USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 607 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 83 SER OG : rot -74:sc= 1.46 USER MOD Set 1.2: A 85 THR OG1 : rot -18:sc= 0.0823 USER MOD Set 1.3: A 86 THR OG1 : rot 180:sc= 0.955 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 75:sc= 0.229 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.359 USER MOD Single : A 19 THR OG1 : rot -85:sc= 0.705 USER MOD Single : A 25 SER OG : rot 170:sc= 0.0664 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 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 40 ASN : amide:sc= -0.0549 K(o=-0.055,f=-1.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 50 ASN : amide:sc= -0.772 X(o=-0.77,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 0.0429 (180deg=0.028) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -45:sc= 0.00819 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.644 K(o=-0.64,f=-3.6!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc=-0.00458 K(o=-0.0046,f=-0.76) USER MOD Single : A 66 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.62) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.355 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -16:sc= 0.527! USER MOD Single : A 87 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.563 -0.331 0.886 1.00 0.00 N ATOM 2 CA ALA A 1 2.210 -0.299 -0.420 1.00 0.00 C ATOM 3 C ALA A 1 2.931 1.026 -0.642 1.00 0.00 C ATOM 4 O ALA A 1 2.302 2.082 -0.713 1.00 0.00 O ATOM 5 CB ALA A 1 1.187 -0.537 -1.521 1.00 0.00 C ATOM 0 H1 ALA A 1 1.080 -1.243 1.012 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.279 -0.213 1.631 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.868 0.440 0.948 1.00 0.00 H new ATOM 0 HA ALA A 1 2.953 -1.096 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.684 -0.510 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.720 -1.511 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.424 0.240 -1.483 1.00 0.00 H new ATOM 11 N ILE A 2 4.254 0.962 -0.752 1.00 0.00 N ATOM 12 CA ILE A 2 5.061 2.157 -0.967 1.00 0.00 C ATOM 13 C ILE A 2 4.937 2.652 -2.404 1.00 0.00 C ATOM 14 O ILE A 2 5.285 1.943 -3.348 1.00 0.00 O ATOM 15 CB ILE A 2 6.545 1.899 -0.650 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.715 1.507 0.819 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.378 3.130 -0.976 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.546 0.026 1.073 1.00 0.00 C ATOM 0 H ILE A 2 4.789 0.096 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 2 4.682 2.921 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 2 6.895 1.073 -1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.705 1.815 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.989 2.055 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.425 2.932 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.277 3.367 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.029 3.974 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.680 -0.179 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.547 -0.284 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.289 -0.529 0.500 1.00 0.00 H new ATOM 30 N SER A 3 4.442 3.876 -2.562 1.00 0.00 N ATOM 31 CA SER A 3 4.271 4.466 -3.885 1.00 0.00 C ATOM 32 C SER A 3 5.471 5.334 -4.252 1.00 0.00 C ATOM 33 O SER A 3 6.320 4.936 -5.049 1.00 0.00 O ATOM 34 CB SER A 3 2.990 5.300 -3.932 1.00 0.00 C ATOM 35 OG SER A 3 2.980 6.156 -5.062 1.00 0.00 O ATOM 0 H SER A 3 4.153 4.478 -1.791 1.00 0.00 H new ATOM 0 HA SER A 3 4.196 3.656 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.123 4.640 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.905 5.893 -3.022 1.00 0.00 H new ATOM 0 HG SER A 3 2.150 6.677 -5.070 1.00 0.00 H new ATOM 41 N CYS A 4 5.534 6.524 -3.663 1.00 0.00 N ATOM 42 CA CYS A 4 6.628 7.451 -3.926 1.00 0.00 C ATOM 43 C CYS A 4 6.498 8.704 -3.065 1.00 0.00 C ATOM 44 O CYS A 4 7.485 9.205 -2.528 1.00 0.00 O ATOM 45 CB CYS A 4 6.652 7.836 -5.407 1.00 0.00 C ATOM 46 SG CYS A 4 8.314 7.821 -6.152 1.00 0.00 S ATOM 0 H CYS A 4 4.840 6.869 -3.000 1.00 0.00 H new ATOM 0 HA CYS A 4 7.563 6.953 -3.672 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.011 7.149 -5.960 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.224 8.832 -5.519 1.00 0.00 H new ATOM 51 N GLY A 5 5.273 9.204 -2.938 1.00 0.00 N ATOM 52 CA GLY A 5 5.036 10.394 -2.142 1.00 0.00 C ATOM 53 C GLY A 5 5.557 10.256 -0.725 1.00 0.00 C ATOM 54 O GLY A 5 5.995 11.234 -0.120 1.00 0.00 O ATOM 0 H GLY A 5 4.440 8.806 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.514 11.249 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.966 10.602 -2.114 1.00 0.00 H new ATOM 58 N ALA A 6 5.509 9.038 -0.194 1.00 0.00 N ATOM 59 CA ALA A 6 5.980 8.776 1.160 1.00 0.00 C ATOM 60 C ALA A 6 7.503 8.745 1.215 1.00 0.00 C ATOM 61 O ALA A 6 8.105 9.080 2.235 1.00 0.00 O ATOM 62 CB ALA A 6 5.404 7.465 1.674 1.00 0.00 C ATOM 0 H ALA A 6 5.149 8.218 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 6 5.636 9.587 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.764 7.282 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.316 7.524 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.719 6.649 1.023 1.00 0.00 H new ATOM 68 N VAL A 7 8.123 8.339 0.111 1.00 0.00 N ATOM 69 CA VAL A 7 9.577 8.264 0.033 1.00 0.00 C ATOM 70 C VAL A 7 10.188 9.645 -0.179 1.00 0.00 C ATOM 71 O VAL A 7 11.151 10.020 0.490 1.00 0.00 O ATOM 72 CB VAL A 7 10.031 7.333 -1.106 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.533 7.105 -1.043 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.280 6.011 -1.045 1.00 0.00 C ATOM 0 H VAL A 7 7.640 8.057 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 7 9.924 7.858 0.983 1.00 0.00 H new ATOM 0 HB VAL A 7 9.800 7.812 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.835 6.445 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.050 8.060 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.792 6.647 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.613 5.365 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.477 5.524 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.210 6.195 -1.144 1.00 0.00 H new ATOM 84 N THR A 8 9.621 10.399 -1.116 1.00 0.00 N ATOM 85 CA THR A 8 10.109 11.738 -1.418 1.00 0.00 C ATOM 86 C THR A 8 9.921 12.673 -0.229 1.00 0.00 C ATOM 87 O THR A 8 10.664 13.641 -0.065 1.00 0.00 O ATOM 88 CB THR A 8 9.392 12.334 -2.644 1.00 0.00 C ATOM 89 OG1 THR A 8 9.289 11.349 -3.678 1.00 0.00 O ATOM 90 CG2 THR A 8 10.139 13.552 -3.169 1.00 0.00 C ATOM 0 H THR A 8 8.823 10.104 -1.679 1.00 0.00 H new ATOM 0 HA THR A 8 11.172 11.644 -1.638 1.00 0.00 H new ATOM 0 HB THR A 8 8.393 12.644 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.595 10.698 -3.442 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.614 13.956 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.190 14.312 -2.389 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.149 13.262 -3.460 1.00 0.00 H new ATOM 98 N SER A 9 8.924 12.377 0.599 1.00 0.00 N ATOM 99 CA SER A 9 8.637 13.194 1.772 1.00 0.00 C ATOM 100 C SER A 9 9.816 13.188 2.740 1.00 0.00 C ATOM 101 O SER A 9 10.242 14.237 3.224 1.00 0.00 O ATOM 102 CB SER A 9 7.379 12.685 2.479 1.00 0.00 C ATOM 103 OG SER A 9 7.439 12.937 3.872 1.00 0.00 O ATOM 0 H SER A 9 8.302 11.578 0.479 1.00 0.00 H new ATOM 0 HA SER A 9 8.468 14.218 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.499 13.170 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.268 11.615 2.304 1.00 0.00 H new ATOM 0 HG SER A 9 6.623 12.604 4.300 1.00 0.00 H new ATOM 109 N ASP A 10 10.339 11.998 3.018 1.00 0.00 N ATOM 110 CA ASP A 10 11.469 11.854 3.928 1.00 0.00 C ATOM 111 C ASP A 10 12.769 12.274 3.249 1.00 0.00 C ATOM 112 O ASP A 10 13.748 12.614 3.916 1.00 0.00 O ATOM 113 CB ASP A 10 11.578 10.408 4.415 1.00 0.00 C ATOM 114 CG ASP A 10 10.225 9.734 4.534 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.297 10.361 5.088 1.00 0.00 O ATOM 116 OD2 ASP A 10 10.094 8.581 4.074 1.00 0.00 O ATOM 0 H ASP A 10 9.998 11.120 2.626 1.00 0.00 H new ATOM 0 HA ASP A 10 11.300 12.506 4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.204 9.841 3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.076 10.391 5.384 1.00 0.00 H new ATOM 121 N LEU A 11 12.773 12.248 1.921 1.00 0.00 N ATOM 122 CA LEU A 11 13.953 12.626 1.152 1.00 0.00 C ATOM 123 C LEU A 11 14.212 14.126 1.252 1.00 0.00 C ATOM 124 O LEU A 11 15.361 14.568 1.263 1.00 0.00 O ATOM 125 CB LEU A 11 13.781 12.223 -0.314 1.00 0.00 C ATOM 126 CG LEU A 11 14.185 10.792 -0.669 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.349 10.273 -1.828 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.668 10.724 -1.006 1.00 0.00 C ATOM 0 H LEU A 11 11.972 11.969 1.354 1.00 0.00 H new ATOM 0 HA LEU A 11 14.812 12.100 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.735 12.362 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.366 12.907 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 11 14.000 10.157 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.651 