new ATOM 0 HG2 GLU A 86 -0.364 -26.952 38.853 1.00 34.45 H new ATOM 0 HG3 GLU A 86 -0.023 -28.596 38.348 1.00 34.45 H new ATOM 1260 N GLY A 87 -0.285 -24.278 34.704 1.00 31.30 N ATOM 1261 CA GLY A 87 -0.549 -23.884 33.333 1.00 30.42 C ATOM 1262 C GLY A 87 -1.851 -24.445 32.789 1.00 30.02 C ATOM 1263 O GLY A 87 -2.032 -24.533 31.576 1.00 29.44 O ATOM 0 H GLY A 87 -0.591 -23.609 35.411 1.00 31.30 H new ATOM 0 HA2 GLY A 87 -0.577 -22.796 33.274 1.00 30.42 H new ATOM 0 HA3 GLY A 87 0.275 -24.217 32.701 1.00 30.42 H new ATOM 1267 N VAL A 88 -2.751 -24.851 33.674 1.00 30.40 N ATOM 1268 CA VAL A 88 -4.045 -25.366 33.251 1.00 30.17 C ATOM 1269 C VAL A 88 -4.980 -24.205 32.940 1.00 29.38 C ATOM 1270 O VAL A 88 -5.172 -23.310 33.766 1.00 29.40 O ATOM 1271 CB VAL A 88 -4.679 -26.284 34.318 1.00 31.05 C ATOM 1272 CG1 VAL A 88 -6.072 -26.726 33.892 1.00 30.89 C ATOM 1273 CG2 VAL A 88 -3.804 -27.501 34.580 1.00 31.86 C ATOM 0 H VAL A 88 -2.610 -24.834 34.684 1.00 30.40 H new ATOM 0 HA VAL A 88 -3.889 -25.967 32.355 1.00 30.17 H new ATOM 0 HB VAL A 88 -4.761 -25.711 35.242 1.00 31.05 H new ATOM 0 HG11 VAL A 88 -6.499 -27.372 34.659 1.00 30.89 H new ATOM 0 HG12 VAL A 88 -6.707 -25.850 33.760 1.00 30.89 H new ATOM 0 HG13 VAL A 88 -6.008 -27.273 32.951 1.00 30.89 H new ATOM 0 HG21 VAL A 88 -4.274 -28.131 35.335 1.00 31.86 H new ATOM 0 HG22 VAL A 88 -3.685 -28.069 33.657 1.00 31.86 H new ATOM 0 HG23 VAL A 88 -2.826 -27.176 34.935 1.00 31.86 H new ATOM 1283 N ARG A 89 -5.499 -24.193 31.724 1.00 28.74 N ATOM 1284 CA ARG A 89 -6.362 -23.117 31.264 1.00 27.99 C ATOM 1285 C ARG A 89 -7.814 -23.346 31.679 1.00 28.23 C ATOM 1286 O ARG A 89 -8.371 -24.423 31.464 1.00 28.54 O ATOM 1287 CB ARG A 89 -6.265 -23.000 29.740 1.00 27.21 C ATOM 1288 CG ARG A 89 -7.153 -21.926 29.137 1.00 26.48 C ATOM 1289 CD ARG A 89 -6.967 -21.846 27.630 1.00 25.83 C ATOM 1290 NE ARG A 89 -7.961 -20.985 26.994 1.00 25.29 N ATOM 1291 CZ ARG A 89 -7.946 -20.643 25.702 1.00 24.70 C ATOM 1292 NH1 ARG A 89 -6.968 -21.061 24.907 1.00 24.55 N ATOM 1293 NH2 ARG A 89 -8.913 -19.878 25.206 1.00 24.34 N ATOM 0 H ARG A 89 -5.336 -24.924 31.031 1.00 28.74 H new ATOM 0 HA ARG A 89 -6.027 -22.189 31.728 1.00 27.99 H new ATOM 0 HB2 ARG A 89 -5.230 -22.793 29.469 1.00 27.21 H new ATOM 0 HB3 ARG A 89 -6.525 -23.961 29.296 1.00 27.21 H new ATOM 0 HG2 ARG A 89 -8.197 -22.141 29.367 1.00 26.48 H new ATOM 0 HG3 ARG A 89 -6.919 -20.961 29.587 1.00 26.48 H new ATOM 0 