USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 678 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 26 TYR OH : rot 70:sc= 0.772 USER MOD Set 1.2: A 65 SER OG : rot 73:sc= 1.45 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -44:sc= 0.766 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 110:sc= -0.393 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -5:sc= 0.531 USER MOD Single : A 37 ASN : amide:sc= 0.244 K(o=0.24,f=-1.7!) USER MOD Single : A 38 ASN : amide:sc= -0.633 K(o=-0.63,f=-0.066) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc=-0.00326 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 63 SER OG : rot -100:sc= -0.0135 USER MOD Single : A 70 GLN : amide:sc= 0.374 K(o=0.37,f=-0.19) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -27:sc= 0.479 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 11.999 16.254 10.002 1.00 0.00 N ATOM 2 CA GLY A -2 11.605 15.119 10.855 1.00 0.00 C ATOM 3 C GLY A -2 12.041 13.798 10.246 1.00 0.00 C ATOM 4 O GLY A -2 13.231 13.648 10.000 1.00 0.00 O ATOM 0 H1 GLY A -2 11.688 17.143 10.442 1.00 0.00 H new ATOM 0 H2 GLY A -2 13.033 16.264 9.893 1.00 0.00 H new ATOM 0 H3 GLY A -2 11.554 16.157 9.067 1.00 0.00 H new ATOM 0 HA2 GLY A -2 12.050 15.232 11.843 1.00 0.00 H new ATOM 0 HA3 GLY A -2 10.523 15.121 10.991 1.00 0.00 H new ATOM 10 N SER A -1 11.107 12.859 10.045 1.00 0.00 N ATOM 11 CA SER A -1 11.382 11.411 10.142 1.00 0.00 C ATOM 12 C SER A -1 10.635 10.557 9.092 1.00 0.00 C ATOM 13 O SER A -1 9.940 11.102 8.238 1.00 0.00 O ATOM 14 CB SER A -1 11.011 10.971 11.568 1.00 0.00 C ATOM 15 OG SER A -1 11.812 11.659 12.510 1.00 0.00 O ATOM 0 H SER A -1 10.139 13.077 9.810 1.00 0.00 H new ATOM 0 HA SER A -1 12.439 11.247 9.930 1.00 0.00 H new ATOM 0 HB2 SER A -1 9.957 11.174 11.757 1.00 0.00 H new ATOM 0 HB3 SER A -1 11.153 9.895 11.674 1.00 0.00 H new ATOM 0 HG SER A -1 11.569 11.375 13.416 1.00 0.00 H new ATOM 21 N HIS A 0 10.773 9.216 9.150 1.00 0.00 N ATOM 22 CA HIS A 0 10.175 8.245 8.206 1.00 0.00 C ATOM 23 C HIS A 0 9.435 7.092 8.923 1.00 0.00 C ATOM 24 O HIS A 0 9.765 6.781 10.065 1.00 0.00 O ATOM 25 CB HIS A 0 11.274 7.720 7.249 1.00 0.00 C ATOM 26 CG HIS A 0 11.850 6.355 7.577 1.00 0.00 C ATOM 27 ND1 HIS A 0 11.658 5.202 6.833 1.00 0.00 N ATOM 28 CD2 HIS A 0 12.659 6.043 8.636 1.00 0.00 C ATOM 29 CE1 HIS A 0 12.342 4.206 7.433 1.00 0.00 C ATOM 30 NE2 HIS A 0 12.956 4.695 8.531 1.00 0.00 N ATOM 0 H HIS A 0 11.322 8.762 9.880 1.00 0.00 H new ATOM 0 HA HIS A 0 9.411 8.761 7.624 1.00 0.00 H new ATOM 0 HB2 HIS A 0 10.862 7.685 6.240 1.00 0.00 H new ATOM 0 HB3 HIS A 0 12.090 8.442 7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 0 13.000 6.719 9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 0 12.390 3.183 7.090 1.00 0.00 H new ATOM 0 HE2 HIS A 0 13.540 4.161 9.175 1.00 0.00 H new ATOM 39 N MET A 1 8.478 6.434 8.241 1.00 0.00 N ATOM 40 CA MET A 1 7.695 5.278 8.733 1.00 0.00 C ATOM 41 C MET A 1 6.997 4.543 7.558 1.00 0.00 C ATOM 42 O MET A 1 6.725 5.174 6.535 1.00 0.00 O ATOM 43 CB MET A 1 6.644 5.814 9.726 1.00 0.00 C ATOM 44 CG MET A 1 5.933 4.724 10.535 1.00 0.00 C ATOM 45 SD MET A 1 4.721 5.378 11.716 1.00 0.00 S ATOM 46 CE MET A 1 5.806 5.907 13.071 1.00 0.00 C ATOM 0 H MET A 1 8.216 6.703 7.292 1.00 0.00 H new ATOM 0 HA MET A 1 8.355 4.561 9.221 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.130 6.504 10.416 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.898 6.387 9.175 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.430 4.043 9.849 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.677 4.139 11.076 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.204 6.332 13.874 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.361 5.049 13.449 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.505 6.659 12.705 1.00 0.00 H new ATOM 56 N THR A 2 6.696 3.230 7.660 1.00 0.00 N ATOM 57 CA THR A 2 5.822 2.454 6.730 1.00 0.00 C ATOM 58 C THR A 2 5.446 1.076 7.333 1.00 0.00 C ATOM 59 O THR A 2 5.986 0.719 8.379 1.00 0.00 O ATOM 60 CB THR A 2 6.451 2.241 5.325 1.00 0.00 C ATOM 61 OG1 THR A 2 7.373 3.241 4.964 1.00 0.00 O ATOM 62 CG2 THR A 2 5.375 2.270 4.234 1.00 0.00 C ATOM 0 H THR A 2 7.064 2.653 8.417 1.00 0.00 H new ATOM 0 HA THR A 2 4.926 3.061 6.601 1.00 0.00 H new ATOM 0 HB THR A 2 6.954 1.276 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.009 4.121 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.840 2.119 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.650 1.477 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.868 3.235 4.248 1.00 0.00 H new ATOM 70 N LEU A 3 4.558 0.289 6.688 1.00 0.00 N ATOM 71 CA LEU A 3 4.076 -1.040 7.125 1.00 0.00 C ATOM 72 C LEU A 3 4.140 -2.105 5.999 1.00 0.00 C ATOM 73 O LEU A 3 4.153 -1.763 4.817 1.00 0.00 O ATOM 74 CB LEU A 3 2.620 -0.935 7.634 1.00 0.00 C ATOM 75 CG LEU A 3 2.352 -0.216 8.974 1.00 0.00 C ATOM 76 CD1 LEU A 3 3.298 -0.667 10.094 1.00 0.00 C ATOM 77 CD2 LEU A 3 2.312 1.317 8.876 1.00 0.00 C ATOM 0 H LEU A 3 4.137 0.577 5.805 1.00 0.00 H new ATOM 0 HA LEU A 3 4.741 -1.363 7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.037 -0.428 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.226 -1.948 7.718 1.00 0.00 H new ATOM 0 HG LEU A 3 1.343 -0.530 9.240 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.061 -0.127 11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.178 -1.737 10.262 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.328 -0.458 9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.119 1.740 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.270 1.683 8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.519 1.617 8.191 1.00 0.00 H new ATOM 89 N ARG A 4 4.134 -3.405 6.362 1.00 0.00 N ATOM 90 CA ARG