USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 440 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 48 LYS NZ :NH3+ 167:sc= 0.385 (180deg=0) USER MOD Set 1.2: A 65 ASN : amide:sc= -3.76! C(o=-3.4!,f=-9.2!) USER MOD Set 2.1: A 4 THR OG1 : rot -70:sc= 1.29 USER MOD Set 2.2: A 39 GLN : amide:sc= -0.776! K(o=0.52!,f=-2.5) USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0.0563 USER MOD Set 3.2: A 43 SER OG : rot 67:sc= 0.862 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0963 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 9 THR OG1 : rot 170:sc= 0.00488 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= 1.13 (180deg=0.845) USER MOD Single : A 18 TYR OH : rot -138:sc= 0.115 USER MOD Single : A 21 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.6) USER MOD Single : A 23 MET CE :methyl -105:sc= -0.0072 (180deg=-0.402) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0758 USER MOD Single : A 26 SER OG : rot 54:sc= 0.962 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -130:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -133:sc= 0.608 (180deg=-1.67!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 1.17 K(o=1.2,f=-0.086) USER MOD Single : A 54 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 56 ASN : amide:sc= -2.94! K(o=-2.9!,f=-0.43) USER MOD Single : A 57 SER OG : rot 74:sc= 0.147 USER MOD Single : A 62 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 1.024 14.471 -8.030 1.00 0.00 N ATOM 15 CA ALA A 2 0.829 13.285 -7.215 1.00 0.00 C ATOM 16 C ALA A 2 1.773 13.300 -6.022 1.00 0.00 C ATOM 17 O ALA A 2 2.795 13.984 -6.038 1.00 0.00 O ATOM 18 CB ALA A 2 1.027 12.031 -8.049 1.00 0.00 C ATOM 0 HA ALA A 2 -0.194 13.284 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.877 11.151 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.307 12.021 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.039 12.020 -8.455 1.00 0.00 H new ATOM 24 N THR A 3 1.428 12.542 -4.995 1.00 0.00 N ATOM 25 CA THR A 3 2.197 12.520 -3.762 1.00 0.00 C ATOM 26 C THR A 3 3.381 11.561 -3.849 1.00 0.00 C ATOM 27 O THR A 3 3.228 10.397 -4.223 1.00 0.00 O ATOM 28 CB THR A 3 1.303 12.100 -2.588 1.00 0.00 C ATOM 29 OG1 THR A 3 0.002 11.756 -3.083 1.00 0.00 O ATOM 30 CG2 THR A 3 1.185 13.216 -1.560 1.00 0.00 C ATOM 0 H THR A 3 0.613 11.929 -4.991 1.00 0.00 H new ATOM 0 HA THR A 3 2.579 13.528 -3.603 1.00 0.00 H new ATOM 0 HB THR A 3 1.755 11.237 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.571 11.485 -2.336 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.546 12.889 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.174 13.461 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.750 14.099 -2.029 1.00 0.00 H new ATOM 38 N THR A 4 4.556 12.057 -3.502 1.00 0.00 N ATOM 39 CA THR A 4 5.755 11.241 -3.458 1.00 0.00 C ATOM 40 C THR A 4 5.974 10.735 -2.037 1.00 0.00 C ATOM 41 O THR A 4 5.817 11.491 -1.078 1.00 0.00 O ATOM 42 CB THR A 4 6.984 12.043 -3.919 1.00 0.00 C ATOM 43 OG1 THR A 4 6.569 13.086 -4.814 1.00 0.00 O ATOM 44 CG2 THR A 4 7.991 11.140 -4.614 1.00 0.00 C ATOM 0 H THR A 4 4.705 13.033 -3.244 1.00 0.00 H new ATOM 0 HA THR A 4 5.624 10.396 -4.135 1.00 0.00 H new ATOM 0 HB THR A 4 7.462 12.480 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.268 12.691 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.851 11.730 -4.931 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.319 10.362 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.526 10.680 -5.486 1.00 0.00 H new ATOM 52 N ILE A 5 6.313 9.460 -1.895 1.00 0.00 N ATOM 53 CA ILE A 5 6.453 8.867 -0.573 1.00 0.00 C ATOM 54 C ILE A 5 7.903 8.894 -0.103 1.00 0.00 C ATOM 55 O ILE A 5 8.835 8.834 -0.910 1.00 0.00 O ATOM 56 CB ILE A 5 5.913 7.414 -0.523 1.00 0.00 C ATOM 57 CG1 ILE A 5 6.975 6.408 -0.968 1.00 0.00 C ATOM 58 CG2 ILE A 5 4.668 7.276 -1.382 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.912 5.094 -0.220 1.00 0.00 C ATOM 0 H ILE A 5 6.494 8.823 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 5 5.851 9.475 0.102 1.00 0.00 H new ATOM 0 HB ILE A 5 5.653 7.195 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.858 6.216 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.962 6.849 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.305 6.250 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.896 7.952 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.909 7.527 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.694 4.429 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.059 5.274 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.938 4.631 -0.378 1.00 0.00 H new ATOM 71 N GLY A 6 8.081 9.003 1.204 1.00 0.00 N ATOM 72 CA GLY A 6 9.403 8.953 1.780 1.00 0.00 C ATOM 73 C GLY A 6 9.812 7.531 2.106 1.00 0.00 C ATOM 74 O GLY A 6 8.974 6.629 2.091 1.00 0.00 O ATOM 0 H GLY A 6 7.326 9.126 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.121 9.389 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.429 9.557 2.687 1.00 0.00 H new ATOM 78 N PRO A 7 11.091 7.302 2.429 1.00 0.00 N ATOM 79 CA PRO A 7 11.611 5.963 2.707 1.00 0.00 C ATOM 80 C PRO A 7 11.242 5.472 4.102 1.00 0.00 C ATOM 81 O PRO A 7 11.102 4.272 4.333 1.00 0.00 O ATOM 82 CB PRO A 7 13.136 6.133 2.595 1.00 0.00 C ATOM 83 CG PRO A 7 13.361 7.536 2.122 1.00 0.00 C ATOM 84 CD PRO A 7 12.143 8.315 2.520 1.00 0.00 C ATOM 0 HA PRO A 7 11.197 5.224 2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.619 5.963 3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.559 5.413 1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 7 14.258 7.959 2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 7 13.505 7.564 1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.231 8.723 3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.959 9.155 1.851 1.00 0.00 H new ATOM 92 N ASN A 8 11.070 6.405 5.026 1.00 0.00 N ATOM 93 CA ASN A 8 10.761 6.055 6.404 1.00 0.00 C ATOM 94 C ASN A 8 9.509 6.778 6.882 1.00 0.00 C ATOM 95 O ASN A 8 9.501 7.395 7.948 1.00 0.00 O ATOM 96 CB ASN A 8 11.940 6.384 7.323 1.00 0.00 C ATOM 97 CG ASN A 8 12.056 5.409 8.478 1.00 0.00 C ATOM 98 OD1 ASN A 8 12.158 4.200 8.276 1.00 0.00 O ATOM 99 ND2 ASN A 8 12.036 5.928 9.695 1.00 0.00 N ATOM 0 H ASN A 8 11.139 7.407 4.848 1.00 0.00 H new ATOM 0 HA ASN A 8 10.576 4.982 6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.864 6.371 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.823 7.395 7.714 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.107 5.319 10.510 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.950 6.937 9.818 1.00 0.00 H new ATOM 106 N THR A 9 8.448 6.701 6.089 1.00 0.00 N ATOM 107 CA THR A 9 7.176 7.311 6.456 1.00 0.00 C ATOM 108 C THR A 9 6.420 6.437 7.461 1.00 0.00 