USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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 19 ASN : amide:sc= 0.0909 K(o=0.027,f=-1) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0636 K(o=0.027,f=-0.92) USER MOD Set 2.1: A 1 LEU N :NH3+ 149:sc= 1.31 (180deg=-0.0047) USER MOD Set 2.2: A 13 THR OG1 : rot 180:sc= 0.751 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.213 K(o=0.21,f=-1.6) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 160:sc= 0.00849 USER MOD Single : A 12 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0821) USER MOD Single : A 18 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.655) USER MOD Single : A 22 TYR OH : rot 77:sc= 1.01 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.765) USER MOD Single : A 45 ASN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.707 K(o=0.71,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.045 12.567 0.555 1.00 2.00 N ATOM 2 CA LEU A 1 -0.597 11.411 -0.215 1.00 2.00 C ATOM 3 C LEU A 1 -1.427 10.446 0.699 1.00 2.00 C ATOM 4 O LEU A 1 -0.883 10.039 1.716 1.00 2.00 O ATOM 5 CB LEU A 1 0.649 10.730 -0.848 1.00 2.00 C ATOM 6 CG LEU A 1 0.473 9.544 -1.828 1.00 2.00 C ATOM 7 CD1 LEU A 1 0.112 8.202 -1.182 1.00 2.00 C ATOM 8 CD2 LEU A 1 -0.485 9.837 -2.973 1.00 2.00 C ATOM 0 H1 LEU A 1 0.856 12.867 0.132 1.00 2.00 H new ATOM 0 H2 LEU A 1 -0.721 13.357 0.527 1.00 2.00 H new ATOM 0 H3 LEU A 1 0.114 12.282 1.542 1.00 2.00 H new ATOM 0 HA LEU A 1 -1.307 11.722 -0.981 1.00 2.00 H new ATOM 0 HB2 LEU A 1 1.208 11.504 -1.374 1.00 2.00 H new ATOM 0 HB3 LEU A 1 1.279 10.382 -0.029 1.00 2.00 H new ATOM 0 HG LEU A 1 1.479 9.433 -2.232 1.00 2.00 H new ATOM 0 HD11 LEU A 1 0.012 7.441 -1.956 1.00 2.00 H new ATOM 0 HD12 LEU A 1 0.898 7.910 -0.485 1.00 2.00 H new ATOM 0 HD13 LEU A 1 -0.831 8.299 -0.645 1.00 2.00 H new ATOM 0 HD21 LEU A 1 -0.559 8.962 -3.619 1.00 2.00 H new ATOM 0 HD22 LEU A 1 -1.470 10.076 -2.571 1.00 2.00 H new ATOM 0 HD23 LEU A 1 -0.114 10.684 -3.551 1.00 2.00 H new ATOM 22 N LYS A 2 -2.731 10.183 0.461 1.00 2.00 N ATOM 23 CA LYS A 2 -3.580 9.255 1.304 1.00 2.00 C ATOM 24 C LYS A 2 -4.108 8.093 0.412 1.00 2.00 C ATOM 25 O LYS A 2 -3.876 6.929 0.731 1.00 2.00 O ATOM 26 CB LYS A 2 -4.761 9.877 2.112 1.00 2.00 C ATOM 27 CG LYS A 2 -5.575 8.899 3.008 1.00 2.00 C ATOM 28 CD LYS A 2 -4.839 8.135 4.128 1.00 2.00 C ATOM 29 CE LYS A 2 -5.783 7.152 4.839 1.00 2.00 C ATOM 30 NZ LYS A 2 -5.065 6.423 5.903 1.00 2.00 N ATOM 0 H LYS A 2 -3.243 10.599 -0.317 1.00 2.00 H new ATOM 0 HA LYS A 2 -2.898 8.917 2.084 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -4.362 10.669 2.745 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.447 10.347 1.408 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -6.382 9.468 3.471 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -6.040 8.161 2.354 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -3.993 7.592 3.707 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -4.435 8.843 4.851 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -6.627 7.694 5.267 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -6.192 6.445 4.117 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -5.717 5.763 6.373 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -4.275 5.891 5.486 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -4.696 7.101 6.600 1.00 2.00 H new ATOM 43 N CYS A 3 -4.794 8.416 -0.702 1.00 2.00 N ATOM 44 CA CYS A 3 -5.357 7.423 -1.643 1.00 2.00 C ATOM 45 C CYS A 3 -6.666 6.730 -1.143 1.00 2.00 C ATOM 46 O CYS A 3 -7.280 7.114 -0.143 1.00 2.00 O ATOM 47 CB CYS A 3 -4.260 6.491 -2.227 1.00 2.00 C ATOM 48 SG CYS A 3 -2.664 7.282 -2.429 1.00 2.00 S ATOM 0 H CYS A 3 -4.975 9.381 -0.978 1.00 2.00 H new ATOM 0 HA CYS A 3 -5.728 7.976 -2.506 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -4.146 5.627 -1.573 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -4.593 6.116 -3.195 1.00 2.00 H new ATOM 53 N ASN A 4 -7.118 5.727 -1.896 1.00 2.00 N ATOM 54 CA ASN A 4 -8.342 4.968 -1.571 1.00 2.00 C ATOM 55 C ASN A 4 -8.127 3.707 -0.696 1.00 2.00 C ATOM 56 O ASN A 4 -7.048 3.122 -0.711 1.00 2.00 O ATOM 57 CB ASN A 4 -8.960 4.513 -2.935 1.00 2.00 C ATOM 58 CG ASN A 4 -9.345 5.580 -3.967 1.00 2.00 C ATOM 59 OD1 ASN A 4 -9.868 6.644 -3.665 1.00 2.00 O ATOM 60 ND2 ASN A 4 -9.120 5.326 -5.228 1.00 2.00 N ATOM 0 H ASN A 4 -6.653 5.413 -2.748 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.981 5.627 -0.983 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -8.249 3.837 -3.410 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.854 3.931 -2.714 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -9.379 6.009 -5.940 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -8.685 4.445 -5.501 1.00 2.00 H new ATOM 67 N LYS A 5 -9.145 3.310 0.084 1.00 2.00 N ATOM 68 CA LYS A 5 -9.084 2.101 0.964 1.00 2.00 C ATOM 69 C LYS A 5 -9.628 0.919 0.069 1.00 2.00 C ATOM 70 O LYS A 5 -9.510 0.966 -1.165 1.00 2.00 O ATOM 71 CB LYS A 5 -9.820 2.416 2.300 1.00 2.00 C ATOM 72 CG LYS A 5 -11.359 2.628 2.241 1.00 2.00 C ATOM 73 CD LYS A 5 -12.012 3.015 3.582 1.00 2.00 C ATOM 74 CE LYS A 5 -11.688 4.441 4.055 1.00 2.00 C ATOM 75 NZ LYS A 5 -12.440 4.718 5.294 1.00 2.00 N ATOM 0 H LYS A 5 -10.035 3.806 0.132 1.00 2.00 H new ATOM 0 HA LYS A 5 -8.094 1.799 1.307 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -9.620 1.600 2.994 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -9.373 3.314 2.726 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.576 3.407 1.510 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -11.824 1.711 1.878 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -13.093 2.912 3.489 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -11.689 2.309 4.347 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -10.618 4.545 4.233 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -11.954 5.163 3.283 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -12.227 5.682 5.622 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -13.460 4.634 5.107 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -12.164 4.034 6.028 1.00 2.00 H new ATOM 88 N LEU A 6 -10.148 -0.198 0.604 1.00 2.00 N ATOM 89 CA LEU A 6 -10.674 -1.323 -0.258 1.00 2.00 C ATOM 90 C LEU A 6 -11.773 -0.902 -1.317 1.00 2.00 C ATOM 91 O LEU A 6 -11.822 -1.431 -2.430 1.00 2.00 O ATOM 92 CB LEU A 6 -11.221 -2.438 0.689 1.00 2.00 C ATOM 93 CG LEU A 6 -10.256 -3.584 1.054 1.00 2.00 C ATOM 94 CD1 LEU A 6 -9.945 -4.455 -0.171 1.00 2.00 C ATOM 95 CD2 LEU A 6 -8.971 -3.077 1.719 1.00 2.00 C ATOM 0 H LEU A 6 -10.225 -0.366 1.607 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.841 -1.677 -0.865 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -11.550 -1.965 1.614 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -12.104 -2.875 0.223 1.00 2.00 H new ATOM 0 HG LEU A 6 -10.765 -4.205 1.791 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -9.262 -5.255 0.115 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -10.869 -4.887 -0.555 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -9.482 -3.843 -0.945 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -8.326 -3.923 1.956 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -8.451 -2.403 1.038 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -9.222 -2.544 2.636 1.00 2.00 H new ATOM 107 N ILE A 7 -12.611 0.077 -0.953 1.00 2.00 N ATOM 108 CA ILE A 7 -13.706 0.623 -1.790 1.00 2.00 C ATOM 109 C ILE A 7 -13.172 1.581 -2.935 1.00 2.00 C ATOM 110 O ILE A 7 -12.225 2.340 -2.680 1.00 2.00 O ATOM 111 CB ILE A 7 -14.719 1.352 -0.819 1.00 2.00 C ATOM 112 CG1 ILE A 7 -15.400 0.401 0.220 1.00 2.00 C ATOM 113 CG2 ILE A 7 -15.854 2.138 -1.534 1.00 2.00 C ATOM 114 CD1 ILE A 7 -15.865 1.095 1.515 1.00 2.00 C ATOM 0 H ILE A 7 -12.550 0.530 -0.041 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.210 -0.185 -2.319 1.00 2.00 H new ATOM 0 HB ILE A 7 -14.063 2.056 -0.307 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -16.260 -0.074 -0.251 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -14.700 -0.393 0.480 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -16.499 2.604 -0.789 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -15.418 2.909 -2.170 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -16.442 1.453 -2.145 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -16.325 0.361 2.176 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -15.007 1.546 2.014 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -16.592 1.870 1.272 1.00 2.00 H new ATOM 126 N PRO A 8 -13.714 1.597 -4.197 1.00 2.00 N ATOM 127 CA PRO A 8 -13.221 2.505 -5.281 1.00 2.00 C ATOM 128 C PRO A 8 -13.199 4.049 -4.995 1.00 2.00 C ATOM 129 O PRO A 8 -12.256 4.732 -5.397 1.00 2.00 O ATOM 130 CB PRO A 8 -14.126 2.124 -6.470 1.00 2.00 C ATOM 131 CG PRO A 8 -14.536 0.676 -6.209 1.00 2.00 C ATOM 132 CD PRO A 8 -14.681 0.591 -4.691 1.00 2.00 C ATOM 0 HA PRO A 8 -12.154 2.351 -5.441 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -14.997 2.776 -6.527 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -13.594 2.219 -7.417 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -15.471 0.431 -6.712 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -13.784 -0.022 -6.576 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -15.698 0.820 -4.371 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -14.447 -0.407 -4.320 1.00 2.00 H new ATOM 140 N ILE A 9 -14.233 4.581 -4.322 1.00 2.00 N ATOM 141 CA ILE A 9 -14.352 6.029 -3.976 1.00 2.00 C ATOM 142 C ILE A 9 -13.880 6.298 -2.506 1.00 2.00 C ATOM 143 O ILE A 9 -14.660 6.174 -1.557 1.00 2.00 O ATOM 144 CB ILE A 9 -15.784 6.557 -4.367 1.00 2.00 C ATOM 145 CG1 ILE A 9 -15.951 8.099 -4.235 1.00 2.00 C ATOM 146 CG2 ILE A 9 -16.976 5.875 -3.639 1.00 2.00 C ATOM 147 CD1 ILE A 9 -15.040 8.941 -5.149 1.00 2.00 C ATOM 0 H ILE A 9 -15.022 4.023 -3.995 1.00 2.00 H new ATOM 0 HA ILE A 9 -13.665 6.631 -4.572 1.00 2.00 H new ATOM 0 HB ILE A 9 -15.830 6.273 -5.418 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -16.989 8.355 -4.449 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -15.760 8.381 -3.200 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -17.912 6.315 -3.983 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -16.974 4.807 -3.859 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -16.879 6.024 -2.564 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -15.234 10.000 -4.980 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -13.996 8.723 -4.923 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -15.244 8.696 -6.191 1.00 2.00 H new ATOM 159 N ALA A 10 -12.594 6.652 -2.311 1.00 2.00 N ATOM 160 CA ALA A 10 -12.030 6.933 -0.963 1.00 2.00 C ATOM 161 C ALA A 10 -11.154 8.248 -0.870 1.00 2.00 C ATOM 162 O ALA A 10 -11.181 9.130 -1.734 1.00 2.00 O ATOM 163 CB ALA A 10 -11.602 5.584 -0.344 1.00 2.00 C ATOM 0 H ALA A 10 -11.919 6.752 -3.069 1.00 2.00 H new ATOM 0 HA ALA A 10 -12.758 7.306 -0.243 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -11.183 5.755 0.648 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -12.470 4.929 -0.263 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -10.851 5.114 -0.979 1.00 2.00 H new ATOM 169 N SER A 11 -10.417 8.390 0.237 1.00 2.00 N ATOM 170 CA SER A 11 -9.526 9.547 0.555 1.00 2.00 C ATOM 171 C SER A 11 -8.517 10.274 -0.429 1.00 2.00 C ATOM 172 O SER A 11 -8.160 9.810 -1.515 1.00 2.00 O ATOM 173 CB SER A 11 -8.972 9.216 1.968 1.00 2.00 C ATOM 174 OG SER A 11 -8.593 10.404 2.672 1.00 2.00 O ATOM 0 H SER A 11 -10.414 7.684 0.973 1.00 2.00 H new ATOM 0 HA SER A 11 -10.176 10.413 0.430 1.00 2.00 H new ATOM 0 HB2 SER A 11 -9.728 8.678 2.540 1.00 2.00 H new ATOM 0 HB3 SER A 11 -8.110 8.555 1.877 1.00 2.00 H new ATOM 0 HG SER A 11 -8.557 10.217 3.633 1.00 2.00 H new ATOM 180 N LYS A 12 -8.058 11.473 0.014 1.00 2.00 N ATOM 181 CA LYS A 12 -7.110 12.358 -0.725 1.00 2.00 C ATOM 182 C LYS A 12 -5.602 12.499 -0.285 1.00 2.00 C ATOM 183 O LYS A 12 -4.745 11.927 -0.969 1.00 2.00 O ATOM 184 CB LYS A 12 -7.850 13.734 -0.793 1.00 2.00 C ATOM 185 CG LYS A 12 -7.264 14.791 -1.764 1.00 2.00 C ATOM 186 CD LYS A 12 -7.708 16.243 -1.468 1.00 2.00 C ATOM 187 CE LYS A 12 -9.196 16.575 -1.695 1.00 2.00 C ATOM 188 NZ LYS A 12 -10.022 16.244 -0.514 1.00 2.00 N ATOM 0 H LYS A 12 -8.340 11.863 0.913 1.00 2.00 H new ATOM 0 HA LYS A 12 -6.912 11.867 -1.678 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -8.886 13.550 -1.076 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -7.864 14.163 0.209 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -6.176 14.741 -1.723 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -7.557 14.534 -2.782 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -7.464 16.468 -0.430 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -7.112 16.913 -2.087 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -9.300 17.635 -1.925 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -9.563 16.023 -2.561 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -10.860 15.708 -0.816 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -9.464 15.670 0.150 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -10.323 17.122 -0.044 1.00 2.00 H new ATOM 201 N THR A 13 -5.241 13.224 0.810 1.00 2.00 N ATOM 202 CA THR A 13 -3.810 13.389 1.248 1.00 2.00 C ATOM 203 C THR A 13 -3.381 13.242 2.765 1.00 2.00 C ATOM 204 O THR A 13 -3.830 13.974 3.645 1.00 2.00 O ATOM 205 CB THR A 13 -3.264 14.722 0.630 1.00 2.00 C ATOM 206 OG1 THR A 13 -1.861 14.829 0.844 1.00 2.00 O ATOM 207 CG2 THR A 13 -3.864 16.041 1.150 1.00 2.00 C ATOM 0 H THR A 13 -5.912 13.705 1.409 1.00 2.00 H new ATOM 0 HA THR A 13 -3.346 12.480 0.865 1.00 2.00 H new ATOM 0 HB THR A 13 -3.557 14.625 -0.415 1.00 2.00 H new ATOM 0 HG1 THR A 13 -1.533 15.665 0.452 1.00 2.00 H new ATOM 0 HG21 THR A 13 -3.396 16.881 0.637 1.00 2.00 H new ATOM 0 HG22 THR A 13 -4.937 16.053 0.960 1.00 2.00 H new ATOM 0 HG23 THR A 13 -3.685 16.125 2.222 1.00 2.00 H new ATOM 215 N CYS A 14 -2.415 12.333 3.015 1.00 2.00 N ATOM 216 CA CYS A 14 -1.823 12.006 4.346 1.00 2.00 C ATOM 217 C CYS A 14 -0.349 12.622 4.424 1.00 2.00 C ATOM 218 O CYS A 14 0.152 13.109 3.396 1.00 2.00 O ATOM 219 CB CYS A 14 -1.980 10.473 4.621 1.00 2.00 C ATOM 220 SG CYS A 14 -0.498 9.445 4.363 1.00 2.00 S ATOM 0 H CYS A 14 -2.002 11.777 2.266 1.00 2.00 H new ATOM 0 HA CYS A 14 -2.352 12.473 5.177 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -2.310 10.343 5.652 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -2.776 10.091 3.981 1.00 2.00 H new ATOM 225 N PRO A 15 0.393 12.632 5.571 1.00 2.00 N ATOM 226 CA PRO A 15 1.779 13.213 5.663 1.00 2.00 C ATOM 227 C PRO A 15 2.943 12.898 4.658 1.00 2.00 C ATOM 228 O PRO A 15 2.787 12.098 3.742 1.00 2.00 O ATOM 229 CB PRO A 15 2.150 12.816 7.114 1.00 2.00 C ATOM 230 CG PRO A 15 0.833 12.777 7.881 1.00 2.00 C ATOM 231 CD PRO A 15 -0.136 12.172 6.874 1.00 2.00 C ATOM 0 HA PRO A 15 1.704 14.260 5.371 1.00 2.00 H new ATOM 0 HB2 PRO A 15 2.647 11.846 7.140 1.00 2.00 H new ATOM 0 HB3 PRO A 15 2.838 13.538 7.554 1.00 2.00 H new ATOM 0 HG2 PRO A 15 0.909 12.169 8.782 1.00 2.00 H new ATOM 0 HG3 PRO A 15 0.519 13.773 8.194 1.00 2.00 H new ATOM 0 HD2 PRO A 15 -0.155 11.084 6.938 1.00 2.00 H new ATOM 0 HD3 PRO A 15 -1.156 12.519 7.039 1.00 2.00 H new ATOM 239 N ALA A 16 4.081 13.609 4.848 1.00 2.00 N ATOM 240 CA ALA A 16 5.353 13.524 4.057 1.00 2.00 C ATOM 241 C ALA A 16 5.400 13.202 2.521 1.00 2.00 C ATOM 242 O ALA A 16 4.388 13.199 1.812 1.00 2.00 O ATOM 243 CB ALA A 16 6.230 12.594 4.944 1.00 2.00 C ATOM 0 H ALA A 16 4.150 14.298 5.597 1.00 2.00 H new ATOM 0 HA ALA A 16 5.701 14.544 3.894 1.00 2.00 H new ATOM 0 HB1 ALA A 16 7.201 12.450 4.471 1.00 2.00 H new ATOM 0 HB2 ALA A 16 6.368 13.050 5.924 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.736 11.629 5.060 1.00 2.00 H new ATOM 249 N GLY A 17 6.621 13.011 1.969 1.00 2.00 N ATOM 250 CA GLY A 17 6.805 12.685 0.514 1.00 2.00 C ATOM 251 C GLY A 17 6.620 11.179 0.179 1.00 2.00 C ATOM 252 O GLY A 17 7.321 10.615 -0.663 1.00 2.00 O ATOM 0 H GLY A 17 7.493 13.074 2.494 1.00 2.00 H new ATOM 0 HA2 GLY A 17 6.094 13.268 -0.072 1.00 2.00 H new ATOM 0 HA3 GLY A 17 7.803 12.996 0.205 1.00 2.00 H new ATOM 256 N LYS A 18 5.640 10.543 0.838 1.00 2.00 N ATOM 257 CA LYS A 18 5.283 9.119 0.680 1.00 2.00 C ATOM 258 C LYS A 18 4.345 8.962 -0.564 1.00 2.00 C ATOM 259 O LYS A 18 3.143 8.746 -0.452 1.00 2.00 O ATOM 260 CB LYS A 18 4.733 8.603 2.041 1.00 2.00 C ATOM 261 CG LYS A 18 3.637 9.396 2.773 1.00 2.00 C ATOM 262 CD LYS A 18 2.809 8.596 3.800 1.00 2.00 C ATOM 263 CE LYS A 18 3.403 8.409 5.204 1.00 2.00 C ATOM 264 NZ LYS A 18 4.491 7.411 5.218 1.00 2.00 N ATOM 0 H LYS A 18 5.051 11.020 1.521 1.00 2.00 H new ATOM 0 HA LYS A 18 6.137 8.479 0.455 1.00 2.00 H new ATOM 0 HB2 LYS A 18 4.350 7.596 1.876 1.00 2.00 H new ATOM 0 HB3 LYS A 18 5.580 8.515 2.721 1.00 2.00 H new ATOM 0 HG2 LYS A 18 4.103 10.238 3.285 1.00 2.00 H new ATOM 0 HG3 LYS A 18 2.957 9.812 2.030 1.00 2.00 H new ATOM 0 HD2 LYS A 18 1.842 9.087 3.907 1.00 2.00 H new ATOM 0 HD3 LYS A 18 2.619 7.608 3.381 1.00 2.00 H new ATOM 0 HE2 LYS A 18 3.783 9.364 5.567 1.00 2.00 H new ATOM 0 HE3 LYS A 18 2.617 8.097 5.891 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 4.367 6.774 6.031 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 4.466 6.858 4.338 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 5.407 7.897 5.295 1.00 2.00 H new ATOM 277 N ASN A 19 4.946 9.062 -1.758 1.00 2.00 N ATOM 278 CA ASN A 19 4.247 8.953 -3.066 1.00 2.00 C ATOM 279 C ASN A 19 3.407 7.702 -3.475 1.00 2.00 C ATOM 280 O ASN A 19 2.388 7.850 -4.155 1.00 2.00 O ATOM 281 CB ASN A 19 5.260 9.394 -4.164 1.00 2.00 C ATOM 282 CG ASN A 19 6.362 8.401 -4.551 1.00 2.00 C ATOM 283 OD1 ASN A 19 6.197 7.578 -5.441 1.00 2.00 O ATOM 284 ND2 ASN A 19 7.507 8.435 -3.919 1.00 2.00 N ATOM 0 H ASN A 19 5.949 9.224 -1.854 1.00 2.00 H new ATOM 0 HA ASN A 19 3.387 9.610 -2.937 1.00 2.00 H new ATOM 0 HB2 ASN A 19 4.695 9.637 -5.064 1.00 2.00 H new ATOM 0 HB3 ASN A 19 5.739 10.314 -3.830 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.248 7.781 -4.171 1.00 2.00 H new ATOM 0 HD22 ASN A 19 7.659 9.116 -3.175 1.00 2.00 H new ATOM 291 N LEU A 20 3.829 6.498 -3.101 1.00 2.00 N ATOM 292 CA LEU A 20 3.113 5.250 -3.438 1.00 2.00 C ATOM 293 C LEU A 20 1.750 4.997 -2.728 1.00 2.00 C ATOM 294 O LEU A 20 1.645 4.966 -1.497 1.00 2.00 O ATOM 295 CB LEU A 20 4.066 4.056 -3.152 1.00 2.00 C ATOM 296 CG LEU A 20 5.435 3.950 -3.880 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.191 2.711 -3.397 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.342 3.868 -5.404 1.00 2.00 C ATOM 0 H LEU A 20 4.677 6.349 -2.555 1.00 2.00 H new ATOM 0 HA LEU A 20 2.843 5.354 -4.489 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.270 4.056 -2.081 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.513 3.143 -3.371 1.00 2.00 H new ATOM 0 HG LEU A 20 5.956 4.875 -3.633 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.149 2.645 -3.913 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.361 2.785 -2.323 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.602 1.819 -3.611 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.344 3.797 -5.826 1.00 2.00 H new ATOM 0 HD22 LEU A 20 4.766 2.987 -5.686 1.00 2.00 H new ATOM 0 HD23 LEU A 20 4.850 4.762 -5.787 1.00 2.00 H new ATOM 310 N CYS A 21 0.685 4.810 -3.525 1.00 2.00 N ATOM 311 CA CYS A 21 -0.680 4.543 -3.005 1.00 2.00 C ATOM 312 C CYS A 21 -0.645 3.001 -2.736 1.00 2.00 C ATOM 313 O CYS A 21 -0.825 2.193 -3.658 1.00 2.00 O ATOM 314 CB CYS A 21 -1.678 4.925 -4.106 1.00 2.00 C ATOM 315 SG CYS A 21 -1.911 6.691 -4.164 1.00 2.00 S ATOM 0 H CYS A 21 0.738 4.838 -4.543 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.970 5.097 -2.112 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -1.316 4.570 -5.071 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.634 4.433 -3.923 1.00 2.00 H new ATOM 320 N TYR A 22 -0.355 2.583 -1.490 1.00 2.00 N ATOM 321 CA TYR A 22 -0.289 1.145 -1.149 1.00 2.00 C ATOM 322 C TYR A 22 -1.578 0.294 -1.321 1.00 2.00 C ATOM 323 O TYR A 22 -2.715 0.758 -1.228 1.00 2.00 O ATOM 324 CB TYR A 22 0.567 0.858 0.136 1.00 2.00 C ATOM 325 CG TYR A 22 0.053 0.726 1.598 1.00 2.00 C ATOM 326 CD1 TYR A 22 -1.271 0.462 1.964 1.00 2.00 C ATOM 327 CD2 TYR A 22 1.018 0.780 2.613 1.00 2.00 C ATOM 328 CE1 TYR A 22 -1.640 0.368 3.305 1.00 2.00 C ATOM 329 CE2 TYR A 22 0.657 0.675 3.954 1.00 2.00 C ATOM 330 CZ TYR A 22 -0.675 0.478 4.296 1.00 2.00 C ATOM 331 OH TYR A 22 -1.040 0.365 5.609 1.00 2.00 O ATOM 0 H TYR A 22 -0.164 3.210 -0.709 1.00 2.00 H new ATOM 0 HA TYR A 22 0.282 0.725 -1.977 1.00 2.00 H new ATOM 0 HB2 TYR A 22 1.093 -0.074 -0.070 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.318 1.648 0.165 1.00 2.00 H new ATOM 0 HD1 TYR A 22 -2.019 0.329 1.196 1.00 2.00 H new ATOM 0 HD2 TYR A 22 2.058 0.905 2.351 1.00 2.00 H new ATOM 0 HE1 TYR A 22 -2.674 0.210 3.572 1.00 2.00 H new ATOM 