USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 560 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 44 TYR OH : rot 180:sc= 0.728 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 171:sc= 0.835 (180deg=-0.0443) USER MOD Set 1.3: A 57 MET CE :methyl 168:sc= -1.61 (180deg=-2.39) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -150:sc= 1.19 (180deg=-0.00373) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= 0.431 USER MOD Set 3.1: A 10 CYS SG : rot -136:sc= 0.186 USER MOD Set 3.2: A 14 HIS : no HD1:sc= -0.417 K(o=-0.23,f=-1.3) USER MOD Single : A 7 TYR OH : rot 151:sc= 1.31 USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= -0.168 (180deg=-0.181) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.309 USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 1.42 (180deg=1.14) USER MOD Single : A 23 MET CE :methyl -178:sc= -0.0762 (180deg=-0.118) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0.345 (180deg=0.253) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0.369 (180deg=0.369) USER MOD Single : A 32 GLN : amide:sc= 1.18 K(o=1.2,f=-0.54) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.11) USER MOD Single : A 41 MET CE :methyl 149:sc= -1.35 (180deg=-4.4!) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.058) USER MOD Single : A 48 SER OG : rot 180:sc= 0.206 USER MOD Single : A 56 MET CE :methyl 177:sc= 0 (180deg=-0.00813) USER MOD Single : A 58 THR OG1 : rot -70:sc= 1.09 USER MOD Single : A 59 ASN : amide:sc= 0.158 X(o=0.16,f=-0.049) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0379) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00585 USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= -0.0471 (180deg=-0.825) USER MOD Single : A 75 TYR OH : rot 146:sc= 0.535 USER MOD Single : A 76 MET CE :methyl -126:sc= -0.344 (180deg=-0.695) USER MOD Single : A 77 SER OG : rot -40:sc= 0.623 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.592 (180deg=0.58) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 2.609 -9.917 -3.688 1.00 0.00 N ATOM 26 CA GLY A 3 2.742 -8.469 -3.590 1.00 0.00 C ATOM 27 C GLY A 3 3.618 -7.823 -4.669 1.00 0.00 C ATOM 28 O GLY A 3 3.209 -6.844 -5.284 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.748 -8.024 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.156 -8.223 -2.612 1.00 0.00 H new ATOM 32 N ALA A 4 4.814 -8.360 -4.912 1.00 0.00 N ATOM 33 CA ALA A 4 5.805 -7.835 -5.848 1.00 0.00 C ATOM 34 C ALA A 4 5.203 -7.386 -7.182 1.00 0.00 C ATOM 35 O ALA A 4 5.526 -6.312 -7.683 1.00 0.00 O ATOM 36 CB ALA A 4 6.900 -8.883 -6.069 1.00 0.00 C ATOM 0 H ALA A 4 5.131 -9.208 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 4 6.232 -6.938 -5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.641 -8.493 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.382 -9.111 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.457 -9.791 -6.479 1.00 0.00 H new ATOM 42 N ALA A 5 4.327 -8.212 -7.760 1.00 0.00 N ATOM 43 CA ALA A 5 3.660 -7.892 -9.014 1.00 0.00 C ATOM 44 C ALA A 5 2.914 -6.559 -8.905 1.00 0.00 C ATOM 45 O ALA A 5 3.103 -5.662 -9.721 1.00 0.00 O ATOM 46 CB ALA A 5 2.716 -9.035 -9.398 1.00 0.00 C ATOM 0 H ALA A 5 4.064 -9.117 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 5 4.406 -7.781 -9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.217 -8.795 -10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.288 -9.955 -9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.970 -9.170 -8.615 1.00 0.00 H new ATOM 52 N LEU A 6 2.073 -6.427 -7.878 1.00 0.00 N ATOM 53 CA LEU A 6 1.272 -5.268 -7.598 1.00 0.00 C ATOM 54 C LEU A 6 2.171 -4.068 -7.293 1.00 0.00 C ATOM 55 O LEU A 6 1.901 -2.952 -7.735 1.00 0.00 O ATOM 56 CB LEU A 6 0.396 -5.651 -6.405 1.00 0.00 C ATOM 57 CG LEU A 6 -0.843 -6.456 -6.825 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.528 -7.860 -7.358 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.791 -6.602 -5.634 1.00 0.00 C ATOM 0 H LEU A 6 1.936 -7.171 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 6 0.654 -4.973 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.984 -6.236 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.080 -4.747 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.297 -5.893 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.456 -8.362 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.115 -7.781 -8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.018 -8.436 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.669 -7.174 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.280 -7.122 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.101 -5.614 -5.292 1.00 0.00 H new ATOM 71 N TYR A 7 3.259 -4.310 -6.554 1.00 0.00 N ATOM 72 CA TYR A 7 4.223 -3.292 -6.151 1.00 0.00 C ATOM 73 C TYR A 7 4.764 -2.467 -7.335 1.00 0.00 C ATOM 74 O TYR A 7 5.217 -1.333 -7.156 1.00 0.00 O ATOM 75 CB TYR A 7 5.339 -3.921 -5.305 1.00 0.00 C ATOM 76 CG TYR A 7 6.042 -2.927 -4.401 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.325 -2.305 -3.360 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.393 -2.593 -4.610 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.918 -1.273 -2.614 1.00 0.00 C ATOM 80 CE2 TYR A 7 8.000 -1.596 -3.826 1.00 0.00 C ATOM 81 CZ TYR A 7 7.241 -0.889 -2.878 1.00 0.00 C ATOM 82 OH TYR A 7 7.751 0.210 -2.261 1.00 0.00 O ATOM 0 H TYR A 7 3.495 -5.242 -6.214 1.00 0.00 H new ATOM 0 HA TYR A 7 3.696 -2.569 -5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.916 -4.720 -4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 7 6.072 -4.380 -5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.317 -2.622 -3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.964 -3.102 -5.372 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.356 -0.776 -1.838 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.049 -1.374 -3.952 1.00 0.00 H new ATOM 0 HH TYR A 7 8.720 0.108 -2.159 1.00 0.00 H new ATOM 92 N LYS A 8 4.705 -3.010 -8.557 1.00 0.00 N ATOM 93 CA LYS A 8 5.090 -2.278 -9.756 1.00 0.00 C ATOM 94 C LYS A 8 4.288 -0.973 -9.878 1.00 0.00 C ATOM 95 O LYS A 8 4.817 0.028 -10.351 1.00 0.00 O ATOM 96 CB LYS A 8 4.923 -3.165 -10.994 1.00 0.00 C ATOM 97 CG LYS A 8 5.904 -4.344 -10.949 1.00 0.00 C ATOM 98 CD LYS A 8 5.739 -5.227 -12.192 1.00 0.00 C ATOM 99 CE LYS A 8 6.861 -6.268 -12.292 1.00 0.00 C ATOM 100 NZ LYS A 8 6.872 -7.185 -11.139 1.00 0.00 N ATOM 0 H LYS A 8 4.390 -3.964 -8.735 1.00 0.00 H new ATOM 0 HA LYS A 8 6.143 -2.005 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.900 -3.538 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.094 -2.577 -11.896 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.927 -3.972 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.730 -4.935 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.774 -5.732 -12.156 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.739 -4.603 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.741 -6.843 -13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.822 -5.759 -12.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.677 -7.839 -11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.962 -6.636 -10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.985 -7.728 -11.119 1.00 0.00 H new ATOM 114 N SER A 9 3.032 -0.955 -9.416 1.00 0.00 N ATOM 115 CA SER A 9 2.185 0.235 -9.407 1.00 0.00 C ATOM 116 C SER A 9 2.255 0.925 -8.037 1.00 0.00 C ATOM 117 O SER A 9 1.246 1.418 -7.537 1.00 0.00 O ATOM 118 CB SER A 9 0.749 -0.184 -9.741 1.00 0.00 C ATOM 119 OG SER A 9 0.733 -0.947 -10.934 1.00 0.00 O ATOM 0 H SER A 9 2.572 -1.781 -9.033 1.00 0.00 H new ATOM 0 HA SER A 9 2.533 0.949 -10.154 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.331 -0.768 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.121 0.699 -9.856 1.00 0.00 H new ATOM 0 HG SER A 9 -0.188 -1.213 -11.140 1.00 0.00 H new ATOM 125 N CYS A 10 3.442 0.934 -7.426 1.00 0.00 N ATOM 126 CA CYS A 10 3.712 1.434 -6.081 1.00 0.00 C ATOM 127 C CYS A 10 5.066 2.135 -6.046 1.00 0.00 C ATOM 128 O CYS A 10 5.215 3.230 -5.483 1.00 0.00 O ATOM 129 CB CYS A 10 3.713 0.219 -5.162 1.00 0.00 C ATOM 130 SG CYS A 10 2.898 0.356 -3.593 1.00 0.00 S ATOM 0 H CYS A 10 4.281 0.574 -7.881 1.00 0.00 H new ATOM 0 HA CYS A 10 2.962 2.159 -5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.256 -0.609 -5.704 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.751 -0.057 -4.975 1.00 0.00 H new ATOM 0 HG CYS A 10 3.639 -0.182 -2.671 1.00 0.00 H new ATOM 135 N ILE A 11 6.070 1.480 -6.646 1.00 0.00 N ATOM 136 CA ILE A 11 7.366 2.106 -6.851 