C ATOM 109 O THR A 9 5.377 6.827 7.988 1.00 0.00 O ATOM 110 CB THR A 9 6.298 7.544 5.211 1.00 0.00 C ATOM 111 OG1 THR A 9 7.137 7.784 4.070 1.00 0.00 O ATOM 112 CG2 THR A 9 5.361 8.725 5.419 1.00 0.00 C ATOM 0 H THR A 9 8.443 6.223 5.188 1.00 0.00 H new ATOM 0 HA THR A 9 7.395 8.273 6.919 1.00 0.00 H new ATOM 0 HB THR A 9 5.693 6.653 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.593 7.772 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.752 8.868 4.526 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.712 8.529 6.273 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.946 9.625 5.607 1.00 0.00 H new ATOM 120 N CYS A 10 6.962 5.261 7.734 1.00 0.00 N ATOM 121 CA CYS A 10 6.355 4.345 8.682 1.00 0.00 C ATOM 122 C CYS A 10 7.138 4.339 9.986 1.00 0.00 C ATOM 123 O CYS A 10 8.304 3.955 10.017 1.00 0.00 O ATOM 124 CB CYS A 10 6.289 2.931 8.098 1.00 0.00 C ATOM 125 SG CYS A 10 5.123 2.767 6.711 1.00 0.00 S ATOM 0 H CYS A 10 7.824 4.919 7.310 1.00 0.00 H new ATOM 0 HA CYS A 10 5.339 4.683 8.884 1.00 0.00 H new ATOM 0 HB2 CYS A 10 7.284 2.640 7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.003 2.235 8.886 1.00 0.00 H new ATOM 130 N SER A 11 6.502 4.805 11.051 1.00 0.00 N ATOM 131 CA SER A 11 7.115 4.804 12.372 1.00 0.00 C ATOM 132 C SER A 11 6.170 4.175 13.390 1.00 0.00 C ATOM 133 O SER A 11 5.741 4.814 14.353 1.00 0.00 O ATOM 134 CB SER A 11 7.482 6.233 12.780 1.00 0.00 C ATOM 135 OG SER A 11 7.719 7.038 11.635 1.00 0.00 O ATOM 0 H SER A 11 5.558 5.190 11.026 1.00 0.00 H new ATOM 0 HA SER A 11 8.028 4.209 12.341 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.676 6.665 13.374 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.371 6.219 13.411 1.00 0.00 H new ATOM 0 HG SER A 11 7.950 7.948 11.917 1.00 0.00 H new ATOM 141 N ILE A 12 5.847 2.911 13.166 1.00 0.00 N ATOM 142 CA ILE A 12 4.919 2.189 14.025 1.00 0.00 C ATOM 143 C ILE A 12 5.565 0.899 14.507 1.00 0.00 C ATOM 144 O ILE A 12 6.082 0.829 15.621 1.00 0.00 O ATOM 145 CB ILE A 12 3.596 1.854 13.291 1.00 0.00 C ATOM 146 CG1 ILE A 12 2.968 3.125 12.713 1.00 0.00 C ATOM 147 CG2 ILE A 12 2.617 1.165 14.238 1.00 0.00 C ATOM 148 CD1 ILE A 12 2.242 2.898 11.407 1.00 0.00 C ATOM 0 H ILE A 12 6.216 2.360 12.391 1.00 0.00 H new ATOM 0 HA ILE A 12 4.683 2.834 14.872 1.00 0.00 H new ATOM 0 HB ILE A 12 3.822 1.173 12.471 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.270 3.539 13.440 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.749 3.870 12.561 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.694 0.938 13.705 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.059 0.240 14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.398 1.825 15.078 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.822 3.840 11.056 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.941 2.513 10.664 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.439 2.177 11.558 1.00 0.00 H new ATOM 160 N ASP A 13 5.554 -0.104 13.647 1.00 0.00 N ATOM 161 CA ASP A 13 6.128 -1.404 13.954 1.00 0.00 C ATOM 162 C ASP A 13 6.641 -2.028 12.664 1.00 0.00 C ATOM 163 O ASP A 13 7.156 -1.317 11.798 1.00 0.00 O ATOM 164 CB ASP A 13 5.083 -2.304 14.623 1.00 0.00 C ATOM 165 CG ASP A 13 5.708 -3.377 15.485 1.00 0.00 C ATOM 166 OD1 ASP A 13 6.097 -3.075 16.634 1.00 0.00 O ATOM 167 OD2 ASP A 13 5.818 -4.524 15.016 1.00 0.00 O ATOM 0 H ASP A 13 5.146 -0.041 12.714 1.00 0.00 H new ATOM 0 HA ASP A 13 6.957 -1.289 14.652 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.420 -1.692 15.234 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.467 -2.772 13.855 1.00 0.00 H new ATOM 172 N ASP A 14 6.490 -3.337 12.504 1.00 0.00 N ATOM 173 CA ASP A 14 6.864 -3.980 11.250 1.00 0.00 C ATOM 174 C ASP A 14 5.768 -3.772 10.216 1.00 0.00 C ATOM 175 O ASP A 14 4.975 -4.670 9.930 1.00 0.00 O ATOM 176 CB ASP A 14 7.138 -5.474 11.429 1.00 0.00 C ATOM 177 CG ASP A 14 7.852 -6.059 10.223 1.00 0.00 C ATOM 178 OD1 ASP A 14 7.173 -6.483 9.264 1.00 0.00 O ATOM 179 OD2 ASP A 14 9.100 -6.069 10.211 1.00 0.00 O ATOM 0 H ASP A 14 6.117 -3.966 13.215 1.00 0.00 H new ATOM 0 HA ASP A 14 7.789 -3.517 10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.744 -5.629 12.322 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.197 -6.001 11.587 1.00 0.00 H new ATOM 184 N TYR A 15 5.707 -2.564 9.685 1.00 0.00 N ATOM 185 CA TYR A 15 4.729 -2.220 8.673 1.00 0.00 C ATOM 186 C TYR A 15 5.434 -1.621 7.468 1.00 0.00 C ATOM 187 O TYR A 15 6.454 -0.946 7.615 1.00 0.00 O ATOM 188 CB TYR A 15 3.695 -1.250 9.243 1.00 0.00 C ATOM 189 CG TYR A 15 2.691 -1.932 10.146 1.00 0.00 C ATOM 190 CD1 TYR A 15 1.715 -2.767 9.620 1.00 0.00 C ATOM 191 CD2 TYR A 15 2.729 -1.754 11.524 1.00 0.00 C ATOM 192 CE1 TYR A 15 0.802 -3.405 10.437 1.00 0.00 C ATOM 193 CE2 TYR A 15 1.819 -2.390 12.348 1.00 0.00 C ATOM 194 CZ TYR A 15 0.859 -3.213 11.801 1.00 0.00 C ATOM 195 OH TYR A 15 -0.050 -3.842 12.620 1.00 0.00 O ATOM 0 H TYR A 15 6.331 -1.799 9.942 1.00 0.00 H new ATOM 0 HA TYR A 15 4.203 -3.121 8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.207 -0.467 9.802 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.168 -0.764 8.422 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.669 -2.921 8.552 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.480 -1.110 11.957 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.048 -4.050 10.010 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.861 -2.242 13.417 1.00 0.00 H new ATOM 0 HH TYR A 15 0.129 -3.602 13.553 1.00 0.00 H new ATOM 205 N LYS A 16 4.910 -1.887 6.284 1.00 0.00 N ATOM 206 CA LYS A 16 5.554 -1.452 5.057 1.00 0.00 C ATOM 207 C LYS A 16 4.770 -0.312 4.425 1.00 0.00 C ATOM 208 O LYS A 16 3.546 -0.255 4.545 1.00 0.00 O ATOM 209 CB LYS A 16 5.671 -2.626 4.079 1.00 0.00 C ATOM 210 CG LYS A 16 6.802 -3.589 4.414 1.00 0.00 C ATOM 211 CD LYS A 16 6.282 -4.988 4.716 1.00 0.00 C ATOM 212 CE LYS A 16 6.083 -5.207 6.209 1.00 0.00 C ATOM 213 NZ LYS A 16 7.376 -5.261 6.938 1.00 0.00 N ATOM 0 H LYS A 16 4.040 -2.402 6.146 1.00 0.00 H new ATOM 0 HA LYS A 16 6.556 -1.093 5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.729 -3.175 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.824 -2.236 3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.501 -3.633 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.356 -3.214 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.337 -5.144 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.984 -5.728 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.470 -4.402 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.536 -6.136 6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.239 -5.735 7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.071 -5.791 