0 HE2 TYR A 22 1.410 0.746 4.725 1.00 2.00 H new ATOM 0 HH TYR A 22 -1.188 -0.579 5.827 1.00 2.00 H new ATOM 341 N LYS A 23 -1.334 -0.986 -1.548 1.00 2.00 N ATOM 342 CA LYS A 23 -2.352 -2.030 -1.742 1.00 2.00 C ATOM 343 C LYS A 23 -1.848 -3.199 -0.836 1.00 2.00 C ATOM 344 O LYS A 23 -1.223 -4.158 -1.289 1.00 2.00 O ATOM 345 CB LYS A 23 -2.495 -2.276 -3.265 1.00 2.00 C ATOM 346 CG LYS A 23 -3.593 -3.289 -3.651 1.00 2.00 C ATOM 347 CD LYS A 23 -3.872 -3.388 -5.164 1.00 2.00 C ATOM 348 CE LYS A 23 -4.537 -2.137 -5.768 1.00 2.00 C ATOM 349 NZ LYS A 23 -4.842 -2.371 -7.191 1.00 2.00 N ATOM 0 H LYS A 23 -0.384 -1.351 -1.606 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.376 -1.811 -1.441 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -2.707 -1.326 -3.755 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -1.540 -2.629 -3.654 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -3.306 -4.274 -3.283 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -4.517 -3.015 -3.142 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -2.932 -3.572 -5.684 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -4.513 -4.251 -5.348 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -5.452 -1.902 -5.224 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -3.875 -1.277 -5.665 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -5.291 -1.524 -7.594 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -3.962 -2.574 -7.706 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -5.489 -3.180 -7.279 1.00 2.00 H new ATOM 362 N MET A 24 -2.061 -3.040 0.481 1.00 2.00 N ATOM 363 CA MET A 24 -1.677 -3.998 1.551 1.00 2.00 C ATOM 364 C MET A 24 -2.397 -5.386 1.451 1.00 2.00 C ATOM 365 O MET A 24 -3.345 -5.664 2.181 1.00 2.00 O ATOM 366 CB MET A 24 -1.871 -3.142 2.854 1.00 2.00 C ATOM 367 CG MET A 24 -2.051 -3.838 4.213 1.00 2.00 C ATOM 368 SD MET A 24 -1.382 -2.835 5.551 1.00 2.00 S ATOM 369 CE MET A 24 -1.889 -3.858 6.940 1.00 2.00 C ATOM 0 H MET A 24 -2.523 -2.210 0.852 1.00 2.00 H new ATOM 0 HA MET A 24 -0.653 -4.367 1.495 1.00 2.00 H new ATOM 0 HB2 MET A 24 -1.007 -2.482 2.940 1.00 2.00 H new ATOM 0 HB3 MET A 24 -2.743 -2.507 2.697 1.00 2.00 H new ATOM 0 HG2 MET A 24 -3.110 -4.027 4.391 1.00 2.00 H new ATOM 0 HG3 MET A 24 -1.553 -4.807 4.197 1.00 2.00 H new ATOM 0 HE1 MET A 24 -1.561 -3.396 7.871 1.00 2.00 H new ATOM 0 HE2 MET A 24 -2.975 -3.953 6.945 1.00 2.00 H new ATOM 0 HE3 MET A 24 -1.439 -4.846 6.847 1.00 2.00 H new ATOM 379 N PHE A 25 -1.932 -6.269 0.550 1.00 2.00 N ATOM 380 CA PHE A 25 -2.522 -7.618 0.354 1.00 2.00 C ATOM 381 C PHE A 25 -2.215 -8.613 1.514 1.00 2.00 C ATOM 382 O PHE A 25 -1.150 -8.529 2.125 1.00 2.00 O ATOM 383 CB PHE A 25 -1.963 -8.254 -0.953 1.00 2.00 C ATOM 384 CG PHE A 25 -2.362 -7.787 -2.361 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.680 -7.447 -2.671 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.452 -7.989 -3.405 1.00 2.00 C ATOM 387 CE1 PHE A 25 -4.080 -7.292 -3.997 1.00 2.00 C ATOM 388 CE2 PHE A 25 -1.861 -7.864 -4.731 1.00 2.00 C ATOM 389 CZ PHE A 25 -3.170 -7.502 -5.025 1.00 2.00 C ATOM 0 H PHE A 25 -1.140 -6.075 -0.063 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.600 -7.461 0.312 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.878 -8.167 -0.897 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -2.201 -9.317 -0.903 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -4.396 -7.303 -1.876 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -0.426 -8.243 -3.181 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -5.097 -7.009 -4.225 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -1.160 -8.049 -5.531 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.480 -7.384 -6.053 1.00 2.00 H new ATOM 399 N MET A 26 -3.130 -9.546 1.830 1.00 2.00 N ATOM 400 CA MET A 26 -2.897 -10.537 2.922 1.00 2.00 C ATOM 401 C MET A 26 -1.825 -11.574 2.444 1.00 2.00 C ATOM 402 O MET A 26 -2.008 -12.151 1.366 1.00 2.00 O ATOM 403 CB MET A 26 -4.177 -11.394 3.194 1.00 2.00 C ATOM 404 CG MET A 26 -5.348 -10.808 3.986 1.00 2.00 C ATOM 405 SD MET A 26 -6.700 -12.004 4.071 1.00 2.00 S ATOM 406 CE MET A 26 -6.211 -12.968 5.515 1.00 2.00 C ATOM 0 H MET A 26 -4.029 -9.643 1.358 1.00 2.00 H new ATOM 0 HA MET A 26 -2.599 -9.976 3.808 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.567 -11.706 2.225 1.00 2.00 H new ATOM 0 HB3 MET A 26 -3.856 -12.296 3.714 1.00 2.00 H new ATOM 0 HG2 MET A 26 -5.021 -10.545 4.992 1.00 2.00 H new ATOM 0 HG3 MET A 26 -5.694 -9.889 3.512 1.00 2.00 H new ATOM 0 HE1 MET A 26 -6.949 -13.749 5.698 1.00 2.00 H new ATOM 0 HE2 MET A 26 -5.237 -13.423 5.336 1.00 2.00 H new ATOM 0 HE3 MET A 26 -6.152 -12.315 6.386 1.00 2.00 H new ATOM 416 N MET A 27 -0.723 -11.842 3.177 1.00 2.00 N ATOM 417 CA MET A 27 0.297 -12.857 2.709 1.00 2.00 C ATOM 418 C MET A 27 -0.368 -14.277 2.435 1.00 2.00 C ATOM 419 O MET A 27 0.008 -14.987 1.501 1.00 2.00 O ATOM 420 CB MET A 27 1.467 -12.897 3.727 1.00 2.00 C ATOM 421 CG MET A 27 2.621 -13.872 3.399 1.00 2.00 C ATOM 422 SD MET A 27 3.875 -13.777 4.691 1.00 2.00 S ATOM 423 CE MET A 27 4.903 -15.180 4.219 1.00 2.00 C ATOM 0 H MET A 27 -0.504 -11.397 4.068 1.00 2.00 H new ATOM 0 HA MET A 27 0.707 -12.557 1.745 1.00 2.00 H new ATOM 0 HB2 MET A 27 1.881 -11.892 3.814 1.00 2.00 H new ATOM 0 HB3 MET A 27 1.063 -13.160 4.704 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.240 -14.890 3.322 1.00 2.00 H new ATOM 0 HG3 MET A 27 3.059 -13.621 2.433 1.00 2.00 H new ATOM 0 HE1 MET A 27 5.736 -15.272 4.916 1.00 2.00 H new ATOM 0 HE2 MET A 27 4.307 -16.092 4.243 1.00 2.00 H new ATOM 0 HE3 MET A 27 5.289 -15.025 3.211 1.00 2.00 H new ATOM 433 N SER A 28 -1.365 -14.663 3.261 1.00 2.00 N ATOM 434 CA SER A 28 -2.104 -15.946 3.142 1.00 2.00 C ATOM 435 C SER A 28 -3.185 -15.967 1.983 1.00 2.00 C ATOM 436 O SER A 28 -3.515 -17.043 1.478 1.00 2.00 O ATOM 437 CB SER A 28 -2.714 -16.268 4.524 1.00 2.00 C ATOM 438 OG SER A 28 -1.698 -16.499 5.503 1.00 2.00 O ATOM 0 H SER A 28 -1.686 -14.088 4.040 1.00 2.00 H new ATOM 0 HA SER A 28 -1.401 -16.725 2.846 1.00 2.00 H new ATOM 0 HB2 SER A 28 -3.349 -15.442 4.844 1.00 2.00 H new ATOM 0 HB3 SER A 28 -3.352 -17.148 4.445 1.00 2.00 H new ATOM 0 HG SER A 28 -2.115 -16.698 6.367 1.00 2.00 H new ATOM 444 N ASP A 29 -3.804 -14.823 1.611 1.00 2.00 N ATOM 445 CA ASP A 29 -4.830 -14.729 0.530 1.00 2.00 C ATOM 446 C ASP A 29 -4.756 -13.295 -0.106 1.00 2.00 C ATOM 447 O ASP A 29 -5.590 -12.426 0.152 1.00 2.00 O ATOM 448 CB ASP A 29 -6.222 -15.135 1.087 1.00 2.00 C ATOM 449 CG ASP A 29 -7.210 -15.494 -0.017 1.00 2.00 C ATOM 450 OD1 ASP A 29 -7.921 -14.673 -0.587 1.00 2.00 O ATOM 451 OD2 ASP A 29 -7.174 -16.823 -0.318 1.00 2.00 O ATOM 0 H ASP A 29 -3.608 -13.925 2.054 1.00 2.00 H new ATOM 0 HA ASP A 29 -4.636 -15.433 -0.280 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.107 -15.986 1.758 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -6.626 -14.314 1.679 1.00 2.00 H new ATOM 457 N LEU A 30 -3.795 -13.100 -1.019 