1.00 0.00 C ATOM 137 C ILE A 11 7.110 3.444 -7.551 1.00 0.00 C ATOM 138 O ILE A 11 6.229 3.545 -8.402 1.00 0.00 O ATOM 139 CB ILE A 11 8.332 1.207 -7.642 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.769 0.786 -9.011 1.00 0.00 C ATOM 141 CG2 ILE A 11 8.699 -0.022 -6.802 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.766 -0.022 -9.846 1.00 0.00 C ATOM 0 H ILE A 11 6.002 0.523 -6.993 1.00 0.00 H new ATOM 0 HA ILE A 11 7.862 2.269 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 11 9.229 1.791 -7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.866 0.194 -8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.476 1.677 -9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.383 -0.657 -7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.180 0.299 -5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.795 -0.584 -6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.310 -0.289 -10.799 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.659 0.576 -10.026 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.040 -0.930 -9.308 1.00 0.00 H new ATOM 154 N GLY A 12 7.835 4.484 -7.146 1.00 0.00 N ATOM 155 CA GLY A 12 7.592 5.834 -7.623 1.00 0.00 C ATOM 156 C GLY A 12 7.027 6.652 -6.469 1.00 0.00 C ATOM 157 O GLY A 12 7.492 7.768 -6.250 1.00 0.00 O ATOM 0 H GLY A 12 8.604 4.410 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.517 6.280 -7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.892 5.822 -8.459 1.00 0.00 H new ATOM 161 N CYS A 13 6.065 6.109 -5.704 1.00 0.00 N ATOM 162 CA CYS A 13 5.557 6.817 -4.533 1.00 0.00 C ATOM 163 C CYS A 13 6.292 6.287 -3.312 1.00 0.00 C ATOM 164 O CYS A 13 6.747 7.060 -2.476 1.00 0.00 O ATOM 165 CB CYS A 13 4.043 6.661 -4.382 1.00 0.00 C ATOM 166 SG CYS A 13 3.074 7.773 -5.443 1.00 0.00 S ATOM 0 H CYS A 13 5.635 5.200 -5.876 1.00 0.00 H new ATOM 0 HA CYS A 13 5.738 7.886 -4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.770 5.630 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.772 6.841 -3.342 1.00 0.00 H new ATOM 0 HG CYS A 13 1.806 7.565 -5.246 1.00 0.00 H new ATOM 171 N HIS A 14 6.424 4.962 -3.222 1.00 0.00 N ATOM 172 CA HIS A 14 7.097 4.301 -2.110 1.00 0.00 C ATOM 173 C HIS A 14 8.576 4.045 -2.411 1.00 0.00 C ATOM 174 O HIS A 14 9.425 4.137 -1.518 1.00 0.00 O ATOM 175 CB HIS A 14 6.312 3.036 -1.788 1.00 0.00 C ATOM 176 CG HIS A 14 4.982 3.386 -1.189 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.885 3.851 0.107 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.721 3.521 -1.715 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.592 4.076 0.352 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.807 3.828 -0.697 1.00 0.00 N ATOM 0 H HIS A 14 6.064 4.316 -3.925 1.00 0.00 H new ATOM 0 HA HIS A 14 7.110 4.943 -1.229 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.167 2.449 -2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.879 2.415 -1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.470 3.407 -2.759 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.219 4.424 1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.789 3.855 -0.747 1.00 0.00 H new ATOM 188 N GLY A 15 8.892 3.799 -3.683 1.00 0.00 N ATOM 189 CA GLY A 15 10.252 3.574 -4.148 1.00 0.00 C ATOM 190 C GLY A 15 10.641 2.098 -4.086 1.00 0.00 C ATOM 191 O GLY A 15 9.894 1.274 -3.562 1.00 0.00 O ATOM 0 H GLY A 15 8.196 3.751 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.348 3.932 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.944 4.157 -3.540 1.00 0.00 H new ATOM 195 N ALA A 16 11.822 1.787 -4.637 1.00 0.00 N ATOM 196 CA ALA A 16 12.384 0.441 -4.732 1.00 0.00 C ATOM 197 C ALA A 16 12.220 -0.346 -3.432 1.00 0.00 C ATOM 198 O ALA A 16 11.808 -1.502 -3.462 1.00 0.00 O ATOM 199 CB ALA A 16 13.859 0.529 -5.132 1.00 0.00 C ATOM 0 H ALA A 16 12.432 2.496 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 16 11.831 -0.102 -5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.277 -0.475 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.945 1.027 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.406 1.098 -4.381 1.00 0.00 H new ATOM 205 N ASP A 17 12.571 0.282 -2.305 1.00 0.00 N ATOM 206 CA ASP A 17 12.367 -0.296 -0.990 1.00 0.00 C ATOM 207 C ASP A 17 10.904 -0.002 -0.665 1.00 0.00 C ATOM 208 O ASP A 17 10.017 -0.670 -1.185 1.00 0.00 O ATOM 209 CB ASP A 17 13.359 0.310 0.015 1.00 0.00 C ATOM 210 CG ASP A 17 14.799 -0.090 -0.292 1.00 0.00 C ATOM 211 OD1 ASP A 17 15.378 0.546 -1.200 1.00 0.00 O ATOM 212 OD2 ASP A 17 15.300 -1.007 0.393 1.00 0.00 O ATOM 0 H ASP A 17 13.004 1.205 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 17 12.554 -1.369 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.273 1.396 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.099 -0.015 1.022 1.00 0.00 H new ATOM 217 N GLY A 18 10.637 1.041 0.121 1.00 0.00 N ATOM 218 CA GLY A 18 9.277 1.450 0.425 1.00 0.00 C ATOM 219 C GLY A 18 9.276 2.573 1.456 1.00 0.00 C ATOM 220 O GLY A 18 8.675 2.447 2.527 1.00 0.00 O ATOM 0 H GLY A 18 11.355 1.618 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.779 1.784 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.711 0.599 0.804 1.00 0.00 H new ATOM 224 N SER A 19 9.971 3.673 1.156 1.00 0.00 N ATOM 225 CA SER A 19 10.169 4.746 2.111 1.00 0.00 C ATOM 226 C SER A 19 10.383 6.140 1.516 1.00 0.00 C ATOM 227 O SER A 19 10.627 7.060 2.294 1.00 0.00 O ATOM 228 CB SER A 19 11.390 4.376 2.954 1.00 0.00 C ATOM 229 OG SER A 19 11.271 3.073 3.492 1.00 0.00 O ATOM 0 H SER A 19 10.406 3.837 0.248 1.00 0.00 H new ATOM 0 HA SER A 19 9.245 4.828 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.289 4.437 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.507 5.096 3.764 1.00 0.00 H new ATOM 0 HG SER A 19 12.067 2.865 4.024 1.00 0.00 H new ATOM 235 N LYS A 20 10.345 6.335 0.192 1.00 0.00 N ATOM 236 CA LYS A 20 10.557 7.689 -0.320 1.00 0.00 C ATOM 237 C LYS A 20 9.326 8.562 -0.051 1.00 0.00 C ATOM 238 O LYS A 20 8.264 8.060 0.314 1.00 0.00 O ATOM 239 CB LYS A 20 10.973 7.689 -1.800 1.00 0.00 C ATOM 240 CG LYS A 20 9.814 7.431 -2.767 1.00 0.00 C ATOM 241 CD LYS A 20 10.270 7.436 -4.231 1.00 0.00 C ATOM 242 CE LYS A 20 10.477 8.853 -4.785 1.00 0.00 C ATOM 243 NZ LYS A 20 9.220 9.624 -4.819 1.00 0.00 N ATOM 0 H LYS A 20 10.179 5.614 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 20 11.395 8.129 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.427 8.650 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.738 6.928 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.356 6.470 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.047 8.193 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.202 6.877 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.529 6.918 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.208 9.379 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.892 8.792 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.358 10.489 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.470 9.047 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.944 9.881 -3.850 1.00 0.00 H new ATOM 257 N ALA A 21 9.469 9.877 -0.234 1.00 0.00 N ATOM 258 CA ALA A 21 8.346 10.791 -0.108 1.00 0.00 C ATOM 259 C ALA A 21 7.374 10.480 -1.246 1.00 0.00 C ATOM 260 O ALA A 21 7.780 10.472 -2.409 1.00 0.00 O ATOM 261 CB ALA A 21 8.838 12.239 -0.180 1.00 0.00 C ATOM 0 H ALA A 21 10.354 10.326 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 21 7.845 10.667 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.990 12.917 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.543 12.424 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.332 12.408 -1.137 1.00 0.00 H new ATOM 267 N ALA A 22 6.116 10.193 -0.909 1.00 0.00 N ATOM 268 CA ALA A 22 5.087 9.863 -1.880 1.00 0.00 C ATOM 269 C ALA A 22 4.422 11.160 -2.346 1.00 0.00 C ATOM 270 O ALA A 22 5.108 12.137 -2.643 1.00 0.00 O ATOM 271 CB ALA A 22 4.121 8.857 -1.242 1.00 0.00 C ATOM 0 H ALA A 22 5.786 10.185 0.056 1.00 0.00 H new ATOM 0 HA ALA A 22 5.494 9.385 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.341 8.598 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.667 7.957 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.667 9.300 -0.355 1.00 0.00 H new ATOM 277 N MET A 23 3.087 11.198 -2.392 1.00 0.00 N ATOM 278 CA MET A 23 2.328 12.389 -2.752 1.00 0.00 C ATOM 279 C MET A 23 2.318 13.342 -1.549 1.00 0.00 C ATOM 280 O MET A 23 1.272 13.638 -0.974 1.00 0.00 O ATOM 281 CB MET A 23 0.933 11.994 -3.272 1.00 0.00 C ATOM 282 CG MET A 23 0.103 11.102 -2.329 1.00 0.00 