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.725 -4.294 7.097 1.00 0.00 H new ATOM 227 N PRO A 17 5.462 0.614 3.753 1.00 0.00 N ATOM 228 CA PRO A 17 4.828 1.758 3.114 1.00 0.00 C ATOM 229 C PRO A 17 4.192 1.378 1.783 1.00 0.00 C ATOM 230 O PRO A 17 4.880 1.129 0.797 1.00 0.00 O ATOM 231 CB PRO A 17 5.979 2.754 2.896 1.00 0.00 C ATOM 232 CG PRO A 17 7.214 2.098 3.435 1.00 0.00 C ATOM 233 CD PRO A 17 6.913 0.632 3.563 1.00 0.00 C ATOM 0 HA PRO A 17 4.020 2.166 3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.094 2.989 1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.782 3.694 3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.060 2.261 2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.485 2.522 4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.211 0.079 2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.437 0.184 4.407 1.00 0.00 H new ATOM 241 N TYR A 18 2.876 1.306 1.770 1.00 0.00 N ATOM 242 CA TYR A 18 2.148 1.001 0.558 1.00 0.00 C ATOM 243 C TYR A 18 1.409 2.235 0.066 1.00 0.00 C ATOM 244 O TYR A 18 1.129 3.156 0.834 1.00 0.00 O ATOM 245 CB TYR A 18 1.145 -0.121 0.805 1.00 0.00 C ATOM 246 CG TYR A 18 1.765 -1.455 1.154 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.463 -2.192 0.205 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.635 -1.982 2.430 1.00 0.00 C ATOM 249 CE1 TYR A 18 3.019 -3.415 0.526 1.00 0.00 C ATOM 250 CE2 TYR A 18 2.186 -3.204 2.757 1.00 0.00 C ATOM 251 CZ TYR A 18 2.875 -3.918 1.803 1.00 0.00 C ATOM 252 OH TYR A 18 3.422 -5.137 2.128 1.00 0.00 O ATOM 0 H TYR A 18 2.288 1.456 2.590 1.00 0.00 H new ATOM 0 HA TYR A 18 2.864 0.680 -0.198 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.478 0.177 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.530 -0.243 -0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.572 -1.803 -0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.093 -1.426 3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.564 -3.975 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.077 -3.598 3.757 1.00 0.00 H new ATOM 0 HH TYR A 18 2.789 -5.644 2.678 1.00 0.00 H new ATOM 262 N CYS A 19 1.104 2.249 -1.216 1.00 0.00 N ATOM 263 CA CYS A 19 0.319 3.315 -1.801 1.00 0.00 C ATOM 264 C CYS A 19 -1.113 2.842 -2.003 1.00 0.00 C ATOM 265 O CYS A 19 -1.456 2.298 -3.053 1.00 0.00 O ATOM 266 CB CYS A 19 0.915 3.757 -3.135 1.00 0.00 C ATOM 267 SG CYS A 19 -0.018 5.095 -3.942 1.00 0.00 S ATOM 0 H CYS A 19 1.391 1.527 -1.877 1.00 0.00 H new ATOM 0 HA CYS A 19 0.328 4.168 -1.123 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.941 4.087 -2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.958 2.899 -3.806 1.00 0.00 H new ATOM 272 N CYS A 20 -1.940 3.035 -0.989 1.00 0.00 N ATOM 273 CA CYS A 20 -3.314 2.568 -1.037 1.00 0.00 C ATOM 274 C CYS A 20 -4.207 3.574 -1.742 1.00 0.00 C ATOM 275 O CYS A 20 -4.371 4.710 -1.286 1.00 0.00 O ATOM 276 CB CYS A 20 -3.848 2.297 0.368 1.00 0.00 C ATOM 277 SG CYS A 20 -4.019 0.530 0.761 1.00 0.00 S ATOM 0 H CYS A 20 -1.684 3.511 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.324 1.636 -1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.180 2.758 1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.819 2.779 0.476 1.00 0.00 H new ATOM 282 N GLN A 21 -4.760 3.155 -2.863 1.00 0.00 N ATOM 283 CA GLN A 21 -5.707 3.972 -3.598 1.00 0.00 C ATOM 284 C GLN A 21 -7.070 3.901 -2.926 1.00 0.00 C ATOM 285 O GLN A 21 -7.681 2.831 -2.846 1.00 0.00 O ATOM 286 CB GLN A 21 -5.807 3.504 -5.051 1.00 0.00 C ATOM 287 CG GLN A 21 -4.462 3.190 -5.684 1.00 0.00 C ATOM 288 CD GLN A 21 -3.751 4.429 -6.200 1.00 0.00 C ATOM 289 OE1 GLN A 21 -4.381 5.357 -6.703 1.00 0.00 O ATOM 290 NE2 GLN A 21 -2.431 4.458 -6.071 1.00 0.00 N ATOM 0 H GLN A 21 -4.569 2.248 -3.287 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.359 5.005 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.436 2.615 -5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.304 4.276 -5.639 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.828 2.692 -4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.607 2.491 -6.507 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.942 3.669 -5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.905 5.270 -6.395 1.00 0.00 H new ATOM 299 N SER A 22 -7.533 5.033 -2.422 1.00 0.00 N ATOM 300 CA SER A 22 -8.821 5.105 -1.756 1.00 0.00 C ATOM 301 C SER A 22 -9.947 5.167 -2.782 1.00 0.00 C ATOM 302 O SER A 22 -10.470 6.238 -3.095 1.00 0.00 O ATOM 303 CB SER A 22 -8.855 6.328 -0.841 1.00 0.00 C ATOM 304 OG SER A 22 -7.553 6.881 -0.692 1.00 0.00 O ATOM 0 H SER A 22 -7.031 5.920 -2.463 1.00 0.00 H new ATOM 0 HA SER A 22 -8.964 4.209 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.529 7.078 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.250 6.047 0.135 1.00 0.00 H new ATOM 0 HG SER A 22 -7.595 7.664 -0.104 1.00 0.00 H new ATOM 310 N MET A 23 -10.299 4.007 -3.317 1.00 0.00 N ATOM 311 CA MET A 23 -11.351 3.909 -4.313 1.00 0.00 C ATOM 312 C MET A 23 -12.714 3.938 -3.641 1.00 0.00 C ATOM 313 O MET A 23 -13.319 2.888 -3.408 1.00 0.00 O ATOM 314 CB MET A 23 -11.205 2.620 -5.125 1.00 0.00 C ATOM 315 CG MET A 23 -9.863 2.485 -5.821 1.00 0.00 C ATOM 316 SD MET A 23 -9.625 0.858 -6.557 1.00 0.00 S ATOM 317 CE MET A 23 -8.893 -0.028 -5.183 1.00 0.00 C ATOM 0 H MET A 23 -9.867 3.116 -3.074 1.00 0.00 H new ATOM 0 HA MET A 23 -11.264 4.761 -4.987 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.348 1.766 -4.463 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.997 2.580 -5.872 1.00 0.00 H new ATOM 0 HG2 MET A 23 -9.782 3.246 -6.597 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.065 2.675 -5.103 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.825 -0.156 -5.360 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.043 0.538 -4.264 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.365 -1.006 -5.088 1.00 0.00 H new ATOM 327 N SER A 24 -13.177 5.140 -3.316 1.00 0.00 N ATOM 328 CA SER A 24 -14.473 5.327 -2.681 1.00 0.00 C ATOM 329 C SER A 24 -15.582 4.710 -3.528 1.00 0.00 C ATOM 330 O SER A 24 -15.828 5.132 -4.661 1.00 0.00 O ATOM 331 CB SER A 24 -14.727 6.815 -2.453 1.00 0.00 C ATOM 332 OG SER A 24 -13.515 7.484 -2.136 1.00 0.00 O ATOM 0 H SER A 24 -12.667 6.007 -3.485 1.00 0.00 H new ATOM 0 HA SER A 24 -14.470 4.821 -1.716 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.169 7.255 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.445 6.948 -1.644 1.00 0.00 H new ATOM 0 HG SER A 24 -13.695 8.437 -1.995 1.00 0.00 H new ATOM 338 N GLY A 25 -16.228 3.702 -2.975 1.00 0.00 N ATOM 339 CA GLY A 25 -17.215 2.947 -3.712 1.00 0.00 C ATOM 340 C GLY A 25 -16.852 1.479 -3.738 1.00 0.00 C ATOM 341 O GLY A 25 -17.573 0.653 -4.301 1.00 0.00 O ATOM 