A 4 4.377 -4.556 5.456 1.00 0.00 C ATOM 91 C ARG A 4 3.175 -5.514 5.371 1.00 0.00 C ATOM 92 O ARG A 4 2.260 -5.418 6.185 1.00 0.00 O ATOM 93 CB ARG A 4 5.641 -5.340 5.868 1.00 0.00 C ATOM 94 CG ARG A 4 6.776 -4.474 6.427 1.00 0.00 C ATOM 95 CD ARG A 4 8.071 -5.275 6.591 1.00 0.00 C ATOM 96 NE ARG A 4 9.196 -4.393 6.956 1.00 0.00 N ATOM 97 CZ ARG A 4 9.431 -3.828 8.136 1.00 0.00 C ATOM 98 NH1 ARG A 4 8.690 -4.086 9.190 1.00 0.00 N ATOM 99 NH2 ARG A 4 10.417 -2.974 8.278 1.00 0.00 N ATOM 0 H ARG A 4 3.955 -3.695 7.323 1.00 0.00 H new ATOM 0 HA ARG A 4 4.528 -4.128 4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.364 -6.081 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.012 -5.887 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.952 -3.630 5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.478 -4.062 7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.937 -6.036 7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.300 -5.797 5.662 1.00 0.00 H new ATOM 0 HE ARG A 4 9.871 -4.194 6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.908 -4.737 9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.897 -3.636 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.008 -2.740 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.592 -2.544 9.186 1.00 0.00 H new ATOM 113 N ILE A 5 3.204 -6.501 4.458 1.00 0.00 N ATOM 114 CA ILE A 5 2.101 -7.471 4.284 1.00 0.00 C ATOM 115 C ILE A 5 1.769 -8.196 5.592 1.00 0.00 C ATOM 116 O ILE A 5 0.602 -8.293 5.965 1.00 0.00 O ATOM 117 CB ILE A 5 2.345 -8.441 3.094 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.050 -8.661 2.285 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.025 -9.777 3.440 1.00 0.00 C ATOM 120 CD1 ILE A 5 -0.023 -9.538 2.932 1.00 0.00 C ATOM 0 H ILE A 5 3.987 -6.651 3.822 1.00 0.00 H new ATOM 0 HA ILE A 5 1.212 -6.899 4.017 1.00 0.00 H new ATOM 0 HB ILE A 5 3.081 -7.927 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.611 -7.686 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.319 -9.104 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.143 -10.371 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.004 -9.584 3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.410 -10.324 4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.881 -9.615 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.383 -10.533 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.336 -9.093 3.876 1.00 0.00 H new ATOM 132 N ARG A 6 2.796 -8.594 6.358 1.00 0.00 N ATOM 133 CA ARG A 6 2.649 -9.199 7.687 1.00 0.00 C ATOM 134 C ARG A 6 1.730 -8.373 8.600 1.00 0.00 C ATOM 135 O ARG A 6 0.916 -8.935 9.327 1.00 0.00 O ATOM 136 CB ARG A 6 4.046 -9.464 8.289 1.00 0.00 C ATOM 137 CG ARG A 6 4.697 -8.238 8.952 1.00 0.00 C ATOM 138 CD ARG A 6 6.181 -8.466 9.263 1.00 0.00 C ATOM 139 NE ARG A 6 6.643 -7.551 10.325 1.00 0.00 N ATOM 140 CZ ARG A 6 7.809 -7.599 10.960 1.00 0.00 C ATOM 141 NH1 ARG A 6 8.780 -8.390 10.569 1.00 0.00 N ATOM 142 NH2 ARG A 6 8.015 -6.842 12.013 1.00 0.00 N ATOM 0 H ARG A 6 3.768 -8.502 6.064 1.00 0.00 H new ATOM 0 HA ARG A 6 2.146 -10.161 7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.964 -10.261 9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.705 -9.828 7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.594 -7.374 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.167 -8.002 9.874 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.337 -9.499 9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.774 -8.312 8.361 1.00 0.00 H new ATOM 0 HE ARG A 6 6.002 -6.806 10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.651 -8.992 9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.664 -8.403 11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.280 -6.217 12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.910 -6.879 12.500 1.00 0.00 H new ATOM 156 N THR A 7 1.827 -7.039 8.519 1.00 0.00 N ATOM 157 CA THR A 7 1.018 -6.066 9.257 1.00 0.00 C ATOM 158 C THR A 7 -0.397 -5.949 8.680 1.00 0.00 C ATOM 159 O THR A 7 -1.344 -5.850 9.454 1.00 0.00 O ATOM 160 CB THR A 7 1.697 -4.684 9.243 1.00 0.00 C ATOM 161 OG1 THR A 7 3.045 -4.780 9.663 1.00 0.00 O ATOM 162 CG2 THR A 7 1.018 -3.675 10.169 1.00 0.00 C ATOM 0 H THR A 7 2.507 -6.589 7.906 1.00 0.00 H new ATOM 0 HA THR A 7 0.937 -6.423 10.284 1.00 0.00 H new ATOM 0 HB THR A 7 1.621 -4.339 8.212 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.457 -3.891 9.645 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.543 -2.721 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.018 -3.537 9.860 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.045 -4.046 11.194 1.00 0.00 H new ATOM 170 N ILE A 8 -0.558 -5.995 7.349 1.00 0.00 N ATOM 171 CA ILE A 8 -1.880 -6.058 6.699 1.00 0.00 C ATOM 172 C ILE A 8 -2.626 -7.306 7.181 1.00 0.00 C ATOM 173 O ILE A 8 -3.752 -7.210 7.664 1.00 0.00 O ATOM 174 CB ILE A 8 -1.786 -6.030 5.151 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.990 -4.797 4.677 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.205 -6.013 4.542 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.835 -4.672 3.159 1.00 0.00 C ATOM 0 H ILE A 8 0.222 -5.990 6.692 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.436 -5.166 6.986 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.262 -6.925 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.482 -3.899 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.002 -4.829 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.134 -5.993 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.746 -6.906 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.738 -5.127 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.262 -3.775 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.313 -5.548 