C ATOM 283 SD MET A 23 -1.529 10.542 -2.896 1.00 0.00 S ATOM 284 CE MET A 23 -1.820 11.558 -4.365 1.00 0.00 C ATOM 0 H MET A 23 2.501 10.391 -2.177 1.00 0.00 H new ATOM 0 HA MET A 23 2.794 12.928 -3.577 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.368 12.904 -3.474 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.052 11.475 -4.223 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.697 10.218 -2.098 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.037 11.645 -1.394 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.803 11.329 -4.777 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.777 12.612 -4.092 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.055 11.345 -5.112 1.00 0.00 H new ATOM 294 N GLY A 24 3.505 13.815 -1.169 1.00 0.00 N ATOM 295 CA GLY A 24 3.746 14.619 0.015 1.00 0.00 C ATOM 296 C GLY A 24 4.253 13.705 1.133 1.00 0.00 C ATOM 297 O GLY A 24 4.575 12.538 0.899 1.00 0.00 O ATOM 0 H GLY A 24 4.355 13.638 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.479 15.397 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.829 15.121 0.324 1.00 0.00 H new ATOM 301 N SER A 25 4.330 14.235 2.356 1.00 0.00 N ATOM 302 CA SER A 25 4.777 13.505 3.531 1.00 0.00 C ATOM 303 C SER A 25 3.971 12.215 3.711 1.00 0.00 C ATOM 304 O SER A 25 2.744 12.240 3.598 1.00 0.00 O ATOM 305 CB SER A 25 4.607 14.427 4.741 1.00 0.00 C ATOM 306 OG SER A 25 5.066 15.725 4.403 1.00 0.00 O ATOM 0 H SER A 25 4.077 15.203 2.555 1.00 0.00 H new ATOM 0 HA SER A 25 5.822 13.215 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.560 14.465 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.168 14.039 5.591 1.00 0.00 H new ATOM 0 HG SER A 25 4.958 16.321 5.173 1.00 0.00 H new ATOM 312 N ALA A 26 4.648 11.097 3.991 1.00 0.00 N ATOM 313 CA ALA A 26 4.006 9.805 4.166 1.00 0.00 C ATOM 314 C ALA A 26 4.880 8.897 5.026 1.00 0.00 C ATOM 315 O ALA A 26 6.104 8.923 4.901 1.00 0.00 O ATOM 316 CB ALA A 26 3.802 9.165 2.789 1.00 0.00 C ATOM 0 H ALA A 26 5.662 11.070 4.102 1.00 0.00 H new ATOM 0 HA ALA A 26 3.045 9.940 4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.321 8.194 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.172 9.811 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.768 9.034 2.302 1.00 0.00 H new ATOM 322 N LYS A 27 4.257 8.111 5.907 1.00 0.00 N ATOM 323 CA LYS A 27 4.883 7.084 6.694 1.00 0.00 C ATOM 324 C LYS A 27 5.526 6.080 5.731 1.00 0.00 C ATOM 325 O LYS A 27 4.892 5.701 4.744 1.00 0.00 O ATOM 326 CB LYS A 27 3.742 6.384 7.436 1.00 0.00 C ATOM 327 CG LYS A 27 3.293 7.054 8.737 1.00 0.00 C ATOM 328 CD LYS A 27 4.055 6.549 9.975 1.00 0.00 C ATOM 329 CE LYS A 27 3.931 5.035 10.231 1.00 0.00 C ATOM 330 NZ LYS A 27 2.541 4.549 10.122 1.00 0.00 N ATOM 0 H LYS A 27 3.256 8.189 6.088 1.00 0.00 H new ATOM 0 HA LYS A 27 5.636 7.477 7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.884 6.317 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.051 5.363 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.430 8.132 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.227 6.879 8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.110 6.800 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.691 7.084 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.556 4.498 9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.314 4.807 11.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.491 3.563 10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.919 5.141 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.232 4.599 9.130 1.00 0.00 H new ATOM 344 N PRO A 28 6.758 5.621 5.986 1.00 0.00 N ATOM 345 CA PRO A 28 7.382 4.629 5.135 1.00 0.00 C ATOM 346 C PRO A 28 6.658 3.300 5.342 1.00 0.00 C ATOM 347 O PRO A 28 6.317 2.953 6.470 1.00 0.00 O ATOM 348 CB PRO A 28 8.841 4.576 5.594 1.00 0.00 C ATOM 349 CG PRO A 28 8.757 4.950 7.075 1.00 0.00 C ATOM 350 CD PRO A 28 7.609 5.960 7.114 1.00 0.00 C ATOM 0 HA PRO A 28 7.332 4.858 4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.271 3.585 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.464 5.276 5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.550 4.081 7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.689 5.386 7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.060 5.895 8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.981 6.981 7.032 1.00 0.00 H new ATOM 358 N VAL A 29 6.399 2.563 4.262 1.00 0.00 N ATOM 359 CA VAL A 29 5.705 1.280 4.337 1.00 0.00 C ATOM 360 C VAL A 29 6.665 0.178 4.759 1.00 0.00 C ATOM 361 O VAL A 29 6.268 -0.760 5.448 1.00 0.00 O ATOM 362 CB VAL A 29 5.064 0.884 2.997 1.00 0.00 C ATOM 363 CG1 VAL A 29 3.664 1.481 2.889 1.00 0.00 C ATOM 364 CG2 VAL A 29 5.876 1.235 1.756 1.00 0.00 C ATOM 0 H VAL A 29 6.663 2.838 3.316 1.00 0.00 H new ATOM 0 HA VAL A 29 4.914 1.399 5.078 1.00 0.00 H new ATOM 0 HB VAL A 29 5.024 -0.205 3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.219 1.195 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.045 1.108 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.726 2.568 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.336 0.914 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.032 2.313 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.841 0.730 1.798 1.00 0.00 H new ATOM 374 N LYS A 30 7.905 0.288 4.281 1.00 0.00 N ATOM 375 CA LYS A 30 8.988 -0.651 4.484 1.00 0.00 C ATOM 376 C LYS A 30 8.982 -1.248 5.894 1.00 0.00 C ATOM 377 O LYS A 30 9.515 -0.663 6.835 1.00 0.00 O ATOM 378 CB LYS A 30 10.288 0.071 4.147 1.00 0.00 C ATOM 379 CG LYS A 30 11.469 -0.898 4.064 1.00 0.00 C ATOM 380 CD LYS A 30 12.814 -0.165 4.059 1.00 0.00 C ATOM 381 CE LYS A 30 13.952 -1.144 3.733 1.00 0.00 C ATOM 382 NZ LYS A 30 13.950 -2.320 4.623 1.00 0.00 N ATOM 0 H LYS A 30 8.188 1.084 3.710 1.00 0.00 H new ATOM 0 HA LYS A 30 8.870 -1.512 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.178 0.593 3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.491 0.828 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.434 -1.585 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.381 -1.500 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.795 0.639 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.989 0.296 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.859 -1.474 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.908 -0.628 3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.735 -2.952 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.065 -2.009 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.049 -2.829 4.523 1.00 0.00 H new ATOM 396 N GLY A 31 8.355 -2.414 6.026 1.00 0.00 N ATOM 397 CA GLY A 31 8.278 -3.157 7.259 1.00 0.00 C ATOM 398 C GLY A 31 7.536 -2.461 8.409 1.00 0.00 C ATOM 399 O GLY A 31 8.023 -2.557 9.532 1.00 0.00 O ATOM 0 H GLY A 31 7.876 -2.872 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.788 -4.109 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.292 -3.384 7.589 1.00 0.00 H new ATOM 403 N GLN A 32 6.384 -1.787 8.199 1.00 0.00 N ATOM 404 CA GLN A 32 5.644 -1.235 9.356 1.00 0.00 C ATOM 405 C GLN A 32 5.308 -2.393 10.299 1.00 0.00 C ATOM 406 O GLN A 32 5.780 -2.499 11.427 1.00 0.00 O ATOM 407 CB GLN A 32 4.373 -0.422 9.005 1.00 0.00 C ATOM 408 CG GLN A 32 4.518 0.498 7.798 1.00 0.00 C ATOM 409 CD GLN A 32 3.352 1.479 7.611 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.209 1.139 7.897 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.620 2.676 7.084 1.00 0.00 N ATOM 0 H GLN A 32 5.962 -1.617 7.286 1.00 0.00 H new ATOM 0 HA GLN A 32 6.298 -0.503 9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.554 -1.117 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.092 0.178 9.870 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.443 1.066 7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.613 -0.112 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.582 2.930 6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.863 3.337 6.909 1.00 0.00 H new ATOM 420 N GLY A 33 4.475 -3.270 9.761 1.00 0.00 N ATOM 421 CA GLY A 33 4.067 -4.539 10.346 1.00 0.00 C ATOM 422 C GLY A 33 2.905 -5.105 9.540 1.00 0.00 C ATOM 423 O GLY A 33 1.960 -4.368 9.293 1.00 0.00 O ATOM 0 H GLY A 33 4.041 -3.106 8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.902 -5.240 10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.771 -4.397 11.385 1.00 0.00 H new ATOM 427 N ALA A 34 2.949 -6.372 9.110 1.00 0.00 N ATOM 428 CA ALA A 34 1.902 -7.008 8.302 1.00 0.00 C ATOM 429 C ALA A 34 0.494 -6.682 8.792 1.00 0.00 C ATOM 430 O ALA A 34 -0.388 -6.427 