0 H GLY A 25 -16.085 3.388 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.196 3.077 -3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.286 3.328 -4.731 1.00 0.00 H new ATOM 345 N SER A 26 -15.721 1.166 -3.122 1.00 0.00 N ATOM 346 CA SER A 26 -15.229 -0.198 -3.038 1.00 0.00 C ATOM 347 C SER A 26 -14.458 -0.389 -1.737 1.00 0.00 C ATOM 348 O SER A 26 -13.588 0.415 -1.403 1.00 0.00 O ATOM 349 CB SER A 26 -14.321 -0.505 -4.233 1.00 0.00 C ATOM 350 OG SER A 26 -14.026 0.678 -4.965 1.00 0.00 O ATOM 0 H SER A 26 -15.120 1.852 -2.667 1.00 0.00 H new ATOM 0 HA SER A 26 -16.077 -0.883 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.395 -0.961 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.806 -1.230 -4.886 1.00 0.00 H new ATOM 0 HG SER A 26 -13.654 1.353 -4.360 1.00 0.00 H new ATOM 356 N ALA A 27 -14.775 -1.446 -1.007 1.00 0.00 N ATOM 357 CA ALA A 27 -14.106 -1.736 0.255 1.00 0.00 C ATOM 358 C ALA A 27 -12.829 -2.536 0.014 1.00 0.00 C ATOM 359 O ALA A 27 -12.528 -3.495 0.727 1.00 0.00 O ATOM 360 CB ALA A 27 -15.043 -2.488 1.188 1.00 0.00 C ATOM 0 H ALA A 27 -15.494 -2.121 -1.266 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.832 -0.793 0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.530 -2.698 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.926 -1.880 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -15.345 -3.426 0.722 1.00 0.00 H new ATOM 366 N SER A 28 -12.085 -2.139 -1.005 1.00 0.00 N ATOM 367 CA SER A 28 -10.851 -2.812 -1.366 1.00 0.00 C ATOM 368 C SER A 28 -9.691 -1.830 -1.351 1.00 0.00 C ATOM 369 O SER A 28 -9.649 -0.886 -2.142 1.00 0.00 O ATOM 370 CB SER A 28 -10.987 -3.454 -2.748 1.00 0.00 C ATOM 371 OG SER A 28 -12.351 -3.688 -3.066 1.00 0.00 O ATOM 0 H SER A 28 -12.319 -1.345 -1.602 1.00 0.00 H new ATOM 0 HA SER A 28 -10.651 -3.595 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.540 -2.804 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.437 -4.395 -2.772 1.00 0.00 H new ATOM 0 HG SER A 28 -12.414 -4.097 -3.954 1.00 0.00 H new ATOM 377 N LEU A 29 -8.762 -2.042 -0.434 1.00 0.00 N ATOM 378 CA LEU A 29 -7.604 -1.176 -0.313 1.00 0.00 C ATOM 379 C LEU A 29 -6.547 -1.567 -1.337 1.00 0.00 C ATOM 380 O LEU A 29 -5.865 -2.577 -1.187 1.00 0.00 O ATOM 381 CB LEU A 29 -7.026 -1.253 1.106 1.00 0.00 C ATOM 382 CG LEU A 29 -7.516 -0.174 2.078 1.00 0.00 C ATOM 383 CD1 LEU A 29 -7.734 1.148 1.355 1.00 0.00 C ATOM 384 CD2 LEU A 29 -8.796 -0.623 2.769 1.00 0.00 C ATOM 0 H LEU A 29 -8.788 -2.808 0.238 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.914 -0.149 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.266 -2.230 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.940 -1.192 1.041 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.747 -0.023 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.082 1.898 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.796 1.478 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.481 1.016 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.131 0.154 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.569 -0.804 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.607 -1.541 3.325 1.00 0.00 H new ATOM 396 N GLY A 30 -6.430 -0.769 -2.385 1.00 0.00 N ATOM 397 CA GLY A 30 -5.453 -1.036 -3.418 1.00 0.00 C ATOM 398 C GLY A 30 -4.101 -0.477 -3.048 1.00 0.00 C ATOM 399 O GLY A 30 -3.753 0.630 -3.451 1.00 0.00 O ATOM 0 H GLY A 30 -6.998 0.064 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.373 -2.111 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.786 -0.598 -4.359 1.00 0.00 H new ATOM 403 N CYS A 31 -3.343 -1.238 -2.279 1.00 0.00 N ATOM 404 CA CYS A 31 -2.079 -0.769 -1.751 1.00 0.00 C ATOM 405 C CYS A 31 -0.930 -1.188 -2.656 1.00 0.00 C ATOM 406 O CYS A 31 -0.364 -2.273 -2.512 1.00 0.00 O ATOM 407 CB CYS A 31 -1.857 -1.311 -0.339 1.00 0.00 C ATOM 408 SG CYS A 31 -2.105 -0.088 0.993 1.00 0.00 S ATOM 0 H CYS A 31 -3.585 -2.190 -2.006 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.110 0.320 -1.710 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.534 -2.149 -0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.842 -1.703 -0.270 1.00 0.00 H new ATOM 413 N VAL A 32 -0.598 -0.327 -3.598 1.00 0.00 N ATOM 414 CA VAL A 32 0.518 -0.571 -4.493 1.00 0.00 C ATOM 415 C VAL A 32 1.828 -0.474 -3.722 1.00 0.00 C ATOM 416 O VAL A 32 1.949 0.331 -2.802 1.00 0.00 O ATOM 417 CB VAL A 32 0.527 0.430 -5.670 1.00 0.00 C ATOM 418 CG1 VAL A 32 1.227 -0.173 -6.871 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.893 0.844 -6.041 1.00 0.00 C ATOM 0 H VAL A 32 -1.087 0.552 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 32 0.408 -1.574 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 32 1.073 1.319 -5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.225 0.545 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.255 -0.419 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.705 -1.079 -7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.861 1.549 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.464 -0.037 -6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.370 1.316 -5.182 1.00 0.00 H new ATOM 429 N VAL A 33 2.796 -1.307 -4.082 1.00 0.00 N ATOM 430 CA VAL A 33 4.070 -1.359 -3.370 1.00 0.00 C ATOM 431 C VAL A 33 4.761 0.004 -3.374 1.00 0.00 C ATOM 432 O VAL A 33 5.125 0.524 -4.430 1.00 0.00 O ATOM 433 CB VAL A 33 5.016 -2.416 -3.983 1.00 0.00 C ATOM 434 CG1 VAL A 33 6.271 -2.563 -3.136 1.00 0.00 C ATOM 435 CG2 VAL A 33 4.307 -3.757 -4.133 1.00 0.00 C ATOM 0 H VAL A 33 2.725 -1.958 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 33 3.847 -1.642 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 33 5.309 -2.076 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.926 -3.311 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.792 -1.607 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.996 -2.876 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.993 -4.485 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.978 -4.106 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.442 -3.640 -4.786 1.00 0.00 H new ATOM 445 N GLY A 34 4.918 0.581 -2.189 1.00 0.00 N ATOM 446 CA GLY A 34 5.575 1.863 -2.065 1.00 0.00 C ATOM 447 C GLY A 34 7.060 1.706 -1.848 1.00 0.00 C ATOM 448 O GLY A 34 7.521 1.540 -0.719 1.00 0.00 O ATOM 0 H GLY A 34 4.599 0.179 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.398 2.452 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.141 2.416 -1.232 1.00 0.00 H new ATOM 452 N VAL A 35 7.808 1.738 -2.936 1.00 0.00 N ATOM 453 CA VAL A 35 9.249 1.577 -2.872 1.00 0.00 C ATOM 454 C VAL A 35 9.915 2.901 -2.519 1.00 0.00 C ATOM 455 O VAL A 35 9.282 3.960 -2.569 1.00 0.00 O ATOM 456 CB VAL A 35 9.830 