USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 621 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 7 THR OG1 : rot 25:sc= 0.134 USER MOD Set 1.3: A 9 THR OG1 : rot 180:sc= 0.088 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0276) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 172:sc= -1.87 (180deg=-2.18) USER MOD Single : A 18 CYS SG : rot 140:sc= -0.835 USER MOD Single : A 19 GLN : amide:sc=-0.00196 K(o=-0.002,f=-0.69) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.21! C(o=-2.2!,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0908 (180deg=-0.43) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.6!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -18:sc= -0.757 USER MOD Single : A 49 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-8.3!) USER MOD Single : A 55 THR OG1 : rot 75:sc= 0.924 USER MOD Single : A 56 MET CE :methyl -116:sc= -5.72 (180deg=-10.7!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.050 11.360 17.603 1.00 0.00 N ATOM 2 CA MET A 1 9.752 10.231 18.268 1.00 0.00 C ATOM 3 C MET A 1 10.764 9.580 17.330 1.00 0.00 C ATOM 4 O MET A 1 11.884 9.268 17.731 1.00 0.00 O ATOM 5 CB MET A 1 8.708 9.203 18.713 1.00 0.00 C ATOM 6 CG MET A 1 9.202 8.270 19.806 1.00 0.00 C ATOM 7 SD MET A 1 7.861 7.370 20.607 1.00 0.00 S ATOM 8 CE MET A 1 8.563 5.725 20.699 1.00 0.00 C ATOM 0 H1 MET A 1 8.444 11.847 18.294 1.00 0.00 H new ATOM 0 H2 MET A 1 9.750 12.029 17.224 1.00 0.00 H new ATOM 0 H3 MET A 1 8.464 10.995 16.825 1.00 0.00 H new ATOM 0 HA MET A 1 10.301 10.609 19.131 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.821 9.728 19.068 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.403 8.610 17.851 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.908 7.558 19.379 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.745 8.848 20.554 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.849 5.051 21.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.787 5.368 19.694 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.480 5.753 21.287 1.00 0.00 H new ATOM 20 N SER A 2 10.360 9.378 16.080 1.00 0.00 N ATOM 21 CA SER A 2 11.232 8.765 15.084 1.00 0.00 C ATOM 22 C SER A 2 11.396 9.673 13.871 1.00 0.00 C ATOM 23 O SER A 2 12.514 9.999 13.472 1.00 0.00 O ATOM 24 CB SER A 2 10.671 7.409 14.651 1.00 0.00 C ATOM 25 OG SER A 2 9.269 7.352 14.847 1.00 0.00 O ATOM 0 H SER A 2 9.435 9.630 15.733 1.00 0.00 H new ATOM 0 HA SER A 2 12.212 8.617 15.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.902 7.235 13.600 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.154 6.614 15.219 1.00 0.00 H new ATOM 0 HG SER A 2 8.934 6.476 14.561 1.00 0.00 H new ATOM 31 N GLU A 3 10.274 10.079 13.286 1.00 0.00 N ATOM 32 CA GLU A 3 10.292 10.949 12.117 1.00 0.00 C ATOM 33 C GLU A 3 9.296 12.094 12.278 1.00 0.00 C ATOM 34 O GLU A 3 8.197 11.904 12.798 1.00 0.00 O ATOM 35 CB GLU A 3 9.968 10.148 10.855 1.00 0.00 C ATOM 36 CG GLU A 3 10.517 10.771 9.582 1.00 0.00 C ATOM 37 CD GLU A 3 11.577 9.912 8.919 1.00 0.00 C ATOM 38 OE1 GLU A 3 12.434 9.362 9.643 1.00 0.00 O ATOM 39 OE2 GLU A 3 11.549 9.788 7.677 1.00 0.00 O ATOM 0 H GLU A 3 9.340 9.819 13.603 1.00 0.00 H new ATOM 0 HA GLU A 3 11.292 11.372 12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.372 9.141 10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.886 10.050 10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.699 10.936 8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.940 11.748 9.814 1.00 0.00 H new ATOM 46 N LYS A 4 9.687 13.282 11.825 1.00 0.00 N ATOM 47 CA LYS A 4 8.825 14.454 11.918 1.00 0.00 C ATOM 48 C LYS A 4 7.505 14.217 11.188 1.00 0.00 C ATOM 49 O LYS A 4 6.430 14.316 11.780 1.00 0.00 O ATOM 50 CB LYS A 4 9.532 15.684 11.344 1.00 0.00 C ATOM 51 CG LYS A 4 10.086 16.618 12.406 1.00 0.00 C ATOM 52 CD LYS A 4 9.977 18.074 11.982 1.00 0.00 C ATOM 53 CE LYS A 4 8.739 18.734 12.568 1.00 0.00 C ATOM 54 NZ LYS A 4 8.869 20.218 12.613 1.00 0.00 N ATOM 0 H LYS A 4 10.593 13.457 11.391 1.00 0.00 H new ATOM 0 HA LYS A 4 8.608 14.633 12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.347 15.356 10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.832 16.235 10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.545 16.469 13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.130 16.372 12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.866 18.615 12.304 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.943 18.136 10.894 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.867 18.464 11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.567 18.354 13.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.005 20.630 13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.686 20.477 13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.007 20.584 11.649 1.00 0.00 H new ATOM 68 N PRO A 5 7.568 13.899 9.882 1.00 0.00 N ATOM 69 CA PRO A 5 6.379 13.650 9.066 1.00 0.00 C ATOM 70 C PRO A 5 5.844 12.225 9.215 1.00 0.00 C ATOM 71 O PRO A 5 5.406 11.616 8.239 1.00 0.00 O ATOM 72 CB PRO A 5 6.894 13.877 7.650 1.00 0.00 C ATOM 73 CG PRO A 5 8.321 13.446 7.702 1.00 0.00 C ATOM 74 CD PRO A 5 8.810 13.767 9.094 1.00 0.00 C ATOM 0 HA PRO A 5 5.544 14.289 9.352 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.329 13.294 6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.805 14.923 7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.413 12.380 7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.913 13.970 6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.450 12.976 9.485 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.394 14.687 9.111 1.00 0.00 H new ATOM 82 N LEU A 6 5.875 11.701 10.438 1.00 0.00 N ATOM 83 CA LEU A 6 5.388 10.352 10.706 1.00 0.00 C ATOM 84 C LEU A 6 6.140 9.317 9.875 1.00 0.00 C ATOM 85 O LEU A 6 6.768 9.650 8.869 1.00 0.00 O ATOM 86 CB LEU A 6 3.886 10.264 10.419 1.00 0.00 C ATOM 87 CG LEU A 6 2.991 11.166 11.280 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.639 10.508 11.502 1.00 0.00 C ATOM 89 CD2 LEU A 6 3.650 11.481 12.618 1.00 0.00 C ATOM 0 H LEU A 6 6.232 12.191 11.258 1.00 0.00 H new ATOM 0 HA LEU A 6 5.565 10.135 11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.720 10.512 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.568 9.230 10.556 1.00 0.00 H new ATOM 0 HG LEU A 6 2.846 12.105 10.746 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.014 11.158 12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.154 10.339 10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.778 9.554 12.011 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.992 12.121 13.206 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.833 10.554 13.161 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.596 11.993 12.446 1.00 0.00 H new ATOM 101 N THR A 7 6.073 8.061 10.304 1.00 0.00 N ATOM 102 CA THR A 7 6.745 6.972 9.603 1.00 0.00 C ATOM 103 C THR A 7 5.732 6.037 8.949 1.00 0.00 C ATOM 104 O THR A 7 4.523 6.243 9.057 1.00 0.00 O ATOM 105 CB THR A 7 7.633 6.186 10.571 1.00 0.00 C ATOM 106 OG1 THR A 7 7.098 6.221 11.881 1.00 0.00 O ATOM 107 CG2 THR A 7 9.052 6.707 10.639 1.00 0.00 C ATOM 0 H THR A 7 5.559 7.771 11.136 1.00 0.00 H new ATOM 0 HA THR A 7 7.367 7.406 8.821 1.00 0.00 H new ATOM 0 HB THR A 7 7.656 5.168 10.181 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.131 6.371 11.835 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.627 6.105 11.343 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.510 6.646 9.652 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.043 7.745 10.972 1.00 0.00 H new ATOM 115 N LYS A 8 6.234 5.009 8.271 1.00 0.00 N ATOM 116 CA LYS A 8 5.374 4.042 7.599 1.00 0.00 C ATOM 117 C LYS A 8 4.446 3.348 8.594 1.00 0.00 C ATOM 118 O LYS A 8 3.337 2.946 8.245 1.00 0.00 O ATOM 119 CB LYS A 8 6.222 3.003 6.861 1.00 0.00 C ATOM 120 CG LYS A 8 5.774 2.763 5.427 1.00 0.00 C ATOM 121 CD LYS A 8 6.865 3.126 4.431 1.00 0.00 C ATOM 122 CE LYS A 8 6.302 3.884 3.238 1.00 0.00 C ATOM 123 NZ LYS A 8 6.953 3.476 1.962 1.00 0.00 N ATOM 0 H LYS A 8 7.232 4.825 8.173 1.00 0.00 H new ATOM 0 HA LYS A 8 4.760 4.580 6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.262 3.330 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.185 2.061 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.500 1.716 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.881 3.353 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.622 3.734 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.360 2.219 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.228 3.708 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.441 4.954 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.541 4.016 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.974 3.667 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.799 2.460 1.803 1.00 0.00 H new ATOM 137 N THR A 9 4.910 3.210 9.832 1.00 0.00 N ATOM 138 CA THR A 9 4.123 2.561 10.875 1.00 0.00 C ATOM 139 C THR A 9 3.073 3.513 11.445 1.00 0.00 C ATOM 140 O THR A 9 2.013 3.081 11.898 1.00 0.00 O ATOM 141 CB THR A 9 5.036 2.063 11.997 1.00 0.00 C ATOM 142 OG1 THR A 9 6.179 2.891 12.118 1.00 0.00 O ATOM 143 CG2 THR A 9 5.516 0.644 11.790 1.00 0.00 C ATOM 0 H THR A 9 5.826 3.539 10.137 