9.253 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.295 10.284 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.501 10.909 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.938 9.698 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.878 11.372 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.252 11.053 -0.147 1.00 0.00 H new ATOM 140 N SER A 12 13.136 14.903 1.328 1.00 0.00 N ATOM 141 CA SER A 12 13.247 16.354 1.426 1.00 0.00 C ATOM 142 C SER A 12 14.145 16.752 2.594 1.00 0.00 C ATOM 143 O SER A 12 15.155 17.436 2.428 1.00 0.00 O ATOM 144 CB SER A 12 11.862 16.981 1.596 1.00 0.00 C ATOM 145 OG SER A 12 11.288 17.297 0.339 1.00 0.00 O ATOM 0 H SER A 12 12.178 14.552 1.324 1.00 0.00 H new ATOM 0 HA SER A 12 13.695 16.724 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.211 16.292 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.940 17.884 2.201 1.00 0.00 H new ATOM 0 HG SER A 12 10.403 17.695 0.474 1.00 0.00 H new ATOM 151 N PRO A 13 13.768 16.314 3.805 1.00 0.00 N ATOM 152 CA PRO A 13 14.525 16.612 5.024 1.00 0.00 C ATOM 153 C PRO A 13 15.864 15.883 5.068 1.00 0.00 C ATOM 154 O PRO A 13 16.795 16.314 5.750 1.00 0.00 O ATOM 155 CB PRO A 13 13.607 16.112 6.142 1.00 0.00 C ATOM 156 CG PRO A 13 12.769 15.060 5.502 1.00 0.00 C ATOM 157 CD PRO A 13 12.576 15.495 4.076 1.00 0.00 C ATOM 0 HA PRO A 13 14.775 17.670 5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.182 15.708 6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.993 16.919 6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.259 14.088 5.550 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.811 14.960 6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.513 14.642 3.401 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.658 16.069 3.952 1.00 0.00 H new ATOM 165 N CYS A 14 15.955 14.778 4.337 1.00 0.00 N ATOM 166 CA CYS A 14 17.179 13.988 4.293 1.00 0.00 C ATOM 167 C CYS A 14 18.162 14.566 3.278 1.00 0.00 C ATOM 168 O CYS A 14 19.350 14.240 3.293 1.00 0.00 O ATOM 169 CB CYS A 14 16.861 12.534 3.940 1.00 0.00 C ATOM 170 SG CYS A 14 16.219 11.554 5.335 1.00 0.00 S ATOM 0 H CYS A 14 15.195 14.409 3.766 1.00 0.00 H new ATOM 0 HA CYS A 14 17.640 14.022 5.280 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.129 12.519 3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.765 12.057 3.560 1.00 0.00 H new ATOM 175 N LEU A 15 17.658 15.424 2.398 1.00 0.00 N ATOM 176 CA LEU A 15 18.491 16.048 1.375 1.00 0.00 C ATOM 177 C LEU A 15 19.562 16.930 2.008 1.00 0.00 C ATOM 178 O LEU A 15 20.747 16.811 1.694 1.00 0.00 O ATOM 179 CB LEU A 15 17.628 16.877 0.423 1.00 0.00 C ATOM 180 CG LEU A 15 17.109 16.151 -0.819 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.279 17.090 -1.679 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.266 15.572 -1.620 1.00 0.00 C ATOM 0 H LEU A 15 16.677 15.704 2.372 1.00 0.00 H new ATOM 0 HA LEU A 15 18.985 15.257 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.772 17.259 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.208 17.741 0.098 1.00 0.00 H new ATOM 0 HG LEU A 15 16.470 15.329 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.919 16.555 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.429 17.455 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.893 17.933 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.878 15.059 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.931 16.377 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.819 14.865 -1.002 1.00 0.00 H new ATOM 194 N THR A 16 19.137 17.816 2.904 1.00 0.00 N ATOM 195 CA THR A 16 20.059 18.718 3.583 1.00 0.00 C ATOM 196 C THR A 16 21.225 17.952 4.199 1.00 0.00 C ATOM 197 O THR A 16 22.366 18.414 4.174 1.00 0.00 O ATOM 198 CB THR A 16 19.347 19.522 4.687 1.00 0.00 C ATOM 199 OG1 THR A 16 18.188 20.170 4.152 1.00 0.00 O ATOM 200 CG2 THR A 16 20.283 20.561 5.289 1.00 0.00 C ATOM 0 H THR A 16 18.160 17.928 3.176 1.00 0.00 H new ATOM 0 HA THR A 16 20.439 19.408 2.829 1.00 0.00 H new ATOM 0 HB THR A 16 19.045 18.829 5.472 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.740 20.677 4.861 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.758 21.116 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.150 20.062 5.722 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.612 21.249 4.510 1.00 0.00 H new ATOM 208 N TYR A 17 20.931 16.780 4.750 1.00 0.00 N ATOM 209 CA TYR A 17 21.954 15.950 5.374 1.00 0.00 C ATOM 210 C TYR A 17 22.748 15.181 4.322 1.00 0.00 C ATOM 211 O TYR A 17 23.969 15.054 4.418 1.00 0.00 O ATOM 212 CB TYR A 17 21.316 14.974 6.363 1.00 0.00 C ATOM 213 CG TYR A 17 22.320 14.246 7.228 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.411 14.913 7.771 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.178 12.891 7.502 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.332 14.252 8.562 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.093 12.222 8.292 1.00 0.00 C ATOM 218 CZ TYR A 17 24.168 12.907 8.820 1.00 0.00 C ATOM 219 OH TYR A 17 25.082 12.244 9.606 1.00 0.00 O ATOM 0 H TYR A 17 19.992 16.383 4.777 1.00 0.00 H new ATOM 0 HA TYR A 17 22.639 16.605 5.912 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.625 15.520 7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.727 14.242 5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.542 15.966 7.572 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.338 12.352 7.090 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.175 14.786 8.976 1.00 0.00 H new ATOM 0 HE2 TYR A 17 22.967 11.169 8.495 1.00 0.00 H new ATOM 0 HH TYR A 17 24.820 11.303 9.690 1.00 0.00 H new ATOM 229 N LEU A 18 22.045 14.669 3.317 1.00 0.00 N ATOM 230 CA LEU A 18 22.681 13.912 2.245 1.00 0.00 C ATOM 231 C LEU A 18 23.552 14.819 1.381 1.00 0.00 C ATOM 232 O LEU A 18 24.344 14.345 0.566 1.00 0.00 O ATOM 233 CB LEU A 18 21.623 13.227 1.380 1.00 0.00 C ATOM 234 CG LEU A 18 20.962 11.987 1.984 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.927 11.414 1.028 1.00 0.00 C ATOM 236 CD2 LEU A 18 22.010 10.939 2.329 1.00 0.00 C ATOM 0 H LEU A 18 21.034 14.765 3.223 1.00 0.00 H new ATOM 0 HA LEU A 18 23.317 13.152 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.844 13.954 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.084 12.944 0.434 1.00 0.00 H new ATOM 0 HG LEU A 18 20.454 12.281 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.467 10.532 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 18 19.160 12.163 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.411 11.136 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.522 10.064 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.546 10.649 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.714 11.352 3.052 1.00 0.00 H new ATOM 248 N THR A 19 23.401 16.127 1.565 1.00 0.00 N ATOM 249 CA THR A 19 24.173 17.100 0.804 1.00 0.00 C ATOM 250 C THR A 19 25.422 17.529 1.566 1.00 0.00 C ATOM 251 O THR A 19 26.312 18.170 1.009 1.00 0.00 O ATOM 252 CB THR A 19 23.333 18.349 0.473 1.00 0.00 C ATOM 253 OG1 THR A 19 22.522 18.705 1.597 1.00 0.00 O ATOM 254 CG2 THR A 19 22.449 18.100 -0.739 1.00 0.00 C ATOM 0 H THR A 19 22.750 16.537 2.235 1.00 0.00 H new ATOM 0 HA THR A 19 24.467 16.612 -0.125 1.00 0.00 H new ATOM 0 HB THR A 19 24.014 19.168 0.243 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.688 18.191 1.575 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.865 18.995 -0.954 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.072 17.858 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.775 17.268 -0.533 1.00 0.00 H new ATOM 262 N GLY A 20 25.481 17.171 2.845 1.00 0.00 N ATOM 263 CA GLY A 20 26.626 17.527 3.663 1.00 0.00 C ATOM 264 C GLY A 20 26.266 18.493 4.774 1.00 0.00 C ATOM 265 O GLY A 20 27.126 18.901 5.554 1.00 0.00 O ATOM 0 H GLY A 20 24.757 16.641 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.054 16.623 4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.395 17.973 3.032 1.00 0.00 H new ATOM 269 N GLY A 21 24.991 18.863 4.845 1.00 0.00 N ATOM 270 CA GLY A 21 24.543 19.786 5.871 1.00 0.00 C ATOM 271 C GLY A 21 24.452 19.136 7.237 1.00 0.00 C ATOM 272 O GLY A 21 24.928 18.020 7.450 1.00 0.00 O ATOM 0 H GLY A 21 24.261 18.540 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.229 20.631 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.566 20.184 5.596 1.00 0.00 H new ATOM 276 N PRO A 22 23.831 19.842 8.193 1.00 0.00 N ATOM 277 CA PRO A 22 23.667 19.347 9.563 1.00 0.00 C ATOM 278 C PRO A 22 22.683 18.185 9.645 1.00 0.00 C ATOM 279 O PRO A 22 21.652 18.183 8.974 1.00 0.00 O ATOM 280 CB PRO A 22 23.122 20.563 10.317 1.00 0.00 C ATOM 281 CG PRO A 22 22.451 21.386 9.273 1.00 0.00 C ATOM 282 CD PRO A 22 23.241 21.179 8.011 1.00 0.00 C ATOM 0 HA PRO A 22 24.600 18.959 9.971 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.421 20.264 11.097 1.00 0.00 H new ATOM 0 HB3 PRO A 22 23.923 21.118 10.805 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.414 21.077 9.139 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.436 22.439 9.556 