1.033 -4.197 1.00 0.00 C ATOM 457 CG1 VAL A 35 10.781 -0.118 -3.922 1.00 0.00 C ATOM 458 CG2 VAL A 35 8.721 0.592 -5.140 1.00 0.00 C ATOM 0 H VAL A 35 7.440 1.874 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 35 9.459 0.845 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 35 10.383 1.838 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.183 -0.491 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.599 0.229 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.245 -0.919 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.158 0.214 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.133 -0.195 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.076 1.441 -5.365 1.00 0.00 H new ATOM 468 N ILE A 36 11.188 2.838 -2.158 1.00 0.00 N ATOM 469 CA ILE A 36 11.918 4.015 -1.709 1.00 0.00 C ATOM 470 C ILE A 36 12.048 5.046 -2.826 1.00 0.00 C ATOM 471 O ILE A 36 12.741 4.817 -3.819 1.00 0.00 O ATOM 472 CB ILE A 36 13.325 3.642 -1.201 1.00 0.00 C ATOM 473 CG1 ILE A 36 13.249 2.469 -0.217 1.00 0.00 C ATOM 474 CG2 ILE A 36 13.999 4.843 -0.555 1.00 0.00 C ATOM 475 CD1 ILE A 36 12.421 2.754 1.020 1.00 0.00 C ATOM 0 H ILE A 36 11.739 1.980 -2.167 1.00 0.00 H new ATOM 0 HA ILE A 36 11.345 4.447 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 36 13.927 3.333 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.830 1.604 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.260 2.199 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.991 4.558 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.090 5.646 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.400 5.187 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.417 1.876 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.851 3.598 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.399 2.994 0.726 1.00 0.00 H new ATOM 487 N GLY A 37 11.370 6.175 -2.654 1.00 0.00 N ATOM 488 CA GLY A 37 11.441 7.243 -3.630 1.00 0.00 C ATOM 489 C GLY A 37 10.487 7.031 -4.784 1.00 0.00 C ATOM 490 O GLY A 37 10.737 7.487 -5.902 1.00 0.00 O ATOM 0 H GLY A 37 10.770 6.369 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.214 8.192 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.459 7.316 -4.012 1.00 0.00 H new ATOM 494 N SER A 38 9.403 6.320 -4.522 1.00 0.00 N ATOM 495 CA SER A 38 8.396 6.076 -5.537 1.00 0.00 C ATOM 496 C SER A 38 7.186 6.984 -5.335 1.00 0.00 C ATOM 497 O SER A 38 6.831 7.330 -4.205 1.00 0.00 O ATOM 498 CB SER A 38 7.973 4.606 -5.514 1.00 0.00 C ATOM 499 OG SER A 38 9.031 3.770 -5.958 1.00 0.00 O ATOM 0 H SER A 38 9.199 5.902 -3.614 1.00 0.00 H new ATOM 0 HA SER A 38 8.828 6.304 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.680 4.323 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.100 4.464 -6.151 1.00 0.00 H new ATOM 0 HG SER A 38 8.696 3.156 -6.644 1.00 0.00 H new ATOM 505 N GLN A 39 6.569 7.381 -6.437 1.00 0.00 N ATOM 506 CA GLN A 39 5.398 8.241 -6.386 1.00 0.00 C ATOM 507 C GLN A 39 4.148 7.422 -6.086 1.00 0.00 C ATOM 508 O GLN A 39 3.918 6.377 -6.694 1.00 0.00 O ATOM 509 CB GLN A 39 5.233 8.997 -7.705 1.00 0.00 C ATOM 510 CG GLN A 39 4.129 10.039 -7.671 1.00 0.00 C ATOM 511 CD GLN A 39 4.662 11.455 -7.781 1.00 0.00 C ATOM 512 OE1 GLN A 39 5.437 11.904 -6.938 1.00 0.00 O ATOM 513 NE2 GLN A 39 4.269 12.159 -8.828 1.00 0.00 N ATOM 0 H GLN A 39 6.861 7.121 -7.379 1.00 0.00 H new ATOM 0 HA GLN A 39 5.538 8.967 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.175 9.485 -7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.023 8.282 -8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.432 9.852 -8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.566 9.937 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.625 11.750 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.610 13.111 -8.959 1.00 0.00 H new ATOM 522 N CYS A 40 3.359 7.891 -5.133 1.00 0.00 N ATOM 523 CA CYS A 40 2.119 7.226 -4.771 1.00 0.00 C ATOM 524 C CYS A 40 0.951 7.788 -5.572 1.00 0.00 C ATOM 525 O CYS A 40 0.397 7.115 -6.440 1.00 0.00 O ATOM 526 CB CYS A 40 1.856 7.379 -3.272 1.00 0.00 C ATOM 527 SG CYS A 40 0.269 6.685 -2.714 1.00 0.00 S ATOM 0 H CYS A 40 3.557 8.734 -4.594 1.00 0.00 H new ATOM 0 HA CYS A 40 2.216 6.166 -5.006 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.664 6.896 -2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.886 8.438 -3.016 1.00 0.00 H new ATOM 532 N GLY A 41 0.584 9.024 -5.280 1.00 0.00 N ATOM 533 CA GLY A 41 -0.557 9.631 -5.932 1.00 0.00 C ATOM 534 C GLY A 41 -1.794 9.579 -5.064 1.00 0.00 C ATOM 535 O GLY A 41 -2.568 10.535 -5.016 1.00 0.00 O ATOM 0 H GLY A 41 1.057 9.620 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.327 10.668 -6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.752 9.119 -6.874 1.00 0.00 H new ATOM 539 N ALA A 42 -1.975 8.467 -4.368 1.00 0.00 N ATOM 540 CA ALA A 42 -3.125 8.293 -3.497 1.00 0.00 C ATOM 541 C ALA A 42 -2.758 8.565 -2.040 1.00 0.00 C ATOM 542 O ALA A 42 -2.664 9.720 -1.625 1.00 0.00 O ATOM 543 CB ALA A 42 -3.701 6.899 -3.660 1.00 0.00 C ATOM 0 H ALA A 42 -1.338 7.671 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.886 9.018 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.562 6.782 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.012 6.753 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.943 6.160 -3.401 1.00 0.00 H new ATOM 549 N SER A 43 -2.536 7.507 -1.268 1.00 0.00 N ATOM 550 CA SER A 43 -2.234 7.656 0.148 1.00 0.00 C ATOM 551 C SER A 43 -1.156 6.670 0.593 1.00 0.00 C ATOM 552 O SER A 43 -1.220 5.480 0.272 1.00 0.00 O ATOM 553 CB SER A 43 -3.503 7.445 0.978 1.00 0.00 C ATOM 554 OG SER A 43 -4.624 7.174 0.147 1.00 0.00 O ATOM 0 H SER A 43 -2.560 6.542 -1.598 1.00 0.00 H new ATOM 0 HA SER A 43 -1.857 8.666 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.353 6.618 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.699 8.333 1.579 1.00 0.00 H new ATOM 0 HG SER A 43 -4.501 6.308 -0.296 1.00 0.00 H new ATOM 560 N VAL A 44 -0.175 7.176 1.331 1.00 0.00 N ATOM 561 CA VAL A 44 0.870 6.339 1.902 1.00 0.00 C ATOM 562 C VAL A 44 0.351 5.658 3.158 1.00 0.00 C ATOM 563 O VAL A 44 0.096 6.314 4.167 1.00 0.00 O ATOM 564 CB VAL A 44 2.133 7.153 2.259 1.00 0.00 C ATOM 565 CG1 VAL A 44 3.334 6.234 2.400 1.00 0.00 C ATOM 566 CG2 VAL A 44 2.397 8.228 1.215 1.00 0.00 C ATOM 0 H VAL A 44 -0.083 8.168 1.548 1.00 0.00 H new ATOM 0 HA VAL A 44 1.143 5.599 1.150 1.00 0.00 H new ATOM 0 HB VAL A 44 1.963 7.647 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.216 6.823 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.145 5.508 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.504 5.711 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.291 8.788 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.544 