1.00 0.00 H new ATOM 0 HA THR A 9 3.609 1.711 10.427 1.00 0.00 H new ATOM 0 HB THR A 9 4.428 2.096 12.901 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.749 2.557 12.842 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.159 0.353 12.621 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.658 -0.027 11.742 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.077 0.582 10.858 1.00 0.00 H new ATOM 151 N ASP A 10 3.376 4.807 11.421 1.00 0.00 N ATOM 152 CA ASP A 10 2.457 5.815 11.940 1.00 0.00 C ATOM 153 C ASP A 10 1.157 5.836 11.141 1.00 0.00 C ATOM 154 O ASP A 10 0.067 5.790 11.711 1.00 0.00 O ATOM 155 CB ASP A 10 3.112 7.196 11.906 1.00 0.00 C ATOM 156 CG ASP A 10 4.068 7.412 13.063 1.00 0.00 C ATOM 157 OD1 ASP A 10 3.615 7.355 14.226 1.00 0.00 O ATOM 158 OD2 ASP A 10 5.269 7.640 12.807 1.00 0.00 O ATOM 0 H ASP A 10 4.248 5.182 11.049 1.00 0.00 H new ATOM 0 HA ASP A 10 2.221 5.556 12.972 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.651 7.316 10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.338 7.963 11.930 1.00 0.00 H new ATOM 163 N TYR A 11 1.278 5.907 9.819 1.00 0.00 N ATOM 164 CA TYR A 11 0.109 5.933 8.947 1.00 0.00 C ATOM 165 C TYR A 11 -0.540 4.556 8.869 1.00 0.00 C ATOM 166 O TYR A 11 -1.764 4.431 8.923 1.00 0.00 O ATOM 167 CB TYR A 11 0.500 6.405 7.546 1.00 0.00 C ATOM 168 CG TYR A 11 0.519 7.909 7.393 1.00 0.00 C ATOM 169 CD1 TYR A 11 1.224 8.708 8.284 1.00 0.00 C ATOM 170 CD2 TYR A 11 -0.166 8.530 6.355 1.00 0.00 C ATOM 171 CE1 TYR A 11 1.245 10.084 8.147 1.00 0.00 C ATOM 172 CE2 TYR A 11 -0.151 9.905 6.212 1.00 0.00 C ATOM 173 CZ TYR A 11 0.556 10.676 7.110 1.00 0.00 C ATOM 174 OH TYR A 11 0.574 12.045 6.969 1.00 0.00 O ATOM 0 H TYR A 11 2.172 5.947 9.329 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.612 6.633 9.369 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.487 6.012 7.302 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.198 5.984 6.823 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.765 8.247 9.097 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.719 7.929 5.649 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.798 10.691 8.848 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.690 10.373 5.401 1.00 0.00 H new ATOM 0 HH TYR A 11 0.040 12.300 6.188 1.00 0.00 H new ATOM 184 N LEU A 12 0.289 3.526 8.740 1.00 0.00 N ATOM 185 CA LEU A 12 -0.200 2.154 8.654 1.00 0.00 C ATOM 186 C LEU A 12 -1.083 1.812 9.852 1.00 0.00 C ATOM 187 O LEU A 12 -2.118 1.161 9.707 1.00 0.00 O ATOM 188 CB LEU A 12 0.976 1.176 8.577 1.00 0.00 C ATOM 189 CG LEU A 12 0.596 -0.307 8.617 1.00 0.00 C ATOM 190 CD1 LEU A 12 0.623 -0.906 7.219 1.00 0.00 C ATOM 191 CD2 LEU A 12 1.529 -1.073 9.544 1.00 0.00 C ATOM 0 H LEU A 12 1.304 3.615 8.693 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.799 2.065 7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.528 1.368 7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.654 1.383 9.405 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.419 -0.389 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.350 -1.960 7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.087 -0.377 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.625 -0.810 6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.244 -2.125 9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.554 -0.981 9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.458 -0.663 10.551 1.00 0.00 H new ATOM 203 N MET A 13 -0.665 2.252 11.033 1.00 0.00 N ATOM 204 CA MET A 13 -1.417 1.989 12.254 1.00 0.00 C ATOM 205 C MET A 13 -2.666 2.860 12.327 1.00 0.00 C ATOM 206 O MET A 13 -3.739 2.392 12.708 1.00 0.00 O ATOM 207 CB MET A 13 -0.537 2.233 13.481 1.00 0.00 C ATOM 208 CG MET A 13 0.561 1.196 13.657 1.00 0.00 C ATOM 209 SD MET A 13 0.098 -0.118 14.801 1.00 0.00 S ATOM 210 CE MET A 13 -1.450 -0.661 14.081 1.00 0.00 C ATOM 0 H MET A 13 0.189 2.792 11.171 1.00 0.00 H new ATOM 0 HA MET A 13 -1.729 0.945 12.240 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.083 3.221 13.402 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.164 2.241 14.372 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.802 0.760 12.688 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.464 1.687 14.020 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.792 -1.562 14.590 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.198 0.124 14.192 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.303 -0.876 13.022 1.00 0.00 H new ATOM 220 N ARG A 14 -2.518 4.130 11.964 1.00 0.00 N ATOM 221 CA ARG A 14 -3.637 5.065 11.993 1.00 0.00 C ATOM 222 C ARG A 14 -4.699 4.678 10.969 1.00 0.00 C ATOM 223 O ARG A 14 -5.897 4.785 11.234 1.00 0.00 O ATOM 224 CB ARG A 14 -3.145 6.489 11.724 1.00 0.00 C ATOM 225 CG ARG A 14 -2.284 7.057 12.840 1.00 0.00 C ATOM 226 CD ARG A 14 -3.123 7.461 14.043 1.00 0.00 C ATOM 227 NE ARG A 14 -2.334 8.173 15.045 1.00 0.00 N ATOM 228 CZ ARG A 14 -2.701 8.309 16.318 1.00 0.00 C ATOM 229 NH1 ARG A 14 -3.842 7.785 16.747 1.00 0.00 N ATOM 230 NH2 ARG A 14 -1.923 8.972 17.164 1.00 0.00 N ATOM 0 H ARG A 14 -1.637 4.534 11.647 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.086 5.024 12.985 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.574 6.498 10.796 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.007 7.140 11.574 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.545 6.316 13.143 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.734 7.923 12.472 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.948 8.093 13.714 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.563 6.571 14.493 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.450 8.590 14.753 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.444 7.275 16.101 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.117 7.893 17.723 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.045 9.377 16.839 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.203 9.077 18.139 1.00 0.00 H new ATOM 244 N LEU A 15 -4.254 4.230 9.799 1.00 0.00 N ATOM 245 CA LEU A 15 -5.170 3.828 8.737 1.00 0.00 C ATOM 246 C LEU A 15 -6.079 2.695 9.201 1.00 0.00 C ATOM 247 O LEU A 15 -7.286 2.715 8.962 1.00 0.00 O ATOM 248 CB LEU A 15 -4.388 3.396 7.494 1.00 0.00 C ATOM 249 CG LEU A 15 -5.047 3.748 6.159 1.00 0.00 C ATOM 250 CD1 LEU A 15 -3.995 4.115 5.124 1.00 0.00 C ATOM 251 CD2 LEU A 15 -5.902 2.590 5.666 1.00 0.00 C ATOM 0 H LEU A 15 -3.266 4.136 9.563 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.792 4.687 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.400 3.856 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.238 2.317 7.534 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.693 4.612 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.483 4.362 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.425 4.975 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.322 3.271 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.363 2.857 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.276 1.708 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.680 2.374 6.399 1.00 0.00 H new ATOM 263 N ARG A 16 -5.490 1.708 9.867 1.00 0.00 N ATOM 264 CA ARG A 16 -6.244 0.564 10.368 1.00 0.00 C ATOM 265 C ARG A 16 -7.063 0.946 11.599 1.00 0.00 C ATOM 266 O ARG A 16 -8.082 0.321 11.896 1.00 0.00 O ATOM 267 CB ARG A 16 -5.298 -0.588 10.709 1.00 0.00 C ATOM 268 CG ARG A 16 -5.946 -1.959 10.601 1.00 0.00 C ATOM 269 CD ARG A 16 -4.929 -3.028 10.236 1.00 0.00 C ATOM 270 NE ARG A 16 -5.191 -4.290 10.924 1.00 0.00 N ATOM 271 CZ ARG A 16 -4.693 -5.462 10.539 1.00 0.00 C ATOM 272 NH1 ARG A 16 -3.906 -5.539 9.473 1.00 0.00 N ATOM 273 NH2 ARG A 16 -4.981 -6.562 11.221 1.00 0.00 N ATOM 0 H ARG A 16 -4.491 1.677 10.073 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.929 0.243 9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.436 -0.549 10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.923 -0.451 11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.420 -2.214 11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.734 -1.932 9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.946 -3.192 9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.928 -2.678 10.489 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.791 -4.271 11.748 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.680 -4.697 8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.527 -6.440 9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.585 -6.510 12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.599 -7.460 10.925 1.00 0.00 H new ATOM 287 N ARG A 17 -6.609 1.972 12.313 1.00 0.00 N ATOM 288 CA ARG A 17 -7.297 2.435 13.513 1.00 0.00 C ATOM 289 C ARG A 17 -8.749 2.802 13.213 1.00 0.00 C ATOM 290 O ARG A 17 -9.591 2.816 14.111 1.00 0.00 O ATOM 291 CB ARG A 17 -6.568 3.641 14.107 1.00 0.00 C ATOM 292 CG ARG A 17 -7.079 4.045 15.482 1.00 0.00 C ATOM 293 CD ARG A 17 -6.884 5.531 15.735 1.00 0.00 C ATOM 294 NE ARG A 17 -8.150 6.261 15.711 1.00 0.00 N ATOM 295 CZ ARG A 17 -8.307 7.489 16.197 1.00 0.00 C ATOM 296 NH1 ARG A 17 -7.283 8.130 16.746 1.00 0.00 N ATOM 297 NH2 ARG A 17 -9.493 8.080 16.136 1.00 0.00 N ATOM 0 H ARG A 17 -5.767 2.499 12.081 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.294 