7.982 1.00 0.00 O ATOM 431 CB ALA A 34 2.105 -8.525 8.227 1.00 0.00 C ATOM 0 H ALA A 34 3.729 -6.996 9.318 1.00 0.00 H new ATOM 0 HA ALA A 34 1.995 -6.590 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.314 -8.968 7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.073 -8.741 7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.073 -8.947 9.232 1.00 0.00 H new ATOM 437 N GLU A 35 0.283 -6.681 10.109 1.00 0.00 N ATOM 438 CA GLU A 35 -0.990 -6.320 10.707 1.00 0.00 C ATOM 439 C GLU A 35 -1.389 -4.899 10.299 1.00 0.00 C ATOM 440 O GLU A 35 -2.480 -4.670 9.775 1.00 0.00 O ATOM 441 CB GLU A 35 -0.847 -6.403 12.230 1.00 0.00 C ATOM 442 CG GLU A 35 -0.814 -7.858 12.711 1.00 0.00 C ATOM 443 CD GLU A 35 -0.715 -7.925 14.231 1.00 0.00 C ATOM 444 OE1 GLU A 35 -1.784 -7.829 14.872 1.00 0.00 O ATOM 445 OE2 GLU A 35 0.428 -8.053 14.720 1.00 0.00 O ATOM 0 H GLU A 35 0.999 -6.933 10.790 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.766 -7.003 10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.067 -5.895 12.539 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.678 -5.880 12.704 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.713 -8.376 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.036 -8.374 12.264 1.00 0.00 H new ATOM 452 N GLU A 36 -0.488 -3.950 10.567 1.00 0.00 N ATOM 453 CA GLU A 36 -0.654 -2.547 10.284 1.00 0.00 C ATOM 454 C GLU A 36 -0.927 -2.389 8.792 1.00 0.00 C ATOM 455 O GLU A 36 -1.964 -1.877 8.383 1.00 0.00 O ATOM 456 CB GLU A 36 0.638 -1.829 10.719 1.00 0.00 C ATOM 457 CG GLU A 36 0.510 -0.327 10.491 1.00 0.00 C ATOM 458 CD GLU A 36 1.644 0.495 11.102 1.00 0.00 C ATOM 459 OE1 GLU A 36 2.503 -0.116 11.775 1.00 0.00 O ATOM 460 OE2 GLU A 36 1.629 1.729 10.895 1.00 0.00 O ATOM 0 H GLU A 36 0.409 -4.161 11.005 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.493 -2.109 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.836 -2.028 11.772 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.486 -2.218 10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.473 -0.135 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.437 0.014 10.909 1.00 0.00 H new ATOM 467 N LEU A 37 0.020 -2.867 7.990 1.00 0.00 N ATOM 468 CA LEU A 37 -0.006 -2.808 6.546 1.00 0.00 C ATOM 469 C LEU A 37 -1.303 -3.386 5.998 1.00 0.00 C ATOM 470 O LEU A 37 -1.909 -2.779 5.128 1.00 0.00 O ATOM 471 CB LEU A 37 1.214 -3.552 6.002 1.00 0.00 C ATOM 472 CG LEU A 37 2.511 -2.760 6.236 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.702 -3.711 6.134 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.653 -1.624 5.214 1.00 0.00 C ATOM 0 H LEU A 37 0.858 -3.323 8.351 1.00 0.00 H new ATOM 0 HA LEU A 37 0.036 -1.768 6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.291 -4.527 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.085 -3.732 4.935 1.00 0.00 H new ATOM 0 HG LEU A 37 2.479 -2.314 7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.626 -3.156 6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.609 -4.493 6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.723 -4.163 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.578 -1.079 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.675 -2.041 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.807 -0.944 5.306 1.00 0.00 H new ATOM 486 N TYR A 38 -1.741 -4.548 6.482 1.00 0.00 N ATOM 487 CA TYR A 38 -2.975 -5.158 6.019 1.00 0.00 C ATOM 488 C TYR A 38 -4.165 -4.254 6.295 1.00 0.00 C ATOM 489 O TYR A 38 -4.949 -3.977 5.393 1.00 0.00 O ATOM 490 CB TYR A 38 -3.177 -6.558 6.610 1.00 0.00 C ATOM 491 CG TYR A 38 -4.450 -7.236 6.133 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.719 -7.347 4.754 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.399 -7.694 7.066 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.935 -7.896 4.314 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.600 -8.275 6.624 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.866 -8.378 5.247 1.00 0.00 C ATOM 497 OH TYR A 38 -8.020 -8.957 4.811 1.00 0.00 O ATOM 0 H TYR A 38 -1.252 -5.084 7.199 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.896 -5.282 4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.322 -7.182 6.348 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.198 -6.486 7.697 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.989 -7.009 4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.204 -7.599 8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.153 -7.947 3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.318 -8.642 7.342 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.556 -9.239 5.582 1.00 0.00 H new ATOM 507 N LYS A 39 -4.299 -3.791 7.534 1.00 0.00 N ATOM 508 CA LYS A 39 -5.413 -2.930 7.901 1.00 0.00 C ATOM 509 C LYS A 39 -5.405 -1.645 7.075 1.00 0.00 C ATOM 510 O LYS A 39 -6.426 -1.263 6.512 1.00 0.00 O ATOM 511 CB LYS A 39 -5.365 -2.638 9.404 1.00 0.00 C ATOM 512 CG LYS A 39 -5.661 -3.905 10.216 1.00 0.00 C ATOM 513 CD LYS A 39 -5.406 -3.648 11.706 1.00 0.00 C ATOM 514 CE LYS A 39 -5.694 -4.893 12.556 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.794 -6.010 12.218 1.00 0.00 N ATOM 0 H LYS A 39 -3.653 -3.997 8.296 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.349 -3.443 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.382 -2.250 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.091 -1.864 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.696 -4.210 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.032 -4.725 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.370 -3.341 11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.033 -2.823 12.045 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.584 -4.645 13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.728 -5.203 12.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.903 -6.769 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.033 -6.375 11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.809 -5.675 12.220 1.00 0.00 H new ATOM 529 N LYS A 40 -4.256 -0.978 6.989 1.00 0.00 N ATOM 530 CA LYS A 40 -4.084 0.241 6.241 1.00 0.00 C ATOM 531 C LYS A 40 -4.372 0.019 4.752 1.00 0.00 C ATOM 532 O LYS A 40 -5.151 0.760 4.159 1.00 0.00 O ATOM 533 CB LYS A 40 -2.636 0.673 6.456 1.00 0.00 C ATOM 534 CG LYS A 40 -2.291 1.120 7.886 1.00 0.00 C ATOM 535 CD LYS A 40 -2.825 2.511 8.236 1.00 0.00 C ATOM 536 CE LYS A 40 -2.244 2.963 9.581 1.00 0.00 C ATOM 537 NZ LYS A 40 -2.689 4.322 9.931 1.00 0.00 N ATOM 0 H LYS A 40 -3.403 -1.288 7.454 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.780 1.009 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.982 -0.156 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.413 1.492 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.696 0.396 8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.208 1.114 8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.555 3.222 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.914 2.491 8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.548 2.267 10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.155 2.936 9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.958 4.790 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.851 4.869 9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.573 4.268 10.476 1.00 0.00 H new ATOM 551 N MET A 41 -3.747 -0.993 4.140 1.00 0.00 N ATOM 552 CA MET A 41 -3.888 -1.283 2.720 1.00 0.00 C ATOM 553 C MET A 41 -5.333 -1.675 2.391 1.00 0.00 C ATOM 554 O MET A 41 -5.899 -1.198 1.407 1.00 0.00 O ATOM 555 CB MET A 41 -2.781 -2.245 2.231 1.00 0.00 C ATOM 556 CG MET A 41 -3.016 -3.763 2.315 1.00 0.00 C ATOM 557 SD MET A 41 -4.029 -4.395 0.978 1.00 0.00 S ATOM 558 CE MET A 41 -3.016 -3.864 -0.424 1.00 0.00 C ATOM 0 H MET A 41 -3.124 -1.637 4.627 1.00 0.00 H new ATOM 0 HA MET A 41 -3.716 -0.382 2.131 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.572 -2.002 1.189 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.877 -2.021 2.798 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.053 -4.274 2.306 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.493 -3.998 3.266 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.132 -4.572 -1.245 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.336 -2.874 -0.750 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.969 -3.826 -0.123 1.00 0.00 H new ATOM 568 N LYS A 42 -5.957 -2.494 3.242 1.00 0.00 N ATOM 569 CA LYS A 42 -7.362 -2.842 3.093 1.00 0.00 C ATOM 570 C LYS A 42 -8.209 -1.573 3.251 1.00 0.00 C ATOM 571 O LYS A 42 -9.159 -1.366 2.502 1.00 0.00 O