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.820 -4.604 2.697 1.00 0.00 H new ATOM 189 N ALA A 9 -1.986 -8.475 7.089 1.00 0.00 N ATOM 190 CA ALA A 9 -2.572 -9.744 7.500 1.00 0.00 C ATOM 191 C ALA A 9 -2.976 -9.755 8.982 1.00 0.00 C ATOM 192 O ALA A 9 -4.072 -10.215 9.323 1.00 0.00 O ATOM 193 CB ALA A 9 -1.581 -10.859 7.183 1.00 0.00 C ATOM 0 H ALA A 9 -1.038 -8.563 6.723 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.496 -9.899 6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.003 -11.818 7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.379 -10.872 6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.652 -10.685 7.726 1.00 0.00 H new ATOM 199 N ARG A 10 -2.126 -9.177 9.850 1.00 0.00 N ATOM 200 CA ARG A 10 -2.351 -9.018 11.297 1.00 0.00 C ATOM 201 C ARG A 10 -3.705 -8.401 11.666 1.00 0.00 C ATOM 202 O ARG A 10 -4.160 -8.628 12.782 1.00 0.00 O ATOM 203 CB ARG A 10 -1.178 -8.237 11.932 1.00 0.00 C ATOM 204 CG ARG A 10 -1.545 -6.860 12.516 1.00 0.00 C ATOM 205 CD ARG A 10 -0.305 -6.007 12.780 1.00 0.00 C ATOM 206 NE ARG A 10 -0.438 -5.211 14.011 1.00 0.00 N ATOM 207 CZ ARG A 10 -0.337 -5.672 15.251 1.00 0.00 C ATOM 208 NH1 ARG A 10 -0.061 -6.932 15.500 1.00 0.00 N ATOM 209 NH2 ARG A 10 -0.520 -4.868 16.270 1.00 0.00 N ATOM 0 H ARG A 10 -1.230 -8.793 9.551 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.387 -10.025 11.713 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.745 -8.846 12.725 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.404 -8.099 11.177 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.206 -6.337 11.825 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.098 -6.995 13.446 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.570 -6.653 12.858 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.135 -5.341 11.934 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.625 -4.214 13.901 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.082 -7.585 14.729 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.010 -7.258 16.464 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.741 -3.885 16.111 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.442 -5.225 17.222 1.00 0.00 H new ATOM 223 N MET A 11 -4.342 -7.648 10.756 1.00 0.00 N ATOM 224 CA MET A 11 -5.670 -7.054 10.960 1.00 0.00 C ATOM 225 C MET A 11 -6.694 -8.080 11.458 1.00 0.00 C ATOM 226 O MET A 11 -7.565 -7.727 12.248 1.00 0.00 O ATOM 227 CB MET A 11 -6.175 -6.436 9.645 1.00 0.00 C ATOM 228 CG MET A 11 -5.485 -5.114 9.281 1.00 0.00 C ATOM 229 SD MET A 11 -6.480 -3.647 9.667 1.00 0.00 S ATOM 230 CE MET A 11 -5.376 -2.347 9.060 1.00 0.00 C ATOM 0 H MET A 11 -3.941 -7.432 9.843 1.00 0.00 H new ATOM 0 HA MET A 11 -5.564 -6.285 11.725 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.023 -7.150 8.836 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.249 -6.266 9.722 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.536 -5.050 9.814 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.253 -5.116 8.216 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.838 -1.373 9.221 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.429 -2.393 9.598 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.195 -2.491 7.995 1.00 0.00 H new ATOM 240 N THR A 12 -6.593 -9.337 10.995 1.00 0.00 N ATOM 241 CA THR A 12 -7.474 -10.436 11.435 1.00 0.00 C ATOM 242 C THR A 12 -6.826 -11.829 11.422 1.00 0.00 C ATOM 243 O THR A 12 -7.432 -12.776 11.918 1.00 0.00 O ATOM 244 CB THR A 12 -8.720 -10.533 10.536 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.287 -10.931 9.255 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.525 -9.243 10.362 1.00 0.00 C ATOM 0 H THR A 12 -5.898 -9.622 10.305 1.00 0.00 H new ATOM 0 HA THR A 12 -7.716 -10.176 12.465 1.00 0.00 H new ATOM 0 HB THR A 12 -9.388 -11.238 11.032 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.582 -11.849 9.081 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.378 -9.431 9.710 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.880 -8.902 11.334 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.891 -8.476 9.918 1.00 0.00 H new ATOM 254 N GLY A 13 -5.668 -12.009 10.773 1.00 0.00 N ATOM 255 CA GLY A 13 -5.124 -13.315 10.401 1.00 0.00 C ATOM 256 C GLY A 13 -5.903 -14.003 9.270 1.00 0.00 C ATOM 257 O GLY A 13 -5.283 -14.495 8.335 1.00 0.00 O ATOM 0 H GLY A 13 -5.073 -11.231 10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.085 -13.193 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.124 -13.963 11.278 1.00 0.00 H new ATOM 261 N ILE A 14 -7.245 -14.012 9.302 1.00 0.00 N ATOM 262 CA ILE A 14 -8.085 -14.731 8.322 1.00 0.00 C ATOM 263 C ILE A 14 -7.806 -14.283 6.881 1.00 0.00 C ATOM 264 O ILE A 14 -7.813 -15.109 5.969 1.00 0.00 O ATOM 265 CB ILE A 14 -9.603 -14.743 8.689 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.555 -13.810 7.895 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.851 -14.477 10.187 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.884 -14.266 6.461 1.00 0.00 C ATOM 0 H ILE A 14 -7.785 -13.518 10.013 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.784 -15.777 8.377 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.860 -15.761 8.396 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.488 -13.714 8.450 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.108 -12.817 7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.922 -14.496 10.388 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.357 -15.247 10.780 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.449 -13.500 10.454 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.555 -13.545 5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.964 -14.333 5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.366 -15.243 