1.619 14.236 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.504 3.414 14.176 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.670 4.487 13.428 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.137 3.797 15.565 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.556 3.473 16.248 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.401 5.674 16.702 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.214 5.942 14.980 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.961 5.801 15.297 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.369 7.681 16.797 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.410 9.072 17.117 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.285 7.593 15.716 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.613 9.022 16.509 1.00 0.00 H new ATOM 311 N CYS A 18 -9.037 3.100 11.948 1.00 0.00 N ATOM 312 CA CYS A 18 -10.389 3.469 11.537 1.00 0.00 C ATOM 313 C CYS A 18 -11.408 2.430 11.999 1.00 0.00 C ATOM 314 O CYS A 18 -11.042 1.382 12.531 1.00 0.00 O ATOM 315 CB CYS A 18 -10.458 3.627 10.017 1.00 0.00 C ATOM 316 SG CYS A 18 -11.448 5.036 9.466 1.00 0.00 S ATOM 0 H CYS A 18 -8.353 3.093 11.191 1.00 0.00 H new ATOM 0 HA CYS A 18 -10.634 4.421 12.007 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.446 3.733 9.627 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.872 2.715 9.586 1.00 0.00 H new ATOM 0 HG CYS A 18 -10.860 5.612 8.460 1.00 0.00 H new ATOM 322 N GLN A 19 -12.686 2.730 11.796 1.00 0.00 N ATOM 323 CA GLN A 19 -13.757 1.824 12.194 1.00 0.00 C ATOM 324 C GLN A 19 -14.297 1.050 10.997 1.00 0.00 C ATOM 325 O GLN A 19 -14.624 -0.132 11.106 1.00 0.00 O ATOM 326 CB GLN A 19 -14.891 2.603 12.864 1.00 0.00 C ATOM 327 CG GLN A 19 -15.403 3.766 12.031 1.00 0.00 C ATOM 328 CD GLN A 19 -16.693 4.349 12.573 1.00 0.00 C ATOM 329 OE1 GLN A 19 -17.567 3.621 13.045 1.00 0.00 O ATOM 330 NE2 GLN A 19 -16.819 5.670 12.506 1.00 0.00 N ATOM 0 H GLN A 19 -13.006 3.594 11.358 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.343 1.110 12.906 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.717 1.922 13.069 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.543 2.981 13.825 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.642 4.546 11.997 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.563 3.431 11.006 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.069 6.234 12.107 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.666 6.120 12.854 1.00 0.00 H new ATOM 339 N THR A 20 -14.389 1.723 9.855 1.00 0.00 N ATOM 340 CA THR A 20 -14.893 1.095 8.639 1.00 0.00 C ATOM 341 C THR A 20 -14.104 1.553 7.417 1.00 0.00 C ATOM 342 O THR A 20 -13.443 2.592 7.444 1.00 0.00 O ATOM 343 CB THR A 20 -16.377 1.416 8.451 1.00 0.00 C ATOM 344 OG1 THR A 20 -16.911 0.695 7.355 1.00 0.00 O ATOM 345 CG2 THR A 20 -16.645 2.886 8.209 1.00 0.00 C ATOM 0 H THR A 20 -14.122 2.701 9.746 1.00 0.00 H new ATOM 0 HA THR A 20 -14.770 0.017 8.743 1.00 0.00 H new ATOM 0 HB THR A 20 -16.856 1.125 9.386 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.861 0.912 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.716 3.045 8.084 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.289 3.466 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.123 3.207 7.308 1.00 0.00 H new ATOM 353 N ILE A 21 -14.180 0.771 6.347 1.00 0.00 N ATOM 354 CA ILE A 21 -13.477 1.091 5.111 1.00 0.00 C ATOM 355 C ILE A 21 -14.160 2.233 4.363 1.00 0.00 C ATOM 356 O ILE A 21 -13.497 3.081 3.767 1.00 0.00 O ATOM 357 CB ILE A 21 -13.392 -0.139 4.185 1.00 0.00 C ATOM 358 CG1 ILE A 21 -12.711 -1.304 4.907 1.00 0.00 C ATOM 359 CG2 ILE A 21 -12.646 0.205 2.904 1.00 0.00 C ATOM 360 CD1 ILE A 21 -11.335 -0.965 5.439 1.00 0.00 C ATOM 0 H ILE A 21 -14.723 -0.092 6.311 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.470 1.401 5.390 1.00 0.00 H new ATOM 0 HB ILE A 21 -14.405 -0.441 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -13.342 -1.626 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -12.629 -2.147 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.597 -0.676 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.171 1.005 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.636 0.533 3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.913 -1.837 5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.688 -0.671 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.412 -0.142 6.150 1.00 0.00 H new ATOM 372 N ASP A 22 -15.489 2.243 4.393 1.00 0.00 N ATOM 373 CA ASP A 22 -16.266 3.277 3.712 1.00 0.00 C ATOM 374 C ASP A 22 -15.827 4.674 4.141 1.00 0.00 C ATOM 375 O ASP A 22 -15.549 5.532 3.302 1.00 0.00 O ATOM 376 CB ASP A 22 -17.757 3.091 3.994 1.00 0.00 C ATOM 377 CG ASP A 22 -18.360 1.949 3.200 1.00 0.00 C ATOM 378 OD1 ASP A 22 -18.584 2.125 1.985 1.00 0.00 O ATOM 379 OD2 ASP A 22 -18.607 0.879 3.795 1.00 0.00 O ATOM 0 H ASP A 22 -16.052 1.547 4.882 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.087 3.178 2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.902 2.905 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.286 4.014 3.756 1.00 0.00 H new ATOM 384 N THR A 23 -15.765 4.899 5.449 1.00 0.00 N ATOM 385 CA THR A 23 -15.357 6.192 5.981 1.00 0.00 C ATOM 386 C THR A 23 -13.855 6.397 5.796 1.00 0.00 C ATOM 387 O THR A 23 -13.386 7.523 5.635 1.00 0.00 O ATOM 388 CB THR A 23 -15.749 6.296 7.462 1.00 0.00 C ATOM 389 OG1 THR A 23 -17.011 6.923 7.601 1.00 0.00 O ATOM 390 CG2 THR A 23 -14.762 7.070 8.311 1.00 0.00 C ATOM 0 H THR A 23 -15.992 4.203 6.159 1.00 0.00 H new ATOM 0 HA THR A 23 -15.872 6.980 5.432 1.00 0.00 H new ATOM 0 HB THR A 23 -15.767 5.266 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 23 -17.245 6.979 8.551 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.112 7.097 9.343 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.788 6.583 8.271 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.675 8.088 7.931 1.00 0.00 H new ATOM 398 N LEU A 24 -13.107 5.298 5.815 1.00 0.00 N ATOM 399 CA LEU A 24 -11.660 5.354 5.645 1.00 0.00 C ATOM 400 C LEU A 24 -11.301 5.728 4.212 1.00 0.00 C ATOM 401 O LEU A 24 -10.367 6.490 3.977 1.00 0.00 O ATOM 402 CB LEU A 24 -11.030 4.006 6.017 1.00 0.00 C ATOM 403 CG LEU A 24 -9.539 3.853 5.687 1.00 0.00 C ATOM 404 CD1 LEU A 24 -9.350 3.488 4.223 1.00 0.00 C ATOM 405 CD2 LEU A 24 -8.776 5.126 6.026 1.00 0.00 C ATOM 0 H LEU A 24 -13.480 4.358 5.947 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.264 6.122 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.164 3.846 7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.579 3.216 5.505 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.137 3.044 6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.286 3.384 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.856 2.545 4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.772 4.273 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.722 4.994 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.180 5.957 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.880 5.340 7.090 1.00 0.00 H new ATOM 417 N GLU A 25 -12.050 5.196 3.254 1.00 0.00 N ATOM 418 CA GLU A 25 -11.803 5.489 1.847 1.00 0.00 C ATOM 419 C GLU A 25 -11.889 6.990 1.590 1.00 0.00 C ATOM 420 O GLU A 25 -11.100 7.552 0.826 1.00 0.00 O ATOM 421 CB GLU A 25 -12.808 4.747 0.962 1.00 0.00 C ATOM 422 CG GLU A 25 -12.413 4.704 -0.504 1.00 0.00 C ATOM 423 CD GLU A 25 -13.053 5.815 -1.313 1.00 0.00 C ATOM 424 OE1 GLU A 25 -14.122 6.310 -0.899 1.00 0.00 O ATOM 425 OE2 GLU A 25 -12.484 6.189 -2.360 1.00 0.00 O ATOM 0 H GLU A 25 -12.831 4.562 3.424 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.798 5.149 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.919 3.727 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.783 5.226 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.329 4.778 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.700 3.741 -0.926 1.00 0.00 H new ATOM 432 N ARG A 26 -12.850 7.635 2.244 1.00 0.00 N ATOM 433 CA ARG A 26 -13.042 9.073 2.099 1.00 0.00 C ATOM 434 C ARG A 26 -11.778 9.829 2.495 1.00 0.00 C ATOM 435 O ARG A 26 -11.451 10.860 1.906 1.00 0.00 O ATOM 436 CB ARG A 26 -14.221 9.540 2.955 1.00 0.00 C ATOM 437 CG ARG A 26 -14.491 11.034 2.856 1.00 0.00 C ATOM 438 CD ARG A 26 -14.556 11.686 4.229 1.00 0.00 C ATOM 439 NE ARG A 26 -13.820 12.947 4.272 1.00 0.00 N ATOM 440 CZ ARG A 26 -13.418 13.534 5.397 1.00 0.00 C ATOM 441 NH1 ARG A 26 -13.680 12.979 6.573 1.00 0.00 N ATOM 442 NH2 ARG A 26 -12.753 14.680 5.345 1.00 0.00 N ATOM 0 H ARG A 26 -13.508 7.184 2.880 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.258 9.284 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.116 8.997 2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.028 9.282 3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.707 11.507 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.431 11.200 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.597 11.865 4.496 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.148 11.003 4.974 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.601 13.405 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.192 12.098 6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.369 