ATOM 572 CB LYS A 42 -7.751 -3.924 4.109 1.00 0.00 C ATOM 573 CG LYS A 42 -9.190 -4.407 3.892 1.00 0.00 C ATOM 574 CD LYS A 42 -9.519 -5.536 4.876 1.00 0.00 C ATOM 575 CE LYS A 42 -10.920 -6.112 4.638 1.00 0.00 C ATOM 576 NZ LYS A 42 -11.977 -5.107 4.855 1.00 0.00 N ATOM 0 H LYS A 42 -5.502 -2.928 4.045 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.545 -3.255 2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.066 -4.768 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.647 -3.530 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.885 -3.579 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.314 -4.759 2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.779 -6.330 4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.450 -5.160 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.986 -6.493 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.082 -6.958 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.909 -5.563 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.868 -4.688 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.900 -4.361 4.134 1.00 0.00 H new ATOM 590 N GLY A 43 -7.871 -0.724 4.225 1.00 0.00 N ATOM 591 CA GLY A 43 -8.539 0.542 4.465 1.00 0.00 C ATOM 592 C GLY A 43 -8.505 1.405 3.207 1.00 0.00 C ATOM 593 O GLY A 43 -9.533 1.931 2.782 1.00 0.00 O ATOM 0 H GLY A 43 -7.109 -0.908 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.572 0.365 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.054 1.067 5.288 1.00 0.00 H new ATOM 597 N TYR A 44 -7.324 1.532 2.598 1.00 0.00 N ATOM 598 CA TYR A 44 -7.137 2.254 1.360 1.00 0.00 C ATOM 599 C TYR A 44 -8.026 1.637 0.284 1.00 0.00 C ATOM 600 O TYR A 44 -8.795 2.359 -0.340 1.00 0.00 O ATOM 601 CB TYR A 44 -5.657 2.221 0.954 1.00 0.00 C ATOM 602 CG TYR A 44 -4.758 3.239 1.633 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.109 4.601 1.629 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.530 2.850 2.200 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.346 5.527 2.359 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.707 3.804 2.822 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.121 5.139 2.917 1.00 0.00 C ATOM 608 OH TYR A 44 -2.300 6.079 3.466 1.00 0.00 O ATOM 0 H TYR A 44 -6.464 1.126 2.966 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.422 3.298 1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.266 1.225 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.593 2.371 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.966 4.935 1.064 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.220 1.816 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.703 6.538 2.490 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.752 3.507 3.228 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.491 5.646 3.810 1.00 0.00 H new ATOM 618 N ALA A 45 -7.934 0.320 0.074 1.00 0.00 N ATOM 619 CA ALA A 45 -8.747 -0.397 -0.906 1.00 0.00 C ATOM 620 C ALA A 45 -10.240 -0.115 -0.723 1.00 0.00 C ATOM 621 O ALA A 45 -10.948 0.150 -1.692 1.00 0.00 O ATOM 622 CB ALA A 45 -8.462 -1.900 -0.817 1.00 0.00 C ATOM 0 H ALA A 45 -7.287 -0.281 0.585 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.474 -0.039 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.071 -2.430 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.407 -2.083 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.705 -2.258 0.183 1.00 0.00 H new ATOM 628 N ASP A 46 -10.724 -0.181 0.520 1.00 0.00 N ATOM 629 CA ASP A 46 -12.115 0.085 0.845 1.00 0.00 C ATOM 630 C ASP A 46 -12.450 1.552 0.571 1.00 0.00 C ATOM 631 O ASP A 46 -13.541 1.863 0.100 1.00 0.00 O ATOM 632 CB ASP A 46 -12.364 -0.273 2.313 1.00 0.00 C ATOM 633 CG ASP A 46 -13.805 0.017 2.715 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.648 -0.877 2.489 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.033 1.122 3.253 1.00 0.00 O ATOM 0 H ASP A 46 -10.153 -0.423 1.330 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.764 -0.526 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.144 -1.328 2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.685 0.295 2.949 1.00 0.00 H new ATOM 640 N GLY A 47 -11.511 2.446 0.888 1.00 0.00 N ATOM 641 CA GLY A 47 -11.644 3.882 0.718 1.00 0.00 C ATOM 642 C GLY A 47 -11.880 4.581 2.055 1.00 0.00 C ATOM 643 O GLY A 47 -11.844 5.808 2.111 1.00 0.00 O ATOM 0 H GLY A 47 -10.610 2.175 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.743 4.280 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.473 4.095 0.043 1.00 0.00 H new ATOM 647 N SER A 48 -12.108 3.821 3.133 1.00 0.00 N ATOM 648 CA SER A 48 -12.328 4.333 4.464 1.00 0.00 C ATOM 649 C SER A 48 -11.070 5.071 4.907 1.00 0.00 C ATOM 650 O SER A 48 -11.082 6.283 5.117 1.00 0.00 O ATOM 651 CB SER A 48 -12.619 3.120 5.345 1.00 0.00 C ATOM 652 OG SER A 48 -11.728 2.063 5.018 1.00 0.00 O ATOM 0 H SER A 48 -12.143 2.803 3.087 1.00 0.00 H new ATOM 0 HA SER A 48 -13.160 5.035 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.510 3.388 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.650 2.796 5.204 1.00 0.00 H new ATOM 0 HG SER A 48 -11.918 1.288 5.587 1.00 0.00 H new ATOM 658 N TYR A 49 -9.968 4.329 5.027 1.00 0.00 N ATOM 659 CA TYR A 49 -8.675 4.914 5.341 1.00 0.00 C ATOM 660 C TYR A 49 -8.138 5.533 4.051 1.00 0.00 C ATOM 661 O TYR A 49 -7.159 5.051 3.498 1.00 0.00 O ATOM 662 CB TYR A 49 -7.716 3.858 5.920 1.00 0.00 C ATOM 663 CG TYR A 49 -6.434 4.450 6.475 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.480 5.235 7.640 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.219 4.307 5.777 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.325 5.896 8.090 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.065 4.970 6.230 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.121 5.779 7.378 1.00 0.00 C ATOM 669 OH TYR A 49 -3.000 6.383 7.864 1.00 0.00 O ATOM 0 H TYR A 49 -9.952 3.316 4.910 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.770 5.681 6.109 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.227 3.309 6.711 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.467 3.137 5.141 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.405 5.330 8.190 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.174 3.688 4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.364 6.496 8.987 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.134 4.857 5.695 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.247 6.210 7.261 1.00 0.00 H new ATOM 679 N GLY A 50 -8.791 6.577 3.543 1.00 0.00 N ATOM 680 CA GLY A 50 -8.394 7.212 2.298 1.00 0.00 C ATOM 681 C GLY A 50 -9.154 8.515 2.094 1.00 0.00 C ATOM 682 O GLY A 50 -8.999 9.460 2.867 1.00 0.00 O ATOM 0 H GLY A 50 -9.607 7.001 3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.322 7.408 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.586 6.538 1.463 1.00 0.00 H new ATOM 686 N GLY A 51 -9.941 8.586 1.022 1.00 0.00 N ATOM 687 CA GLY A 51 -10.798 9.724 0.706 1.00 0.00 C ATOM 688 C GLY A 51 -10.054 10.946 0.157 1.00 0.00 C ATOM 689 O GLY A 51 -10.446 11.482 -0.876 1.00 0.00 O ATOM 0 H GLY A 51 -10.001 7.836 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.543 9.410 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.338 10.017 1.606 1.00 0.00 H new ATOM 693 N GLU A 52 -9.014 11.407 0.860 1.00 0.00 N ATOM 694 CA GLU A 52 -8.229 12.582 0.489 1.00 0.00 C ATOM 695 C GLU A 52 -7.286 12.257 -0.684 1.00 0.00 C ATOM 696 O GLU A 52 -7.623 11.441 -1.538 1.00 0.00 O ATOM 697 CB GLU A 52 -7.476 13.089 1.734 1.00 0.00 C ATOM 698 CG GLU A 52 -8.393 13.273 2.953 1.00 0.00 C ATOM 699 CD GLU A 52 -7.632 13.885 4.126 1.00 0.00 C ATOM 700 OE1 GLU A 52 -6.567 13.323 4.464 1.00 0.00 O ATOM 701 OE2 GLU A 52 -8.122 14.906 4.655 1.00 0.00 O ATOM 0 H GLU A 52 -8.691 10.963 1.719 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.885 13.380 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.683 12.384 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.996 14.039 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.233 13.914 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.808 12.309 3.248 1.00 0.00 H new ATOM 708 N ARG A 53 -6.082 12.853 -0.708 1.00 0.00 N ATOM 709 CA ARG A 53 -5.038 12.624 -1.717 1.00 0.00 C ATOM 710 C ARG A 53 -4.915 11.134 -2.060 1.00 0.00 C ATOM 711 O ARG A 53 -4.773 10.741 -3.218 1.00 0.00 O ATOM 712 CB ARG A 53 -3.706 13.212 -1.208 1.00 0.00 C ATOM 713 CG ARG A 53 -3.142 12.517 0.047 1.00 0.00 C ATOM 714 CD ARG A 53 -1.956 13.286 0.640 1.00 0.00 C ATOM 715 NE ARG A 53 -1.541 12.697 1.926 