HD2 ARG A 89 -5.968 -21.469 27.409 1.00 25.83 H new ATOM 0 HD3 ARG A 89 -7.031 -22.847 27.204 1.00 25.83 H new ATOM 0 HE ARG A 89 -8.717 -20.621 27.574 1.00 25.29 H new ATOM 0 HH11 ARG A 89 -6.222 -21.647 25.281 1.00 24.55 H new ATOM 0 HH12 ARG A 89 -6.963 -20.796 23.922 1.00 24.55 H new ATOM 0 HH21 ARG A 89 -9.666 -19.552 25.811 1.00 24.34 H new ATOM 0 HH22 ARG A 89 -8.902 -19.617 24.220 1.00 24.34 H new ATOM 1307 N TYR A 90 -8.421 -22.318 32.257 1.00 28.18 N ATOM 1308 CA TYR A 90 -9.816 -22.378 32.674 1.00 28.46 C ATOM 1309 C TYR A 90 -10.518 -21.080 32.252 1.00 27.80 C ATOM 1310 O TYR A 90 -9.850 -20.086 31.959 1.00 27.31 O ATOM 1311 CB TYR A 90 -9.916 -22.629 34.190 1.00 29.43 C ATOM 1312 CG TYR A 90 -9.426 -21.498 35.072 1.00 29.57 C ATOM 1313 CD1 TYR A 90 -8.071 -21.314 35.324 1.00 29.65 C ATOM 1314 CD2 TYR A 90 -10.328 -20.631 35.673 1.00 29.70 C ATOM 1315 CE1 TYR A 90 -7.633 -20.294 36.149 1.00 29.86 C ATOM 1316 CE2 TYR A 90 -9.897 -19.609 36.495 1.00 29.91 C ATOM 1317 CZ TYR A 90 -8.549 -19.447 36.729 1.00 30.05 C ATOM 1318 OH TYR A 90 -8.112 -18.428 37.540 1.00 30.27 O ATOM 0 H TYR A 90 -7.965 -21.426 32.449 1.00 28.18 H new ATOM 0 HA TYR A 90 -10.318 -23.213 32.186 1.00 28.46 H new ATOM 0 HB2 TYR A 90 -10.957 -22.836 34.439 1.00 29.43 H new ATOM 0 HB3 TYR A 90 -9.347 -23.527 34.430 1.00 29.43 H new ATOM 0 HD1 TYR A 90 -7.350 -21.977 34.869 1.00 29.65 H new ATOM 0 HD2 TYR A 90 -11.386 -20.758 35.494 1.00 29.70 H new ATOM 0 HE1 TYR A 90 -6.578 -20.163 36.337 1.00 29.86 H new ATOM 0 HE2 TYR A 90 -10.612 -18.941 36.952 1.00 29.91 H new ATOM 0 HH TYR A 90 -8.882 -17.920 37.870 1.00 30.27 H new ATOM 1328 N PHE A 91 -11.850 -21.088 32.183 1.00 27.84 N ATOM 1329 CA PHE A 91 -12.578 -19.923 31.695 1.00 27.29 C ATOM 1330 C PHE A 91 -13.416 -19.284 32.800 1.00 27.91 C ATOM 1331 O PHE A 91 -13.846 -19.956 33.742 1.00 28.69 O ATOM 1332 CB PHE A 91 -13.453 -20.313 30.496 1.00 26.81 C ATOM 1333 CG PHE A 91 -12.676 -21.007 29.399 1.00 26.08 C ATOM 1334 CD1 PHE A 91 -11.916 -20.300 28.460 1.00 25.34 C ATOM 1335 CD2 PHE A 91 -12.722 -22.389 29.301 1.00 26.22 C ATOM 1336 CE1 PHE A 91 -11.228 -20.967 27.464 1.00 24.76 C ATOM 1337 CE2 PHE A 91 -12.034 -23.054 28.307 1.00 25.66 C ATOM 1338 CZ PHE A 91 -11.205 -22.227 27.371 1.00 24.89 C ATOM 0 H PHE A 91 -12.437 -21.877 32.455 1.00 27.84 H new ATOM 0 HA PHE A 91 -11.851 -19.178 31.370 1.00 27.29 H new ATOM 0 HB2 PHE A 91 -14.255 -20.968 30.836 1.00 26.81 