13.433 7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.550 15.111 4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.445 15.130 6.207 1.00 0.00 H new ATOM 456 N VAL A 27 -11.067 9.312 3.494 1.00 0.00 N ATOM 457 CA VAL A 27 -9.841 9.950 3.955 1.00 0.00 C ATOM 458 C VAL A 27 -8.681 9.661 3.006 1.00 0.00 C ATOM 459 O VAL A 27 -7.740 10.448 2.908 1.00 0.00 O ATOM 460 CB VAL A 27 -9.470 9.525 5.397 1.00 0.00 C ATOM 461 CG1 VAL A 27 -8.896 8.115 5.447 1.00 0.00 C ATOM 462 CG2 VAL A 27 -8.497 10.524 6.002 1.00 0.00 C ATOM 0 H VAL A 27 -11.318 8.460 3.995 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.029 11.024 3.963 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.386 9.518 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.650 7.859 6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.632 7.409 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.995 8.067 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.243 10.216 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.591 10.562 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.958 11.511 6.028 1.00 0.00 H new ATOM 472 N ILE A 28 -8.758 8.536 2.298 1.00 0.00 N ATOM 473 CA ILE A 28 -7.716 8.161 1.351 1.00 0.00 C ATOM 474 C ILE A 28 -7.559 9.234 0.281 1.00 0.00 C ATOM 475 O ILE A 28 -6.448 9.550 -0.140 1.00 0.00 O ATOM 476 CB ILE A 28 -8.022 6.812 0.666 1.00 0.00 C ATOM 477 CG1 ILE A 28 -8.266 5.722 1.713 1.00 0.00 C ATOM 478 CG2 ILE A 28 -6.883 6.416 -0.263 1.00 0.00 C ATOM 479 CD1 ILE A 28 -8.496 4.349 1.120 1.00 0.00 C ATOM 0 H ILE A 28 -9.529 7.872 2.363 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.790 8.061 1.918 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.928 6.925 0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.409 5.679 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.131 5.997 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.115 5.463 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.755 7.181 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.962 6.320 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.662 3.629 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.370 4.375 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.622 4.052 0.541 1.00 0.00 H new ATOM 491 N GLU A 29 -8.686 9.790 -0.149 1.00 0.00 N ATOM 492 CA GLU A 29 -8.681 10.833 -1.168 1.00 0.00 C ATOM 493 C GLU A 29 -8.202 12.158 -0.585 1.00 0.00 C ATOM 494 O GLU A 29 -7.407 12.869 -1.201 1.00 0.00 O ATOM 495 CB GLU A 29 -10.080 10.999 -1.765 1.00 0.00 C ATOM 496 CG GLU A 29 -10.269 10.269 -3.085 1.00 0.00 C ATOM 497 CD GLU A 29 -11.240 9.110 -2.978 1.00 0.00 C ATOM 498 OE1 GLU A 29 -11.440 8.605 -1.853 1.00 0.00 O ATOM 499 OE2 GLU A 29 -11.801 8.708 -4.019 1.00 0.00 O ATOM 0 H GLU A 29 -9.613 9.536 0.192 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.992 10.534 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.817 10.635 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.278 12.060 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.630 10.972 -3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.304 9.899 -3.432 1.00 0.00 H new ATOM 506 N LYS A 30 -8.692 12.485 0.606 1.00 0.00 N ATOM 507 CA LYS A 30 -8.315 13.727 1.273 1.00 0.00 C ATOM 508 C LYS A 30 -6.835 13.720 1.646 1.00 0.00 C ATOM 509 O LYS A 30 -6.118 14.688 1.392 1.00 0.00 O ATOM 510 CB LYS A 30 -9.171 13.937 2.523 1.00 0.00 C ATOM 511 CG LYS A 30 -10.326 14.903 2.313 1.00 0.00 C ATOM 512 CD LYS A 30 -9.880 16.349 2.466 1.00 0.00 C ATOM 513 CE LYS A 30 -10.436 17.226 1.355 1.00 0.00 C ATOM 514 NZ LYS A 30 -11.912 17.389 1.460 1.00 0.00 N ATOM 0 H LYS A 30 -9.351 11.908 1.129 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.489 14.550 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.567 12.975 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.538 14.310 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.749 14.755 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.117 14.687 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.209 16.732 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.791 16.397 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.959 18.206 1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.187 16.788 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.251 17.993 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.369 16.457 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.149 17.831 2.371 1.00 0.00 H new ATOM 528 N ASN A 31 -6.385 12.625 2.251 1.00 0.00 N ATOM 529 CA ASN A 31 -4.989 12.498 2.660 1.00 0.00 C ATOM 530 C ASN A 31 -4.069 12.401 1.448 1.00 0.00 C ATOM 531 O ASN A 31 -2.923 12.848 1.488 1.00 0.00 O ATOM 532 CB ASN A 31 -4.807 11.269 3.553 1.00 0.00 C ATOM 533 CG ASN A 31 -4.881 11.610 5.029 1.00 0.00 C ATOM 534 OD1 ASN A 31 -5.948 11.932 5.550 1.00 0.00 O ATOM 535 ND2 ASN A 31 -3.743 11.543 5.710 1.00 0.00 N ATOM 0 H ASN A 31 -6.965 11.814 2.469 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.721 13.392 3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.575 10.533 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.844 10.806 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.731 11.763 6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.881 11.271 5.237 1.00 0.00 H new ATOM 542 N LYS A 32 -4.576 11.810 0.372 1.00 0.00 N ATOM 543 CA LYS A 32 -3.799 11.649 -0.851 1.00 0.00 C ATOM 544 C LYS A 32 -3.379 13.003 -1.417 1.00 0.00 C ATOM 545 O LYS A 32 -2.286 13.145 -1.965 1.00 0.00 O ATOM 546 CB LYS A 32 -4.606 10.875 -1.896 1.00 0.00 C ATOM 547 CG LYS A 32 -4.272 9.391 -1.946 1.00 0.00 C ATOM 548 CD LYS A 32 -3.607 9.011 -3.259 1.00 0.00 C ATOM 549 CE LYS A 32 -4.613 8.951 -4.396 1.00 0.00 C ATOM 550 NZ LYS A 32 -5.621 7.875 -4.190 1.00 0.00 N ATOM 0 H LYS A 32 -5.523 11.434 0.322 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.899 11.085 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.668 10.993 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.427 11.313 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.612 9.138 -1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.184 8.808 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.830 9.737 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.118 8.043 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.120 9.912 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.088 8.782 -5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.065 7.636 -5.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.154 7.031 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.350 8.205 -3.525 1.00 0.00 H new ATOM 564 N TYR A 33 -4.256 13.993 -1.287 1.00 0.00 N ATOM 565 CA TYR A 33 -3.976 15.333 -1.792 1.00 0.00 C ATOM 566 C TYR A 33 -3.479 16.256 -0.681 1.00 0.00 C ATOM 567 O TYR A 33 -2.827 17.265 -0.949 1.00 0.00 O ATOM 568 CB TYR A 33 -5.230 15.925 -2.442 1.00 0.00 C ATOM 569 CG TYR A 33 -4.995 16.459 -3.836 1.00 0.00 C ATOM 570 CD1 TYR A 33 -4.625 15.610 -4.872 1.00 0.00 C ATOM 571 CD2 TYR A 33 -5.145 17.811 -4.118 1.00 0.00 C ATOM 572 CE1 TYR A 33 -4.409 16.093 -6.148 1.00 0.00 C ATOM 573 CE2 TYR A 33 -4.932 18.302 -5.392 1.00 0.00 C ATOM 574 CZ TYR A 33 -4.564 17.440 -6.403 1.00 0.00 C ATOM 575 OH TYR A 33 -4.351 17.926 -7.672 1.00 0.00 O ATOM 0 H TYR A 33 -5.166 13.893 -0.837 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.187 15.250 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.005 15.159 -2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.609 16.730 -1.813 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.504 14.555 -4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.433 18.489 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.120 15.420 -6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.053 19.356 -5.595 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.503 18.894 -7.681 1.00 0.00 H new ATOM 585 N GLU A 34 -3.792 15.910 0.565 1.00 0.00 N ATOM 586 CA GLU A 34 -3.378 16.717 1.707 1.00 0.00 C ATOM 587 C GLU A 34 -1.860 16.881 1.747 1.00 0.00 C ATOM 588 O GLU A 34 -1.340 17.969 1.500 1.00 0.00 O ATOM 589 CB GLU A 34 -3.871 16.086 3.012 1.00 0.00 C ATOM 590 CG GLU A 34 -4.696 17.031 3.870 1.00 0.00 C ATOM 591 CD GLU A 34 -4.598 16.709 5.349 1.00 0.00 C ATOM 592 OE1 GLU A 34 -3.469 16.706 5.883 1.00 0.00 O ATOM 593 OE2 GLU A 34 -5.651 16.460 5.973 1.00 0.00 O ATOM 0 H GLU A 34 -4.330 15.078 0.808 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.825 17.705 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.469 15.206 2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.011 15.743 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.362 18.055 3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.740 16.981 3.559 1.00 0.00 H new ATOM 600 N LEU A 35 -1.155 15.799 2.066 1.00 0.00 N ATOM 601 CA LEU A 35 0.302 15.837 2.141 1.00 0.00 C ATOM 602 C LEU A 35 0.930 15.967 0.760 1.00 0.00 C ATOM 603 O LEU A 35 0.300 16.438 -0.185 1.00 0.00 O ATOM 604 CB LEU A 35 0.849 14.591 2.861 1.00 0.00 C ATOM 605 CG LEU A 35 0.922 13.275 2.059 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.413 12.129 2.908 1.00 0.00 C ATOM 607 CD2 LEU A 35 0.145 13.328 0.752 1.00 0.00 C ATOM 0 H LEU A 35 -1.567 14.890 2.276 1.00 0.00 H new ATOM 0 HA LEU A 35 