6.491 1.00 0.00 H new ATOM 280 N ARG A 15 -7.513 -12.987 6.669 1.00 0.00 N ATOM 281 CA ARG A 15 -7.118 -12.475 5.350 1.00 0.00 C ATOM 282 C ARG A 15 -5.767 -13.014 4.865 1.00 0.00 C ATOM 283 O ARG A 15 -5.594 -13.055 3.654 1.00 0.00 O ATOM 284 CB ARG A 15 -7.100 -10.935 5.287 1.00 0.00 C ATOM 285 CG ARG A 15 -8.474 -10.250 5.206 1.00 0.00 C ATOM 286 CD ARG A 15 -9.116 -10.021 6.575 1.00 0.00 C ATOM 287 NE ARG A 15 -10.356 -9.226 6.514 1.00 0.00 N ATOM 288 CZ ARG A 15 -11.601 -9.671 6.388 1.00 0.00 C ATOM 289 NH1 ARG A 15 -11.884 -10.949 6.319 1.00 0.00 N ATOM 290 NH2 ARG A 15 -12.599 -8.824 6.315 1.00 0.00 N ATOM 0 H ARG A 15 -7.543 -12.275 7.399 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.892 -12.846 4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.580 -10.561 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.513 -10.633 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.365 -9.292 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.141 -10.860 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.334 -10.986 7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.401 -9.516 7.224 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.245 -8.214 6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.135 -11.640 6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.853 -11.252 6.222 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.420 -7.821 6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.554 -9.168 6.218 1.00 0.00 H new ATOM 304 N GLU A 16 -4.835 -13.446 5.730 1.00 0.00 N ATOM 305 CA GLU A 16 -3.478 -13.884 5.339 1.00 0.00 C ATOM 306 C GLU A 16 -3.556 -14.893 4.189 1.00 0.00 C ATOM 307 O GLU A 16 -3.058 -14.624 3.099 1.00 0.00 O ATOM 308 CB GLU A 16 -2.725 -14.467 6.558 1.00 0.00 C ATOM 309 CG GLU A 16 -1.187 -14.462 6.481 1.00 0.00 C ATOM 310 CD GLU A 16 -0.619 -15.057 5.194 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.573 -16.308 5.107 1.00 0.00 O ATOM 312 OE2 GLU A 16 -0.269 -14.248 4.311 1.00 0.00 O ATOM 0 H GLU A 16 -5.002 -13.503 6.735 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.915 -13.020 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.024 -13.907 7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.056 -15.495 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.834 -13.436 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.791 -15.019 7.330 1.00 0.00 H new ATOM 319 N ALA A 17 -4.308 -15.981 4.395 1.00 0.00 N ATOM 320 CA ALA A 17 -4.549 -17.035 3.413 1.00 0.00 C ATOM 321 C ALA A 17 -5.034 -16.516 2.047 1.00 0.00 C ATOM 322 O ALA A 17 -4.718 -17.132 1.029 1.00 0.00 O ATOM 323 CB ALA A 17 -5.560 -18.016 4.015 1.00 0.00 C ATOM 0 H ALA A 17 -4.780 -16.154 5.282 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.599 -17.526 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.760 -18.816 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.153 -18.441 4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.488 -17.490 4.239 1.00 0.00 H new ATOM 329 N THR A 18 -5.760 -15.389 2.024 1.00 0.00 N ATOM 330 CA THR A 18 -6.220 -14.684 0.823 1.00 0.00 C ATOM 331 C THR A 18 -5.122 -13.781 0.243 1.00 0.00 C ATOM 332 O THR A 18 -4.910 -13.790 -0.964 1.00 0.00 O ATOM 333 CB THR A 18 -7.540 -13.934 1.130 1.00 0.00 C ATOM 334 OG1 THR A 18 -8.526 -14.371 0.224 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.528 -12.405 1.043 1.00 0.00 C ATOM 0 H THR A 18 -6.055 -14.924 2.883 1.00 0.00 H new ATOM 0 HA THR A 18 -6.437 -15.410 0.039 1.00 0.00 H new ATOM 0 HB THR A 18 -7.727 -14.172 2.177 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.369 -13.905 0.408 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.519 -12.019 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.802 -12.006 1.751 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.255 -12.100 0.033 1.00 0.00 H new ATOM 343 N LEU A 19 -4.383 -13.045 1.080 1.00 0.00 N ATOM 344 CA LEU A 19 -3.289 -12.154 0.680 1.00 0.00 C ATOM 345 C LEU A 19 -2.131 -12.931 0.028 1.00 0.00 C ATOM 346 O LEU A 19 -1.753 -12.630 -1.106 1.00 0.00 O ATOM 347 CB LEU A 19 -2.773 -11.381 1.904 1.00 0.00 C ATOM 348 CG LEU A 19 -3.783 -10.460 2.626 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.345 -10.194 4.080 1.00 0.00 C ATOM 350 CD2 LEU A 19 -4.056 -9.154 1.865 1.00 0.00 C ATOM 0 H LEU A 19 -4.535 -13.054 2.089 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.681 -11.456 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.396 -12.104 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.925 -10.773 1.589 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.733 -10.994 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.072 -9.544 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.285 -11.139 4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.368 -9.711 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.773 -8.551 2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.125 -8.598 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.464 -9.385 0.881 1.00 0.00 H new ATOM 362 N ARG A 20 -1.584 -13.949 0.715 1.00 0.00 N ATOM 363 CA ARG A 20 -0.542 -14.829 0.152 1.00 0.00 C ATOM 364 C ARG A 20 -1.028 -15.614 -1.076 1.00 0.00 C ATOM 365 O ARG A 20 -0.241 -15.912 -1.970 1.00 0.00 O ATOM 366 CB ARG A 20 0.031 -15.782 1.216 1.00 0.00 C ATOM 367 CG ARG A 20 -1.033 -16.703 1.840 1.00 0.00 C ATOM 368 CD ARG A 20 -0.556 -18.121 2.144 1.00 0.00 C ATOM 369 NE ARG A 20 -1.621 -19.088 1.819 1.00 0.00 N ATOM 370 CZ ARG A 20 -1.671 -20.367 2.149 1.00 0.00 C ATOM 371 NH1 ARG A 20 -0.771 -20.911 2.933 1.00 0.00 N ATOM 372 NH2 ARG A 20 -2.637 -21.124 1.683 1.00 0.00 N ATOM 0 H ARG A 20 -1.849 -14.185 1.671 1.00 0.00 H new ATOM 0 HA ARG A 20 0.259 -14.171 -0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.812 -16.394 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.502 -15.195 2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.389 -16.249 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.886 -16.759 1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.340 -18.345 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.285 -18.205 3.196 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.408 -18.729 1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.008 -20.344 3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.834 -21.901 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.346 -20.725 1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.678 -22.111 1.936 1.00 0.00 H new ATOM 386 N ALA A 21 -2.331 -15.921 -1.152 1.00 0.00 N ATOM 387 CA ALA A 21 -2.930 -16.467 -2.361 1.00 0.00 C ATOM 388 C ALA A 21 -2.857 -15.427 -3.478 1.00 0.00 C ATOM 389 O ALA A 21 -2.295 -15.725 -4.528 1.00 0.00 O ATOM 390 CB ALA A 21 -4.362 -16.948 -2.104 1.00 0.00 C ATOM 0 H ALA A 21 -2.987 -15.796 -0.381 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.367 -17.345 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.782 -17.350 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.353 -17.725 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.971 -16.111 -1.763 1.00 0.00 H new ATOM 396 N TRP A 22 -3.358 -14.206 -3.255 1.00 0.00 N ATOM 397 CA TRP A 22 -3.281 -13.125 -4.232 1.00 0.00 C ATOM 398 C TRP A 22 -1.859 -12.843 -4.719 1.00 0.00 C ATOM 399 O TRP A 22 -1.707 -12.633 -5.919 1.00 0.00 O ATOM 400 CB TRP A 22 -3.905 -11.840 -3.713 1.00 0.00 C ATOM 401 CG TRP A 22 -5.337 -11.834 -3.290 1.00 0.00 C ATOM 402 CD1 TRP A 22 -6.308 -12.677 -3.701 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.980 -10.887 -2.390 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.504 -12.309 -3.115 1.00 0.00 N ATOM 405 CE2 TRP A 22 -7.372 -11.176 -2.344 1.00 0.00 C ATOM 406 CE3 TRP A 22 -5.528 -9.798 -1.621 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -8.276 -10.410 -1.594 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -6.421 -9.018 -0.865 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.792 -9.322 -0.845 1.00 0.00 C ATOM 0 H TRP A 22 -3.828 -13.944 -2.389 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.856 -13.481 -5.086 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.312 -11.511 -2.860 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.792 -11.085 -4.491 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.172 -13.506 -4.379 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.380 -12.816 -3.239 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.475 -9.557 -1.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -9.329 -10.652 -1.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.050 -8.179 -0.295 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.472 -8.723 -0.257 1.00 0.00 H new ATOM 420 N GLU A 23 -0.830 -12.922 -3.865 1.00 0.00 N ATOM 421 CA GLU A 23 0.588 -12.879 -4.270 1.00 0.00 C ATOM 422 C GLU A 23 0.901 -13.822 -5.451 1.00 0.00 C ATOM 423 O GLU A 23 1.595 -13.417 -6.382 1.00 0.00 O ATOM 424 CB GLU A 23 1.496 -13.111 -3.037 1.00 0.00 C ATOM 425 CG GLU A 23 2.719 -14.018 -3.258 1.00 0.00 C ATOM 426 CD GLU A 23 3.596 -14.095 -2.003 1.00 0.00 C ATOM 427 OE1 GLU A 23 3.259 -14.903 -1.110 1.00 0.00 O ATOM 428 OE2 GLU A 23 4.600 -13.347 -1.959 1.00 0.00 O ATOM 0 H GLU A 23 -0.957 -13.019 -2.858 1.00 0.00 H new ATOM 0 HA GLU A 23 0.805 -11.883 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.847 -12.142 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.889 -13.541 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.386 -15.019 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.309 -13.638 -4.092 1.00 0.00 H new ATOM 435 N ARG A 24 0.351 -15.047 -5.449 1.00 0.00 N ATOM 436 CA ARG A 24 0.485 -16.026 -6.541 1.00 0.00 C ATOM 437 C ARG A 24 -0.653 -15.994 -7.573 1.00 0.00 C ATOM 438 O ARG A 24 -0.495 -16.564 -8.650 1.00 0.00 O ATOM 439 CB ARG A 24 0.638 -17.439 -5.942 1.00 0.00 C ATOM 440 CG ARG A 24 2.119 -17.820 -5.831 1.00 0.00 C ATOM 441 CD ARG A 24 2.292 -19.260 -5.334 1.00 0.00 C ATOM 442 NE ARG A 24 3.683 -19.713 -5.518 1.00 0.00 N ATOM 443 CZ ARG A 24 4.245 -20.811 -5.028 1.00 0.00 C ATOM 444 NH1 ARG A 24 3.592 -21.633 -4.240 1.00 0.00 N ATOM 445 NH2 ARG A 24 5.488 -21.105 -5.330 1.00 0.00 N ATOM 0 H ARG A 24 -0.212 -15.392 -4.671 1.00 0.00 H new ATOM 0 HA ARG A 24 1.378 -15.745 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.173 -17.475 -4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.116 -18.164 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.598 -17.709 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.622 -17.135 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.021 -19.321 -4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.615 -19.920 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 24 4.282 -19.114 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.624 -21.436 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.053 -22.469 -3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.023 -20.489 -5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.919 -21.949 -4.953 1.00 0.00 H new ATOM 459 N ARG A 25 -1.784 -15.350 -7.263 1.00 0.00 N ATOM 460 CA ARG A 25 -3.033 -15.398 -8.044 1.00 0.00 C ATOM 461 C ARG A 25 -3.274 -14.139 -8.896 1.00 0.00 C ATOM 462 O ARG A 25 -3.896 -14.256 -9.945 1.00 0.00 O ATOM 463 CB ARG A 25 -4.177 -15.683 -7.054 1.00 0.00 C ATOM 464 CG ARG A 25 -5.473 -16.267 -7.622 1.00 0.00 C ATOM 465 CD ARG A 25 -6.428 -16.497 -6.435 1.00 0.00 C ATOM 466 NE ARG A 25 -7.809 -16.778 -6.864 1.00 0.00 N ATOM 467 CZ ARG A 25 -8.729 -17.441 -6.171 1.00 0.00 C ATOM 468 NH1 ARG A 25 -8.507 -17.881 -4.952 1.00 0.00 N ATOM 469 NH2 ARG A 25 -9.909 -17.672 -6.694 1.00 0.00 N ATOM 0 H ARG A 25 -1.861 -14.760 -6.434 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.970 -16.195 -8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.802 -16.370 -6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.422 -14.750 -6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.917 -15.585 -8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.276 -17.203 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.061 -17.330 -5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.423 -15.616 -5.794 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.086 -16.430 -7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.604 -17.717 -4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.238 -18.386 -4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.123 -17.343 -7.635 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.613 -18.181 -6.160 1.00 0.00 H new ATOM 483 N TYR A 26 -2.768 -12.967 -8.475 1.00 0.00 N ATOM 484 CA TYR A 26 -2.900 -11.674 -9.180 1.00 0.00 C ATOM 485 C TYR A 26 -1.726 -10.705 -8.953 1.00 0.00 C ATOM 486 O TYR A 26 -1.328 -10.002 -9.878 1.00 0.00 O ATOM 487 CB TYR A 26 -4.175 -10.932 -8.731 1.00 0.00 C ATOM 488 CG TYR A 26 -5.436 -11.763 -8.744 1.00 0.00 C ATOM 489 CD1 TYR A 26 -6.120 -11.997 -9.952 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.876 -12.362 -7.551 1.00 0.00 C ATOM 491 CE1 TYR A 26 -7.233 -12.856 -9.974 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.979 -13.229 -7.575 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.658 -13.485 -8.785 1.00 0.00 C ATOM 494 OH TYR A 26 -8.711 -14.347 -8.812 1.00 0.00 O ATOM 0 H TYR A 26 -2.238 -12.888 -7.607 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.929 -11.946 -10.235 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.019 -10.551 -7.722 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.321 -10.067 -9.379 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.790 -11.517 -10.861 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.368 -12.156 -6.621 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.761 -13.034 -10.899 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.310 -13.703 -6.663 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.452 -15.165 -9.284 1.00 0.00 H new ATOM 504 N GLY A 27 -1.231 -10.619 -7.713 1.00 0.00 N ATOM 505 CA GLY A 27 -0.199 -9.695 -7.247 1.00 0.00 C ATOM 506 C GLY A 27 -0.712 -8.550 -6.361 1.00 0.00 C ATOM 507 O GLY A 27 0.109 -7.829 -5.814 1.00 0.00 O ATOM 0 H GLY A 27 -1.562 -11.230 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.549 -10.259 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.304 -9.267 -8.114 1.00 0.00 H new ATOM 511 N PHE A 28 -2.032 -8.368 -6.210 1.00 0.00 N ATOM 512 CA PHE A 28 -2.650 -7.377 -5.314 1.00 0.00 C ATOM 513 C PHE A 28 -2.729 -7.894 -3.859 1.00 0.00 C ATOM 514 O PHE A 28 -3.049 -9.058 -3.665 1.00 0.00 O ATOM 515 CB PHE A 28 -4.061 -7.068 -5.838 1.00 0.00 C ATOM 516 CG PHE A 28 -4.982 -6.311 -4.892 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.768 -7.014 -3.957 1.00 0.00 C ATOM 518 CD2 PHE A 28 -5.095 -4.911 -4.976 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.712 -6.337 -3.166 1.00 0.00 C ATOM 520 CE2 PHE A 28 -6.020 -4.231 -4.167 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.845 -4.945 -3.281 1.00 0.00 C ATOM 0 H PHE A 28 -2.719 -8.921 -6.722 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.036 -6.476 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.965 -6.490 -6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.542 -8.010 -6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.644 -8.081 -3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.470 -4.359 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.332 -6.886 -2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.098 -3.155 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.581 -4.422 -2.689 1.00 0.00 H new ATOM 531 N PRO A 29 -2.529 -7.059 -2.823 1.00 0.00 N ATOM 532 CA PRO A 29 -1.890 -5.759 -2.919 1.00 0.00 C ATOM 533 C PRO A 29 -0.426 -5.950 -3.326 1.00 0.00 C ATOM 534 O PRO A 29 0.243 -6.877 -2.857 1.00 0.00 O ATOM 535 CB PRO A 29 -2.038 -5.140 -1.535 1.00 0.00 C ATOM 536 CG PRO A 29 -2.071 -6.348 -0.590 1.00 0.00 C ATOM 537 CD PRO A 29 -2.756 -7.420 -1.432 1.00 0.00 C ATOM 0 HA PRO A 29 -2.334 -5.107 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.206 -4.475 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.950 -4.548 -1.458 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.069 -6.651 -0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.628 -6.133 0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.345 -8.406 -1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.823 -7.464 -1.212 1.00 0.00 H new ATOM 545 N ARG A 30 0.068 -5.070 -4.197 1.00 0.00 N ATOM 546 CA ARG A 30 1.402 -5.170 -4.792 1.00 0.00 C ATOM 547 C ARG A 30 2.461 -4.523 -3.887 1.00 0.00 C ATOM 548 O ARG A 30 2.475 -3.294 -3.774 1.00 0.00 O ATOM 549 CB ARG A 30 1.434 -4.621 -6.227 1.00 0.00 C ATOM 550 CG ARG A 30 0.605 -3.347 -6.451 1.00 0.00 C ATOM 551 CD ARG A 30 1.147 -2.519 -7.612 1.00 0.00 C ATOM 552 NE ARG A 30 2.286 -1.709 -7.154 1.00 0.00 N ATOM 553 CZ ARG A 30 3.032 -0.901 -7.889 1.00 0.00 C ATOM 554 NH1 ARG A 30 2.915 -0.854 -9.197 1.00 0.00 N ATOM 555 NH2 ARG A 30 3.909 -0.114 -7.313 1.00 0.00 N ATOM 0 H ARG A 30 -0.456 -4.254 -4.514 1.00 0.00 H new ATOM 0 HA ARG A 30 1.653 -6.228 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.469 -4.416 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.074 -5.395 -6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.432 -3.618 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.609 -2.746 