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.604 21.220 7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.008 21.943 7.887 1.00 0.00 H new ATOM 290 N GLY A 23 23.008 17.197 10.473 1.00 0.00 N ATOM 291 CA GLY A 23 22.142 16.043 10.628 1.00 0.00 C ATOM 292 C GLY A 23 22.837 14.884 11.314 1.00 0.00 C ATOM 293 O GLY A 23 23.940 15.020 11.846 1.00 0.00 O ATOM 0 H GLY A 23 23.856 17.175 11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.262 16.328 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.790 15.723 9.647 1.00 0.00 H new ATOM 297 N PRO A 24 22.186 13.711 11.310 1.00 0.00 N ATOM 298 CA PRO A 24 20.873 13.537 10.681 1.00 0.00 C ATOM 299 C PRO A 24 19.766 14.261 11.440 1.00 0.00 C ATOM 300 O PRO A 24 19.650 14.134 12.659 1.00 0.00 O ATOM 301 CB PRO A 24 20.654 12.023 10.731 1.00 0.00 C ATOM 302 CG PRO A 24 21.481 11.558 11.879 1.00 0.00 C ATOM 303 CD PRO A 24 22.680 12.465 11.920 1.00 0.00 C ATOM 0 HA PRO A 24 20.845 13.953 9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.602 11.780 10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.965 11.547 9.801 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.919 11.611 12.812 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.782 10.519 11.747 1.00 0.00 H new ATOM 0 HD2 PRO A 24 23.027 12.627 12.941 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.518 12.049 11.361 1.00 0.00 H new ATOM 311 N SER A 25 18.955 15.022 10.712 1.00 0.00 N ATOM 312 CA SER A 25 17.859 15.769 11.317 1.00 0.00 C ATOM 313 C SER A 25 16.823 14.823 11.917 1.00 0.00 C ATOM 314 O SER A 25 16.780 13.632 11.609 1.00 0.00 O ATOM 315 CB SER A 25 17.197 16.676 10.278 1.00 0.00 C ATOM 316 OG SER A 25 17.296 16.120 8.979 1.00 0.00 O ATOM 0 H SER A 25 19.037 15.137 9.702 1.00 0.00 H new ATOM 0 HA SER A 25 18.270 16.385 12.117 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.148 16.823 10.535 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.670 17.658 10.294 1.00 0.00 H new ATOM 0 HG SER A 25 16.732 16.630 8.361 1.00 0.00 H new ATOM 322 N PRO A 26 15.967 15.366 12.795 1.00 0.00 N ATOM 323 CA PRO A 26 14.914 14.589 13.457 1.00 0.00 C ATOM 324 C PRO A 26 13.811 14.168 12.493 1.00 0.00 C ATOM 325 O PRO A 26 13.279 13.063 12.590 1.00 0.00 O ATOM 326 CB PRO A 26 14.365 15.559 14.507 1.00 0.00 C ATOM 327 CG PRO A 26 14.667 16.913 13.966 1.00 0.00 C ATOM 328 CD PRO A 26 15.960 16.779 13.210 1.00 0.00 C ATOM 0 HA PRO A 26 15.296 13.658 13.875 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.294 15.421 14.652 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.840 15.405 15.476 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.867 17.259 13.312 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.759 17.643 14.770 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.995 17.450 12.352 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.819 17.018 13.837 1.00 0.00 H new ATOM 336 N GLN A 27 13.473 15.056 11.563 1.00 0.00 N ATOM 337 CA GLN A 27 12.432 14.775 10.582 1.00 0.00 C ATOM 338 C GLN A 27 12.903 13.733 9.573 1.00 0.00 C ATOM 339 O GLN A 27 12.121 12.898 9.116 1.00 0.00 O ATOM 340 CB GLN A 27 12.027 16.059 9.855 1.00 0.00 C ATOM 341 CG GLN A 27 11.118 16.960 10.675 1.00 0.00 C ATOM 342 CD GLN A 27 11.218 18.417 10.265 1.00 0.00 C ATOM 343 OE1 GLN A 27 12.204 19.091 10.563 1.00 0.00 O ATOM 344 NE2 GLN A 27 10.195 18.911 9.578 1.00 0.00 N ATOM 0 H GLN A 27 13.905 15.975 11.469 1.00 0.00 H new ATOM 0 HA GLN A 27 11.566 14.377 11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.926 16.613 9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.522 15.797 8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.086 16.626 10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.374 16.865 11.730 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.397 18.316 9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.207 19.885 9.276 1.00 0.00 H new ATOM 353 N CYS A 28 14.185 13.787 9.228 1.00 0.00 N ATOM 354 CA CYS A 28 14.761 12.848 8.272 1.00 0.00 C ATOM 355 C CYS A 28 14.715 11.423 8.815 1.00 0.00 C ATOM 356 O CYS A 28 14.179 10.519 8.173 1.00 0.00 O ATOM 357 CB CYS A 28 16.205 13.237 7.951 1.00 0.00 C ATOM 358 SG CYS A 28 17.127 11.971 7.021 1.00 0.00 S ATOM 0 H CYS A 28 14.845 14.472 9.596 1.00 0.00 H new ATOM 0 HA CYS A 28 14.169 12.889 7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 28 16.201 14.163 7.377 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.731 13.442 8.884 1.00 0.00 H new ATOM 363 N CYS A 29 15.281 11.229 10.002 1.00 0.00 N ATOM 364 CA CYS A 29 15.306 9.915 10.632 1.00 0.00 C ATOM 365 C CYS A 29 13.899 9.332 10.730 1.00 0.00 C ATOM 366 O CYS A 29 13.671 8.172 10.389 1.00 0.00 O ATOM 367 CB CYS A 29 15.931 10.006 12.026 1.00 0.00 C ATOM 368 SG CYS A 29 17.726 9.698 12.057 1.00 0.00 S ATOM 0 H CYS A 29 15.729 11.966 10.547 1.00 0.00 H new ATOM 0 HA CYS A 29 15.912 9.254 10.012 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.736 10.997 12.436 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.438 9.287 12.681 1.00 0.00 H new ATOM 373 N GLY A 30 12.958 10.146 11.199 1.00 0.00 N ATOM 374 CA GLY A 30 11.586 9.694 11.334 1.00 0.00 C ATOM 375 C GLY A 30 11.056 9.061 10.063 1.00 0.00 C ATOM 376 O GLY A 30 10.517 7.956 10.089 1.00 0.00 O ATOM 0 H GLY A 30 13.122 11.110 11.488 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.523 8.973 12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.954 10.539 11.606 1.00 0.00 H new ATOM 380 N GLY A 31 11.209 9.765 8.945 1.00 0.00 N ATOM 381 CA GLY A 31 10.735 9.251 7.673 1.00 0.00 C ATOM 382 C GLY A 31 11.503 8.025 7.221 1.00 0.00 C ATOM 383 O GLY A 31 10.926 7.091 6.665 1.00 0.00 O ATOM 0 H GLY A 31 11.653 10.682 8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.677 9.003 7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.821 10.030 6.915 1.00 0.00 H new ATOM 387 N VAL A 32 12.811 8.028 7.458 1.00 0.00 N ATOM 388 CA VAL A 32 13.661 6.908 7.071 1.00 0.00 C ATOM 389 C VAL A 32 13.142 5.598 7.652 1.00 0.00 C ATOM 390 O VAL A 32 12.889 4.639 6.922 1.00 0.00 O ATOM 391 CB VAL A 32 15.115 7.121 7.532 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.970 5.913 7.179 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.689 8.389 6.916 1.00 0.00 C ATOM 0 H VAL A 32 13.305 8.794 7.916 1.00 0.00 H new ATOM 0 HA VAL A 32 13.637 6.854 5.983 1.00 0.00 H new ATOM 0 HB VAL A 32 15.121 7.236 8.616 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.994 6.082 7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.569 5.027 7.672 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.960 5.763 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.717 8.524 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.671 8.306 5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.091 9.246 7.224 1.00 0.00 H new ATOM 403 N LYS A 33 12.985 5.563 8.971 1.00 0.00 N ATOM 404 CA LYS A 33 12.494 4.371 9.652 1.00 0.00 C ATOM 405 C LYS A 33 11.104 3.992 9.152 1.00 0.00 C ATOM 406 O LYS A 33 10.704 2.829 9.219 1.00 0.00 O ATOM 407 CB LYS A 33 12.457 4.602 11.165 1.00 0.00 C ATOM 408 CG LYS A 33 13.819 4.495 11.830 1.00 0.00 C ATOM 409 CD LYS A 33 13.794 5.049 13.244 1.00 0.00 C ATOM 410 CE LYS A 33 15.102 4.780 13.972 1.00 0.00 C ATOM 411 NZ LYS A 33 14.881 4.088 15.272 1.00 0.00 N ATOM 0 H LYS A 33 13.191 6.347 9.590 1.00 0.00 H new ATOM 0 HA LYS A 33 13.177 3.550 9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.042 5.590 11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.782 3.876 11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.133 3.451 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.557 5.037 11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.609 6.123 13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.969 4.600 13.797 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.750 4.171 13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.621 5.722 14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.796 3.923 15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.284 4.680 15.