0.574 16.720 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.853 14.823 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.231 14.414 3.741 1.00 0.00 H new ATOM 0 HG LEU A 35 1.969 13.121 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.466 11.202 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.027 12.039 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.621 12.320 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.236 12.372 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.906 13.529 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.547 14.121 0.122 1.00 0.00 H new ATOM 619 N SER A 36 2.177 15.531 0.661 1.00 0.00 N ATOM 620 CA SER A 36 2.912 15.573 -0.592 1.00 0.00 C ATOM 621 C SER A 36 3.298 14.165 -1.020 1.00 0.00 C ATOM 622 O SER A 36 2.966 13.189 -0.348 1.00 0.00 O ATOM 623 CB SER A 36 4.164 16.440 -0.449 1.00 0.00 C ATOM 624 OG SER A 36 3.864 17.669 0.189 1.00 0.00 O ATOM 0 H SER A 36 2.704 15.141 1.442 1.00 0.00 H new ATOM 0 HA SER A 36 2.270 16.012 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.918 15.903 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.591 16.632 -1.433 1.00 0.00 H new ATOM 0 HG SER A 36 4.681 18.204 0.270 1.00 0.00 H new ATOM 630 N ASP A 37 4.007 14.065 -2.134 1.00 0.00 N ATOM 631 CA ASP A 37 4.447 12.774 -2.640 1.00 0.00 C ATOM 632 C ASP A 37 5.330 12.061 -1.618 1.00 0.00 C ATOM 633 O ASP A 37 5.447 10.836 -1.635 1.00 0.00 O ATOM 634 CB ASP A 37 5.206 12.951 -3.956 1.00 0.00 C ATOM 635 CG ASP A 37 4.883 11.861 -4.960 1.00 0.00 C ATOM 636 OD1 ASP A 37 3.704 11.456 -5.039 1.00 0.00 O ATOM 637 OD2 ASP A 37 5.810 11.411 -5.666 1.00 0.00 O ATOM 0 H ASP A 37 4.290 14.862 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 37 3.564 12.161 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.961 13.922 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.278 12.952 -3.757 1.00 0.00 H new ATOM 642 N ASN A 38 5.969 12.837 -0.744 1.00 0.00 N ATOM 643 CA ASN A 38 6.862 12.274 0.264 1.00 0.00 C ATOM 644 C ASN A 38 6.106 11.561 1.384 1.00 0.00 C ATOM 645 O ASN A 38 6.443 10.431 1.738 1.00 0.00 O ATOM 646 CB ASN A 38 7.742 13.375 0.857 1.00 0.00 C ATOM 647 CG ASN A 38 8.870 12.820 1.707 1.00 0.00 C ATOM 648 OD1 ASN A 38 8.656 11.950 2.551 1.00 0.00 O ATOM 649 ND2 ASN A 38 10.078 13.323 1.487 1.00 0.00 N ATOM 0 H ASN A 38 5.885 13.853 -0.714 1.00 0.00 H new ATOM 0 HA ASN A 38 7.481 11.530 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.161 13.976 0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.127 14.040 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.876 12.989 2.028 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.209 14.043 0.777 1.00 0.00 H new ATOM 656 N GLU A 39 5.083 12.206 1.940 1.00 0.00 N ATOM 657 CA GLU A 39 4.306 11.588 3.011 1.00 0.00 C ATOM 658 C GLU A 39 3.301 10.597 2.435 1.00 0.00 C ATOM 659 O GLU A 39 2.954 9.605 3.075 1.00 0.00 O ATOM 660 CB GLU A 39 3.597 12.640 3.876 1.00 0.00 C ATOM 661 CG GLU A 39 4.070 14.068 3.651 1.00 0.00 C ATOM 662 CD GLU A 39 5.565 14.231 3.852 1.00 0.00 C ATOM 663 OE1 GLU A 39 6.246 13.214 4.104 1.00 0.00 O ATOM 664 OE2 GLU A 39 6.054 15.376 3.759 1.00 0.00 O ATOM 0 H GLU A 39 4.776 13.141 1.672 1.00 0.00 H new ATOM 0 HA GLU A 39 4.999 11.048 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.526 12.591 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.741 12.385 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.808 14.377 2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.542 14.733 4.334 1.00 0.00 H new ATOM 671 N LEU A 40 2.839 10.875 1.218 1.00 0.00 N ATOM 672 CA LEU A 40 1.875 10.011 0.548 1.00 0.00 C ATOM 673 C LEU A 40 2.420 8.600 0.408 1.00 0.00 C ATOM 674 O LEU A 40 1.675 7.626 0.514 1.00 0.00 O ATOM 675 CB LEU A 40 1.523 10.576 -0.823 1.00 0.00 C ATOM 676 CG LEU A 40 0.450 9.804 -1.592 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.480 10.765 -2.317 1.00 0.00 C ATOM 678 CD2 LEU A 40 1.090 8.834 -2.573 1.00 0.00 C ATOM 0 H LEU A 40 3.118 11.693 0.677 1.00 0.00 H new ATOM 0 HA LEU A 40 0.972 9.971 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.187 11.605 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.429 10.607 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.140 9.229 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.237 10.199 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.965 11.418 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.095 11.367 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.311 8.294 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.705 9.387 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.714 8.125 -2.029 1.00 0.00 H new ATOM 690 N ALA A 41 3.728 8.489 0.194 1.00 0.00 N ATOM 691 CA ALA A 41 4.357 7.183 0.072 1.00 0.00 C ATOM 692 C ALA A 41 4.046 6.363 1.316 1.00 0.00 C ATOM 693 O ALA A 41 3.922 5.140 1.261 1.00 0.00 O ATOM 694 CB ALA A 41 5.859 7.328 -0.116 1.00 0.00 C ATOM 0 H ALA A 41 4.365 9.280 0.103 1.00 0.00 H new ATOM 0 HA ALA A 41 3.961 6.671 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.312 6.340 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.059 7.902 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.285 7.846 0.743 1.00 0.00 H new ATOM 700 N VAL A 42 3.894 7.068 2.434 1.00 0.00 N ATOM 701 CA VAL A 42 3.564 6.440 3.700 1.00 0.00 C ATOM 702 C VAL A 42 2.085 6.069 3.735 1.00 0.00 C ATOM 703 O VAL A 42 1.703 5.065 4.335 1.00 0.00 O ATOM 704 CB VAL A 42 3.885 7.371 4.888 1.00 0.00 C ATOM 705 CG1 VAL A 42 3.609 6.673 6.213 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.329 7.844 4.816 1.00 0.00 C ATOM 0 H VAL A 42 3.996 8.082 2.483 1.00 0.00 H new ATOM 0 HA VAL A 42 4.171 5.539 3.790 1.00 0.00 H new ATOM 0 HB VAL A 42 3.234 8.243 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.843 7.349 7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.558 6.390 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.229 5.780 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.540 8.500 5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.996 6.983 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.487 8.389 3.885 1.00 0.00 H new ATOM 716 N PHE A 43 1.252 6.886 3.084 1.00 0.00 N ATOM 717 CA PHE A 43 -0.183 6.627 3.048 1.00 0.00 C ATOM 718 C PHE A 43 -0.509 5.496 2.078 1.00 0.00 C ATOM 719 O PHE A 43 -1.319 4.620 2.382 1.00 0.00 O ATOM 720 CB PHE A 43 -0.947 7.891 2.653 1.00 0.00 C ATOM 721 CG PHE A 43 -2.389 7.869 3.073 1.00 0.00 C ATOM 722 CD1 PHE A 43 -3.326 7.152 2.345 1.00 0.00 C ATOM 723 CD2 PHE A 43 -2.808 8.563 4.196 1.00 0.00 C ATOM 724 CE1 PHE A 43 -4.652 7.128 2.731 1.00 0.00 C ATOM 725 CE2 PHE A 43 -4.133 8.543 4.587 1.00 0.00 C ATOM 726 CZ PHE A 43 -5.057 7.824 3.853 1.00 0.00 C ATOM 0 H PHE A 43 1.546 7.723 2.581 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.494 6.325 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.459 8.757 3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.893 8.017 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.016 6.606 1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.090 9.127 4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.372 6.565 2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.446 9.088 5.465 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.093 7.806 4.156 1.00 0.00 H new ATOM 736 N TYR A 44 0.126 5.521 0.911 1.00 0.00 N ATOM 737 CA TYR A 44 -0.097 4.494 -0.102 1.00 0.00 C ATOM 738 C TYR A 44 0.298 3.119 0.424 1.00 0.00 C ATOM 739 O TYR A 44 -0.405 2.132 0.202 1.00 0.00 O ATOM 740 CB TYR A 44 0.694 4.819 -1.370 1.00 0.00 C ATOM 741 CG TYR A 44 -0.069 4.543 -2.647 1.00 0.00 C ATOM 742 CD1 TYR A 44 -0.951 5.482 -3.167 1.00 0.00 C ATOM 743 CD2 TYR A 44 0.092 3.346 -3.332 1.00 0.00 C ATOM 744 CE1 TYR A 44 -1.650 5.235 -4.333 1.00 0.00 C ATOM 745 CE2 TYR A 44 -0.604 3.091 -4.499 1.00 0.00 C ATOM 746 CZ TYR A 44 -1.473 4.039 -4.996 1.00 0.00 C ATOM 747 OH TYR A 44 -2.167 3.789 -6.157 1.00 0.00 O ATOM 0 H TYR A 44 0.798 6.240 0.643 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.160 4.478 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.983 5.870 -1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.615 4.236 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.093 6.420 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.773 2.601 -2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.332 5.976 -4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.468 2.154 -5.019 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.926 2.902 -6.498 1.00 0.00 H new ATOM 757 N SER A 45 1.428 3.060 1.123 1.00 0.00 N ATOM 758 CA SER A 45 1.915 1.804 1.683 1.00 0.00 C ATOM 759 C SER A 45 0.884 1.196 2.627 1.00 0.00 C ATOM 760 O SER A 45 0.595 0.001 2.562 1.00 0.00 O ATOM 761 CB SER A 45 3.234 2.030 2.426 1.00 0.00 C ATOM 762 OG SER A 45 3.102 3.051 3.401 1.00 0.00 O ATOM 0 H SER A 45 2.023 3.866 1.315 1.00 0.00 H new ATOM 0 HA SER A 45 2.084 1.109 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.548 1.103 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.014 2.301 1.714 1.00 0.00 H new ATOM 0 HG SER A 45 2.308 3.591 3.204 1.00 0.00 H new ATOM 768 N ALA A 46 0.328 2.028 3.501 1.00 0.00 N ATOM 769 CA ALA A 46 -0.675 1.575 4.456 1.00 0.00 C ATOM 770 C ALA