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.458 -3.175 -8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.364 -1.872 -8.007 1.00 0.00 H new ATOM 0 HE ARG A 30 2.526 -1.778 -6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.236 -1.450 -9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.503 -0.221 -9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.016 -0.125 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.484 0.509 -7.879 1.00 0.00 H new ATOM 569 N PRO A 31 3.363 -5.313 -3.265 1.00 0.00 N ATOM 570 CA PRO A 31 4.410 -4.794 -2.390 1.00 0.00 C ATOM 571 C PRO A 31 5.371 -3.893 -3.176 1.00 0.00 C ATOM 572 O PRO A 31 6.141 -4.377 -4.013 1.00 0.00 O ATOM 573 CB PRO A 31 5.105 -6.020 -1.793 1.00 0.00 C ATOM 574 CG PRO A 31 4.787 -7.175 -2.734 1.00 0.00 C ATOM 575 CD PRO A 31 3.490 -6.761 -3.414 1.00 0.00 C ATOM 0 HA PRO A 31 4.009 -4.166 -1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.181 -5.862 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.741 -6.224 -0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.585 -7.328 -3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.669 -8.111 -2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.503 -7.039 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.639 -7.270 -2.961 1.00 0.00 H new ATOM 583 N LEU A 32 5.294 -2.577 -2.933 1.00 0.00 N ATOM 584 CA LEU A 32 6.144 -1.587 -3.596 1.00 0.00 C ATOM 585 C LEU A 32 7.611 -1.733 -3.161 1.00 0.00 C ATOM 586 O LEU A 32 7.924 -2.316 -2.120 1.00 0.00 O ATOM 587 CB LEU A 32 5.621 -0.135 -3.425 1.00 0.00 C ATOM 588 CG LEU A 32 5.000 0.251 -2.065 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.264 1.716 -1.711 1.00 0.00 C ATOM 590 CD2 LEU A 32 3.476 0.059 -2.089 1.00 0.00 C ATOM 0 H LEU A 32 4.636 -2.171 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 32 6.097 -1.794 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.451 0.545 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.874 0.045 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 32 5.465 -0.398 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.810 1.945 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.339 1.889 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.832 2.359 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.059 0.337 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.042 0.689 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.244 -0.985 -2.298 1.00 0.00 H new ATOM 602 N ARG A 33 8.515 -1.182 -3.983 1.00 0.00 N ATOM 603 CA ARG A 33 9.961 -1.162 -3.734 1.00 0.00 C ATOM 604 C ARG A 33 10.309 -0.495 -2.398 1.00 0.00 C ATOM 605 O ARG A 33 9.486 0.133 -1.729 1.00 0.00 O ATOM 606 CB ARG A 33 10.697 -0.503 -4.919 1.00 0.00 C ATOM 607 CG ARG A 33 11.052 -1.544 -5.992 1.00 0.00 C ATOM 608 CD ARG A 33 11.794 -0.924 -7.183 1.00 0.00 C ATOM 609 NE ARG A 33 10.869 -0.308 -8.154 1.00 0.00 N ATOM 610 CZ ARG A 33 11.175 0.127 -9.371 1.00 0.00 C ATOM 611 NH1 ARG A 33 12.413 0.142 -9.813 1.00 0.00 N ATOM 612 NH2 ARG A 33 10.232 0.551 -10.178 1.00 0.00 N ATOM 0 H ARG A 33 8.254 -0.728 -4.858 1.00 0.00 H new ATOM 0 HA ARG A 33 10.303 -2.194 -3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.070 0.275 -5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.606 -0.017 -4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.671 -2.324 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.139 -2.024 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.494 -0.170 -6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.384 -1.693 -7.682 1.00 0.00 H new ATOM 0 HE ARG A 33 9.897 -0.206 -7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.172 -0.187 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.615 0.482 -10.753 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.259 0.548 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.472 0.884 -11.112 1.00 0.00 H new ATOM 626 N SER A 34 11.544 -0.699 -1.950 1.00 0.00 N ATOM 627 CA SER A 34 12.035 -0.254 -0.646 1.00 0.00 C ATOM 628 C SER A 34 13.565 -0.206 -0.651 1.00 0.00 C ATOM 629 O SER A 34 14.189 -0.422 -1.690 1.00 0.00 O ATOM 630 CB SER A 34 11.506 -1.198 0.442 1.00 0.00 C ATOM 631 OG SER A 34 10.103 -1.080 0.525 1.00 0.00 O ATOM 0 H SER A 34 12.251 -1.191 -2.497 1.00 0.00 H new ATOM 0 HA SER A 34 11.673 0.752 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.782 -2.227 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.960 -0.954 1.403 1.00 0.00 H new ATOM 0 HG SER A 34 9.799 -0.367 -0.074 1.00 0.00 H new ATOM 637 N GLU A 35 14.153 0.116 0.502 1.00 0.00 N ATOM 638 CA GLU A 35 15.598 0.097 0.727 1.00 0.00 C ATOM 639 C GLU A 35 16.194 -1.330 0.725 1.00 0.00 C ATOM 640 O GLU A 35 15.497 -2.306 0.459 1.00 0.00 O ATOM 641 CB GLU A 35 15.896 0.838 2.043 1.00 0.00 C ATOM 642 CG GLU A 35 16.957 1.922 1.832 1.00 0.00 C ATOM 643 CD GLU A 35 17.605 2.282 3.167 1.00 0.00 C ATOM 644 OE1 GLU A 35 18.614 1.620 3.487 1.00 0.00 O ATOM 645 OE2 GLU A 35 17.056 3.171 3.858 1.00 0.00 O ATOM 0 H GLU A 35 13.624 0.404 1.325 1.00 0.00 H new ATOM 0 HA GLU A 35 16.084 0.606 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.981 1.289 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.240 0.128 2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.715 1.570 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.502 2.807 1.388 1.00 0.00 H new ATOM 652 N GLY A 36 17.498 -1.460 1.019 1.00 0.00 N ATOM 653 CA GLY A 36 18.247 -2.720 0.922 1.00 0.00 C ATOM 654 C GLY A 36 17.718 -3.837 1.831 1.00 0.00 C ATOM 655 O GLY A 36 17.135 -4.809 1.356 1.00 0.00 O ATOM 0 H GLY A 36 18.070 -0.677 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.223 -3.066 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.291 -2.529 1.170 1.00 0.00 H new ATOM 659 N ASN A 