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.408 3.177 15.104 1.00 0.00 H new ATOM 425 N LYS A 34 10.372 4.979 8.647 1.00 0.00 N ATOM 426 CA LYS A 34 9.027 4.749 8.132 1.00 0.00 C ATOM 427 C LYS A 34 9.077 4.072 6.766 1.00 0.00 C ATOM 428 O LYS A 34 8.227 3.241 6.443 1.00 0.00 O ATOM 429 CB LYS A 34 8.265 6.072 8.030 1.00 0.00 C ATOM 430 CG LYS A 34 6.755 5.907 8.045 1.00 0.00 C ATOM 431 CD LYS A 34 6.168 6.020 6.648 1.00 0.00 C ATOM 432 CE LYS A 34 4.681 5.701 6.640 1.00 0.00 C ATOM 433 NZ LYS A 34 3.866 6.848 7.127 1.00 0.00 N ATOM 0 H LYS A 34 10.688 5.947 8.583 1.00 0.00 H new ATOM 0 HA LYS A 34 8.506 4.090 8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.560 6.716 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.557 6.580 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.498 4.937 8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.311 6.666 8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.327 7.029 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.691 5.339 5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.371 5.439 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.493 4.829 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.858 6.591 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.144 7.082 8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.026 7.673 6.514 1.00 0.00 H new ATOM 447 N LEU A 35 10.076 4.432 5.968 1.00 0.00 N ATOM 448 CA LEU A 35 10.238 3.858 4.637 1.00 0.00 C ATOM 449 C LEU A 35 10.544 2.366 4.721 1.00 0.00 C ATOM 450 O LEU A 35 9.953 1.559 4.003 1.00 0.00 O ATOM 451 CB LEU A 35 11.356 4.579 3.881 1.00 0.00 C ATOM 452 CG LEU A 35 11.407 4.341 2.372 1.00 0.00 C ATOM 453 CD1 LEU A 35 12.114 5.492 1.674 1.00 0.00 C ATOM 454 CD2 LEU A 35 12.098 3.021 2.063 1.00 0.00 C ATOM 0 H LEU A 35 10.786 5.119 6.220 1.00 0.00 H new ATOM 0 HA LEU A 35 9.301 3.988 4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.254 5.650 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.311 4.275 4.309 1.00 0.00 H new ATOM 0 HG LEU A 35 10.385 4.289 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.141 5.305 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.576 6.420 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.132 5.577 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.125 2.868 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.116 3.043 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.549 2.204 2.531 1.00 0.00 H new ATOM 466 N LEU A 36 11.471 2.007 5.603 1.00 0.00 N ATOM 467 CA LEU A 36 11.855 0.611 5.783 1.00 0.00 C ATOM 468 C LEU A 36 10.769 -0.161 6.526 1.00 0.00 C ATOM 469 O LEU A 36 10.547 -1.343 6.267 1.00 0.00 O ATOM 470 CB LEU A 36 13.176 0.520 6.548 1.00 0.00 C ATOM 471 CG LEU A 36 14.228 1.574 6.199 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.542 1.270 6.901 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.430 1.648 4.693 1.00 0.00 C ATOM 0 H LEU A 36 11.970 2.663 6.204 1.00 0.00 H new ATOM 0 HA LEU A 36 11.982 0.164 4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.961 0.590 7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.607 -0.466 6.373 1.00 0.00 H new ATOM 0 HG LEU A 36 13.871 2.544 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.278 2.031 6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.387 1.270 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.905 0.291 6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.182 2.403 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.764 0.679 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.489 1.915 4.212 1.00 0.00 H new ATOM 485 N ALA A 37 10.095 0.517 7.449 1.00 0.00 N ATOM 486 CA ALA A 37 9.030 -0.104 8.227 1.00 0.00 C ATOM 487 C ALA A 37 7.767 -0.276 7.389 1.00 0.00 C ATOM 488 O ALA A 37 6.942 -1.146 7.665 1.00 0.00 O ATOM 489 CB ALA A 37 8.733 0.722 9.469 1.00 0.00 C ATOM 0 H ALA A 37 10.268 1.496 7.676 1.00 0.00 H new ATOM 0 HA ALA A 37 9.368 -1.093 8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.936 0.246 10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.630 0.789 10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.420 1.723 9.174 1.00 0.00 H new ATOM 495 N ALA A 38 7.624 0.559 6.366 1.00 0.00 N ATOM 496 CA ALA A 38 6.462 0.499 5.487 1.00 0.00 C ATOM 497 C ALA A 38 6.602 -0.628 4.469 1.00 0.00 C ATOM 498 O ALA A 38 5.643 -0.979 3.782 1.00 0.00 O ATOM 499 CB ALA A 38 6.266 1.831 4.779 1.00 0.00 C ATOM 0 H ALA A 38 8.298 1.285 6.125 1.00 0.00 H new ATOM 0 HA ALA A 38 5.584 0.294 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.395 1.771 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.112 2.617 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.150 2.060 4.184 1.00 0.00 H new ATOM 505 N ALA A 39 7.803 -1.190 4.377 1.00 0.00 N ATOM 506 CA ALA A 39 8.067 -2.278 3.444 1.00 0.00 C ATOM 507 C ALA A 39 8.634 -3.496 4.166 1.00 0.00 C ATOM 508 O ALA A 39 9.653 -3.404 4.850 1.00 0.00 O ATOM 509 CB ALA A 39 9.022 -1.817 2.352 1.00 0.00 C ATOM 0 H ALA A 39 8.608 -0.910 4.937 1.00 0.00 H new ATOM 0 HA ALA A 39 7.121 -2.568 2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.210 -2.640 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.578 -0.983 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.962 -1.498 2.802 1.00 0.00 H new ATOM 515 N ASN A 40 7.968 -4.635 4.009 1.00 0.00 N ATOM 516 CA ASN A 40 8.405 -5.870 4.648 1.00 0.00 C ATOM 517 C ASN A 40 8.734 -6.935 3.606 1.00 0.00 C ATOM 518 O ASN A 40 9.681 -7.706 3.766 1.00 0.00 O ATOM 519 CB ASN A 40 7.324 -6.388 5.599 1.00 0.00 C ATOM 520 CG ASN A 40 7.237 -5.574 6.875 1.00 0.00 C ATOM 521 OD1 ASN A 40 8.231 -5.009 7.333 1.00 0.00 O ATOM 522 ND2 ASN A 40 6.045 -5.509 7.456 1.00 0.00 N ATOM 0 H ASN A 40 7.123 -4.728 3.445 1.00 0.00 H new ATOM 0 HA ASN A 40 9.308 -5.654 5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.359 -6.369 5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.532 -7.428 5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.926 -4.975 8.317 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.249 -5.993 7.041 1.00 0.00 H new ATOM 529 N THR A 41 7.946 -6.971 2.536 1.00 0.00 N ATOM 530 CA THR A 41 8.152 -7.941 1.467 1.00 0.00 C ATOM 531 C THR A 41 9.137 -7.414 0.430 1.00 0.00 C ATOM 532 O THR A 41 9.752 -6.364 0.619 1.00 0.00 O ATOM 533 CB THR A 41 6.827 -8.295 0.767 1.00 0.00 C ATOM 534 OG1 THR A 41 6.365 -7.179 -0.002 1.00 0.00 O ATOM 535 CG2 THR A 41 5.766 -8.690 1.784 1.00 0.00 C ATOM 0 H THR A 41 7.159 -6.340 2.386 1.00 0.00 H new ATOM 0 HA THR A 41 8.561 -8.839 1.929 1.00 0.00 H new ATOM 0 HB THR A 41 7.007 -9.142 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.523 -7.413 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.839 -8.936 1.266 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.108 -9.558 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.590 -7.860 2.468 1.00 0.00 H new ATOM 543 N THR A 42 9.282 -8.149 -0.668 1.00 0.00 N ATOM 544 CA THR A 42 10.192 -7.756 -1.736 1.00 0.00 C ATOM 545 C THR A 42 9.557 -6.707 -2.642 1.00 0.00 C ATOM 546 O THR A 42 10.135 -5.653 -2.912 1.00 0.00 O ATOM 547 CB THR A 42 10.614 -8.967 -2.589 1.00 0.00 C ATOM 548 OG1 THR A 42 11.800 -9.558 -2.048 1.00 0.00 O ATOM 549 CG2 THR A 42 10.860 -8.553 -4.032 1.00 0.00 C ATOM 0 H THR A 42 8.780 -9.020 -0.841 1.00 0.00 H new ATOM 0 HA THR A 42 11.075 -7.332 -1.258 1.00 0.00 H new ATOM 0 HB THR A 42 9.804 -9.697 -2.570 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.061 -10.328 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.157 -9.425 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.946 -8.131 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.653 -7.806 -4.066 1.00 0.00 H new ATOM 557 N PRO A 43 8.340 -6.998 -3.124 1.00 0.00 N ATOM 558 CA PRO A 43 7.600 -6.091 -4.006 1.00 0.00 C ATOM 559 C PRO A 43 7.580 -4.660 -3.481 1.00 0.00 C ATOM 560 O PRO A 43 7.849 -3.714 -4.221 1.00 0.00 O ATOM 561 CB PRO A 43 6.186 -6.679 -4.012 1.00 0.00 C ATOM 562 CG PRO A 43 6.375 -8.125 -3.709 1.00 0.00 C ATOM 563 CD PRO A 43 7.592 -8.236 -2.844 1.00 0.00 C ATOM 0 HA PRO A 43 8.053 -6.024 -4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.554 -6.198 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.702 -6.537 -4.979 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.501 -8.529 -3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.501 -8.698 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.327 -8.313 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.178 -9.121 -3.091 1.00 0.00 H new ATOM 571 N ASP A 44 7.259 -4.509 -2.201 1.00 0.00 N ATOM 572 CA ASP A 44 7.206 -3.192 -1.576 1.00 0.00 C ATOM 573 C ASP A 44 8.588 -2.548 -1.547 1.00 0.00 C ATOM 574 O ASP A 44 8.740 -1.366 -1.857 1.00 0.00 O ATOM 575 CB ASP A 44 6.650 -3.300 -0.155 1.00 0.00 C ATOM 576 CG ASP A 44 5.141 -3.157 -0.111 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.484 -3.483 -1.122 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.618 -2.719 0.934 1.00 0.00 O ATOM 0 H ASP A 44 7.032 -5.282 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 44 6.544 -2.562 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.933 -4.263 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.103 -2.530 0.469 1.00 0.00 H new ATOM 583 N ARG A 45 9.593 -3.332 -1.171 1.00 0.00 N ATOM 584 CA ARG A 45 10.963 -2.838 -1.099 1.00 0.00 C ATOM 585 C ARG A 45 11.462 -2.417 -2.478 1.00 0.00 C ATOM 586 O ARG A 45 12.269 -1.496 -2.602 1.00 0.00 O ATOM 587 CB ARG A 45 11.885 -3.910 -0.516 1.00 0.00 C ATOM 588 CG ARG A 45 11.808 -4.022 0.998 1.00 0.00 C ATOM 589 CD ARG A 45 12.874 -3.174 1.674 1.00 0.00 C ATOM 590 NE ARG A 45 12.617 -3.010 3.103 1.00 0.00 N ATOM 591 CZ ARG A 45 12.930 -3.923 4.015 1.00 0.00 C ATOM 592 NH1 ARG A 45 13.507 -5.059 3.650 1.00 0.00 N ATOM 593 NH2 ARG A 45 12.665 -3.701 5.296 1.00 0.00 N ATOM 0 H ARG A 45 9.484 -4.312 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 45 10.974 -1.966 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.631 -4.874 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.913 -3.689 