1.00 2.00 N ATOM 458 CA LEU A 30 -3.538 -11.823 -1.737 1.00 2.00 C ATOM 459 C LEU A 30 -4.726 -10.999 -2.362 1.00 2.00 C ATOM 460 O LEU A 30 -5.096 -9.965 -1.808 1.00 2.00 O ATOM 461 CB LEU A 30 -2.416 -12.120 -2.802 1.00 2.00 C ATOM 462 CG LEU A 30 -0.971 -12.550 -2.431 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.223 -11.474 -1.644 1.00 2.00 C ATOM 464 CD2 LEU A 30 -0.843 -13.905 -1.715 1.00 2.00 C ATOM 0 H LEU A 30 -3.151 -13.842 -1.294 1.00 2.00 H new ATOM 0 HA LEU A 30 -3.252 -11.125 -0.950 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -2.810 -12.900 -3.453 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -2.321 -11.218 -3.407 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.500 -12.681 -3.405 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.782 -11.826 -1.410 1.00 2.00 H new ATOM 0 HD12 LEU A 30 -0.159 -10.565 -2.242 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.758 -11.263 -0.718 1.00 2.00 H new ATOM 0 HD21 LEU A 30 0.207 -14.107 -1.503 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.403 -13.877 -0.780 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.242 -14.693 -2.354 1.00 2.00 H new ATOM 476 N THR A 31 -5.267 -11.453 -3.510 1.00 2.00 N ATOM 477 CA THR A 31 -6.397 -10.845 -4.298 1.00 2.00 C ATOM 478 C THR A 31 -7.228 -9.617 -3.774 1.00 2.00 C ATOM 479 O THR A 31 -7.207 -8.555 -4.404 1.00 2.00 O ATOM 480 CB THR A 31 -7.327 -11.986 -4.840 1.00 2.00 C ATOM 481 OG1 THR A 31 -8.009 -12.648 -3.778 1.00 2.00 O ATOM 482 CG2 THR A 31 -6.662 -13.085 -5.689 1.00 2.00 C ATOM 0 H THR A 31 -4.918 -12.303 -3.952 1.00 2.00 H new ATOM 0 HA THR A 31 -5.837 -10.316 -5.069 1.00 2.00 H new ATOM 0 HB THR A 31 -7.996 -11.434 -5.500 1.00 2.00 H new ATOM 0 HG1 THR A 31 -8.582 -13.353 -4.146 1.00 2.00 H new ATOM 0 HG21 THR A 31 -7.414 -13.810 -6.000 1.00 2.00 H new ATOM 0 HG22 THR A 31 -6.204 -12.637 -6.571 1.00 2.00 H new ATOM 0 HG23 THR A 31 -5.896 -13.587 -5.098 1.00 2.00 H new ATOM 490 N ILE A 32 -8.010 -9.781 -2.696 1.00 2.00 N ATOM 491 CA ILE A 32 -8.846 -8.701 -2.090 1.00 2.00 C ATOM 492 C ILE A 32 -7.945 -8.221 -0.879 1.00 2.00 C ATOM 493 O ILE A 32 -7.876 -8.940 0.127 1.00 2.00 O ATOM 494 CB ILE A 32 -10.276 -9.219 -1.676 1.00 2.00 C ATOM 495 CG1 ILE A 32 -11.268 -9.492 -2.849 1.00 2.00 C ATOM 496 CG2 ILE A 32 -11.016 -8.234 -0.728 1.00 2.00 C ATOM 497 CD1 ILE A 32 -10.920 -10.652 -3.795 1.00 2.00 C ATOM 0 H ILE A 32 -8.089 -10.672 -2.206 1.00 2.00 H new ATOM 0 HA ILE A 32 -9.088 -7.883 -2.769 1.00 2.00 H new ATOM 0 HB ILE A 32 -10.031 -10.164 -1.191 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -12.253 -9.685 -2.423 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -11.350 -8.582 -3.443 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -11.995 -8.640 -0.474 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.433 -8.098 0.183 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -11.140 -7.273 -1.227 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -11.687 -10.736 -4.565 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -9.955 -10.462 -4.264 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -10.871 -11.582 -3.228 1.00 2.00 H new ATOM 509 N PRO A 33 -7.279 -7.031 -0.895 1.00 2.00 N ATOM 510 CA PRO A 33 -6.429 -6.589 0.241 1.00 2.00 C ATOM 511 C PRO A 33 -6.960 -6.388 1.693 1.00 2.00 C ATOM 512 O PRO A 33 -8.158 -6.358 1.974 1.00 2.00 O ATOM 513 CB PRO A 33 -5.937 -5.202 -0.267 1.00 2.00 C ATOM 514 CG PRO A 33 -6.195 -5.111 -1.762 1.00 2.00 C ATOM 515 CD PRO A 33 -7.304 -6.111 -2.046 1.00 2.00 C ATOM 0 HA PRO A 33 -5.745 -7.418 0.424 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -6.459 -4.401 0.256 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -4.874 -5.079 -0.059 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -6.494 -4.102 -2.048 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -5.296 -5.350 -2.330 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -8.271 -5.616 -2.137 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -7.129 -6.642 -2.982 1.00 2.00 H new ATOM 523 N VAL A 34 -6.002 -6.275 2.632 1.00 2.00 N ATOM 524 CA VAL A 34 -6.280 -6.046 4.094 1.00 2.00 C ATOM 525 C VAL A 34 -6.667 -4.503 4.151 1.00 2.00 C ATOM 526 O VAL A 34 -7.691 -4.104 4.710 1.00 2.00 O ATOM 527 CB VAL A 34 -5.078 -6.350 5.061 1.00 2.00 C ATOM 528 CG1 VAL A 34 -5.347 -5.976 6.541 1.00 2.00 C ATOM 529 CG2 VAL A 34 -4.636 -7.812 5.067 1.00 2.00 C ATOM 0 H VAL A 34 -5.007 -6.338 2.415 1.00 2.00 H new ATOM 0 HA VAL A 34 -7.053 -6.729 4.445 1.00 2.00 H new ATOM 0 HB VAL A 34 -4.293 -5.718 4.645 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -4.470 -6.217 7.142 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -5.556 -4.909 6.614 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -6.205 -6.539 6.909 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -3.803 -7.937 5.759 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -5.468 -8.442 5.382 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -4.321 -8.101 4.064 1.00 2.00 H new ATOM 539 N LYS A 35 -5.797 -3.649 3.567 1.00 2.00 N ATOM 540 CA LYS A 35 -5.939 -2.193 3.481 1.00 2.00 C ATOM 541 C LYS A 35 -5.383 -1.717 2.099 1.00 2.00 C ATOM 542 O LYS A 35 -4.766 -2.419 1.293 1.00 2.00 O ATOM 543 CB LYS A 35 -5.231 -1.511 4.697 1.00 2.00 C ATOM 544 CG LYS A 35 -6.034 -1.538 6.017 1.00 2.00 C ATOM 545 CD LYS A 35 -5.337 -0.744 7.141 1.00 2.00 C ATOM 546 CE LYS A 35 -6.133 -0.679 8.456 1.00 2.00 C ATOM 547 NZ LYS A 35 -7.282 0.245 8.347 1.00 2.00 N ATOM 0 H LYS A 35 -4.939 -3.980 3.125 1.00 2.00 H new ATOM 0 HA LYS A 35 -6.987 -1.900 3.536 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -4.272 -2.002 4.862 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -5.018 -0.473 4.440 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -7.027 -1.124 5.844 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -6.171 -2.571 6.336 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -4.365 -1.195 7.340 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -5.151 0.272 6.791 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -6.489 -1.676 8.717 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -5.478 -0.353 9.264 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -7.798 0.266 9.250 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -6.939 1.201 8.122 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -7.919 -0.081 7.592 1.00 2.00 H new ATOM 560 N ARG A 36 -5.694 -0.470 1.805 1.00 2.00 N ATOM 561 CA ARG A 36 -5.295 0.241 0.567 1.00 2.00 C ATOM 562 C ARG A 36 -5.042 1.669 1.199 1.00 2.00 C ATOM 563 O ARG A 36 -5.917 2.262 1.841 1.00 2.00 O ATOM 564 CB ARG A 36 -6.361 0.011 -0.544 1.00 2.00 C ATOM 565 CG ARG A 36 -6.012 -1.015 -1.652 1.00 2.00 C ATOM 566 CD ARG A 36 -7.183 -1.530 -2.521 1.00 2.00 C ATOM 567 NE ARG A 36 -8.034 -0.438 -3.067 1.00 2.00 N ATOM 568 CZ ARG A 36 -8.912 -0.552 -4.050 1.00 2.00 C ATOM 569 NH1 ARG A 36 -8.874 -1.494 -4.947 1.00 2.00 N ATOM 570 NH2 ARG A 36 -9.855 0.330 -4.124 