H new ATOM 0 HB3 PHE A 91 -13.924 -19.418 30.090 1.00 26.81 H new ATOM 0 HD1 PHE A 91 -11.867 -19.222 28.514 1.00 25.34 H new ATOM 0 HD2 PHE A 91 -13.305 -22.954 30.013 1.00 26.22 H new ATOM 0 HE1 PHE A 91 -10.686 -20.386 26.733 1.00 24.76 H new ATOM 0 HE2 PHE A 91 -12.090 -24.128 28.207 1.00 25.66 H new ATOM 0 HZ PHE A 91 -10.592 -22.705 26.622 1.00 24.89 H new ATOM 1348 N VAL A 92 -13.630 -17.977 32.677 1.00 27.61 N ATOM 1349 CA VAL A 92 -14.352 -17.207 33.683 1.00 28.23 C ATOM 1350 C VAL A 92 -15.376 -16.273 33.033 1.00 27.94 C ATOM 1351 O VAL A 92 -15.049 -15.562 32.082 1.00 27.26 O ATOM 1352 CB VAL A 92 -13.368 -16.339 34.518 1.00 28.37 C ATOM 1353 CG1 VAL A 92 -14.083 -15.621 35.656 1.00 29.13 C ATOM 1354 CG2 VAL A 92 -12.214 -17.171 35.058 1.00 28.67 C ATOM 0 H VAL A 92 -13.309 -17.425 31.881 1.00 27.61 H new ATOM 0 HA VAL A 92 -14.864 -17.921 34.328 1.00 28.23 H new ATOM 0 HB VAL A 92 -12.959 -15.585 33.846 1.00 28.37 H new ATOM 0 HG11 VAL A 92 -13.365 -15.024 36.218 1.00 29.13 H new ATOM 0 HG12 VAL A 92 -14.855 -14.969 35.247 1.00 29.13 H new ATOM 0 HG13 VAL A 92 -14.542 -16.355 36.318 1.00 29.13 H new ATOM 0 HG21 VAL A 92 -11.545 -16.534 35.637 1.00 28.67 H new ATOM 0 HG22 VAL A 92 -12.604 -17.963 35.698 1.00 28.67 H new ATOM 0 HG23 VAL A 92 -11.664 -17.614 34.227 1.00 28.67 H new ATOM 1364 N ASP A 93 -16.614 -16.289 33.523 1.00 28.50 N ATOM 1365 CA ASP A 93 -17.635 -15.353 33.036 1.00 28.42 C ATOM 1366 C ASP A 93 -17.593 -14.087 33.906 1.00 28.86 C ATOM 1367 O ASP A 93 -17.833 -14.165 35.106 1.00 29.70 O ATOM 1368 CB ASP A 93 -19.053 -15.969 33.087 1.00 29.01 C ATOM 1369 CG ASP A 93 -19.562 -16.407 31.728 1.00 28.68 C ATOM 1370 OD1 ASP A 93 -20.139 -15.571 31.005 1.00 28.33 O ATOM 1371 OD2 ASP A 93 -19.355 -17.587 31.366 1.00 28.82 O ATOM 0 H ASP A 93 -16.936 -16.930 34.248 1.00 28.50 H new ATOM 0 HA ASP A 93 -17.418 -15.116 31.994 1.00 28.42 H new ATOM 0 HB2 ASP A 93 -19.046 -16.827 33.759 1.00 29.01 H new ATOM 0 HB3 ASP A 93 -19.744 -15.240 33.509 1.00 29.01 H new ATOM 1376 N HIS A 94 -17.307 -12.922 33.314 1.00 28.36 N ATOM 1377 CA HIS A 94 -17.167 -11.683 34.082 1.00 28.81 C ATOM 1378 C HIS A 94 -18.529 -11.123 34.489 1.00 29.31 C ATOM 1379 O HIS A 94 -18.638 -10.374 35.461 1.00 29.90 O ATOM 1380 CB HIS A 94 -16.385 -10.648 33.251 1.00 28.18 C ATOM 1381 CG HIS A 94 -16.064 -9.374 33.975 1.00 28.49 C ATOM 1382 ND1 HIS A 94 -14.806 -9.090 34.450 1.00 28.32 N ATOM 1383 CD2 HIS