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.821 -3.707 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.929 -5.064 1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.850 -3.638 1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.914 -2.194 1.198 1.00 0.00 H new ATOM 0 HE ARG A 45 12.173 -2.147 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.712 -5.234 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.746 -5.758 4.353 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.220 -2.828 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.906 -4.403 5.996 1.00 0.00 H new ATOM 607 N GLN A 46 10.976 -3.099 -3.511 1.00 0.00 N ATOM 608 CA GLN A 46 11.375 -2.796 -4.880 1.00 0.00 C ATOM 609 C GLN A 46 10.863 -1.424 -5.306 1.00 0.00 C ATOM 610 O GLN A 46 11.583 -0.649 -5.934 1.00 0.00 O ATOM 611 CB GLN A 46 10.849 -3.868 -5.836 1.00 0.00 C ATOM 612 CG GLN A 46 11.814 -5.024 -6.044 1.00 0.00 C ATOM 613 CD GLN A 46 11.302 -6.038 -7.049 1.00 0.00 C ATOM 614 OE1 GLN A 46 10.505 -5.710 -7.928 1.00 0.00 O ATOM 615 NE2 GLN A 46 11.760 -7.278 -6.923 1.00 0.00 N ATOM 0 H GLN A 46 10.306 -3.864 -3.426 1.00 0.00 H new ATOM 0 HA GLN A 46 12.464 -2.786 -4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.907 -4.257 -5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.632 -3.408 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.774 -4.635 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.991 -5.521 -5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.420 -7.505 -6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.452 -8.004 -7.570 1.00 0.00 H new ATOM 624 N ALA A 47 9.614 -1.130 -4.959 1.00 0.00 N ATOM 625 CA ALA A 47 9.006 0.149 -5.304 1.00 0.00 C ATOM 626 C ALA A 47 9.779 1.308 -4.685 1.00 0.00 C ATOM 627 O ALA A 47 10.176 2.243 -5.380 1.00 0.00 O ATOM 628 CB ALA A 47 7.553 0.181 -4.854 1.00 0.00 C ATOM 0 H ALA A 47 9.004 -1.761 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 47 9.042 0.260 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.111 1.142 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.002 -0.620 -5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.504 0.044 -3.774 1.00 0.00 H new ATOM 634 N ALA A 48 9.988 1.241 -3.375 1.00 0.00 N ATOM 635 CA ALA A 48 10.715 2.285 -2.663 1.00 0.00 C ATOM 636 C ALA A 48 12.107 2.485 -3.253 1.00 0.00 C ATOM 637 O ALA A 48 12.489 3.602 -3.604 1.00 0.00 O ATOM 638 CB ALA A 48 10.811 1.946 -1.183 1.00 0.00 C ATOM 0 H ALA A 48 9.664 0.475 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 48 10.164 3.218 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.356 2.734 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.809 1.861 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.337 0.999 -1.060 1.00 0.00 H new ATOM 644 N CYS A 49 12.862 1.397 -3.359 1.00 0.00 N ATOM 645 CA CYS A 49 14.212 1.452 -3.906 1.00 0.00 C ATOM 646 C CYS A 49 14.238 2.243 -5.211 1.00 0.00 C ATOM 647 O CYS A 49 15.179 2.990 -5.477 1.00 0.00 O ATOM 648 CB CYS A 49 14.747 0.039 -4.142 1.00 0.00 C ATOM 649 SG CYS A 49 15.649 -0.662 -2.723 1.00 0.00 S ATOM 0 H CYS A 49 12.561 0.465 -3.073 1.00 0.00 H new ATOM 0 HA CYS A 49 14.850 1.958 -3.182 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.912 -0.617 -4.388 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.408 0.053 -5.008 1.00 0.00 H new ATOM 654 N ASN A 50 13.199 2.071 -6.021 1.00 0.00 N ATOM 655 CA ASN A 50 13.103 2.768 -7.299 1.00 0.00 C ATOM 656 C ASN A 50 12.969 4.273 -7.089 1.00 0.00 C ATOM 657 O ASN A 50 13.598 5.067 -7.790 1.00 0.00 O ATOM 658 CB ASN A 50 11.908 2.246 -8.100 1.00 0.00 C ATOM 659 CG ASN A 50 12.033 0.771 -8.428 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.135 0.257 -8.621 1.00 0.00 O ATOM 661 ND2 ASN A 50 10.900 0.082 -8.494 1.00 0.00 N ATOM 0 H ASN A 50 12.412 1.456 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 50 14.019 2.577 -7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.993 2.413 -7.532 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.818 2.815 -9.025 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.921 -0.914 -8.712 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.009 0.549 -8.327 1.00 0.00 H new ATOM 668 N CYS A 51 12.147 4.659 -6.119 1.00 0.00 N ATOM 669 CA CYS A 51 11.931 6.069 -5.815 1.00 0.00 C ATOM 670 C CYS A 51 13.152 6.671 -5.127 1.00 0.00 C ATOM 671 O CYS A 51 13.464 7.848 -5.309 1.00 0.00 O ATOM 672 CB CYS A 51 10.696 6.236 -4.926 1.00 0.00 C ATOM 673 SG CYS A 51 9.114 6.025 -5.804 1.00 0.00 S ATOM 0 H CYS A 51 11.619 4.015 -5.530 1.00 0.00 H new ATOM 0 HA CYS A 51 11.769 6.597 -6.755 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.747 5.513 -4.112 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.719 7.227 -4.473 1.00 0.00 H new ATOM 678 N LEU A 52 13.840 5.855 -4.335 1.00 0.00 N ATOM 679 CA LEU A 52 15.028 6.306 -3.619 1.00 0.00 C ATOM 680 C LEU A 52 16.216 6.441 -4.566 1.00 0.00 C ATOM 681 O LEU A 52 16.800 7.517 -4.698 1.00 0.00 O ATOM 682 CB LEU A 52 15.369 5.331 -2.491 1.00 0.00 C ATOM 683 CG LEU A 52 14.670 5.580 -1.154 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.030 4.494 -0.152 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.035 6.954 -0.609 1.00 0.00 C ATOM 0 H LEU A 52 13.595 4.878 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 52 14.814 7.286 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.125 4.322 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.446 5.360 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 52 13.593 5.551 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.523 4.688 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.717 3.524 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.108 4.490 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.529 7.114 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.113 7.012 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.725 7.721 -1.319 1.00 0.00 H new ATOM 697 N LYS A 53 16.568 5.342 -5.225 1.00 0.00 N ATOM 698 CA LYS A 53 17.684 5.337 -6.163 1.00 0.00 C ATOM 699 C LYS A 53 17.559 6.481 -7.165 1.00 0.00 C ATOM 700 O LYS A 53 18.544 7.139 -7.497 1.00 0.00 O ATOM 701 CB LYS A 53 17.747 4.000 -6.905 1.00 0.00 C ATOM 702 CG LYS A 53 19.158 3.576 -7.277 1.00 0.00 C ATOM 703 CD LYS A 53 19.602 2.359 -6.483 1.00 0.00 C ATOM 704 CE LYS A 53 19.601 2.638 -4.988 1.00 0.00 C ATOM 705 NZ LYS A 53 18.697 1.711 -4.252 1.00 0.00 N ATOM 0 H LYS A 53 16.096 4.443 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 53 18.604 5.474 -5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.297 3.227 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.146 4.069 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.203 3.352 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.847 4.401 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.939 1.521 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.602 2.063 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.615 2.541 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.289 3.667 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.953 1.704 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.713 2.030 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.794 0.751 -4.640 1.00 0.00 H new ATOM 719 N SER A 54 16.340 6.713 -7.641 1.00 0.00 N ATOM 720 CA SER A 54 16.086 7.776 -8.607 1.00 0.00 C ATOM 721 C SER A 54 16.107 9.142 -7.928 1.00 0.00 C ATOM 722 O SER A 54 16.420 10.154 -8.556 1.00 0.00 O ATOM 723 CB SER A 54 14.737 7.557 -9.295 1.00 0.00 C ATOM 724 OG SER A 54 14.663 8.280 -10.512 1.00 0.00 O ATOM 0 H SER A 54 15.513 6.179 -7.374 1.00 0.00 H new ATOM 0 HA SER A 54 16.877 7.749 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.593 6.494 -9.490 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.931 7.872 -8.632 1.00 0.00 H new ATOM 0 HG SER A 54 13.792 8.123 -10.934 1.00 0.00 H new ATOM 730 N ALA A 55 15.773 9.162 -6.642 1.00 0.00 N ATOM 731 CA ALA A 55 15.756 10.403 -5.877 1.00 0.00 C ATOM 732 C ALA A 55 17.172 10.876 -5.566 1.00 0.00 C ATOM 733 O ALA A 55 17.547 12.001 -5.894 1.00 0.00 O ATOM 734 CB ALA A 55 14.964 10.219 -4.591 1.00 0.00 C ATOM 0 H ALA A 55 15.511 8.333 -6.108 1.00 0.00 H new ATOM 0 HA ALA A 55 15.271 11.168 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.960 11.153 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.939 9.936 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.425 9.436 -3.989 1.00 0.00 H new ATOM 740 N ALA A 56 17.953 10.009 -4.929 1.00 0.00 N ATOM 741 CA ALA A 56 19.328 10.338 -4.574 1.00 0.00 C ATOM 742 C ALA A 56 20.185 10.535 -5.821 1.00 0.00 C ATOM 743 O ALA A 56 21.289 11.073 -5.749 1.00 0.00 O ATOM 744 CB ALA A 56 19.920 9.250 -3.692 1.00 0.00 C ATOM 0 H ALA A 56 17.657 9.074 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 56 19.319 11.276 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 56 20.947 9.509 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.329 9.159 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.909 8.301 -4.228 1.00 0.00 H new ATOM 750 N GLY A 57 19.668 10.095 -6.964 1.00 0.00 N ATOM 