1.00 2.00 N ATOM 0 H ARG A 36 -6.250 0.112 2.431 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.420 -0.062 -0.007 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -7.286 -0.309 -0.065 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -6.565 0.969 -1.022 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -5.272 -0.563 -2.313 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -5.535 -1.875 -1.181 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -6.782 -2.117 -3.347 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.802 -2.200 -1.924 1.00 2.00 H new ATOM 0 HE ARG A 36 -7.931 0.484 -2.644 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -8.137 -2.198 -4.916 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -9.581 -1.528 -5.681 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -9.904 1.083 -3.437 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -10.549 0.273 -4.869 1.00 2.00 H new ATOM 584 N GLY A 37 -3.822 2.214 1.110 1.00 2.00 N ATOM 585 CA GLY A 37 -3.522 3.548 1.696 1.00 2.00 C ATOM 586 C GLY A 37 -2.323 4.348 1.151 1.00 2.00 C ATOM 587 O GLY A 37 -2.171 4.477 -0.063 1.00 2.00 O ATOM 0 H GLY A 37 -3.030 1.768 0.647 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -4.412 4.167 1.579 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -3.368 3.411 2.766 1.00 2.00 H new ATOM 591 N CYS A 38 -1.503 4.926 2.048 1.00 2.00 N ATOM 592 CA CYS A 38 -0.312 5.729 1.655 1.00 2.00 C ATOM 593 C CYS A 38 1.066 5.285 2.215 1.00 2.00 C ATOM 594 O CYS A 38 1.188 4.958 3.400 1.00 2.00 O ATOM 595 CB CYS A 38 -0.581 7.190 2.073 1.00 2.00 C ATOM 596 SG CYS A 38 -0.878 7.505 3.846 1.00 2.00 S ATOM 0 H CYS A 38 -1.638 4.856 3.057 1.00 2.00 H new ATOM 0 HA CYS A 38 -0.208 5.583 0.580 1.00 2.00 H new ATOM 0 HB2 CYS A 38 0.271 7.794 1.760 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.447 7.547 1.516 1.00 2.00 H new ATOM 601 N ILE A 39 2.121 5.328 1.368 1.00 2.00 N ATOM 602 CA ILE A 39 3.503 4.927 1.775 1.00 2.00 C ATOM 603 C ILE A 39 4.653 5.390 0.802 1.00 2.00 C ATOM 604 O ILE A 39 4.415 5.734 -0.353 1.00 2.00 O ATOM 605 CB ILE A 39 3.533 3.377 2.016 1.00 2.00 C ATOM 606 CG1 ILE A 39 4.469 2.931 3.155 1.00 2.00 C ATOM 607 CG2 ILE A 39 3.784 2.541 0.728 1.00 2.00 C ATOM 608 CD1 ILE A 39 4.318 3.620 4.523 1.00 2.00 C ATOM 0 H ILE A 39 2.049 5.635 0.398 1.00 2.00 H new ATOM 0 HA ILE A 39 3.723 5.462 2.699 1.00 2.00 H new ATOM 0 HB ILE A 39 2.517 3.159 2.344 1.00 2.00 H new ATOM 0 HG12 ILE A 39 4.329 1.860 3.303 1.00 2.00 H new ATOM 0 HG13 ILE A 39 5.496 3.075 2.820 1.00 2.00 H new ATOM 0 HG21 ILE A 39 3.790 1.480 0.978 1.00 2.00 H new ATOM 0 HG22 ILE A 39 2.992 2.739 0.006 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.746 2.818 0.296 1.00 2.00 H new ATOM 0 HD11 ILE A 39 5.042 3.203 5.223 1.00 2.00 H new ATOM 0 HD12 ILE A 39 4.495 4.690 4.413 1.00 2.00 H new ATOM 0 HD13 ILE A 39 3.310 3.456 4.904 1.00 2.00 H new ATOM 620 N ASP A 40 5.912 5.460 1.274 1.00 2.00 N ATOM 621 CA ASP A 40 7.081 5.882 0.423 1.00 2.00 C ATOM 622 C ASP A 40 7.623 4.762 -0.530 1.00 2.00 C ATOM 623 O ASP A 40 7.895 4.980 -1.711 1.00 2.00 O ATOM 624 CB ASP A 40 8.169 6.595 1.280 1.00 2.00 C ATOM 625 CG ASP A 40 8.817 5.792 2.409 1.00 2.00 C ATOM 626 OD1 ASP A 40 8.232 5.484 3.441 1.00 2.00 O ATOM 627 OD2 ASP A 40 10.107 5.459 2.139 1.00 2.00 O ATOM 0 H ASP A 40 6.163 5.234 2.236 1.00 2.00 H new ATOM 0 HA ASP A 40 6.709 6.627 -0.280 1.00 2.00 H new ATOM 0 HB2 ASP A 40 8.960 6.930 0.609 1.00 2.00 H new ATOM 0 HB3 ASP A 40 7.722 7.488 1.716 1.00 2.00 H new ATOM 633 N VAL A 41 7.817 3.592 0.062 1.00 2.00 N ATOM 634 CA VAL A 41 8.313 2.338 -0.560 1.00 2.00 C ATOM 635 C VAL A 41 7.357 1.254 0.027 1.00 2.00 C ATOM 636 O VAL A 41 6.915 1.379 1.175 1.00 2.00 O ATOM 637 CB VAL A 41 9.821 2.078 -0.197 1.00 2.00 C ATOM 638 CG1 VAL A 41 10.363 0.726 -0.725 1.00 2.00 C ATOM 639 CG2 VAL A 41 10.787 3.167 -0.722 1.00 2.00 C ATOM 0 H VAL A 41 7.624 3.468 1.056 1.00 2.00 H new ATOM 0 HA VAL A 41 8.300 2.355 -1.650 1.00 2.00 H new ATOM 0 HB VAL A 41 9.803 2.082 0.893 1.00 2.00 H new ATOM 0 HG11 VAL A 41 11.408 0.616 -0.437 1.00 2.00 H new ATOM 0 HG12 VAL A 41 9.781 -0.091 -0.299 1.00 2.00 H new ATOM 0 HG13 VAL A 41 10.282 0.701 -1.812 1.00 2.00 H new ATOM 0 HG21 VAL A 41 11.808 2.918 -0.432 1.00 2.00 H new ATOM 0 HG22 VAL A 41 10.721 3.219 -1.809 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.514 4.132 -0.295 1.00 2.00 H new ATOM 649 N CYS A 42 6.976 0.210 -0.744 1.00 2.00 N ATOM 650 CA CYS A 42 6.065 -0.907 -0.294 1.00 2.00 C ATOM 651 C CYS A 42 6.873 -1.488 0.963 1.00 2.00 C ATOM 652 O CYS A 42 7.944 -2.069 0.753 1.00 2.00 O ATOM 653 CB CYS A 42 5.900 -1.804 -1.554 1.00 2.00 C ATOM 654 SG CYS A 42 6.108 -0.871 -3.115 1.00 2.00 S ATOM 0 H CYS A 42 7.287 0.103 -1.709 1.00 2.00 H new ATOM 0 HA CYS A 42 5.046 -0.704 0.036 1.00 2.00 H new ATOM 0 HB2 CYS A 42 6.630 -2.612 -1.518 1.00 2.00 H new ATOM 0 HB3 CYS A 42 4.913 -2.266 -1.540 1.00 2.00 H new ATOM 659 N PRO A 43 6.476 -1.250 2.255 1.00 2.00 N ATOM 660 CA PRO A 43 7.212 -1.743 3.439 1.00 2.00 C ATOM 661 C PRO A 43 7.673 -3.196 3.653 1.00 2.00 C ATOM 662 O PRO A 43 7.425 -4.102 2.856 1.00 2.00 O ATOM 663 CB PRO A 43 6.367 -1.217 4.630 1.00 2.00 C ATOM 664 CG PRO A 43 5.493 -0.126 4.067 1.00 2.00 C ATOM 665 CD PRO A 43 5.225 -0.572 2.636 1.00 2.00 C ATOM 0 HA PRO A 43 8.227 -1.372 3.295 1.00 2.00 H new ATOM 0 HB2 PRO A 43 5.765 -2.015 5.064 1.00 2.00 H new ATOM 0 HB3 PRO A 43 7.008 -0.833 5.424 1.00 2.00 H new ATOM 0 HG2 PRO A 43 4.567 -0.024 4.633 1.00 2.00 H new ATOM 0 HG3 PRO A 43 5.993 0.842 4.097 1.00 2.00 H new ATOM 0 HD2 PRO A 43 4.369 -1.244 2.577 1.00 2.00 H new ATOM 0 HD3 PRO A 43 5.011 0.275 1.984 1.00 2.00 H new ATOM 673 N LYS A 44 8.365 -3.370 4.800 1.00 2.00 N ATOM 674 CA LYS A 44 8.912 -4.670 5.249 1.00 2.00 C ATOM 675 C LYS A 44 7.667 -5.534 5.645 1.00 2.00 C ATOM 676 O LYS A 44 7.116 -5.468 6.750 1.00 2.00 O ATOM 677 CB LYS A 44 9.899 -4.449 6.426 1.00 2.00 C ATOM 678 CG LYS A 44 11.257 -3.816 6.039 1.00 2.00 C ATOM 679 CD LYS A 44 12.263 -3.681 7.205 1.00 2.00 C ATOM 680 CE LYS A 44 11.987 -2.558 8.224 1.00 2.00 C ATOM 681 NZ LYS A 44 10.996 -2.964 9.243 1.00 2.00 N ATOM 0 H LYS A 44 8.562 -2.606 5.446 1.00 2.00 H new ATOM 0 HA LYS A 44 9.488 -5.181 4.478 1.00 2.00 H new ATOM 0 HB2 LYS A 44 9.418 -3.811 7.168 1.00 2.00 H new ATOM 0 HB3 LYS A 44 10.088 -5.409 6.906 1.00 2.00 H new ATOM 0 HG2 LYS A 44 11.712 -4.418 5.253 1.00 2.00 H new ATOM 0 HG3 LYS A 44 11.075 -2.827 5.618 1.00 2.00 H new ATOM 0 HD2 LYS A 44 12.293 -4.629 7.742 1.00 2.00 H new ATOM 0 HD3 LYS A 44 13.255 -3.523 6.783 1.00 2.00 H new ATOM 0 HE2 LYS A 44 12.919 -2.278 8.716 1.00 2.00 H new ATOM 0 HE3 LYS A 44 11.626 -1.674 7.699 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 10.232 -2.260 9.284 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 10.599 -3.892 8.991 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 11.459 -3.027 10.172 1.00 2.00 H new ATOM 694 N ASN A 45 7.197 -6.291 4.652 1.00 2.00 N ATOM 695 CA ASN A 45 6.034 -7.178 4.765 1.00 2.00 C ATOM 696 C ASN A 45 6.120 -8.320 5.834 1.00 2.00 C ATOM 697 O ASN A 45 6.936 -9.241 5.746 1.00 2.00 O ATOM 698 CB ASN A 45 5.685 -7.593 3.309 1.00 2.00 C ATOM 699 CG ASN A 45 6.521 -8.687 2.639 1.00 2.00 C ATOM 700 OD1 ASN A 45 7.606 -8.447 2.128 1.00 2.00 O ATOM 701 ND2 ASN A 45 6.038 -9.899 2.585 1.00 2.00 N ATOM 0 H ASN A 45 7.623 -6.306 3.725 1.00 2.00 H new ATOM 0 HA ASN A 45 5.193 -6.649 5.213 1.00 2.00 H new ATOM 0 HB2 ASN A 45 4.645 -7.918 3.298 1.00 2.00 H new ATOM 0 HB3 ASN A 45 5.747 -6.701 2.686 1.00 2.00 H new ATOM 0 HD21 ASN A 45 6.565 -10.638 2.119 1.00 2.00 H new ATOM 0 HD22 ASN A 45 5.134 -10.107 3.009 1.00 2.00 H new ATOM 708 N SER A 46 5.260 -8.222 6.859 1.00 2.00 N ATOM 709 CA SER A 46 5.202 -9.213 7.959 1.00 2.00 C ATOM 710 C SER A 46 4.413 -10.523 7.618 1.00 2.00 C ATOM 711 O SER A 46 3.931 -10.704 6.495 1.00 2.00 O ATOM 712 CB SER A 46 4.674 -8.430 9.192 1.00 2.00 C ATOM 713 OG SER A 46 4.908 -9.156 10.401 1.00 2.00 O ATOM 0 H SER A 46 4.587 -7.461 6.954 1.00 2.00 H new ATOM 0 HA SER A 46 6.190 -9.627 8.163 1.00 2.00 H new ATOM 0 HB2 SER A 46 5.165 -7.458 9.247 1.00 2.00 H new ATOM 0 HB3 SER A 46 3.606 -8.242 9.078 1.00 2.00 H new ATOM 0 HG SER A 46 4.568 -8.641 11.163 1.00 2.00 H new ATOM 719 N LEU A 47 4.281 -11.457 8.582 1.00 2.00 N ATOM 720 CA LEU A 47 3.542 -12.752 8.376 1.00 2.00 C ATOM 721 C LEU A 47 2.079 -12.628 7.793 1.00 2.00 C ATOM 722 O LEU A 47 1.577 -13.546 7.143 1.00 2.00 O ATOM 723 CB LEU A 47 3.528 -13.551 9.713 1.00 2.00 C ATOM 724 CG LEU A 47 4.878 -14.077 10.273 1.00 2.00 C ATOM 725 CD1 LEU A 47 4.668 -14.678 11.675 1.00 2.00 C ATOM 726 CD2 LEU A 47 5.516 -15.145 9.367 1.00 2.00 C ATOM 0 H LEU A 47 4.672 -11.352 9.518 1.00 2.00 H new ATOM 0 HA LEU A 47 4.093 -13.281 7.599 1.00 2.00 H new ATOM 0 HB2 LEU A 47 3.078 -12.915 10.475 1.00 2.00 H new ATOM 0 HB3 LEU A 47 2.867 -14.408 9.581 1.00 2.00 H new ATOM 0 HG LEU A 47 5.554 -13.223 10.317 1.00 2.00 H new ATOM 0 HD11 LEU A 47 5.620 -15.044 12.060 1.00 2.00 H new ATOM 0 HD12 LEU A 47 4.276 -13.912 12.344 1.00 2.00 H new ATOM 0 HD13 LEU A 47 3.959 -15.504 11.614 1.00 2.00 H new ATOM 0 HD21 LEU A 47 6.457 -15.478 9.805 1.00 2.00 H new ATOM 0 HD22 LEU A 47 4.839 -15.994 9.273 1.00 2.00 H new ATOM 0 HD23 LEU A 47 5.705 -14.720 8.381 1.00 2.00 H new ATOM 738 N LEU A 48 1.406 -11.500 8.065 1.00 2.00 N ATOM 739 CA LEU A 48 0.028 -11.199 7.602 1.00 2.00 C ATOM 740 C LEU A 48 -0.049 -10.213 6.369 1.00 2.00 C ATOM 741 O LEU A 48 -1.163 -9.837 5.994 1.00 2.00 O ATOM 742 CB LEU A 48 -0.726 -10.590 8.828 1.00 2.00 C ATOM 743 CG LEU A 48 -0.928 -11.470 10.094 1.00 2.00 C ATOM 744 CD1 LEU A 48 -1.444 -10.607 11.256 1.00 2.00 C ATOM 745 CD2 LEU A 48 -1.907 -12.629 9.848 1.00 2.00 C ATOM 0 H LEU A 48 1.808 -10.749 8.626 1.00 2.00 H new ATOM 0 HA LEU A 48 -0.424 -12.123 7.242 1.00 2.00 H new ATOM 0 HB2 LEU A 48 -0.190 -9.691 9.133 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -1.711 -10.273 8.486 1.00 2.00 H new ATOM 0 HG LEU A 48 0.042 -11.900 10.345 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -1.583 -11.231 12.139 1.00 2.00 H new ATOM 0 HD12 LEU A 48 -0.720 -9.823 11.476 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -2.396 -10.154 10.978 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -2.015 -13.214 10.761 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -2.878 -12.229 9.556 1.00 2.00 H new ATOM 0 HD23 LEU A 48 -1.523 -13.267 9.052 1.00 2.00 H new ATOM 757 N VAL A 49 1.060 -9.807 5.696 1.00 2.00 N ATOM 758 CA VAL A 49 1.013 -8.864 4.530 1.00 2.00 C ATOM 759 C VAL A 49 2.106 -9.051 3.410 1.00 2.00 C ATOM 760 O VAL A 49 3.170 -9.638 3.603 1.00 2.00 O ATOM 761 CB VAL A 49 0.946 -7.396 5.128 1.00 2.00 C ATOM 762 CG1 VAL A 49 2.184 -6.934 5.928 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.641 -6.272 4.118 1.00 2.00 C ATOM 0 H VAL A 49 2.002 -10.115 5.936 1.00 2.00 H new ATOM 0 HA VAL A 49 0.120 -9.097 3.950 1.00 2.00 H new ATOM 0 HB VAL A 49 0.100 -7.531 5.802 1.00 2.00 H new ATOM 0 HG11 VAL A 49 2.026 -5.917 6.288 1.00 2.00 H new ATOM 0 HG12 VAL A 49 2.338 -7.600 6.777 1.00 2.00 H new ATOM 0 HG13 VAL A 49 3.063 -6.958 5.284 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.619 -5.313 4.636 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.415 -6.252 3.351 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.327 -6.455 3.652 1.00 2.00 H new ATOM 773 N LYS A 50 1.787 -8.506 2.226 1.00 2.00 N ATOM 774 CA LYS A 50 2.611 -8.506 0.980 1.00 2.00 C ATOM 775 C LYS A 50 2.056 -7.238 0.233 1.00 2.00 C ATOM 776 O LYS A 50 1.153 -7.295 -0.603 1.00 2.00 O ATOM 777 CB LYS A 50 2.479 -9.861 0.242 1.00 2.00 C ATOM 778 CG LYS A 50 3.472 -10.101 -0.921 1.00 2.00 C ATOM 779 CD LYS A 50 3.129 -9.362 -2.231 1.00 2.00 C ATOM 780 CE LYS A 50 4.115 -9.692 -3.359 1.00 2.00 C ATOM 781 NZ LYS A 50 3.706 -8.975 -4.580 1.00 2.00 N ATOM 0 H LYS A 50 0.899 -8.023 2.091 1.00 2.00 H new ATOM 0 HA LYS A 50 3.691 -8.431 1.108 1.00 2.00 H new ATOM 0 HB2 LYS A 50 2.603 -10.662 0.970 1.00 2.00 H new ATOM 0 HB3 LYS A 50 1.465 -9.941 -0.150 1.00 2.00 H new ATOM 0 HG2 LYS A 50 4.467 -9.795 -0.598 1.00 2.00 H new ATOM 0 HG3 LYS A 50 3.518 -11.171 -1.126 1.00 2.00 H new ATOM 0 HD2 LYS A 50 2.120 -9.630 -2.543 1.00 2.00 H new ATOM 0 HD3 LYS A 50 3.132 -8.287 -2.051 1.00 2.00 H new ATOM 0 HE2 LYS A 50 5.126 -9.401 -3.072 1.00 2.00 H new ATOM 0 HE3 LYS A 50 4.132 -10.766 -3.541 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 4.370 -9.194 -5.350 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 2.748 -9.274 -4.854 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 3.711 -7.951 -4.399 1.00 2.00 H new ATOM 794 N TYR A 51 2.610 -6.060 0.533 1.00 2.00 N ATOM 795 CA TYR A 51 2.186 -4.772 -0.075 1.00 2.00 C ATOM 796 C TYR A 51 2.468 -4.447 -1.585 1.00 2.00 C ATOM 797 O TYR A 51 3.600 -4.518 -2.069 1.00 2.00 O ATOM 798 CB TYR A 51 2.923 -3.634 0.718 1.00 2.00 C ATOM 799 CG TYR A 51 2.894 -3.578 2.259 1.00 2.00 C ATOM 800 CD1 TYR A 51 1.901 -2.864 2.933 1.00 2.00 C ATOM 801 CD2 TYR A 51 3.957 -4.126 2.989 1.00 2.00 C ATOM 802 CE1 TYR A 51 1.962 -2.711 4.319 1.00 2.00 C ATOM 803 CE2 TYR A 51 4.016 -3.969 4.371 1.00 2.00 C ATOM 804 CZ TYR A 51 3.022 -3.260 5.034 1.00 2.00 C ATOM 805 OH TYR A 51 3.121 -3.055 6.383 1.00 2.00 O ATOM 0 H TYR A 51 3.370 -5.960 1.206 1.00 2.00 H new ATOM 0 HA TYR A 51 1.100 -4.847 -0.020 1.00 2.00 H new ATOM 0 HB2 TYR A 51 3.971 -3.669 0.422 1.00 2.00 H new ATOM 0 HB3 TYR A 51 2.522 -2.686 0.359 1.00 2.00 H new ATOM 0 HD1 TYR A 51 1.082 -2.428 2.379 1.00 2.00 H new ATOM 0 HD2 TYR A 51 4.735 -4.673 2.477 1.00 2.00 H new ATOM 0 HE1 TYR A 51 1.186 -2.166 4.837 1.00 2.00 H new ATOM 0 HE2 TYR A 51 4.835 -4.399 4.928 1.00 2.00 H new ATOM 0 HH TYR A 51 3.919 -3.509 6.725 1.00 2.00 H new ATOM 815 N VAL A 52 1.410 -4.067 -2.311 1.00 2.00 N ATOM 816 CA VAL A 52 1.468 -3.690 -3.760 1.00 2.00 C ATOM 817 C VAL A 52 1.485 -2.105 -3.704 1.00 2.00 C