A 94 -16.830 -8.303 34.282 1.00 29.05 C ATOM 1384 CE1 HIS A 94 -14.805 -7.903 35.023 1.00 28.75 C ATOM 1385 NE2 HIS A 94 -16.023 -7.398 34.934 1.00 29.20 N ATOM 0 H HIS A 94 -17.169 -12.813 32.309 1.00 28.36 H new ATOM 0 HA HIS A 94 -16.617 -11.904 34.997 1.00 28.81 H new ATOM 0 HB2 HIS A 94 -15.453 -11.102 32.914 1.00 28.18 H new ATOM 0 HB3 HIS A 94 -16.963 -10.407 32.359 1.00 28.18 H new ATOM 0 HD1 HIS A 94 -13.996 -9.705 34.371 1.00 28.32 H new ATOM 0 HD2 HIS A 94 -17.879 -8.180 34.058 1.00 29.05 H new ATOM 0 HE1 HIS A 94 -13.954 -7.425 35.486 1.00 28.75 H new ATOM 1394 N ASN A 95 -19.570 -11.537 33.782 1.00 29.17 N ATOM 1395 CA ASN A 95 -20.921 -11.045 34.027 1.00 29.71 C ATOM 1396 C ASN A 95 -21.541 -11.720 35.245 1.00 30.73 C ATOM 1397 O ASN A 95 -22.102 -11.054 36.111 1.00 31.42 O ATOM 1398 CB ASN A 95 -21.802 -11.263 32.783 1.00 29.28 C ATOM 1399 CG ASN A 95 -21.756 -12.697 32.292 1.00 29.19 C ATOM 1400 OD1 ASN A 95 -22.552 -13.536 32.709 1.00 29.80 O ATOM 1401 ND2 ASN A 95 -20.826 -12.986 31.399 1.00 28.49 N ATOM 0 H ASN A 95 -19.505 -12.219 33.026 1.00 29.17 H new ATOM 0 HA ASN A 95 -20.860 -9.976 34.232 1.00 29.71 H new ATOM 0 HB2 ASN A 95 -22.832 -10.994 33.018 1.00 29.28 H new ATOM 0 HB3 ASN A 95 -21.473 -10.597 31.985 1.00 29.28 H new ATOM 0 HD21 ASN A 95 -20.750 -13.934 31.030 1.00 28.49 H new ATOM 0 HD22 ASN A 95 -20.184 -12.261 31.078 1.00 28.49 H new ATOM 1408 N THR A 96 -21.429 -13.037 35.316 1.00 30.87 N ATOM 1409 CA THR A 96 -21.964 -13.778 36.443 1.00 31.86 C ATOM 1410 C THR A 96 -20.893 -13.955 37.517 1.00 32.23 C ATOM 1411 O THR A 96 -21.197 -14.337 38.650 1.00 33.14 O ATOM 1412 CB THR A 96 -22.515 -15.152 36.005 1.00 31.96 C ATOM 1413 OG1 THR A 96 -21.570 -15.805 35.152 1.00 31.19 O ATOM 1414 CG2 THR A 96 -23.836 -15.007 35.265 1.00 32.02 C ATOM 0 H THR A 96 -20.973 -13.612 34.607 1.00 30.87 H new ATOM 0 HA THR A 96 -22.792 -13.203 36.858 1.00 31.86 H new ATOM 0 HB THR A 96 -22.682 -15.747 36.903 1.00 31.96 H new ATOM 0 HG1 THR A 96 -21.924 -16.677 34.879 1.00 31.19 H new ATOM 0 HG21 THR A 96 -24.198 -15.992 34.970 1.00 32.02 H new ATOM 0 HG22 THR A 96 -24.568 -14.532 35.918 1.00 32.02 H new ATOM 0 HG23 THR A 96 -23.690 -14.393 34.376 1.00 32.02 H new ATOM 1422 N ARG A 97 -19.641 -13.644 37.147 1.00 31.56 N ATOM 1423 CA ARG A 97 -18.493 -13.713 38.070 1.00 31.87 C ATOM 1424 C ARG A 97 -18.292 -15.144 38.525 1.00 32.27 C ATOM 1425 O ARG A 97 -17.846 -15.409 39.641 1.00 