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.286 12.570 2.390 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.784 12.913 1.669 1.00 0.00 N ATOM 718 NH2 ARG A 53 -0.075 12.077 3.614 1.00 0.00 N ATOM 0 H ARG A 53 -5.801 13.531 0.000 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.311 13.131 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.967 13.150 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.850 14.270 -0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.928 12.427 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.828 11.505 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.120 13.270 -0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.230 14.331 0.785 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.286 12.348 2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.666 13.288 0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.720 12.800 2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.866 11.798 4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.877 11.980 3.968 1.00 0.00 H new ATOM 732 N LYS A 54 -5.024 10.325 -1.005 1.00 0.00 N ATOM 733 CA LYS A 54 -5.021 8.878 -0.971 1.00 0.00 C ATOM 734 C LYS A 54 -5.832 8.245 -2.108 1.00 0.00 C ATOM 735 O LYS A 54 -5.478 7.166 -2.564 1.00 0.00 O ATOM 736 CB LYS A 54 -5.609 8.436 0.376 1.00 0.00 C ATOM 737 CG LYS A 54 -5.039 9.142 1.622 1.00 0.00 C ATOM 738 CD LYS A 54 -3.509 9.070 1.715 1.00 0.00 C ATOM 739 CE LYS A 54 -3.003 9.649 3.041 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.287 8.751 4.177 1.00 0.00 N ATOM 0 H LYS A 54 -5.126 10.713 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.992 8.542 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.687 8.598 0.351 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.451 7.363 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.346 10.188 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.472 8.692 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.185 8.033 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.066 9.618 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.929 9.823 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.472 10.617 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.800 9.101 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.312 8.726 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.950 7.793 3.955 1.00 0.00 H new ATOM 754 N ALA A 55 -6.920 8.884 -2.550 1.00 0.00 N ATOM 755 CA ALA A 55 -7.817 8.419 -3.607 1.00 0.00 C ATOM 756 C ALA A 55 -7.124 7.641 -4.736 1.00 0.00 C ATOM 757 O ALA A 55 -7.594 6.573 -5.130 1.00 0.00 O ATOM 758 CB ALA A 55 -8.592 9.613 -4.171 1.00 0.00 C ATOM 0 H ALA A 55 -7.211 9.781 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.495 7.701 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.262 9.272 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.174 10.077 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.891 10.341 -4.580 1.00 0.00 H new ATOM 764 N MET A 56 -6.011 8.168 -5.256 1.00 0.00 N ATOM 765 CA MET A 56 -5.259 7.515 -6.324 1.00 0.00 C ATOM 766 C MET A 56 -4.811 6.116 -5.881 1.00 0.00 C ATOM 767 O MET A 56 -5.091 5.110 -6.536 1.00 0.00 O ATOM 768 CB MET A 56 -4.052 8.385 -6.705 1.00 0.00 C ATOM 769 CG MET A 56 -4.436 9.794 -7.182 1.00 0.00 C ATOM 770 SD MET A 56 -5.469 9.889 -8.670 1.00 0.00 S ATOM 771 CE MET A 56 -7.104 10.148 -7.943 1.00 0.00 C ATOM 0 H MET A 56 -5.611 9.054 -4.948 1.00 0.00 H new ATOM 0 HA MET A 56 -5.898 7.400 -7.200 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.390 8.470 -5.844 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.488 7.885 -7.493 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.960 10.299 -6.370 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.519 10.354 -7.366 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.839 10.279 -8.737 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.374 9.283 -7.338 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.086 11.039 -7.315 1.00 0.00 H new ATOM 781 N MET A 57 -4.123 6.067 -4.739 1.00 0.00 N ATOM 782 CA MET A 57 -3.641 4.843 -4.126 1.00 0.00 C ATOM 783 C MET A 57 -4.829 3.930 -3.865 1.00 0.00 C ATOM 784 O MET A 57 -4.787 2.769 -4.257 1.00 0.00 O ATOM 785 CB MET A 57 -2.903 5.195 -2.835 1.00 0.00 C ATOM 786 CG MET A 57 -2.505 3.979 -1.992 1.00 0.00 C ATOM 787 SD MET A 57 -1.542 4.393 -0.517 1.00 0.00 S ATOM 788 CE MET A 57 -2.142 6.039 -0.073 1.00 0.00 C ATOM 0 H MET A 57 -3.883 6.903 -4.206 1.00 0.00 H new ATOM 0 HA MET A 57 -2.945 4.320 -4.782 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.005 5.760 -3.085 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.535 5.849 -2.234 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.408 3.449 -1.688 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.926 3.294 -2.611 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.784 6.300 0.923 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.772 6.768 -0.794 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.232 6.043 -0.079 1.00 0.00 H new ATOM 798 N THR A 58 -5.874 4.458 -3.218 1.00 0.00 N ATOM 799 CA THR A 58 -7.109 3.737 -2.938 1.00 0.00 C ATOM 800 C THR A 58 -7.558 2.988 -4.189 1.00 0.00 C ATOM 801 O THR A 58 -7.664 1.764 -4.161 1.00 0.00 O ATOM 802 CB THR A 58 -8.179 4.710 -2.407 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.999 4.905 -1.021 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.633 4.289 -2.669 1.00 0.00 C ATOM 0 H THR A 58 -5.880 5.417 -2.870 1.00 0.00 H new ATOM 0 HA THR A 58 -6.944 2.994 -2.158 1.00 0.00 H new ATOM 0 HB THR A 58 -8.029 5.632 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.236 4.084 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.309 5.039 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.799 4.202 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.825 3.327 -2.193 1.00 0.00 H new ATOM 812 N ASN A 59 -7.782 3.698 -5.299 1.00 0.00 N ATOM 813 CA ASN A 59 -8.234 3.044 -6.518 1.00 0.00 C ATOM 814 C ASN A 59 -7.219 2.005 -6.991 1.00 0.00 C ATOM 815 O ASN A 59 -7.624 0.931 -7.432 1.00 0.00 O ATOM 816 CB ASN A 59 -8.524 4.061 -7.625 1.00 0.00 C ATOM 817 CG ASN A 59 -9.417 3.521 -8.751 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.047 4.309 -9.446 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.530 2.207 -8.968 1.00 0.00 N ATOM 0 H ASN A 59 -7.659 4.708 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.167 2.529 -6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.002 4.936 -7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.579 4.396 -8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.139 1.863 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.007 1.548 -8.391 1.00 0.00 H new ATOM 826 N ALA A 60 -5.920 2.308 -6.920 1.00 0.00 N ATOM 827 CA ALA A 60 -4.900 1.372 -7.372 1.00 0.00 C ATOM 828 C ALA A 60 -4.985 0.063 -6.583 1.00 0.00 C ATOM 829 O ALA A 60 -5.199 -1.005 -7.155 1.00 0.00 O ATOM 830 CB ALA A 60 -3.509 2.009 -7.276 1.00 0.00 C ATOM 0 H ALA A 60 -5.557 3.189 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.079 1.132 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.758 1.296 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.473 2.901 -7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.305 2.283 -6.241 1.00 0.00 H new ATOM 836 N VAL A 61 -4.847 0.140 -5.259 1.00 0.00 N ATOM 837 CA VAL A 61 -4.874 -1.046 -4.416 1.00 0.00 C ATOM 838 C VAL A 61 -6.246 -1.729 -4.456 1.00 0.00 C ATOM 839 O VAL A 61 -6.316 -2.950 -4.350 1.00 0.00 O ATOM 840 CB VAL A 61 -4.387 -0.736 -2.991 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.000 -0.084 -3.007 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.349 0.145 -2.197 1.00 0.00 C ATOM 0 H VAL A 61 -4.715 1.015 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.166 -1.768 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.337 -1.702 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.683 0.123 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.286 -0.759 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.043 0.849 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.942 0.323 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.479 1.097 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.313 -0.355 -2.110 1.00 0.00 H new ATOM 852 N LYS A 62 -7.333 -0.972 -4.651 1.00 0.00 N ATOM 853 CA LYS A 62 -8.681 -1.522 -4.740 1.00 0.00 C ATOM 854 C LYS A 62 -8.785 -2.592 -5.829 1.00 0.00 C ATOM 855 O LYS A 62 -9.654 -3.457 -5.749 1.00 0.00 O ATOM 856 CB LYS A 62 -9.695 -0.388 -4.953 1.00 0.00 C ATOM 857 CG LYS