ATOM 818 O VAL A 52 1.137 -1.474 -2.693 1.00 2.00 O ATOM 819 CB VAL A 52 0.445 -4.477 -4.647 1.00 2.00 C ATOM 820 CG1 VAL A 52 0.106 -3.826 -6.009 1.00 2.00 C ATOM 821 CG2 VAL A 52 1.008 -5.881 -4.966 1.00 2.00 C ATOM 0 H VAL A 52 0.470 -4.006 -1.920 1.00 2.00 H new ATOM 0 HA VAL A 52 2.347 -4.006 -4.322 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.468 -4.494 -4.052 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -0.610 -4.451 -6.543 1.00 2.00 H new ATOM 0 HG12 VAL A 52 -0.327 -2.839 -5.843 1.00 2.00 H new ATOM 0 HG13 VAL A 52 1.015 -3.728 -6.602 1.00 2.00 H new ATOM 0 HG21 VAL A 52 0.295 -6.427 -5.583 1.00 2.00 H new ATOM 0 HG22 VAL A 52 1.951 -5.781 -5.503 1.00 2.00 H new ATOM 0 HG23 VAL A 52 1.175 -6.426 -4.037 1.00 2.00 H new ATOM 831 N CYS A 53 1.881 -1.393 -4.770 1.00 2.00 N ATOM 832 CA CYS A 53 1.928 0.101 -4.741 1.00 2.00 C ATOM 833 C CYS A 53 2.079 0.858 -6.103 1.00 2.00 C ATOM 834 O CYS A 53 2.649 0.329 -7.062 1.00 2.00 O ATOM 835 CB CYS A 53 3.267 0.321 -3.951 1.00 2.00 C ATOM 836 SG CYS A 53 4.542 -0.933 -4.350 1.00 2.00 S ATOM 0 H CYS A 53 2.172 -1.807 -5.656 1.00 2.00 H new ATOM 0 HA CYS A 53 0.988 0.486 -4.345 1.00 2.00 H new ATOM 0 HB2 CYS A 53 3.657 1.314 -4.176 1.00 2.00 H new ATOM 0 HB3 CYS A 53 3.061 0.295 -2.881 1.00 2.00 H new ATOM 841 N CYS A 54 1.587 2.118 -6.171 1.00 2.00 N ATOM 842 CA CYS A 54 1.672 2.962 -7.400 1.00 2.00 C ATOM 843 C CYS A 54 1.724 4.505 -7.048 1.00 2.00 C ATOM 844 O CYS A 54 0.813 5.089 -6.458 1.00 2.00 O ATOM 845 CB CYS A 54 0.757 2.527 -8.562 1.00 2.00 C ATOM 846 SG CYS A 54 -1.002 2.730 -8.288 1.00 2.00 S ATOM 0 H CYS A 54 1.124 2.579 -5.388 1.00 2.00 H new ATOM 0 HA CYS A 54 2.641 2.763 -7.857 1.00 2.00 H new ATOM 0 HB2 CYS A 54 1.035 3.094 -9.450 1.00 2.00 H new ATOM 0 HB3 CYS A 54 0.953 1.477 -8.780 1.00 2.00 H new ATOM 851 N ASN A 55 2.847 5.123 -7.432 1.00 2.00 N ATOM 852 CA ASN A 55 3.265 6.556 -7.272 1.00 2.00 C ATOM 853 C ASN A 55 2.380 7.866 -7.215 1.00 2.00 C ATOM 854 O ASN A 55 2.993 8.929 -7.062 1.00 2.00 O ATOM 855 CB ASN A 55 4.336 6.756 -8.407 1.00 2.00 C ATOM 856 CG ASN A 55 5.548 5.811 -8.490 1.00 2.00 C ATOM 857 OD1 ASN A 55 5.457 4.708 -9.012 1.00 2.00 O ATOM 858 ND2 ASN A 55 6.692 6.176 -7.978 1.00 2.00 N ATOM 0 H ASN A 55 3.573 4.593 -7.914 1.00 2.00 H new ATOM 0 HA ASN A 55 3.477 6.555 -6.203 1.00 2.00 H new ATOM 0 HB2 ASN A 55 3.813 6.698 -9.362 1.00 2.00 H new ATOM 0 HB3 ASN A 55 4.721 7.772 -8.315 1.00 2.00 H new ATOM 0 HD21 ASN A 55 7.493 5.545 -8.017 1.00 2.00 H new ATOM 0 HD22 ASN A 55 6.785 7.092 -7.539 1.00 2.00 H new ATOM 865 N THR A 56 1.038 7.910 -7.321 1.00 2.00 N ATOM 866 CA THR A 56 0.275 9.217 -7.260 1.00 2.00 C ATOM 867 C THR A 56 -1.118 9.175 -6.532 1.00 2.00 C ATOM 868 O THR A 56 -1.720 8.115 -6.375 1.00 2.00 O ATOM 869 CB THR A 56 0.226 9.851 -8.693 1.00 2.00 C ATOM 870 OG1 THR A 56 -0.190 11.210 -8.619 1.00 2.00 O ATOM 871 CG2 THR A 56 -0.692 9.173 -9.724 1.00 2.00 C ATOM 0 H THR A 56 0.450 7.086 -7.447 1.00 2.00 H new ATOM 0 HA THR A 56 0.835 9.874 -6.595 1.00 2.00 H new ATOM 0 HB THR A 56 1.249 9.720 -9.046 1.00 2.00 H new ATOM 0 HG1 THR A 56 -0.215 11.594 -9.520 1.00 2.00 H new ATOM 0 HG21 THR A 56 -0.633 9.709 -10.671 1.00 2.00 H new ATOM 0 HG22 THR A 56 -0.374 8.141 -9.871 1.00 2.00 H new ATOM 0 HG23 THR A 56 -1.720 9.188 -9.362 1.00 2.00 H new ATOM 879 N ASP A 57 -1.651 10.342 -6.103 1.00 2.00 N ATOM 880 CA ASP A 57 -2.966 10.479 -5.388 1.00 2.00 C ATOM 881 C ASP A 57 -4.211 9.712 -5.960 1.00 2.00 C ATOM 882 O ASP A 57 -4.878 10.180 -6.891 1.00 2.00 O ATOM 883 CB ASP A 57 -3.280 11.995 -5.206 1.00 2.00 C ATOM 884 CG ASP A 57 -2.308 12.825 -4.365 1.00 2.00 C ATOM 885 OD1 ASP A 57 -2.151 12.687 -3.155 1.00 2.00 O ATOM 886 OD2 ASP A 57 -1.644 13.747 -5.112 1.00 2.00 O ATOM 0 H ASP A 57 -1.181 11.237 -6.240 1.00 2.00 H new ATOM 0 HA ASP A 57 -2.809 9.964 -4.440 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -3.338 12.447 -6.196 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -4.270 12.081 -4.758 1.00 2.00 H new ATOM 892 N ARG A 58 -4.570 8.603 -5.281 1.00 2.00 N ATOM 893 CA ARG A 58 -5.721 7.696 -5.633 1.00 2.00 C ATOM 894 C ARG A 58 -5.413 6.631 -6.751 1.00 2.00 C ATOM 895 O ARG A 58 -6.340 6.030 -7.299 1.00 2.00 O ATOM 896 CB ARG A 58 -7.094 8.416 -5.833 1.00 2.00 C ATOM 897 CG ARG A 58 -7.580 9.378 -4.700 1.00 2.00 C ATOM 898 CD ARG A 58 -8.371 10.615 -5.176 1.00 2.00 C ATOM 899 NE ARG A 58 -7.466 11.399 -6.066 1.00 2.00 N ATOM 900 CZ ARG A 58 -7.811 12.381 -6.876 1.00 2.00 C ATOM 901 NH1 ARG A 58 -8.957 12.995 -6.825 1.00 2.00 N ATOM 902 NH2 ARG A 58 -6.942 12.745 -7.763 1.00 2.00 N ATOM 0 H ARG A 58 -4.066 8.292 -4.451 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.843 7.113 -4.720 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -7.041 8.988 -6.759 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.857 7.651 -5.974 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -8.205 8.812 -4.009 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -6.710 9.718 -4.138 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -9.271 10.314 -5.711 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -8.692 11.217 -4.326 1.00 2.00 H new ATOM 0 HE ARG A 58 -6.477 11.149 -6.046 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -9.651 12.723 -6.128 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -9.162 13.748 -7.482 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -6.037 12.277 -7.813 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -7.162 13.500 -8.413 1.00 2.00 H new ATOM 916 N CYS A 59 -4.132 6.352 -7.069 1.00 2.00 N ATOM 917 CA CYS A 59 -3.740 5.356 -8.107 1.00 2.00 C ATOM 918 C CYS A 59 -4.151 3.863 -7.794 1.00 2.00 C ATOM 919 O CYS A 59 -4.345 3.062 -8.711 1.00 2.00 O ATOM 920 CB CYS A 59 -2.227 5.554 -8.313 1.00 2.00 C ATOM 921 SG CYS A 59 -1.634 4.261 -9.409 1.00 2.00 S ATOM 0 H CYS A 59 -3.337 6.805 -6.619 1.00 2.00 H new ATOM 0 HA CYS A 59 -4.296 5.536 -9.027 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -2.027 6.536 -8.741 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -1.705 5.511 -7.357 1.00 2.00 H new ATOM 926 N ASN A 60 -4.300 3.482 -6.514 1.00 2.00 N ATOM 927 CA ASN A 60 -4.685 2.117 -6.074 1.00 2.00 C ATOM 928 C ASN A 60 -6.166 1.712 -6.392 1.00 2.00 C ATOM 929 O ASN A 60 -6.985 1.356 -5.545 1.00 2.00 O ATOM 930 CB ASN A 60 -4.277 1.977 -4.577 1.00 2.00 C ATOM 931 CG ASN A 60 -4.931 2.915 -3.547 1.00 2.00 C ATOM 932 OD1 ASN A 60 -5.762 3.768 -3.838 1.00 2.00 O ATOM 933 ND2 ASN A 60 -4.529 2.827 -2.312 1.00 2.00 N ATOM 934 OXT ASN A 60 -6.449 1.757 -7.731 1.00 0.00 O ATOM 0 H ASN A 60 -4.154 4.123 -5.734 1.00 2.00 H new ATOM 0 HA ASN A 60 -4.141 1.383 -6.668 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.485 0.952 -4.271 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -3.198 2.115 -4.513 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.905 3.461 -1.607 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.838 2.124 -2.049 1.00 2.00 H new