A 46 -1.891 0.998 3.739 1.00 0.00 C ATOM 771 O ALA A 46 -2.570 0.112 4.259 1.00 0.00 O ATOM 772 CB ALA A 46 -1.091 2.720 5.368 1.00 0.00 C ATOM 0 H ALA A 46 0.556 3.020 3.567 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.234 0.785 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.841 2.367 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.221 3.086 5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.510 3.528 4.769 1.00 0.00 H new ATOM 778 N ALA A 47 -2.161 1.507 2.540 1.00 0.00 N ATOM 779 CA ALA A 47 -3.295 1.043 1.750 1.00 0.00 C ATOM 780 C ALA A 47 -3.151 -0.435 1.401 1.00 0.00 C ATOM 781 O ALA A 47 -4.092 -1.213 1.553 1.00 0.00 O ATOM 782 CB ALA A 47 -3.432 1.876 0.485 1.00 0.00 C ATOM 0 H ALA A 47 -1.609 2.241 2.095 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.198 1.162 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.283 1.519 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.588 2.921 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.523 1.786 -0.110 1.00 0.00 H new ATOM 788 N ASP A 48 -1.966 -0.815 0.931 1.00 0.00 N ATOM 789 CA ASP A 48 -1.699 -2.200 0.559 1.00 0.00 C ATOM 790 C ASP A 48 -1.965 -3.140 1.731 1.00 0.00 C ATOM 791 O ASP A 48 -2.648 -4.154 1.585 1.00 0.00 O ATOM 792 CB ASP A 48 -0.252 -2.352 0.087 1.00 0.00 C ATOM 793 CG ASP A 48 -0.114 -2.185 -1.414 1.00 0.00 C ATOM 794 OD1 ASP A 48 -1.033 -2.607 -2.146 1.00 0.00 O ATOM 795 OD2 ASP A 48 0.914 -1.632 -1.857 1.00 0.00 O ATOM 0 H ASP A 48 -1.176 -0.183 0.799 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.371 -2.467 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.371 -1.613 0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.121 -3.335 0.377 1.00 0.00 H new ATOM 800 N HIS A 49 -1.425 -2.795 2.894 1.00 0.00 N ATOM 801 CA HIS A 49 -1.605 -3.605 4.093 1.00 0.00 C ATOM 802 C HIS A 49 -3.085 -3.724 4.446 1.00 0.00 C ATOM 803 O HIS A 49 -3.575 -4.812 4.750 1.00 0.00 O ATOM 804 CB HIS A 49 -0.829 -2.993 5.264 1.00 0.00 C ATOM 805 CG HIS A 49 -1.034 -3.706 6.567 1.00 0.00 C ATOM 806 ND1 HIS A 49 -0.969 -5.078 6.693 1.00 0.00 N ATOM 807 CD2 HIS A 49 -1.301 -3.227 7.806 1.00 0.00 C ATOM 808 CE1 HIS A 49 -1.186 -5.411 7.953 1.00 0.00 C ATOM 809 NE2 HIS A 49 -1.390 -4.308 8.648 1.00 0.00 N ATOM 0 H HIS A 49 -0.858 -1.958 3.032 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.218 -4.605 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.234 -2.995 5.023 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.128 -1.951 5.380 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.783 -5.732 5.933 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.421 -2.189 8.080 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.195 -6.416 8.348 1.00 0.00 H new ATOM 818 N ARG A 50 -3.793 -2.600 4.399 1.00 0.00 N ATOM 819 CA ARG A 50 -5.217 -2.582 4.710 1.00 0.00 C ATOM 820 C ARG A 50 -6.001 -3.399 3.689 1.00 0.00 C ATOM 821 O ARG A 50 -6.833 -4.230 4.052 1.00 0.00 O ATOM 822 CB ARG A 50 -5.738 -1.143 4.737 1.00 0.00 C ATOM 823 CG ARG A 50 -7.039 -0.981 5.506 1.00 0.00 C ATOM 824 CD ARG A 50 -6.788 -0.539 6.938 1.00 0.00 C ATOM 825 NE ARG A 50 -7.860 0.316 7.443 1.00 0.00 N ATOM 826 CZ ARG A 50 -9.032 -0.142 7.878 1.00 0.00 C ATOM 827 NH1 ARG A 50 -9.285 -1.445 7.875 1.00 0.00 N ATOM 828 NH2 ARG A 50 -9.950 0.705 8.319 1.00 0.00 N ATOM 0 H ARG A 50 -3.404 -1.691 4.149 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.356 -3.028 5.695 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.980 -0.499 5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.886 -0.800 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.671 -0.249 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.583 -1.925 5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.693 -1.417 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.841 -0.002 6.991 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.701 1.323 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.580 -2.101 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.185 -1.791 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.759 1.707 8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.848 0.355 8.652 1.00 0.00 H new ATOM 842 N LEU A 51 -5.727 -3.160 2.411 1.00 0.00 N ATOM 843 CA LEU A 51 -6.402 -3.878 1.336 1.00 0.00 C ATOM 844 C LEU A 51 -6.138 -5.377 1.440 1.00 0.00 C ATOM 845 O LEU A 51 -6.975 -6.194 1.055 1.00 0.00 O ATOM 846 CB LEU A 51 -5.936 -3.355 -0.026 1.00 0.00 C ATOM 847 CG LEU A 51 -7.054 -2.849 -0.942 1.00 0.00 C ATOM 848 CD1 LEU A 51 -7.074 -1.329 -0.973 1.00 0.00 C ATOM 849 CD2 LEU A 51 -6.892 -3.410 -2.347 1.00 0.00 C ATOM 0 H LEU A 51 -5.042 -2.474 2.094 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.474 -3.708 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.225 -2.545 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.399 -4.152 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.007 -3.197 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.875 -0.989 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.243 -0.947 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.118 -0.960 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.696 -3.038 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.932 -3.095 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.932 -4.499 -2.311 1.00 0.00 H new ATOM 861 N ALA A 52 -4.968 -5.728 1.964 1.00 0.00 N ATOM 862 CA ALA A 52 -4.587 -7.126 2.122 1.00 0.00 C ATOM 863 C ALA A 52 -5.548 -7.861 3.051 1.00 0.00 C ATOM 864 O ALA A 52 -6.065 -8.923 2.713 1.00 0.00 O ATOM 865 CB ALA A 52 -3.170 -7.219 2.666 1.00 0.00 C ATOM 0 H ALA A 52 -4.266 -5.062 2.287 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.633 -7.601 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.893 -8.267 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.482 -6.736 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.119 -6.721 3.634 1.00 0.00 H new ATOM 871 N GLU A 53 -5.771 -7.289 4.228 1.00 0.00 N ATOM 872 CA GLU A 53 -6.654 -7.887 5.224 1.00 0.00 C ATOM 873 C GLU A 53 -8.097 -7.950 4.732 1.00 0.00 C ATOM 874 O GLU A 53 -8.872 -8.799 5.166 1.00 0.00 O ATOM 875 CB GLU A 53 -6.571 -7.096 6.531 1.00 0.00 C ATOM 876 CG GLU A 53 -7.585 -7.527 7.582 1.00 0.00 C ATOM 877 CD GLU A 53 -8.598 -6.443 7.895 1.00 0.00 C ATOM 878 OE1 GLU A 53 -8.195 -5.265 7.993 1.00 0.00 O ATOM 879 OE2 GLU A 53 -9.793 -6.773 8.045 1.00 0.00 O ATOM 0 H GLU A 53 -5.350 -6.406 4.518 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.323 -8.911 5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.568 -7.201 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.716 -6.038 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.108 -8.418 7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.060 -7.803 8.496 1.00 0.00 H new ATOM 886 N LEU A 54 -8.461 -7.042 3.838 1.00 0.00 N ATOM 887 CA LEU A 54 -9.818 -6.996 3.311 1.00 0.00 C ATOM 888 C LEU A 54 -10.058 -8.061 2.242 1.00 0.00 C ATOM 889 O LEU A 54 -11.155 -8.611 2.141 1.00 0.00 O ATOM 890 CB LEU A 54 -10.107 -5.612 2.731 1.00 0.00 C ATOM 891 CG LEU A 54 -10.509 -4.549 3.754 1.00 0.00 C ATOM 892 CD1 LEU A 54 -10.020 -3.177 3.316 1.00 0.00 C ATOM 893 CD2 LEU A 54 -12.019 -4.544 3.950 1.00 0.00 C ATOM 0 H LEU A 54 -7.837 -6.328 3.463 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.495 -7.201 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.220 -5.266 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.904 -5.704 1.994 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.040 -4.791 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.315 -2.432 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.934 -3.189 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.461 -2.925 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.288 -3.782 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.508 -4.325 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.343 -5.521 4.309 1.00 0.00 H new ATOM 905 N THR A 55 -9.044 -8.325 1.426 1.00 0.00 N ATOM 906 CA THR A 55 -9.173 -9.298 0.343 1.00 0.00 C ATOM 907 C THR A 55 -8.962 -10.745 0.799 1.00 0.00 C ATOM 908 O THR A 55 -9.695 -11.639 0.378 1.00 0.00 O ATOM 909 CB THR A 55 -8.184 -8.967 -0.775 1.00 0.00 C ATOM 910 OG1 THR A 55 -8.225 -7.586 -1.087 1.00 0.00 O ATOM 911 CG2 THR A 55 -8.449 -9.734 -2.053 1.00 0.00 C ATOM 0 H THR A 55 -8.127 -7.883 1.491 1.00 0.00 H new ATOM 0 HA THR A 55 -10.199 -9.225 -0.018 1.00 0.00 H new ATOM 0 HB THR A 55 -7.206 -9.257 -0.392 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.774 -7.078 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.712 -9.453 -2.806 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.377 -10.804 -1.857 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.449 -9.498 -2.418 1.00 0.00 H new ATOM 919 N MET A 56 -7.950 -10.986 1.630 1.00 0.00 N ATOM 920 CA MET A 56 -7.661 -12.348 2.085 1.00 0.00 C ATOM 921 C MET A 56 -7.921 -12.546 3.579 1.00 0.00 C ATOM 922 O MET A 56 -7.660 -13.623 4.115 1.00 0.00 O ATOM 923 CB MET A 56 -6.211 -12.714 1.758 1.00 0.00 C ATOM 924 CG MET A 56 -6.081 -13.924 0.845 1.00 0.00 C ATOM 925 SD MET A 56 -4.920 -15.153 1.478 1.00 0.00 S ATOM 926 CE MET A 56 -3.409 -14.193 1.540 1.00 0.00 C ATOM 0 H MET A 56 -7.324 -10.270 1.998 1.00 0.00 