A 62 -11.142 -0.882 -5.059 1.00 0.00 C ATOM 858 CD LYS A 62 -12.110 0.306 -4.983 1.00 0.00 C ATOM 859 CE LYS A 62 -13.570 -0.156 -4.908 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.968 -0.929 -6.097 1.00 0.00 N ATOM 0 H LYS A 62 -7.296 0.042 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.915 -2.018 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.619 0.318 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.436 0.156 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.284 -1.418 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.354 -1.586 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.875 0.912 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.974 0.943 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.712 -0.766 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.220 0.713 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.983 -1.149 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.778 -0.371 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.424 -1.814 -6.134 1.00 0.00 H new ATOM 874 N LYS A 63 -7.923 -2.550 -6.850 1.00 0.00 N ATOM 875 CA LYS A 63 -7.979 -3.546 -7.908 1.00 0.00 C ATOM 876 C LYS A 63 -7.521 -4.934 -7.418 1.00 0.00 C ATOM 877 O LYS A 63 -7.810 -5.939 -8.063 1.00 0.00 O ATOM 878 CB LYS A 63 -7.158 -3.092 -9.123 1.00 0.00 C ATOM 879 CG LYS A 63 -7.471 -1.661 -9.591 1.00 0.00 C ATOM 880 CD LYS A 63 -8.966 -1.316 -9.678 1.00 0.00 C ATOM 881 CE LYS A 63 -9.689 -2.169 -10.727 1.00 0.00 C ATOM 882 NZ LYS A 63 -11.110 -1.797 -10.831 1.00 0.00 N ATOM 0 H LYS A 63 -7.192 -1.847 -6.960 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.021 -3.642 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.098 -3.159 -8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.339 -3.781 -9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.991 -0.959 -8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.021 -1.510 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.431 -1.467 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.081 -0.261 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.206 -2.044 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.605 -3.223 -10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.573 -2.391 -11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.574 -1.940 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.188 -0.797 -11.107 1.00 0.00 H new ATOM 896 N ALA A 64 -6.788 -4.998 -6.300 1.00 0.00 N ATOM 897 CA ALA A 64 -6.243 -6.225 -5.742 1.00 0.00 C ATOM 898 C ALA A 64 -7.320 -7.041 -5.020 1.00 0.00 C ATOM 899 O ALA A 64 -8.140 -6.499 -4.283 1.00 0.00 O ATOM 900 CB ALA A 64 -5.113 -5.843 -4.785 1.00 0.00 C ATOM 0 H ALA A 64 -6.556 -4.171 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.862 -6.856 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.684 -6.746 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.341 -5.301 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.508 -5.210 -3.991 1.00 0.00 H new ATOM 906 N SER A 65 -7.300 -8.360 -5.222 1.00 0.00 N ATOM 907 CA SER A 65 -8.224 -9.305 -4.597 1.00 0.00 C ATOM 908 C SER A 65 -7.801 -9.573 -3.147 1.00 0.00 C ATOM 909 O SER A 65 -6.683 -9.244 -2.776 1.00 0.00 O ATOM 910 CB SER A 65 -8.218 -10.603 -5.413 1.00 0.00 C ATOM 911 OG SER A 65 -8.135 -10.304 -6.794 1.00 0.00 O ATOM 0 H SER A 65 -6.624 -8.810 -5.840 1.00 0.00 H new ATOM 0 HA SER A 65 -9.232 -8.890 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.374 -11.226 -5.116 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.123 -11.175 -5.210 1.00 0.00 H new ATOM 0 HG SER A 65 -8.130 -11.137 -7.309 1.00 0.00 H new ATOM 917 N ASP A 66 -8.639 -10.213 -2.325 1.00 0.00 N ATOM 918 CA ASP A 66 -8.301 -10.489 -0.924 1.00 0.00 C ATOM 919 C ASP A 66 -6.917 -11.134 -0.765 1.00 0.00 C ATOM 920 O ASP A 66 -6.103 -10.678 0.037 1.00 0.00 O ATOM 921 CB ASP A 66 -9.404 -11.316 -0.242 1.00 0.00 C ATOM 922 CG ASP A 66 -9.432 -12.777 -0.687 1.00 0.00 C ATOM 923 OD1 ASP A 66 -9.361 -12.998 -1.917 1.00 0.00 O ATOM 924 OD2 ASP A 66 -9.494 -13.645 0.210 1.00 0.00 O ATOM 0 H ASP A 66 -9.559 -10.551 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.244 -9.527 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.262 -11.276 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.372 -10.861 -0.454 1.00 0.00 H new ATOM 929 N GLU A 67 -6.652 -12.183 -1.548 1.00 0.00 N ATOM 930 CA GLU A 67 -5.379 -12.886 -1.546 1.00 0.00 C ATOM 931 C GLU A 67 -4.232 -11.903 -1.761 1.00 0.00 C ATOM 932 O GLU A 67 -3.252 -11.891 -1.018 1.00 0.00 O ATOM 933 CB GLU A 67 -5.421 -14.000 -2.606 1.00 0.00 C ATOM 934 CG GLU A 67 -4.090 -14.758 -2.778 1.00 0.00 C ATOM 935 CD GLU A 67 -3.107 -14.091 -3.744 1.00 0.00 C ATOM 936 OE1 GLU A 67 -3.575 -13.403 -4.674 1.00 0.00 O ATOM 937 OE2 GLU A 67 -1.884 -14.301 -3.579 1.00 0.00 O ATOM 0 H GLU A 67 -7.328 -12.568 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.203 -13.356 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.200 -14.713 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.705 -13.564 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.613 -14.857 -1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.303 -15.766 -3.133 1.00 0.00 H new ATOM 944 N GLU A 68 -4.377 -11.071 -2.787 1.00 0.00 N ATOM 945 CA GLU A 68 -3.418 -10.089 -3.175 1.00 0.00 C ATOM 946 C GLU A 68 -3.226 -9.054 -2.069 1.00 0.00 C ATOM 947 O GLU A 68 -2.095 -8.773 -1.699 1.00 0.00 O ATOM 948 CB GLU A 68 -3.950 -9.425 -4.437 1.00 0.00 C ATOM 949 CG GLU A 68 -4.166 -10.299 -5.682 1.00 0.00 C ATOM 950 CD GLU A 68 -2.885 -10.887 -6.265 1.00 0.00 C ATOM 951 OE1 GLU A 68 -1.789 -10.550 -5.764 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.003 -11.720 -7.189 1.00 0.00 O ATOM 0 H GLU A 68 -5.205 -11.077 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.447 -10.550 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.903 -8.956 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.261 -8.625 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.843 -11.114 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.660 -9.703 -6.449 1.00 0.00 H new ATOM 959 N LEU A 69 -4.309 -8.468 -1.553 1.00 0.00 N ATOM 960 CA LEU A 69 -4.284 -7.492 -0.494 1.00 0.00 C ATOM 961 C LEU A 69 -3.454 -8.034 0.683 1.00 0.00 C ATOM 962 O LEU A 69 -2.471 -7.417 1.103 1.00 0.00 O ATOM 963 CB LEU A 69 -5.742 -7.219 -0.085 1.00 0.00 C ATOM 964 CG LEU A 69 -6.654 -6.426 -1.049 1.00 0.00 C ATOM 965 CD1 LEU A 69 -8.063 -6.346 -0.448 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.234 -4.979 -1.322 1.00 0.00 C ATOM 0 H LEU A 69 -5.252 -8.676 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.819 -6.561 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.218 -8.182 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.723 -6.684 0.865 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.593 -6.971 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.714 -5.788 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.458 -7.353 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.019 -5.840 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.943 -4.518 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.222 -4.421 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.238 -4.967 -1.765 1.00 0.00 H new ATOM 978 N LYS A 70 -3.822 -9.219 1.186 1.00 0.00 N ATOM 979 CA LYS A 70 -3.105 -9.867 2.279 1.00 0.00 C ATOM 980 C LYS A 70 -1.630 -10.036 1.909 1.00 0.00 C ATOM 981 O LYS A 70 -0.732 -9.674 2.671 1.00 0.00 O ATOM 982 CB LYS A 70 -3.746 -11.229 2.586 1.00 0.00 C ATOM 983 CG LYS A 70 -5.113 -11.064 3.260 1.00 0.00 C ATOM 984 CD LYS A 70 -5.751 -12.385 3.719 1.00 0.00 C ATOM 985 CE LYS A 70 -6.110 -13.343 2.573 1.00 0.00 C ATOM 986 NZ LYS A 70 -4.979 -14.208 2.187 1.00 0.00 N ATOM 0 H LYS A 70 -4.623 -9.750 0.845 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.167 -9.244 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.860 -11.796 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.086 -11.806 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.004 -10.407 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.791 -10.568 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.064 -12.890 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.654 -12.161 4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.953 -13.965 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.433 -12.765 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.334 -15.154 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.492 -13.797 