7.761 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.545 8.906 1.167 1.00 0.00 H new ATOM 576 N LYS A 45 0.171 4.352 3.089 1.00 0.00 N ATOM 577 CA LYS A 45 -0.380 3.599 4.202 1.00 0.00 C ATOM 578 C LYS A 45 0.608 2.549 4.678 1.00 0.00 C ATOM 579 O LYS A 45 1.223 1.854 3.871 1.00 0.00 O ATOM 580 CB LYS A 45 -1.698 2.939 3.793 1.00 0.00 C ATOM 581 CG LYS A 45 -2.751 3.927 3.314 1.00 0.00 C ATOM 582 CD LYS A 45 -4.156 3.465 3.665 1.00 0.00 C ATOM 583 CE LYS A 45 -4.366 3.411 5.167 1.00 0.00 C ATOM 584 NZ LYS A 45 -4.257 4.754 5.790 1.00 0.00 N ATOM 0 H LYS A 45 0.399 3.788 2.270 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.572 4.289 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.502 2.217 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.094 2.382 4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.566 4.903 3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.668 4.052 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.885 4.142 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.333 2.479 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.348 2.990 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.629 2.743 5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.647 4.698 6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.845 5.421 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.203 5.085 6.069 1.00 0.00 H new ATOM 598 N CYS A 46 0.759 2.440 5.987 1.00 0.00 N ATOM 599 CA CYS A 46 1.678 1.476 6.565 1.00 0.00 C ATOM 600 C CYS A 46 0.936 0.199 6.928 1.00 0.00 C ATOM 601 O CYS A 46 0.512 0.007 8.069 1.00 0.00 O ATOM 602 CB CYS A 46 2.368 2.064 7.795 1.00 0.00 C ATOM 603 SG CYS A 46 3.390 3.534 7.444 1.00 0.00 S ATOM 0 H CYS A 46 0.257 3.008 6.669 1.00 0.00 H new ATOM 0 HA CYS A 46 2.443 1.237 5.827 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.610 2.329 8.532 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.997 1.297 8.247 1.00 0.00 H new ATOM 608 N CYS A 47 0.766 -0.665 5.944 1.00 0.00 N ATOM 609 CA CYS A 47 0.062 -1.921 6.140 1.00 0.00 C ATOM 610 C CYS A 47 1.038 -3.090 6.078 1.00 0.00 C ATOM 611 O CYS A 47 2.256 -2.893 6.052 1.00 0.00 O ATOM 612 CB CYS A 47 -1.027 -2.084 5.076 1.00 0.00 C ATOM 613 SG CYS A 47 -1.907 -0.539 4.663 1.00 0.00 S ATOM 0 H CYS A 47 1.108 -0.519 4.994 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.406 -1.911 7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.576 -2.485 4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.752 -2.820 5.424 1.00 0.00 H new ATOM 618 N LYS A 48 0.509 -4.303 6.071 1.00 0.00 N ATOM 619 CA LYS A 48 1.338 -5.486 5.944 1.00 0.00 C ATOM 620 C LYS A 48 0.718 -6.432 4.931 1.00 0.00 C ATOM 621 O LYS A 48 1.332 -6.763 3.917 1.00 0.00 O ATOM 622 CB LYS A 48 1.485 -6.179 7.303 1.00 0.00 C ATOM 623 CG LYS A 48 2.282 -7.474 7.258 1.00 0.00 C ATOM 624 CD LYS A 48 1.977 -8.356 8.459 1.00 0.00 C ATOM 625 CE LYS A 48 1.510 -9.740 8.035 1.00 0.00 C ATOM 626 NZ LYS A 48 0.082 -9.974 8.377 1.00 0.00 N ATOM 0 H LYS A 48 -0.490 -4.492 6.152 1.00 0.00 H new ATOM 0 HA LYS A 48 2.330 -5.195 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.967 -5.492 7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.492 -6.390 7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.050 -8.014 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.348 -7.246 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.868 -8.447 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.209 -7.884 9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.649 -9.856 6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.128 -10.496 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.258 -10.825 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.012 -10.108 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.485 -9.154 8.082 1.00 0.00 H new ATOM 640 N ASP A 49 -0.520 -6.823 5.214 1.00 0.00 N ATOM 641 CA ASP A 49 -1.257 -7.785 4.399 1.00 0.00 C ATOM 642 C ASP A 49 -0.436 -9.062 4.208 1.00 0.00 C ATOM 643 O ASP A 49 0.244 -9.509 5.137 1.00 0.00 O ATOM 644 CB ASP A 49 -1.666 -7.180 3.050 1.00 0.00 C ATOM 645 CG ASP A 49 -2.856 -7.900 2.439 1.00 0.00 C ATOM 646 OD1 ASP A 49 -4.000 -7.681 2.905 1.00 0.00 O ATOM 647 OD2 ASP A 49 -2.646 -8.706 1.508 1.00 0.00 O ATOM 0 H ASP A 49 -1.044 -6.480 6.019 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.174 -8.044 4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.910 -6.126 3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.822 -7.226 2.362 1.00 0.00 H new ATOM 652 N ASP A 50 -0.494 -9.651 3.022 1.00 0.00 N ATOM 653 CA ASP A 50 0.289 -10.841 2.731 1.00 0.00 C ATOM 654 C ASP A 50 1.041 -10.681 1.421 1.00 0.00 C ATOM 655 O ASP A 50 0.456 -10.757 0.341 1.00 0.00 O ATOM 656 CB ASP A 50 -0.603 -12.080 2.680 1.00 0.00 C ATOM 657 CG ASP A 50 0.182 -13.356 2.911 1.00 0.00 C ATOM 658 OD1 ASP A 50 1.305 -13.472 2.386 1.00 0.00 O ATOM 659 OD2 ASP A 50 -0.322 -14.253 3.621 1.00 0.00 O ATOM 0 H ASP A 50 -1.074 -9.325 2.249 1.00 0.00 H new ATOM 0 HA ASP A 50 1.014 -10.971 3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.385 -11.994 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.099 -12.130 1.711 1.00 0.00 H new ATOM 664 N VAL A 51 2.343 -10.466 1.527 1.00 0.00 N ATOM 665 CA VAL A 51 3.186 -10.236 0.359 1.00 0.00 C ATOM 666 C VAL A 51 3.536 -11.540 -0.354 1.00 0.00 C ATOM 667 O VAL A 51 3.991 -11.522 -1.498 1.00 0.00 O ATOM 668 CB VAL A 51 4.498 -9.507 0.735 1.00 0.00 C ATOM 669 CG1 VAL A 51 4.205 -8.216 1.481 1.00 0.00 C ATOM 670 CG2 VAL A 51 5.402 -10.408 1.566 1.00 0.00 C ATOM 0 H VAL A 51 2.844 -10.446 2.415 1.00 0.00 H new ATOM 0 HA VAL A 51 2.604 -9.606 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 51 5.019 -9.259 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.143 -7.721 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.607 -7.559 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.655 -8.441 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.318 -9.873 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.886 -10.695 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.650 -11.302 0.994 1.00 0.00 H new ATOM 680 N THR A 52 3.332 -12.669 0.313 1.00 0.00 N ATOM 681 CA THR A 52 3.735 -13.949 -0.252 1.00 0.00 C ATOM 682 C THR A 52 2.531 -14.722 -0.789 1.00 0.00 C ATOM 683 O THR A 52 2.653 -15.470 -1.762 1.00 0.00 O ATOM 684 CB THR A 52 4.535 -14.808 0.768 1.00 0.00 C ATOM 685 OG1 THR A 52 4.218 -16.201 0.635 1.00 0.00 O ATOM 686 CG2 THR A 52 4.270 -14.363 2.196 1.00 0.00 C ATOM 0 H THR A 52 2.896 -12.725 1.233 1.00 0.00 H new ATOM 0 HA THR A 52 4.400 -13.733 -1.089 1.00 0.00 H new ATOM 0 HB THR A 52 5.592 -14.662 0.546 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.736 -16.718 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.845 -14.984 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.567 -13.321 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.208 -14.464 2.417 1.00 0.00 H new ATOM 694 N ASN A 53 1.367 -14.531 -0.170 1.00 0.00 N ATOM 695 CA ASN A 53 0.139 -15.182 -0.631 1.00 0.00 C ATOM 696 C ASN A 53 -0.451 -14.441 -1.824 1.00 0.00 C ATOM 697 O ASN A 53 -0.700 -15.033 -2.875 1.00 0.00 O ATOM 698 CB ASN A 53 -0.905 -15.240 0.484 1.00 0.00 C ATOM 699 CG ASN A 53 -1.043 -16.619 1.096 1.00 0.00 C ATOM 700 OD1 ASN A 53 -1.242 -17.610 0.393 1.00 0.00 O ATOM 701 ND2 ASN A 53 -0.943 -16.688 2.415 1.00 0.00 N ATOM 0 H ASN A 53 1.247 -13.934 0.648 1.00 0.00 H new ATOM 0 HA ASN A 53 0.402 -16.197 -0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.635 -14.528 1.264 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.870 -14.927 0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.031 -17.588 2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.778 -15.841 2.959 1.00 0.00 H new ATOM 708 N THR A 54 -0.676 -13.141 -1.657 1.00 0.00 N ATOM 709 CA THR A 54 -1.275 -12.324 -2.699 1.00 0.00 C ATOM 710 C THR A 54 -0.238 -11.929 -3.745 1.00 0.00 C ATOM 711 O THR A 54 0.249 -10.799 -3.761 1.00 0.00 O ATOM 712 CB THR A 54 -1.909 -11.055 -2.100 1.00 0.00 C ATOM 713 OG1 THR A 54 -2.051 -11.207 -0.678 1.00 0.00 O ATOM 714 CG2 THR A 54 -3.269 -10.778 -2.727 1.00 0.00 C ATOM 0 H THR A 54 -0.450 -12.631 -0.803 1.00 0.00 H new ATOM 0 HA THR A 54 -2.052 -12.919 -3.179 1.00 0.00 H new ATOM 0 HB THR A 54 -1.254 -10.210 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.214 -10.952 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.696 -9.877 -2.287 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.152 -10.637 -3.802 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.934 -11.622 -2.542 1.00 0.00 H new ATOM 722 N GLY A 55 0.104 -12.877 -4.604 1.00 0.00 N ATOM 723 CA GLY A 55 1.072 -12.622 -5.647 1.00 0.00 C ATOM 724 C GLY A 55 0.539 -11.692 -6.717 1.00 0.00 C ATOM 725 O GLY A 55 -0.269 -12.096 -7.558 1.00 0.00 O ATOM 0 H GLY A 55 -0.275 -13.824 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.970 -12.188 -5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.366 -13.567 -6.105 1.00 0.00 H new ATOM 729 N ASN A 56 0.970 -10.440 -6.669 1.00 0.00 N ATOM 730 CA ASN A 56 0.597 -9.453 -7.671 1.00 0.00 C ATOM 731 C ASN A 56 1.585 -8.293 -7.648 1.00 0.00 C ATOM 732 O ASN A 56 2.447 -8.228 -6.774 1.00 0.00 O ATOM 733 CB ASN A 56 -0.827 -8.942 -7.431 1.00 0.00 C ATOM 734 CG ASN A 56 -1.523 -8.535 -8.720 1.00 0.00 C ATOM 735 OD1 ASN A 56 -2.461 -7.738 -8.706 1.00 0.00 O ATOM 736 ND2 ASN A 56 -1.073 -9.082 -9.841 1.00 0.00 N ATOM 0 H ASN A 56 1.585 -10.081 -5.938 1.00 0.00 H new ATOM 0 HA ASN A 56 0.625 -9.928 -8.652 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.410 -9.719 -6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.794 -8.088 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.507 -8.846 -10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.293 -9.739 -9.811 1.00 0.00 H new ATOM 743 N SER A 57 1.455 -7.381 -8.604 1.00 0.00 N ATOM 744 CA SER A 57 2.347 -6.231 -8.693 1.00 0.00 C ATOM 745 C SER A 57 1.950 -5.154 -7.684 1.00 0.00 C ATOM 746 O SER A 57 2.673 -4.174 -7.474 1.00 0.00 O ATOM 747 CB SER A 57 2.313 -5.667 -10.111 1.00 0.00 C ATOM 748 OG SER A 57 1.329 -6.329 -10.895 1.00 0.00 O ATOM 0 H SER A 57 0.739 -7.416 -9.330 1.00 0.00 H new ATOM 0 HA SER A 57 3.361 -6.555 -8.457 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.099 -4.599 -10.077 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.292 -5.781 -10.576 1.00 0.00 H new ATOM 0 HG SER A 57 0.437 -6.029 -10.622 1.00 0.00 H new ATOM 754 N PHE A 58 0.794 -5.344 -7.069 1.00 0.00 N ATOM 755 CA PHE A 58 0.316 -4.466 -6.019 1.00 0.00 C ATOM 756 C PHE A 58 -0.573 -5.258 -5.072 1.00 0.00 C ATOM 757 O PHE A 58 -1.204 -6.234 -5.479 1.00 0.00 O ATOM 758 CB PHE A 58 -0.420 -3.255 -6.615 1.00 0.00 C ATOM 759 CG PHE A 58 -1.883 -3.468 -6.900 1.00 0.00 C ATOM 760 CD1 PHE A 58 -2.293 -4.242 -7.976 1.00 0.00 C ATOM 761 CD2 PHE A 58 -2.847 -2.881 -6.098 1.00 0.00 C ATOM 762 CE1 PHE A 58 -3.636 -4.425 -8.243 1.00 0.00 C ATOM 763 CE2 PHE A 58 -4.191 -3.057 -6.361 1.00 0.00 C ATOM 764 CZ PHE A 58 -4.587 -3.834 -7.435 1.00 0.00 C ATOM 0 H PHE A 58 0.161 -6.114 -7.286 1.00 0.00 H new ATOM 0 HA PHE A 58 1.162 -4.075 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.319 -2.415 -5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.076 -2.969 -7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.554 -4.707 -8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.544 -2.277 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.942 -5.030 -9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.932 -2.589 -5.730 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.637 -3.978 -7.641 1.00 0.00 H new ATOM 774 N LEU A 59 -0.614 -4.853 -3.817 1.00 0.00 N ATOM 775 CA LEU A 59 -1.304 -5.629 -2.802 1.00 0.00 C ATOM 776 C LEU A 59 -2.671 -5.047 -2.492 1.00 0.00 C ATOM 777 O LEU A 59 -2.788 -3.925 -1.998 1.00 0.00 O ATOM 778 CB LEU A 59 -0.468 -5.693 -1.523 1.00 0.00 C ATOM 779 CG LEU A 59 0.781 -6.575 -1.600 1.00 0.00 C ATOM 780 CD1 LEU A 59 1.384 -6.755 -0.219 1.00 0.00 C ATOM 781 CD2 LEU A 59 0.450 -7.927 -2.219 1.00 0.00 C ATOM 0 H LEU A 59 -0.180 -3.995 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.443 -6.636 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.162 -4.681 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.100 -6.057 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 59 1.513 -6.080 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.271 -7.384 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.660 -5.782 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.654 -7.228 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.352 -8.537 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.300 -8.432 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.061 -7.780 -3.226 1.00 0.00 H new ATOM 793 N ILE A 60 -3.705 -5.808 -2.802 1.00 0.00 N ATOM 794 CA ILE A 60 -5.051 -5.453 -2.395 1.00 0.00 C ATOM 795 C ILE A 60 -5.266 -5.912 -0.960 1.00 0.00 C ATOM 796 O ILE A 60 -5.331 -7.110 -0.692 1.00 0.00 O ATOM 797 CB ILE A 60 -6.124 -6.091 -3.303 1.00 0.00 C ATOM 798 CG1 ILE A 60 -5.698 -6.028 -4.772 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.465 -5.393 -3.110 1.00 0.00 C ATOM 800 CD1 ILE A 60 -6.041 -7.276 -5.559 1.00 0.00 C ATOM 0 H ILE A 60 -3.638 -6.676 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.154 -4.371 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.231 -7.139 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.176 -5.169 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.622 -5.862 -4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.212 -5.854 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.778 -5.487 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.366 -4.338 -3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.709 -7.158 -6.591 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.542 -8.136 -5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.119 -7.433 -5.540 1.00 0.00 H new ATOM 812 N ILE A 61 -5.381 -4.963 -0.049 1.00 0.00 N ATOM 813 CA ILE A 61 -5.441 -5.274 1.371 1.00 0.00 C ATOM 814 C ILE A 61 -6.820 -5.781 1.754 1.00 0.00 C ATOM 815 O ILE A 61 -7.838 -5.213 1.350 1.00 0.00 O ATOM 816 CB ILE A 61 -5.112 -4.041 2.243 1.00 0.00 C ATOM 817 CG1 ILE A 61 -3.980 -3.219 1.619 1.00 0.00 C ATOM 818 CG2 ILE A 61 -4.750 -4.464 3.662 1.00 0.00 C ATOM 819 CD1 ILE A 61 -2.662 -3.956 1.525 1.00 0.00 C ATOM 0 H ILE A 61 -5.435 -3.968 -0.266 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.695 -6.047 1.553 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.002 -3.413 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.281 -2.906 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.836 -2.313 2.207 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.522 -3.580 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.590 -4.996 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.879 -5.118 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.913 -3.306 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.335 -4.246 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.787 -4.848 0.911 1.00 0.00 H new ATOM 831 N ASN A 62 -6.841 -6.842 2.550 1.00 0.00 N ATOM 832 CA ASN A 62 -8.089 -7.425 3.031 1.00 0.00 C ATOM 833 C ASN A 62 -8.646 -6.612 4.202 1.00 0.00 C ATOM 834 O ASN A 62 -9.149 -7.173 5.175 1.00 0.00 O ATOM 835 CB ASN A 62 -7.860 -8.877 3.461 1.00 0.00 C ATOM 836 CG ASN A 62 -9.153 -9.662 3.571 1.00 0.00 C ATOM 837 OD1 ASN A 62 -9.960 -9.686 2.641 1.00 0.00 O ATOM 838 ND2 ASN A 62 -9.357 -10.299 4.712 1.00 0.00 N ATOM 0 H ASN A 62 -6.002 -7.320 2.879 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.816 -7.405 2.219 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.202 -9.366 2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.347 -8.891 4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.212 -10.839 4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.660 -10.251 5.455 1.00 0.00 H new ATOM 845 N ALA A 63 -8.542 -5.284 4.086 1.00 0.00 N ATOM 846 CA ALA A 63 -8.995 -4.344 5.115 1.00 0.00 C ATOM 847 C ALA A 63 -8.200 -4.493 6.414 1.00 0.00 C ATOM 848 O ALA A 63 -7.341 -3.666 6.727 1.00 0.00 O ATOM 849 CB ALA A 63 -10.490 -4.495 5.375 1.00 0.00 C ATOM 0 H ALA A 63 -8.138 -4.828 3.268 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.813 -3.339 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.799 -3.786 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.041 -4.298 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.700 -5.510 5.713 1.00 0.00 H new ATOM 855 N ALA A 64 -8.463 -5.570 7.138 1.00 0.00 N ATOM 856 CA ALA A 64 -7.872 -5.792 8.452 1.00 0.00 C ATOM 857 C ALA A 64 -6.444 -6.323 8.354 1.00 0.00 C ATOM 858 O ALA A 64 -6.136 -7.415 8.829 1.00 0.00 O ATOM 859 CB ALA A 64 -8.741 -6.747 9.257 1.00 0.00 C ATOM 0 H ALA A 64 -9.091 -6.314 6.834 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.824 -4.830 8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.293 -6.908 10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.736 -6.319 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.818 -7.699 8.732 1.00 0.00 H new ATOM 865 N ASN A 65 -5.577 -5.549 7.722 1.00 0.00 N ATOM 866 CA ASN A 65 -4.154 -5.862 7.676 1.00 0.00 C ATOM 867 C ASN A 65 -3.346 -4.580 7.556 1.00 0.00 C ATOM 868 O ASN A 65 -2.212 -4.569 7.074 1.00 0.00 O ATOM 869 CB ASN A 65 -3.837 -6.800 6.520 1.00 0.00 C ATOM 870 CG ASN A 65 -2.994 -7.975 6.968 1.00 0.00 C ATOM 871 OD1 ASN A 65 -1.996 -7.813 7.672 1.00 0.00 O ATOM 872 ND2 ASN A 65 -3.370 -9.159 6.536 1.00 0.00 N ATOM 0 H ASN A 65 -5.834 -4.693 7.230 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.883 -6.369 8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.766 -7.165 6.082 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.310 -6.251 5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.828 -9.987 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.203 -9.249 5.955 1.00 0.00 H new ATOM 879 N CYS A 66 -3.965 -3.502 7.992 1.00 0.00 N ATOM 880 CA CYS A 66 -3.343 -2.190 8.020 1.00 0.00 C ATOM 881 C CYS A 66 -3.661 -1.518 9.351 1.00 0.00 C ATOM 882 O CYS A 66 -4.571 -1.951 10.058 1.00 0.00 O ATOM 883 CB CYS A 66 -3.848 -1.333 6.856 1.00 0.00 C ATOM 884 SG CYS A 66 -2.744 0.047 6.418 1.00 0.00 S ATOM 0 H CYS A 66 -4.923 -3.510 8.341 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.263 -2.298 7.916 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.982 -1.969 5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.829 -0.933 7.112 1.00 0.00 H new ATOM 889 N VAL A 67 -2.910 -0.483 9.702 1.00 0.00 N ATOM 890 CA VAL A 67 -3.132 0.214 10.962 1.00 0.00 C ATOM 891 C VAL A 67 -4.302 1.187 10.847 1.00 0.00 C ATOM 892 O VAL A 67 -5.413 0.895 11.293 1.00 0.00 O ATOM 893 CB VAL A 67 -1.875 0.984 11.424 1.00 0.00 C ATOM 894 CG1 VAL A 67 -1.970 1.334 12.900 1.00 0.00 C ATOM 895 CG2 VAL A 67 -0.615 0.182 11.147 1.00 0.00 C ATOM 0 H VAL A 67 -2.147 -0.109 9.137 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.363 -0.549 11.706 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.821 1.911 10.854 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.074 1.876 13.204 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.847 1.958 13.070 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.057 0.419 13.486 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.256 0.746 11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.662 -0.766 11.683 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.534 -0.010 10.077 1.00 0.00 H new ATOM 905 N ALA A 68 -4.051 2.333 10.232 1.00 0.00 N ATOM 906 CA ALA A 68 -5.068 3.355 10.062 1.00 0.00 C ATOM 907 C ALA A 68 -4.766 4.177 8.821 1.00 0.00 C ATOM 908 O ALA A 68 -3.656 4.017 8.267 1.00 0.00 O ATOM 909 CB ALA A 68 -5.143 4.249 11.293 1.00 0.00 C ATOM 910 OXT ALA A 68 -5.633 4.966 8.389 1.00 0.00 O ATOM 0 H ALA A 68 -3.142 2.578 9.840 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.037 2.872 9.939 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.911 5.008 11.145 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.392 3.646 12.166 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.179 4.734 11.450 1.00 0.00 H new