H new ATOM 0 HA MET A 56 -8.344 -13.009 1.552 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.727 -11.859 1.286 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.676 -12.911 2.687 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.060 -14.386 0.719 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.754 -13.596 -0.142 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.682 -14.614 0.846 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.622 -13.161 1.261 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.003 -14.219 2.551 1.00 0.00 H new ATOM 936 N ASN A 57 -8.430 -11.521 4.255 1.00 0.00 N ATOM 937 CA ASN A 57 -8.705 -11.627 5.687 1.00 0.00 C ATOM 938 C ASN A 57 -7.410 -11.841 6.468 1.00 0.00 C ATOM 939 O ASN A 57 -6.633 -12.747 6.165 1.00 0.00 O ATOM 940 CB ASN A 57 -9.675 -12.779 5.960 1.00 0.00 C ATOM 941 CG ASN A 57 -10.654 -12.459 7.073 1.00 0.00 C ATOM 942 OD1 ASN A 57 -11.684 -11.826 6.846 1.00 0.00 O ATOM 943 ND2 ASN A 57 -10.333 -12.896 8.286 1.00 0.00 N ATOM 0 H ASN A 57 -8.659 -10.617 3.842 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.162 -10.694 6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.227 -13.009 5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.109 -13.672 6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.952 -12.710 9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.468 -13.417 8.428 1.00 0.00 H new ATOM 950 N LYS A 58 -7.179 -10.999 7.471 1.00 0.00 N ATOM 951 CA LYS A 58 -5.973 -11.091 8.291 1.00 0.00 C ATOM 952 C LYS A 58 -4.728 -11.182 7.415 1.00 0.00 C ATOM 953 O LYS A 58 -4.260 -12.273 7.089 1.00 0.00 O ATOM 954 CB LYS A 58 -6.048 -12.301 9.226 1.00 0.00 C ATOM 955 CG LYS A 58 -7.086 -12.168 10.336 1.00 0.00 C ATOM 956 CD LYS A 58 -7.100 -10.773 10.950 1.00 0.00 C ATOM 957 CE LYS A 58 -5.698 -10.288 11.296 1.00 0.00 C ATOM 958 NZ LYS A 58 -5.606 -9.811 12.704 1.00 0.00 N ATOM 0 H LYS A 58 -7.811 -10.244 7.737 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.906 -10.186 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.275 -13.189 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.068 -12.459 9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.074 -12.397 9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.879 -12.903 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.564 -10.075 10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.714 -10.779 11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.985 -11.098 11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.416 -9.481 10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.636 -9.490 12.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.268 -9.021 12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.850 -10.588 13.350 1.00 0.00 H new ATOM 972 N LEU A 59 -4.212 -10.024 7.022 1.00 0.00 N ATOM 973 CA LEU A 59 -3.037 -9.952 6.168 1.00 0.00 C ATOM 974 C LEU A 59 -1.893 -9.205 6.846 1.00 0.00 C ATOM 975 O LEU A 59 -2.115 -8.312 7.663 1.00 0.00 O ATOM 976 CB LEU A 59 -3.393 -9.303 4.836 1.00 0.00 C ATOM 977 CG LEU A 59 -3.824 -10.290 3.750 1.00 0.00 C ATOM 978 CD1 LEU A 59 -2.703 -11.271 3.446 1.00 0.00 C ATOM 979 CD2 LEU A 59 -5.084 -11.035 4.177 1.00 0.00 C ATOM 0 H LEU A 59 -4.594 -9.116 7.285 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.694 -10.970 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.197 -8.585 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.531 -8.740 4.478 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.045 -9.729 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.028 -11.966 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.826 -10.725 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.451 -11.827 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.377 -11.733 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.887 -11.585 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.889 -10.320 4.346 1.00 0.00 H new ATOM 991 N TYR A 60 -0.671 -9.604 6.516 1.00 0.00 N ATOM 992 CA TYR A 60 0.527 -9.012 7.100 1.00 0.00 C ATOM 993 C TYR A 60 0.930 -7.723 6.389 1.00 0.00 C ATOM 994 O TYR A 60 0.512 -7.459 5.267 1.00 0.00 O ATOM 995 CB TYR A 60 1.677 -10.011 7.009 1.00 0.00 C ATOM 996 CG TYR A 60 1.574 -11.147 7.998 1.00 0.00 C ATOM 997 CD1 TYR A 60 0.613 -12.136 7.839 1.00 0.00 C ATOM 998 CD2 TYR A 60 2.432 -11.232 9.086 1.00 0.00 C ATOM 999 CE1 TYR A 60 0.511 -13.181 8.737 1.00 0.00 C ATOM 1000 CE2 TYR A 60 2.336 -12.274 9.989 1.00 0.00 C ATOM 1001 CZ TYR A 60 1.374 -13.245 9.811 1.00 0.00 C ATOM 1002 OH TYR A 60 1.275 -14.284 10.707 1.00 0.00 O ATOM 0 H TYR A 60 -0.482 -10.344 5.839 1.00 0.00 H new ATOM 0 HA TYR A 60 0.307 -8.769 8.140 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.711 -10.422 6.000 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.618 -9.484 7.171 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.066 -12.088 7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.186 -10.472 9.229 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.241 -13.944 8.599 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.011 -12.327 10.830 1.00 0.00 H new ATOM 0 HH TYR A 60 1.957 -14.181 11.404 1.00 0.00 H new ATOM 1012 N ASP A 61 1.743 -6.917 7.060 1.00 0.00 N ATOM 1013 CA ASP A 61 2.202 -5.653 6.495 1.00 0.00 C ATOM 1014 C ASP A 61 3.010 -5.873 5.217 1.00 0.00 C ATOM 1015 O ASP A 61 3.216 -4.941 4.439 1.00 0.00 O ATOM 1016 CB ASP A 61 3.046 -4.892 7.519 1.00 0.00 C ATOM 1017 CG ASP A 61 4.106 -5.767 8.160 1.00 0.00 C ATOM 1018 OD1 ASP A 61 4.640 -6.657 7.466 1.00 0.00 O ATOM 1019 OD2 ASP A 61 4.399 -5.563 9.357 1.00 0.00 O ATOM 0 H ASP A 61 2.098 -7.115 7.995 1.00 0.00 H new ATOM 0 HA ASP A 61 1.321 -5.063 6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.526 -4.043 7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.395 -4.488 8.294 1.00 0.00 H new ATOM 1024 N LYS A 62 3.473 -7.105 5.002 1.00 0.00 N ATOM 1025 CA LYS A 62 4.262 -7.422 3.815 1.00 0.00 C ATOM 1026 C LYS A 62 3.721 -8.654 3.094 1.00 0.00 C ATOM 1027 O LYS A 62 4.274 -9.748 3.213 1.00 0.00 O ATOM 1028 CB LYS A 62 5.727 -7.643 4.201 1.00 0.00 C ATOM 1029 CG LYS A 62 6.622 -6.452 3.900 1.00 0.00 C ATOM 1030 CD LYS A 62 7.534 -6.127 5.072 1.00 0.00 C ATOM 1031 CE LYS A 62 6.933 -5.053 5.964 1.00 0.00 C ATOM 1032 NZ LYS A 62 7.349 -3.686 5.545 1.00 0.00 N ATOM 0 H LYS A 62 3.316 -7.893 5.630 1.00 0.00 H new ATOM 0 HA LYS A 62 4.190 -6.576 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.783 -7.869 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.106 -8.516 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.225 -6.663 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.006 -5.584 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.712 -7.029 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.502 -5.792 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.846 -5.126 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.239 -5.225 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.918 -2.983 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.385 -3.608 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.035 -3.511 4.569 1.00 0.00 H new ATOM 1046 N ILE A 63 2.644 -8.469 2.335 1.00 0.00 N ATOM 1047 CA ILE A 63 2.037 -9.560 1.584 1.00 0.00 C ATOM 1048 C ILE A 63 2.960 -10.014 0.450 1.00 0.00 C ATOM 1049 O ILE A 63 3.532 -9.187 -0.259 1.00 0.00 O ATOM 1050 CB ILE A 63 0.656 -9.144 1.016 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -0.458 -9.522 1.996 1.00 0.00 C ATOM 1052 CG2 ILE A 63 0.392 -9.788 -0.340 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -0.217 -9.045 3.413 1.00 0.00 C ATOM 0 H ILE A 63 2.174 -7.571 2.225 1.00 0.00 H new ATOM 0 HA ILE A 63 1.888 -10.395 2.269 1.00 0.00 H new ATOM 0 HB ILE A 63 0.667 -8.062 0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.400 -9.106 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.571 -10.606 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.585 -9.474 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.162 -9.478 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.409 -10.873 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.049 -9.351 4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.707 -9.482 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.135 -7.958 3.422 1.00 0.00 H new ATOM 1065 N PRO A 64 3.116 -11.338 0.261 1.00 0.00 N ATOM 1066 CA PRO A 64 3.974 -11.888 -0.797 1.00 0.00 C ATOM 1067 C PRO A 64 3.551 -11.417 -2.186 1.00 0.00 C ATOM 1068 O PRO A 64 2.892 -10.388 -2.329 1.00 0.00 O ATOM 1069 CB PRO A 64 3.791 -13.404 -0.666 1.00 0.00 C ATOM 1070 CG PRO A 64 3.295 -13.614 0.723 1.00 0.00 C ATOM 1071 CD PRO A 64 2.472 -12.403 1.052 1.00 0.00 C ATOM 0 HA PRO A 64 5.009 -11.565 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.079 -13.780 -1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.730 -13.931 -0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.697 -14.523 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.124 -13.725 1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.427 -12.537 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.490 -12.180 2.119 1.00 0.00 H new ATOM 1079 N SER A 65 3.937 -12.176 -3.208 1.00 0.00 N ATOM 1080 CA SER A 65 3.598 -11.833 -4.584 1.00 