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.313 -14.284 2.982 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.378 -10.579 0.719 1.00 0.00 N ATOM 1001 CA ALA A 71 -0.027 -10.802 0.246 1.00 0.00 C ATOM 1002 C ALA A 71 0.764 -9.504 0.079 1.00 0.00 C ATOM 1003 O ALA A 71 1.981 -9.514 0.253 1.00 0.00 O ATOM 1004 CB ALA A 71 -0.082 -11.590 -1.061 1.00 0.00 C ATOM 0 H ALA A 71 -2.104 -10.872 0.065 1.00 0.00 H new ATOM 0 HA ALA A 71 0.507 -11.378 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.931 -11.763 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.574 -12.547 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.643 -11.023 -1.804 1.00 0.00 H new ATOM 1010 N LEU A 72 0.113 -8.384 -0.246 1.00 0.00 N ATOM 1011 CA LEU A 72 0.794 -7.125 -0.445 1.00 0.00 C ATOM 1012 C LEU A 72 1.218 -6.610 0.925 1.00 0.00 C ATOM 1013 O LEU A 72 2.329 -6.108 1.085 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.157 -6.227 -1.234 1.00 0.00 C ATOM 1015 CG LEU A 72 0.418 -4.931 -1.820 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.862 -5.033 -2.326 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.474 -4.588 -3.013 1.00 0.00 C ATOM 0 H LEU A 72 -0.898 -8.336 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 72 1.711 -7.186 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.570 -6.813 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.989 -5.961 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 72 0.436 -4.183 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.178 -4.068 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.516 -5.320 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.919 -5.784 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.119 -3.670 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.440 -5.401 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.500 -4.449 -2.672 1.00 0.00 H new ATOM 1029 N ALA A 73 0.352 -6.784 1.929 1.00 0.00 N ATOM 1030 CA ALA A 73 0.702 -6.466 3.302 1.00 0.00 C ATOM 1031 C ALA A 73 1.908 -7.304 3.731 1.00 0.00 C ATOM 1032 O ALA A 73 2.892 -6.761 4.230 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.494 -6.711 4.214 1.00 0.00 C ATOM 0 H ALA A 73 -0.595 -7.144 1.808 1.00 0.00 H new ATOM 0 HA ALA A 73 0.972 -5.413 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.223 -6.470 5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.326 -6.080 3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.790 -7.758 4.153 1.00 0.00 H new ATOM 1039 N ASP A 74 1.839 -8.627 3.528 1.00 0.00 N ATOM 1040 CA ASP A 74 2.949 -9.517 3.848 1.00 0.00 C ATOM 1041 C ASP A 74 4.235 -9.023 3.181 1.00 0.00 C ATOM 1042 O ASP A 74 5.246 -8.844 3.854 1.00 0.00 O ATOM 1043 CB ASP A 74 2.625 -10.952 3.424 1.00 0.00 C ATOM 1044 CG ASP A 74 3.793 -11.881 3.739 1.00 0.00 C ATOM 1045 OD1 ASP A 74 3.886 -12.295 4.915 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.575 -12.151 2.802 1.00 0.00 O ATOM 0 H ASP A 74 1.021 -9.099 3.142 1.00 0.00 H new ATOM 0 HA ASP A 74 3.103 -9.512 4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.729 -11.296 3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.408 -10.981 2.356 1.00 0.00 H new ATOM 1051 N TYR A 75 4.181 -8.777 1.868 1.00 0.00 N ATOM 1052 CA TYR A 75 5.305 -8.266 1.097 1.00 0.00 C ATOM 1053 C TYR A 75 5.875 -7.008 1.757 1.00 0.00 C ATOM 1054 O TYR A 75 7.048 -6.982 2.115 1.00 0.00 O ATOM 1055 CB TYR A 75 4.863 -8.013 -0.351 1.00 0.00 C ATOM 1056 CG TYR A 75 5.893 -7.319 -1.223 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.864 -8.068 -1.912 1.00 0.00 C ATOM 1058 CD2 TYR A 75 5.910 -5.914 -1.303 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.846 -7.411 -2.675 1.00 0.00 C ATOM 1060 CE2 TYR A 75 6.916 -5.260 -2.032 1.00 0.00 C ATOM 1061 CZ TYR A 75 7.879 -6.008 -2.728 1.00 0.00 C ATOM 1062 OH TYR A 75 8.845 -5.377 -3.452 1.00 0.00 O ATOM 0 H TYR A 75 3.342 -8.931 1.309 1.00 0.00 H new ATOM 0 HA TYR A 75 6.105 -9.006 1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.606 -8.968 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.955 -7.411 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.855 -9.146 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.147 -5.337 -0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.577 -7.987 -3.222 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.949 -4.181 -2.057 1.00 0.00 H new ATOM 0 HH TYR A 75 8.479 -4.555 -3.840 1.00 0.00 H new ATOM 1072 N MET A 76 5.050 -5.971 1.947 1.00 0.00 N ATOM 1073 CA MET A 76 5.483 -4.724 2.573 1.00 0.00 C ATOM 1074 C MET A 76 6.041 -4.959 3.982 1.00 0.00 C ATOM 1075 O MET A 76 6.909 -4.212 4.429 1.00 0.00 O ATOM 1076 CB MET A 76 4.336 -3.705 2.574 1.00 0.00 C ATOM 1077 CG MET A 76 4.045 -3.156 1.171 1.00 0.00 C ATOM 1078 SD MET A 76 2.759 -1.881 1.084 1.00 0.00 S ATOM 1079 CE MET A 76 1.312 -2.855 1.554 1.00 0.00 C ATOM 0 H MET A 76 4.068 -5.976 1.671 1.00 0.00 H new ATOM 0 HA MET A 76 6.301 -4.312 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.436 -4.174 2.972 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.587 -2.880 3.240 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.968 -2.745 0.762 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.753 -3.986 0.528 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.539 -2.750 0.792 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.593 -3.904 1.643 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.929 -2.499 2.511 1.00 0.00 H new ATOM 1089 N SER A 77 5.565 -5.992 4.684 1.00 0.00 N ATOM 1090 CA SER A 77 6.060 -6.335 6.010 1.00 0.00 C ATOM 1091 C SER A 77 7.427 -7.027 5.967 1.00 0.00 C ATOM 1092 O SER A 77 7.957 -7.347 7.031 1.00 0.00 O ATOM 1093 CB SER A 77 5.060 -7.239 6.730 1.00 0.00 C ATOM 1094 OG SER A 77 5.366 -7.284 8.115 1.00 0.00 O ATOM 0 H SER A 77 4.827 -6.609 4.345 1.00 0.00 H new ATOM 0 HA SER A 77 6.179 -5.397 6.553 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.047 -6.865 6.584 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.093 -8.243 6.308 1.00 0.00 H new ATOM 0 HG SER A 77 6.338 -7.322 8.234 1.00 0.00 H new ATOM 1100 N LYS A 78 7.965 -7.302 4.777 1.00 0.00 N ATOM 1101 CA LYS A 78 9.227 -7.986 4.558 1.00 0.00 C ATOM 1102 C LYS A 78 9.868 -7.283 3.360 1.00 0.00 C ATOM 1103 O LYS A 78 10.139 -7.894 2.325 1.00 0.00 O ATOM 1104 CB LYS A 78 8.903 -9.460 4.283 1.00 0.00 C ATOM 1105 CG LYS A 78 10.155 -10.342 4.187 1.00 0.00 C ATOM 1106 CD LYS A 78 9.833 -11.709 3.567 1.00 0.00 C ATOM 1107 CE LYS A 78 9.250 -11.633 2.146 1.00 0.00 C ATOM 1108 NZ LYS A 78 9.979 -10.679 1.289 1.00 0.00 N ATOM 0 H LYS A 78 7.507 -7.039 3.905 1.00 0.00 H new ATOM 0 HA LYS A 78 9.915 -7.954 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.259 -9.839 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.340 -9.535 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.912 -9.838 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.579 -10.483 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.743 -12.308 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.125 -12.230 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.280 -12.623 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.202 -11.340 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.581 -10.701 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.886 -9.720 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.984 -10.943 1.253 1.00 0.00 H new ATOM 1122 N LEU A 79 10.063 -5.974 3.509 1.00 0.00 N ATOM 1123 CA LEU A 79 10.501 -5.058 2.497 1.00 0.00 C ATOM 1124 C LEU A 79 11.607 -4.192 3.090 1.00 0.00 C ATOM 1125 O LEU A 79 12.452 -3.711 2.306 1.00 0.00 O ATOM 1126 CB LEU A 79 9.242 -4.254 2.197 1.00 0.00 C ATOM 1127 CG LEU A 79 9.373 -3.305 1.020 1.00 0.00 C ATOM 1128 CD1 LEU A 79 9.882 -3.975 -0.262 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.020 -2.637 0.762 1.00 0.00 C ATOM 1130 OXT LEU A 79 11.574 -4.004 4.328 1.00 0.00 O ATOM 0 H LEU A 79 9.905 -5.511 4.404 1.00 0.00 H new ATOM 0 HA LEU A 79 10.909 -5.516 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.422 -4.945 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.972 -3.680 3.083 1.00 0.00 H new ATOM 0 HG LEU A 79 10.127 -2.566 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.949 -3.233 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.868 -4.404 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.191 -4.764 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.107 -1.954 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.275 -3.400 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.714 -2.081 1.648 1.00 0.00 H new