33.03 O ATOM 1426 CB ARG A 97 -18.716 -12.812 39.280 1.00 32.70 C ATOM 1427 CG ARG A 97 -19.336 -11.476 38.933 1.00 32.43 C ATOM 1428 CD ARG A 97 -19.808 -10.771 40.189 1.00 33.36 C ATOM 1429 NE ARG A 97 -20.635 -11.658 41.012 1.00 33.97 N ATOM 1430 CZ ARG A 97 -20.540 -11.753 42.335 1.00 34.73 C ATOM 1431 NH1 ARG A 97 -19.774 -10.912 43.015 1.00 35.00 N ATOM 1432 NH2 ARG A 97 -21.240 -12.676 42.978 1.00 35.29 N ATOM 0 H ARG A 97 -19.395 -13.339 36.205 1.00 31.56 H new ATOM 0 HA ARG A 97 -17.603 -13.368 37.544 1.00 31.87 H new ATOM 0 HB2 ARG A 97 -19.359 -13.328 39.993 1.00 32.70 H new ATOM 0 HB3 ARG A 97 -17.761 -12.642 39.777 1.00 32.70 H new ATOM 0 HG2 ARG A 97 -18.608 -10.855 38.411 1.00 32.43 H new ATOM 0 HG3 ARG A 97 -20.175 -11.623 38.253 1.00 32.43 H new ATOM 0 HD2 ARG A 97 -18.947 -10.433 40.765 1.00 33.36 H new ATOM 0 HD3 ARG A 97 -20.379 -9.883 39.919 1.00 33.36 H new ATOM 0 HE ARG A 97 -21.327 -12.239 40.540 1.00 33.97 H new ATOM 0 HH11 ARG A 97 -19.253 -10.186 42.524 1.00 35.00 H new ATOM 0 HH12 ARG A 97 -19.706 -10.991 44.030 1.00 35.00 H new ATOM 0 HH21 ARG A 97 -21.848 -13.309 42.458 1.00 35.29 H new ATOM 0 HH22 ARG A 97 -21.171 -12.753 43.993 1.00 35.29 H new ATOM 1446 N THR A 98 -18.538 -16.047 37.609 1.00 31.75 N ATOM 1447 CA THR A 98 -18.452 -17.472 37.896 1.00 32.09 C ATOM 1448 C THR A 98 -17.263 -18.097 37.176 1.00 31.35 C ATOM 1449 O THR A 98 -16.734 -17.522 36.221 1.00 30.48 O ATOM 1450 CB THR A 98 -19.744 -18.231 37.471 1.00 32.35 C ATOM 1451 OG1 THR A 98 -19.753 -19.546 38.050 1.00 32.15 O ATOM 1452 CG2 THR A 98 -19.832 -18.365 35.950 1.00 32.59 C ATOM 0 H THR A 98 -18.802 -15.826 36.649 1.00 31.75 H new ATOM 0 HA THR A 98 -18.328 -17.565 38.975 1.00 32.09 H new ATOM 0 HB THR A 98 -20.599 -17.656 37.827 1.00 32.35 H new ATOM 0 HG1 THR A 98 -20.569 -20.017 37.780 1.00 32.15 H new ATOM 0 HG21 THR A 98 -20.744 -18.899 35.684 1.00 32.59 H new ATOM 0 HG22 THR A 98 -19.847 -17.373 35.498 1.00 32.59 H new ATOM 0 HG23 THR A 98 -18.968 -18.918 35.583 1.00 32.59 H new ATOM 1460 N THR A 99 -16.852 -19.271 37.630 1.00 31.74 N ATOM 1461 CA THR A 99 -15.785 -20.004 36.986 1.00 31.18 C ATOM 1462 C THR A 99 -16.390 -21.235 36.315 1.00 31.15 C ATOM 1463 O THR A 99 -17.371 -21.785 36.818 1.00 31.92 O ATOM 1464 CB THR A 99 -14.716 -20.434 38.021 1.00 31.73 C ATOM 1465 OG1 THR A 99 -15.371 -20.976 39.177 1.00 32.77 O ATOM 1466 CG2 THR A 99 -13.832 -19.253 38.451 1.00 31.59 C ATOM 0 H THR