0.00 C ATOM 1081 C SER A 65 2.397 -12.641 -5.070 1.00 0.00 C ATOM 1082 O SER A 65 1.585 -12.151 -5.854 1.00 0.00 O ATOM 1083 CB SER A 65 4.796 -12.077 -5.502 1.00 0.00 C ATOM 1084 OG SER A 65 4.708 -11.288 -6.677 1.00 0.00 O ATOM 0 H SER A 65 4.484 -13.031 -3.109 1.00 0.00 H new ATOM 0 HA SER A 65 3.335 -10.776 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.719 -11.842 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.843 -13.132 -5.771 1.00 0.00 H new ATOM 0 HG SER A 65 5.487 -11.461 -7.246 1.00 0.00 H new ATOM 1090 N SER A 66 2.293 -13.880 -4.601 1.00 0.00 N ATOM 1091 CA SER A 66 1.192 -14.753 -4.990 1.00 0.00 C ATOM 1092 C SER A 66 -0.152 -14.146 -4.596 1.00 0.00 C ATOM 1093 O SER A 66 -1.091 -14.123 -5.392 1.00 0.00 O ATOM 1094 CB SER A 66 1.352 -16.129 -4.342 1.00 0.00 C ATOM 1095 OG SER A 66 2.122 -16.992 -5.160 1.00 0.00 O ATOM 0 H SER A 66 2.957 -14.302 -3.952 1.00 0.00 H new ATOM 0 HA SER A 66 1.216 -14.864 -6.074 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.831 -16.022 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.370 -16.569 -4.168 1.00 0.00 H new ATOM 0 HG SER A 66 2.211 -17.864 -4.722 1.00 0.00 H new ATOM 1101 N VAL A 67 -0.234 -13.654 -3.365 1.00 0.00 N ATOM 1102 CA VAL A 67 -1.460 -13.045 -2.865 1.00 0.00 C ATOM 1103 C VAL A 67 -1.843 -11.824 -3.695 1.00 0.00 C ATOM 1104 O VAL A 67 -3.002 -11.655 -4.073 1.00 0.00 O ATOM 1105 CB VAL A 67 -1.315 -12.622 -1.391 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -2.654 -12.169 -0.828 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -0.738 -13.760 -0.563 1.00 0.00 C ATOM 0 H VAL A 67 0.535 -13.665 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.244 -13.798 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.624 -11.780 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.530 -11.875 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.022 -11.320 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.371 -12.988 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.643 -13.443 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.401 -14.623 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.244 -14.031 -0.951 1.00 0.00 H new ATOM 1117 N TRP A 68 -0.858 -10.978 -3.975 1.00 0.00 N ATOM 1118 CA TRP A 68 -1.083 -9.769 -4.760 1.00 0.00 C ATOM 1119 C TRP A 68 -1.452 -10.109 -6.201 1.00 0.00 C ATOM 1120 O TRP A 68 -2.094 -9.318 -6.889 1.00 0.00 O ATOM 1121 CB TRP A 68 0.150 -8.866 -4.712 1.00 0.00 C ATOM 1122 CG TRP A 68 -0.038 -7.664 -3.832 1.00 0.00 C ATOM 1123 CD1 TRP A 68 0.620 -6.472 -3.925 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -0.948 -7.536 -2.727 1.00 0.00 C ATOM 1125 NE1 TRP A 68 0.175 -5.610 -2.951 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -0.786 -6.239 -2.205 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -1.885 -8.388 -2.130 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -1.525 -5.776 -1.119 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -2.615 -7.926 -1.053 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -2.432 -6.630 -0.557 1.00 0.00 C ATOM 0 H TRP A 68 0.107 -11.107 -3.669 1.00 0.00 H new ATOM 0 HA TRP A 68 -1.923 -9.230 -4.322 1.00 0.00 H new ATOM 0 HB2 TRP A 68 1.002 -9.443 -4.353 1.00 0.00 H new ATOM 0 HB3 TRP A 68 0.391 -8.536 -5.722 1.00 0.00 H new ATOM 0 HD1 TRP A 68 1.379 -6.240 -4.657 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.507 -4.656 -2.807 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -2.034 -9.390 -2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.386 -4.776 -0.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -3.340 -8.576 -0.585 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -3.019 -6.298 0.287 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.058 -11.292 -6.652 1.00 0.00 N ATOM 1142 CA LYS A 69 -1.377 -11.722 -8.005 1.00 0.00 C ATOM 1143 C LYS A 69 -2.860 -12.071 -8.107 1.00 0.00 C ATOM 1144 O LYS A 69 -3.467 -11.954 -9.172 1.00 0.00 O ATOM 1145 CB LYS A 69 -0.524 -12.931 -8.395 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.383 -13.117 -9.898 1.00 0.00 C ATOM 1147 CD LYS A 69 -1.335 -14.182 -10.421 1.00 0.00 C ATOM 1148 CE LYS A 69 -0.659 -15.082 -11.444 1.00 0.00 C ATOM 1149 NZ LYS A 69 -1.563 -15.407 -12.581 1.00 0.00 N ATOM 0 H LYS A 69 -0.521 -11.966 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.157 -10.905 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.468 -12.822 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.966 -13.830 -7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.581 -12.171 -10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.643 -13.397 -10.136 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.700 -14.785 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.204 -13.704 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.238 -14.592 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.338 -16.005 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.065 -16.022 -13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.408 -15.898 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.849 -14.529 -13.059 1.00 0.00 H new ATOM 1163 N PHE A 70 -3.435 -12.503 -6.986 1.00 0.00 N ATOM 1164 CA PHE A 70 -4.845 -12.876 -6.931 1.00 0.00 C ATOM 1165 C PHE A 70 -5.757 -11.648 -6.903 1.00 0.00 C ATOM 1166 O PHE A 70 -6.713 -11.563 -7.675 1.00 0.00 O ATOM 1167 CB PHE A 70 -5.111 -13.743 -5.699 1.00 0.00 C ATOM 1168 CG PHE A 70 -6.303 -14.645 -5.846 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -6.372 -15.563 -6.881 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -7.354 -14.576 -4.946 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -7.466 -16.394 -7.018 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -8.452 -15.406 -5.077 1.00 0.00 C ATOM 1173 CZ PHE A 70 -8.508 -16.316 -6.114 1.00 0.00 C ATOM 0 H PHE A 70 -2.941 -12.603 -6.099 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.071 -13.441 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.229 -14.350 -5.495 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.260 -13.096 -4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.560 -15.630 -7.590 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.315 -13.866 -4.133 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.507 -17.104 -7.831 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.265 -15.343 -4.369 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.365 -16.965 -6.218 1.00 0.00 H new ATOM 1183 N ILE A 71 -5.468 -10.709 -6.000 1.00 0.00 N ATOM 1184 CA ILE A 71 -6.277 -9.493 -5.862 1.00 0.00 C ATOM 1185 C ILE A 71 -6.654 -8.907 -7.220 1.00 0.00 C ATOM 1186 O ILE A 71 -5.791 -8.650 -8.060 1.00 0.00 O ATOM 1187 CB ILE A 71 -5.555 -8.407 -5.039 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -4.103 -8.289 -5.481 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -5.638 -8.718 -3.552 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -3.322 -7.229 -4.734 1.00 0.00 C ATOM 0 H ILE A 71 -4.681 -10.766 -5.353 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.182 -9.797 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.050 -7.452 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.612 -9.253 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.074 -8.064 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.123 -7.940 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.683 -8.756 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.167 -9.681 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.297 -7.204 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.788 -6.256 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.318 -7.463 -3.669 1.00 0.00 H new ATOM 1202 N ARG A 72 -7.951 -8.699 -7.426 1.00 0.00 N ATOM 1203 CA ARG A 72 -8.450 -8.144 -8.680 1.00 0.00 C ATOM 1204 C ARG A 72 -8.234 -6.634 -8.730 1.00 0.00 C ATOM 1205 O ARG A 72 -7.841 -6.129 -9.801 1.00 0.00 O ATOM 1206 CB ARG A 72 -9.936 -8.465 -8.848 1.00 0.00 C ATOM 1207 CG ARG A 72 -10.252 -9.950 -8.748 1.00 0.00 C ATOM 1208 CD ARG A 72 -11.535 -10.196 -7.969 1.00 0.00 C ATOM 1209 NE ARG A 72 -11.926 -11.604 -7.989 1.00 0.00 N ATOM 1210 CZ ARG A 72 -12.802 -12.142 -7.142 1.00 0.00 C ATOM 1211 NH1 ARG A 72 -13.378 -11.396 -6.209 1.00 0.00 N ATOM 1212 NH2 ARG A 72 -13.101 -13.431 -7.230 1.00 0.00 N ATOM 1213 OXT ARG A 72 -8.461 -5.971 -7.696 1.00 0.00 O ATOM 0 H ARG A 72 -8.676 -8.907 -6.740 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.893 -8.600 -9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.503 -7.929 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.272 -8.095 -9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.347 -10.371 -9.749 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.425 -10.467 -8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.400 -9.872 -6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.337 -9.591 -8.391 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.504 -12.210 -8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.151 -10.404 -6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.048 -11.814 -5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.660 -14.009 -7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.772 -13.844 -6.582 1.00 0.00 H new TER 1227 ARG A 72