751 CA GLY A 57 20.399 10.232 -8.210 1.00 0.00 C ATOM 752 C GLY A 57 20.666 11.680 -8.570 1.00 0.00 C ATOM 753 O GLY A 57 21.506 11.971 -9.421 1.00 0.00 O ATOM 0 H GLY A 57 18.756 9.646 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.347 9.700 -8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 57 19.833 9.760 -9.013 1.00 0.00 H new ATOM 757 N SER A 58 19.948 12.591 -7.921 1.00 0.00 N ATOM 758 CA SER A 58 20.107 14.017 -8.182 1.00 0.00 C ATOM 759 C SER A 58 21.098 14.641 -7.204 1.00 0.00 C ATOM 760 O SER A 58 21.348 15.846 -7.240 1.00 0.00 O ATOM 761 CB SER A 58 18.757 14.730 -8.081 1.00 0.00 C ATOM 762 OG SER A 58 18.752 15.924 -8.844 1.00 0.00 O ATOM 0 H SER A 58 19.251 12.367 -7.211 1.00 0.00 H new ATOM 0 HA SER A 58 20.497 14.134 -9.193 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.965 14.068 -8.431 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.541 14.961 -7.038 1.00 0.00 H new ATOM 0 HG SER A 58 19.582 16.419 -8.682 1.00 0.00 H new ATOM 768 N ILE A 59 21.659 13.811 -6.330 1.00 0.00 N ATOM 769 CA ILE A 59 22.623 14.280 -5.343 1.00 0.00 C ATOM 770 C ILE A 59 24.029 14.334 -5.930 1.00 0.00 C ATOM 771 O ILE A 59 24.658 13.301 -6.162 1.00 0.00 O ATOM 772 CB ILE A 59 22.635 13.377 -4.095 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.213 13.190 -3.561 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.536 13.970 -3.021 1.00 0.00 C ATOM 775 CD1 ILE A 59 21.142 12.327 -2.321 1.00 0.00 C ATOM 0 H ILE A 59 21.462 12.811 -6.286 1.00 0.00 H new ATOM 0 HA ILE A 59 22.314 15.284 -5.053 1.00 0.00 H new ATOM 0 HB ILE A 59 23.030 12.400 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.786 14.168 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.597 12.743 -4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.534 13.321 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.552 14.057 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.168 14.957 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.105 12.238 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.539 11.337 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.731 12.784 -1.526 1.00 0.00 H new ATOM 787 N THR A 60 24.519 15.547 -6.168 1.00 0.00 N ATOM 788 CA THR A 60 25.852 15.737 -6.728 1.00 0.00 C ATOM 789 C THR A 60 26.929 15.477 -5.681 1.00 0.00 C ATOM 790 O THR A 60 26.860 15.986 -4.563 1.00 0.00 O ATOM 791 CB THR A 60 26.028 17.161 -7.287 1.00 0.00 C ATOM 792 OG1 THR A 60 27.379 17.353 -7.721 1.00 0.00 O ATOM 793 CG2 THR A 60 25.675 18.203 -6.236 1.00 0.00 C ATOM 0 H THR A 60 24.013 16.413 -5.982 1.00 0.00 H new ATOM 0 HA THR A 60 25.959 15.020 -7.542 1.00 0.00 H new ATOM 0 HB THR A 60 25.354 17.281 -8.135 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.483 18.260 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.807 19.201 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.637 18.073 -5.929 1.00 0.00 H new ATOM 0 HG23 THR A 60 26.327 18.083 -5.371 1.00 0.00 H new ATOM 801 N LYS A 61 27.927 14.681 -6.052 1.00 0.00 N ATOM 802 CA LYS A 61 29.022 14.354 -5.146 1.00 0.00 C ATOM 803 C LYS A 61 28.492 13.775 -3.838 1.00 0.00 C ATOM 804 O LYS A 61 28.936 14.157 -2.754 1.00 0.00 O ATOM 805 CB LYS A 61 29.865 15.599 -4.862 1.00 0.00 C ATOM 806 CG LYS A 61 30.852 15.931 -5.967 1.00 0.00 C ATOM 807 CD LYS A 61 32.146 16.498 -5.407 1.00 0.00 C ATOM 808 CE LYS A 61 32.637 17.681 -6.228 1.00 0.00 C ATOM 809 NZ LYS A 61 34.080 17.555 -6.574 1.00 0.00 N ATOM 0 H LYS A 61 28.000 14.251 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 61 29.647 13.602 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.201 16.450 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.411 15.453 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.068 15.033 -6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.404 16.651 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.991 16.810 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.910 15.720 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.049 17.757 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.477 18.603 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.376 18.380 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.643 17.508 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.229 16.689 -7.130 1.00 0.00 H new ATOM 823 N LEU A 62 27.543 12.853 -3.946 1.00 0.00 N ATOM 824 CA LEU A 62 26.953 12.220 -2.771 1.00 0.00 C ATOM 825 C LEU A 62 28.036 11.673 -1.846 1.00 0.00 C ATOM 826 O LEU A 62 29.030 11.111 -2.303 1.00 0.00 O ATOM 827 CB LEU A 62 26.010 11.093 -3.194 1.00 0.00 C ATOM 828 CG LEU A 62 25.421 10.251 -2.061 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.106 10.846 -1.582 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.223 8.812 -2.514 1.00 0.00 C ATOM 0 H LEU A 62 27.165 12.526 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 62 26.385 12.975 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.188 11.528 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.549 10.430 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 62 26.123 10.256 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.702 10.234 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.276 11.859 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.396 10.872 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.803 8.227 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.541 8.789 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.183 8.388 -2.808 1.00 0.00 H new ATOM 842 N ASN A 63 27.834 11.841 -0.543 1.00 0.00 N ATOM 843 CA ASN A 63 28.793 11.363 0.446 1.00 0.00 C ATOM 844 C ASN A 63 28.295 10.083 1.111 1.00 0.00 C ATOM 845 O ASN A 63 27.447 10.122 2.003 1.00 0.00 O ATOM 846 CB ASN A 63 29.043 12.437 1.506 1.00 0.00 C ATOM 847 CG ASN A 63 30.441 12.362 2.088 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.930 11.282 2.420 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.092 13.513 2.213 1.00 0.00 N ATOM 0 H ASN A 63 27.016 12.304 -0.148 1.00 0.00 H new ATOM 0 HA ASN A 63 29.729 11.145 -0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.889 13.422 1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.313 12.329 2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.037 13.525 2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.647 14.384 1.925 1.00 0.00 H new ATOM 856 N THR A 64 28.829 8.947 0.672 1.00 0.00 N ATOM 857 CA THR A 64 28.440 7.656 1.223 1.00 0.00 C ATOM 858 C THR A 64 28.598 7.635 2.739 1.00 0.00 C ATOM 859 O THR A 64 27.846 6.960 3.441 1.00 0.00 O ATOM 860 CB THR A 64 29.274 6.512 0.616 1.00 0.00 C ATOM 861 OG1 THR A 64 30.658 6.877 0.584 1.00 0.00 O ATOM 862 CG2 THR A 64 28.799 6.184 -0.792 1.00 0.00 C ATOM 0 H THR A 64 29.533 8.896 -0.064 1.00 0.00 H new ATOM 0 HA THR A 64 27.391 7.507 0.967 1.00 0.00 H new ATOM 0 HB THR A 64 29.146 5.628 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.181 6.143 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.403 5.373 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.753 5.878 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.900 7.066 -1.425 1.00 0.00 H new ATOM 870 N ASN A 65 29.579 8.380 3.237 1.00 0.00 N ATOM 871 CA ASN A 65 29.835 8.446 4.672 1.00 0.00 C ATOM 872 C ASN A 65 28.669 9.105 5.402 1.00 0.00 C ATOM 873 O ASN A 65 28.212 8.614 6.433 1.00 0.00 O ATOM 874 CB ASN A 65 31.126 9.221 4.945 1.00 0.00 C ATOM 875 CG ASN A 65 32.360 8.470 4.483 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.427 7.245 4.581 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.343 9.204 3.975 1.00 0.00 N ATOM 0 H ASN A 65 30.209 8.946 2.669 1.00 0.00 H new ATOM 0 HA ASN A 65 29.945 7.427 5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.081 10.186 4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.206 9.424 6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.198 8.755 3.646 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.243 10.217 3.913 1.00 0.00 H new ATOM 884 N ASN A 66 28.192 10.221 4.859 1.00 0.00 N ATOM 885 CA ASN A 66 27.079 10.948 5.459 1.00 0.00 C ATOM 886 C ASN A 66 25.765 10.201 5.248 1.00 0.00 C ATOM 887 O ASN A 66 24.940 10.109 6.156 1.00 0.00 O ATOM 888 CB ASN A 66 26.981 12.354 4.863 1.00 0.00 C ATOM 889 CG ASN A 66 28.244 13.164 5.083 1.00 0.00 C ATOM 890 OD1 ASN A 66 28.923 13.012 6.098 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.563 14.032 4.129 1.00 0.00 N ATOM 0 H ASN A 66 28.559 10.641 4.005 1.00 0.00 H new ATOM 0 HA ASN A 66 27.264 11.027 6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.782 12.280 3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.135 12.877 5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.401 14.606 4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.970 14.124 3.304 1.00 0.00 H new ATOM 898 N ALA A 67 25.580 9.669 4.045 1.00 0.00 N ATOM 899 CA ALA A 67 24.368 8.929 3.716 1.00 0.00 C ATOM 900 C ALA A 67 24.263 7.653 4.544 1.00 0.00 C ATOM 901 O ALA A 67 23.187 7.302 5.028 1.00 0.00 O ATOM 902 CB ALA A 67 24.338 8.600 2.231 1.00 0.00 C ATOM 0 H ALA A 67 26.254 9.736 3.282 1.00 0.00 H