A 99 -17.247 -19.735 38.448 1.00 31.74 H new ATOM 0 HA THR A 99 -15.297 -19.370 36.245 1.00 31.18 H new ATOM 0 HB THR A 99 -14.076 -21.183 37.554 1.00 31.73 H new ATOM 0 HG1 THR A 99 -14.699 -21.251 39.835 1.00 32.77 H new ATOM 0 HG21 THR A 99 -13.095 -19.596 39.177 1.00 31.59 H new ATOM 0 HG22 THR A 99 -13.320 -18.845 37.579 1.00 31.59 H new ATOM 0 HG23 THR A 99 -14.453 -18.479 38.902 1.00 31.59 H new ATOM 1474 N THR A 100 -15.888 -21.622 35.150 1.00 30.32 N ATOM 1475 CA THR A 100 -16.429 -22.782 34.462 1.00 30.31 C ATOM 1476 C THR A 100 -15.305 -23.583 33.807 1.00 29.79 C ATOM 1477 O THR A 100 -14.374 -23.018 33.225 1.00 29.19 O ATOM 1478 CB THR A 100 -17.513 -22.385 33.413 1.00 29.94 C ATOM 1479 OG1 THR A 100 -18.145 -23.557 32.878 1.00 30.23 O ATOM 1480 CG2 THR A 100 -16.931 -21.561 32.267 1.00 28.90 C ATOM 0 H THR A 100 -15.118 -21.157 34.669 1.00 30.32 H new ATOM 0 HA THR A 100 -16.919 -23.409 35.207 1.00 30.31 H new ATOM 0 HB THR A 100 -18.248 -21.771 33.934 1.00 29.94 H new ATOM 0 HG1 THR A 100 -18.824 -23.292 32.223 1.00 30.23 H new ATOM 0 HG21 THR A 100 -17.723 -21.308 31.562 1.00 28.90 H new ATOM 0 HG22 THR A 100 -16.492 -20.645 32.663 1.00 28.90 H new ATOM 0 HG23 THR A 100 -16.162 -22.140 31.756 1.00 28.90 H new ATOM 1488 N PHE A 101 -15.349 -24.894 33.986 1.00 30.11 N ATOM 1489 CA PHE A 101 -14.332 -25.766 33.426 1.00 29.74 C ATOM 1490 C PHE A 101 -14.907 -26.584 32.279 1.00 29.28 C ATOM 1491 O PHE A 101 -15.593 -27.583 32.493 1.00 29.75 O ATOM 1492 CB PHE A 101 -13.771 -26.696 34.503 1.00 30.55 C ATOM 1493 CG PHE A 101 -12.277 -26.606 34.628 1.00 30.86 C ATOM 1494 CD1 PHE A 101 -11.465 -26.902 33.547 1.00 30.67 C ATOM 1495 CD2 PHE A 101 -11.685 -26.234 35.827 1.00 31.41 C ATOM 1496 CE1 PHE A 101 -10.090 -26.829 33.654 1.00 31.03 C ATOM 1497 CE2 PHE A 101 -10.307 -26.159 35.938 1.00 31.76 C ATOM 1498 CZ PHE A 101 -9.510 -26.457 34.850 1.00 31.57 C ATOM 0 H PHE A 101 -16.077 -25.375 34.514 1.00 30.11 H new ATOM 0 HA PHE A 101 -13.522 -25.145 33.043 1.00 29.74 H new ATOM 0 HB2 PHE A 101 -14.227 -26.450 35.462 1.00 30.55 H new ATOM 0 HB3 PHE A 101 -14.051 -27.724 34.271 1.00 30.55 H new ATOM 0 HD1 PHE A 101 -11.912 -27.194 32.608 1.00 30.67 H new ATOM 0 HD2 PHE A 101 -12.304 -26.001 36.680 1.00 31.41 H new ATOM 0 HE1 PHE A 101 -9.469 -27.063 32.802 1.00 31.03 H new ATOM 0 HE2 PHE A 101 -9.855 -25.868 36.875 1.00 31.76 H new ATOM 0 HZ PHE A 101 -8.435 -26.399 34.935 1.00 31.57 H new