new ATOM 0 HA ALA A 67 23.511 9.558 3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.428 8.047 1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.359 9.524 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.206 7.993 1.975 1.00 0.00 H new ATOM 908 N ALA A 68 25.387 6.962 4.704 1.00 0.00 N ATOM 909 CA ALA A 68 25.421 5.725 5.475 1.00 0.00 C ATOM 910 C ALA A 68 25.363 6.010 6.972 1.00 0.00 C ATOM 911 O ALA A 68 24.977 5.150 7.762 1.00 0.00 O ATOM 912 CB ALA A 68 26.669 4.925 5.135 1.00 0.00 C ATOM 0 H ALA A 68 26.286 7.238 4.310 1.00 0.00 H new ATOM 0 HA ALA A 68 24.543 5.136 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.681 4.004 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.667 4.682 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.555 5.515 5.370 1.00 0.00 H new ATOM 918 N ALA A 69 25.751 7.222 7.354 1.00 0.00 N ATOM 919 CA ALA A 69 25.742 7.621 8.756 1.00 0.00 C ATOM 920 C ALA A 69 24.322 7.895 9.240 1.00 0.00 C ATOM 921 O ALA A 69 23.990 7.639 10.398 1.00 0.00 O ATOM 922 CB ALA A 69 26.619 8.847 8.962 1.00 0.00 C ATOM 0 H ALA A 69 26.076 7.945 6.712 1.00 0.00 H new ATOM 0 HA ALA A 69 26.145 6.797 9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.603 9.134 10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.642 8.617 8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.242 9.670 8.356 1.00 0.00 H new ATOM 928 N LEU A 70 23.489 8.419 8.347 1.00 0.00 N ATOM 929 CA LEU A 70 22.104 8.729 8.684 1.00 0.00 C ATOM 930 C LEU A 70 21.426 7.538 9.351 1.00 0.00 C ATOM 931 O LEU A 70 20.924 7.626 10.472 1.00 0.00 O ATOM 932 CB LEU A 70 21.331 9.132 7.426 1.00 0.00 C ATOM 933 CG LEU A 70 19.837 8.807 7.424 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.142 9.485 8.595 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.202 9.229 6.107 1.00 0.00 C ATOM 0 H LEU A 70 23.748 8.638 7.385 1.00 0.00 H new ATOM 0 HA LEU A 70 22.104 9.563 9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.449 10.206 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.791 8.641 6.568 1.00 0.00 H new ATOM 0 HG LEU A 70 19.718 7.729 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.079 9.242 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.579 9.134 9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.269 10.565 8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.139 8.990 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.331 10.302 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.681 8.697 5.285 1.00 0.00 H new ATOM 947 N PRO A 71 21.411 6.395 8.649 1.00 0.00 N ATOM 948 CA PRO A 71 20.800 5.162 9.156 1.00 0.00 C ATOM 949 C PRO A 71 21.589 4.557 10.312 1.00 0.00 C ATOM 950 O PRO A 71 21.024 4.219 11.352 1.00 0.00 O ATOM 951 CB PRO A 71 20.827 4.229 7.943 1.00 0.00 C ATOM 952 CG PRO A 71 21.953 4.728 7.106 1.00 0.00 C ATOM 953 CD PRO A 71 21.991 6.218 7.307 1.00 0.00 C ATOM 0 HA PRO A 71 19.801 5.336 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.986 3.193 8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.884 4.261 7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.895 4.270 7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.798 4.480 6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.009 6.605 7.255 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.412 6.741 6.546 1.00 0.00 H new ATOM 961 N GLY A 72 22.898 4.422 10.123 1.00 0.00 N ATOM 962 CA GLY A 72 23.743 3.857 11.159 1.00 0.00 C ATOM 963 C GLY A 72 23.655 4.626 12.462 1.00 0.00 C ATOM 964 O GLY A 72 23.872 4.068 13.538 1.00 0.00 O ATOM 0 H GLY A 72 23.388 4.694 9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.456 2.820 11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.777 3.848 10.815 1.00 0.00 H new ATOM 968 N LYS A 73 23.337 5.913 12.368 1.00 0.00 N ATOM 969 CA LYS A 73 23.221 6.762 13.547 1.00 0.00 C ATOM 970 C LYS A 73 21.907 6.504 14.277 1.00 0.00 C ATOM 971 O LYS A 73 21.885 6.329 15.495 1.00 0.00 O ATOM 972 CB LYS A 73 23.316 8.237 13.151 1.00 0.00 C ATOM 973 CG LYS A 73 24.741 8.720 12.941 1.00 0.00 C ATOM 974 CD LYS A 73 25.105 9.825 13.918 1.00 0.00 C ATOM 975 CE LYS A 73 26.140 10.771 13.329 1.00 0.00 C ATOM 976 NZ LYS A 73 26.447 11.900 14.250 1.00 0.00 N ATOM 0 H LYS A 73 23.155 6.391 11.486 1.00 0.00 H new ATOM 0 HA LYS A 73 24.043 6.519 14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.749 8.396 12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.846 8.843 13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.431 7.885 13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.856 9.083 11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.209 10.385 14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.493 9.386 14.837 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.055 10.219 13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 73 25.774 11.165 12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 27.156 12.522 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 25.579 12.442 14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 26.820 11.526 15.146 1.00 0.00 H new ATOM 990 N CYS A 74 20.812 6.480 13.523 1.00 0.00 N ATOM 991 CA CYS A 74 19.494 6.242 14.097 1.00 0.00 C ATOM 992 C CYS A 74 19.228 4.747 14.248 1.00 0.00 C ATOM 993 O CYS A 74 18.142 4.337 14.658 1.00 0.00 O ATOM 994 CB CYS A 74 18.411 6.878 13.222 1.00 0.00 C ATOM 995 SG CYS A 74 17.984 8.585 13.692 1.00 0.00 S ATOM 0 H CYS A 74 20.813 6.623 12.513 1.00 0.00 H new ATOM 0 HA CYS A 74 19.468 6.699 15.086 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.746 6.871 12.185 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.512 6.263 13.271 1.00 0.00 H new ATOM 1000 N GLY A 75 20.227 3.936 13.913 1.00 0.00 N ATOM 1001 CA GLY A 75 20.082 2.496 14.018 1.00 0.00 C ATOM 1002 C GLY A 75 19.010 1.953 13.096 1.00 0.00 C ATOM 1003 O GLY A 75 18.237 1.075 13.479 1.00 0.00 O ATOM 0 H GLY A 75 21.135 4.251 13.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.034 2.020 13.783 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.839 2.232 15.047 1.00 0.00 H new ATOM 1007 N VAL A 76 18.960 2.477 11.875 1.00 0.00 N ATOM 1008 CA VAL A 76 17.974 2.040 10.894 1.00 0.00 C ATOM 1009 C VAL A 76 18.553 2.061 9.484 1.00 0.00 C ATOM 1010 O VAL A 76 18.335 3.006 8.727 1.00 0.00 O ATOM 1011 CB VAL A 76 16.714 2.924 10.933 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.089 4.394 10.827 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.752 2.530 9.823 1.00 0.00 C ATOM 0 H VAL A 76 19.592 3.205 11.542 1.00 0.00 H new ATOM 0 HA VAL A 76 17.700 1.018 11.155 1.00 0.00 H new ATOM 0 HB VAL A 76 16.213 2.769 11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.185 5.003 10.856 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.737 4.665 11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.614 4.569 9.888 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.867 3.165 9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.241 2.654 8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.457 1.488 9.950 1.00 0.00 H new ATOM 1023 N ASN A 77 19.293 1.012 9.139 1.00 0.00 N ATOM 1024 CA ASN A 77 19.905 0.910 7.819 1.00 0.00 C ATOM 1025 C ASN A 77 19.174 -0.116 6.958 1.00 0.00 C ATOM 1026 O ASN A 77 18.269 -0.805 7.430 1.00 0.00 O ATOM 1027 CB ASN A 77 21.381 0.528 7.946 1.00 0.00 C ATOM 1028 CG ASN A 77 21.625 -0.475 9.056 1.00 0.00 C ATOM 1029 OD1 ASN A 77 21.961 -0.103 10.181 1.00 0.00 O ATOM 1030 ND2 ASN A 77 21.456 -1.755 8.745 1.00 0.00 N ATOM 0 H ASN A 77 19.483 0.221 9.755 1.00 0.00 H new ATOM 0 HA ASN A 77 19.829 1.884 7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 77 21.728 0.111 7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 77 21.971 1.425 8.135 1.00 0.00 H new ATOM 0 HD21 ASN A 77 21.605 -2.475 9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 77 21.177 -2.018 7.800 1.00 0.00 H new ATOM 1037 N ILE A 78 19.574 -0.213 5.695 1.00 0.00 N ATOM 1038 CA ILE A 78 18.959 -1.157 4.770 1.00 0.00 C ATOM 1039 C ILE A 78 19.933 -2.266 4.388 1.00 0.00 C ATOM 1040 O ILE A 78 21.152 -2.109 4.461 1.00 0.00 O ATOM 1041 CB ILE A 78 18.472 -0.453 3.489 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.555 0.484 2.953 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.187 0.314 3.763 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.474 1.886 3.516 1.00 0.00 C ATOM 0 H ILE A 78 20.321 0.350 5.289 1.00 0.00 H new ATOM 0 HA ILE A 78 18.102 -1.591 5.285 1.00 0.00 H new ATOM 0 HB ILE A 78 18.266 -1.209 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.534 0.064 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.477 0.532 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.855 0.806 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.416 -0.377 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.368 1.064 4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.272 2.495 3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.509 2.325 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.582 1.850 4.600 1.00 0.00 H new ATOM 1056 N PRO A 79 19.385 -3.416 3.968 1.00 0.00 N ATOM 1057 CA PRO A 79 20.187 -4.574 3.563 1.00 0.00 C ATOM 1058 C PRO A 79 20.929 -4.336 2.253 1.00 0.00 C ATOM 1059 O PRO A 79 21.773 -5.138 1.851 1.00 0.00 O ATOM 1060 CB PRO A 79 19.147 -5.685 3.395 1.00 0.00 C ATOM 1061 CG PRO A 79 17.875 -4.970 3.096 1.00 0.00 C ATOM 1062 CD PRO A 79 17.939 -3.675 3.856 1.00 0.00 C ATOM 0 HA PRO A 79 20.964 -4.806 4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 79 19.419 -6.363 2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 79 19.060 -6.286 4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 79 17.771 -4.790 2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 79 17.013 -5.561 3.405 1.00 0.00 H new ATOM 0 HD2 PRO A 79 17.427 -2.872 3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 79 17.469 -3.760 4.836 1.00 0.00 H new ATOM 1070 N TYR A 80 20.610 -3.230 1.590 1.00 0.00 N ATOM 1071 CA TYR A 80 21.245 -2.887 0.323 1.00 0.00 C ATOM 1072 C TYR A 80 22.069 -1.610 0.455 1.00 0.00 C ATOM 1073 O TYR A 80 22.192 -1.045 1.542 1.00 0.00 O ATOM 1074 CB TYR A 80 20.189 -2.716 -0.770 1.00 0.00 C ATOM 1075 CG TYR A 80 18.987 -1.911 -0.331 1.00 0.00 C ATOM 1076 CD1 TYR A 80 17.899 -2.526 0.277 1.00 0.00 C ATOM 1077 CD2 TYR A 80 18.940 -0.536 -0.523 1.00 0.00 C ATOM 1078 CE1 TYR A 80 16.798 -1.794 0.679 1.00 0.00 C ATOM 1079 CE2 TYR A 80 17.844 0.204 -0.123 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.776 -0.430 0.477 1.00 0.00 C ATOM 1081 OH TYR A 80 15.682 0.303 0.878 1.00 0.00 O ATOM 0 H TYR A 80 19.915 -2.555 1.909 1.00 0.00 H new ATOM 0 HA TYR A 80 21.914 -3.702 0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.646 -2.230 -1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 80 19.856 -3.700 -1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 80 17.914 -3.594 0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 80 19.775 -0.037 -0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 80 15.960 -2.287 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 80 17.824 1.272 -0.279 1.00 0.00 H new ATOM 0 HH TYR A 80 15.826 1.249 0.664 1.00 0.00 H new ATOM 1091 N LYS A 81 22.631 -1.159 -0.661 1.00 0.00 N ATOM 1092 CA LYS A 81 23.442 0.052 -0.675 1.00 0.00 C ATOM 1093 C LYS A 81 22.640 1.239 -1.199 1.00 0.00 C ATOM 1094 O LYS A 81 21.605 1.064 -1.842 1.00 0.00 O ATOM 1095 CB LYS A 81 24.690 -0.154 -1.536 1.00 0.00 C ATOM 1096 CG LYS A 81 25.854 -0.774 -0.782 1.00 0.00 C ATOM 1097 CD LYS A 81 26.914 0.262 -0.445 1.00 0.00 C ATOM 1098 CE LYS A 81 28.175 -0.389 0.101 1.00 0.00 C ATOM 1099 NZ LYS A 81 29.119 0.616 0.664 1.00 0.00 N ATOM 0 H LYS A 81 22.539 -1.615 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 81 23.747 0.266 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 81 24.436 -0.792 -2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 81 25.003 0.807 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.490 -1.236 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.297 -1.567 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 81 27.158 0.838 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.518 0.964 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.907 -1.108 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.670 -0.946 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.966 0.132 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 29.395 1.288 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.656 1.131 1.440 1.00 0.00 H new ATOM 1113 N ILE A 82 23.125 2.444 -0.922 1.00 0.00 N ATOM 1114 CA ILE A 82 22.454 3.659 -1.369 1.00 0.00 C ATOM 1115 C ILE A 82 23.290 4.398 -2.408 1.00 0.00 C ATOM 1116 O ILE A 82 24.309 5.006 -2.082 1.00 0.00 O ATOM 1117 CB ILE A 82 22.163 4.607 -0.190 1.00 0.00 C ATOM 1118 CG1 ILE A 82 21.461 3.852 0.940 1.00 0.00 C ATOM 1119 CG2 ILE A 82 21.318 5.784 -0.654 1.00 0.00 C ATOM 1120 CD1 ILE A 82 22.334 3.636 2.156 1.00 0.00 C ATOM 0 H ILE A 82 23.980 2.606 -0.390 1.00 0.00 H new ATOM 0 HA ILE A 82 21.510 3.352 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 82 23.109 4.991 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 82 20.570 4.405 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 82 21.126 2.884 0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 82 21.120 6.445 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.854 6.334 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.374 5.418 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 82 21.771 3.095 2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 82 23.213 3.057 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.648 4.601 2.555 1.00 0.00 H new ATOM 1132 N SER A 83 22.849 4.344 -3.661 1.00 0.00 N ATOM 1133 CA SER A 83 23.558 5.007 -4.749 1.00 0.00 C ATOM 1134 C SER A 83 22.795 4.861 -6.063 1.00 0.00 C ATOM 1135 O SER A 83 22.016 3.923 -6.242 1.00 0.00 O ATOM 1136 CB SER A 83 24.966 4.427 -4.898 1.00 0.00 C ATOM 1137 OG SER A 83 24.975 3.333 -5.798 1.00 0.00 O ATOM 0 H SER A 83 22.005 3.848 -3.947 1.00 0.00 H new ATOM 0 HA SER A 83 23.633 6.067 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.645 5.201 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.334 4.104 -3.924 1.00 0.00 H new ATOM 0 HG SER A 83 24.577 2.549 -5.364 1.00 0.00 H new ATOM 1143 N THR A 84 23.023 5.796 -6.980 1.00 0.00 N ATOM 1144 CA THR A 84 22.358 5.773 -8.276 1.00 0.00 C ATOM 1145 C THR A 84 22.865 4.621 -9.135 1.00 0.00 C ATOM 1146 O THR A 84 22.294 4.314 -10.182 1.00 0.00 O ATOM 1147 CB THR A 84 22.566 7.096 -9.037 1.00 0.00 C ATOM 1148 OG1 THR A 84 22.031 6.989 -10.361 1.00 0.00 O ATOM 1149 CG2 THR A 84 24.044 7.452 -9.110 1.00 0.00 C ATOM 0 H THR A 84 23.664 6.579 -6.849 1.00 0.00 H new ATOM 0 HA THR A 84 21.294 5.636 -8.082 1.00 0.00 H new ATOM 0 HB THR A 84 22.044 7.886 -8.497 1.00 0.00 H new ATOM 0 HG1 THR A 84 21.887 6.045 -10.580 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.166 8.390 -9.652 1.00 0.00 H new ATOM 0 HG22 THR A 84 24.442 7.561 -8.101 1.00 0.00 H new ATOM 0 HG23 THR A 84 24.584 6.660 -9.629 1.00 0.00 H new ATOM 1157 N THR A 85 23.941 3.983 -8.686 1.00 0.00 N ATOM 1158 CA THR A 85 24.526 2.864 -9.413 1.00 0.00 C ATOM 1159 C THR A 85 24.339 1.556 -8.653 1.00 0.00 C ATOM 1160 O THR A 85 25.189 0.666 -8.708 1.00 0.00 O ATOM 1161 CB THR A 85 26.029 3.084 -9.671 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.747 3.055 -8.433 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.268 4.414 -10.371 1.00 0.00 C ATOM 0 H THR A 85 24.425 4.223 -7.821 1.00 0.00 H new ATOM 0 HA THR A 85 24.006 2.803 -10.369 1.00 0.00 H new ATOM 0 HB THR A 85 26.386 2.282 -10.317 1.00 0.00 H new ATOM 0 HG1 THR A 85 26.124 3.196 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.336 4.548 -10.543 1.00 0.00 H new ATOM 0 HG22 THR A 85 25.743 4.422 -11.326 1.00 0.00 H new ATOM 0 HG23 THR A 85 25.896 5.226 -9.746 1.00 0.00 H new ATOM 1171 N THR A 86 23.221 1.444 -7.943 1.00 0.00 N ATOM 1172 CA THR A 86 22.922 0.244 -7.171 1.00 0.00 C ATOM 1173 C THR A 86 21.663 -0.442 -7.686 1.00 0.00 C ATOM 1174 O THR A 86 20.708 0.218 -8.096 1.00 0.00 O ATOM 1175 CB THR A 86 22.742 0.569 -5.676 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.981 1.023 -5.121 1.00 0.00 O ATOM 1177 CG2 THR A 86 22.256 -0.654 -4.912 1.00 0.00 C ATOM 0 H THR A 86 22.507 2.170 -7.887 1.00 0.00 H new ATOM 0 HA THR A 86 23.772 -0.428 -7.289 1.00 0.00 H new ATOM 0 HB THR A 86 21.994 1.356 -5.585 1.00 0.00 H new ATOM 0 HG1 THR A 86 23.858 1.229 -4.171 1.00 0.00 H new ATOM 0 HG21 THR A 86 22.136 -0.401 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.299 -0.980 -5.318 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.985 -1.458 -5.011 1.00 0.00 H new ATOM 1185 N ASN A 87 21.666 -1.771 -7.662 1.00 0.00 N ATOM 1186 CA ASN A 87 20.522 -2.547 -8.127 1.00 0.00 C ATOM 1187 C ASN A 87 19.852 -3.277 -6.967 1.00 0.00 C ATOM 1188 O ASN A 87 20.384 -4.259 -6.447 1.00 0.00 O ATOM 1189 CB ASN A 87 20.961 -3.554 -9.192 1.00 0.00 C ATOM 1190 CG ASN A 87 19.784 -4.216 -9.882 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.628 -3.963 -9.541 1.00 0.00 O ATOM 1192 ND2 ASN A 87 20.074 -5.071 -10.856 1.00 0.00 N ATOM 0 H ASN A 87 22.448 -2.333 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 87 19.800 -1.857 -8.564 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.576 -3.047 -9.935 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.585 -4.319 -8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.324 -5.549 -11.355 1.00 0.00 H new ATOM 0 HD22 ASN A 87 21.047 -5.250 -11.105 1.00 0.00 H new ATOM 1199 N CYS A 88 18.682 -2.791 -6.566 1.00 0.00 N ATOM 1200 CA CYS A 88 17.939 -3.397 -5.467 1.00 0.00 C ATOM 1201 C CYS A 88 17.292 -4.708 -5.905 1.00 0.00 C ATOM 1202 O CYS A 88 17.010 -5.577 -5.083 1.00 0.00 O ATOM 1203 CB CYS A 88 16.866 -2.432 -4.958 1.00 0.00 C ATOM 1204 SG CYS A 88 17.430 -1.334 -3.618 1.00 0.00 S ATOM 0 H CYS A 88 18.228 -1.980 -6.985 1.00 0.00 H new ATOM 0 HA CYS A 88 18.641 -3.610 -4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 88 16.517 -1.822 -5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 88 16.011 -3.009 -4.605 1.00 0.00 H new