37 17.944 -3.722 3.145 1.00 0.00 N ATOM 660 CA ASN A 37 17.431 -4.669 4.144 1.00 0.00 C ATOM 661 C ASN A 37 15.963 -4.411 4.525 1.00 0.00 C ATOM 662 O ASN A 37 15.310 -5.293 5.082 1.00 0.00 O ATOM 663 CB ASN A 37 18.314 -4.589 5.399 1.00 0.00 C ATOM 664 CG ASN A 37 18.312 -3.188 5.989 1.00 0.00 C ATOM 665 OD1 ASN A 37 18.960 -2.293 5.475 1.00 0.00 O ATOM 666 ND2 ASN A 37 17.540 -2.935 7.025 1.00 0.00 N ATOM 0 H ASN A 37 18.493 -2.963 3.549 1.00 0.00 H new ATOM 0 HA ASN A 37 17.466 -5.664 3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.956 -5.300 6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.334 -4.878 5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.483 -1.988 7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.999 -3.686 7.453 1.00 0.00 H new ATOM 673 N ASN A 38 15.440 -3.207 4.264 1.00 0.00 N ATOM 674 CA ASN A 38 14.044 -2.878 4.515 1.00 0.00 C ATOM 675 C ASN A 38 13.169 -3.578 3.469 1.00 0.00 C ATOM 676 O ASN A 38 12.972 -3.037 2.384 1.00 0.00 O ATOM 677 CB ASN A 38 13.851 -1.349 4.512 1.00 0.00 C ATOM 678 CG ASN A 38 12.462 -0.933 4.985 1.00 0.00 C ATOM 679 OD1 ASN A 38 12.298 -0.321 6.030 1.00 0.00 O ATOM 680 ND2 ASN A 38 11.405 -1.270 4.271 1.00 0.00 N ATOM 0 H ASN A 38 15.980 -2.436 3.872 1.00 0.00 H new ATOM 0 HA ASN A 38 13.742 -3.234 5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.602 -0.890 5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.017 -0.967 3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.470 -1.020 4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.522 -1.781 3.396 1.00 0.00 H new ATOM 687 N TYR A 39 12.614 -4.747 3.810 1.00 0.00 N ATOM 688 CA TYR A 39 11.714 -5.501 2.929 1.00 0.00 C ATOM 689 C TYR A 39 10.594 -4.624 2.352 1.00 0.00 C ATOM 690 O TYR A 39 10.214 -3.611 2.949 1.00 0.00 O ATOM 691 CB TYR A 39 11.077 -6.693 3.667 1.00 0.00 C ATOM 692 CG TYR A 39 11.904 -7.323 4.771 1.00 0.00 C ATOM 693 CD1 TYR A 39 13.195 -7.815 4.502 1.00 0.00 C ATOM 694 CD2 TYR A 39 11.380 -7.393 6.077 1.00 0.00 C ATOM 695 CE1 TYR A 39 13.971 -8.364 5.541 1.00 0.00 C ATOM 696 CE2 TYR A 39 12.150 -7.942 7.117 1.00 0.00 C ATOM 697 CZ TYR A 39 13.448 -8.425 6.852 1.00 0.00 C ATOM 698 OH TYR A 39 14.186 -8.947 7.866 1.00 0.00 O ATOM 0 H TYR A 39 12.777 -5.199 4.710 1.00 0.00 H new ATOM 0 HA TYR A 39 12.333 -5.864 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.130 -6.363 4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.843 -7.464 2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.591 -7.771 3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.385 -7.024 6.279 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.963 -8.737 5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.748 -7.994 8.118 1.00 0.00 H new ATOM 0 HH TYR A 39 13.671 -8.909 8.699 1.00 0.00 H new ATOM 708 N ARG A 40 10.030 -5.065 1.220 1.00 0.00 N ATOM 709 CA ARG A 40 8.960 -4.360 0.516 1.00 0.00 C ATOM 710 C ARG A 40 7.773 -4.047 1.436 1.00 0.00 C ATOM 711 O ARG A 40 7.407 -4.844 2.304 1.00 0.00 O ATOM 712 CB ARG A 40 8.488 -5.168 -0.693 1.00 0.00 C ATOM 713 CG ARG A 40 9.570 -5.488 -1.732 1.00 0.00 C ATOM 714 CD ARG A 40 8.899 -5.973 -3.026 1.00 0.00 C ATOM 715 NE ARG A 40 9.716 -6.954 -3.759 1.00 0.00 N ATOM 716 CZ ARG A 40 9.340 -7.591 -4.861 1.00 0.00 C ATOM 717 NH1 ARG A 40 8.239 -7.265 -5.501 1.00 0.00 N ATOM 718 NH2 ARG A 40 10.066 -8.578 -5.333 1.00 0.00 N ATOM 0 H ARG A 40 10.310 -5.933 0.764 1.00 0.00 H new ATOM 0 HA ARG A 40 9.373 -3.411 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.060 -6.106 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.686 -4.618 -1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.174 -4.602 -1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.244 -6.254 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.934 -6.419 -2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.702 -5.117 -3.671 1.00 0.00 H new ATOM 0 HE ARG A 40 10.645 -7.161 -3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.652 -6.507 -5.153 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.972 -7.770 -6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.921 -8.857 -4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.775 -9.066 -6.180 1.00 0.00 H new ATOM 732 N VAL A 41 7.163 -2.884 1.212 1.00 0.00 N ATOM 733 CA VAL A 41 6.107 -2.309 2.055 1.00 0.00 C ATOM 734 C VAL A 41 4.866 -1.956 1.233 1.00 0.00 C ATOM 735 O VAL A 41 4.765 -2.283 0.049 1.00 0.00 O ATOM 736 CB VAL A 41 6.635 -1.115 2.891 1.00 0.00 C ATOM 737 CG1 VAL A 41 7.653 -1.559 3.955 1.00 0.00 C ATOM 738 CG2 VAL A 41 7.175 0.029 2.030 1.00 0.00 C ATOM 0 H VAL A 41 7.395 -2.294 0.413 1.00 0.00 H new ATOM 0 HA VAL A 41 5.796 -3.071 2.770 1.00 0.00 H new ATOM 0 HB VAL A 41 5.769 -0.715 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.995 -0.690 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.182 -2.268 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.504 -2.035 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.529 0.834 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.000 -0.335 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.381 0.404 1.384 1.00 0.00 H new ATOM 748 N TYR A 42 3.887 -1.345 1.901 1.00 0.00 N ATOM 749 CA TYR A 42 2.567 -1.043 1.368 1.00 0.00 C ATOM 750 C TYR A 42 2.172 0.404 1.666 1.00 0.00 C ATOM 751 O TYR A 42 2.773 1.067 2.509 1.00 0.00 O ATOM 752 CB TYR A 42 1.572 -2.045 1.955 1.00 0.00 C ATOM 753 CG TYR A 42 1.796 -3.438 1.404 1.00 0.00 C ATOM 754 CD1 TYR A 42 2.818 -4.259 1.914 1.00 0.00 C ATOM 755 CD2 TYR A 42 1.024 -3.876 0.320 1.00 0.00 C ATOM 756 CE1 TYR A 42 3.085 -5.511 1.334 1.00 0.00 C ATOM 757 CE2 TYR A 42 1.258 -5.144 -0.223 1.00 0.00 C ATOM 758 CZ TYR A 42 2.266 -5.979 0.284 1.00 0.00 C ATOM 759 OH TYR A 42 2.446 -7.214 -0.255 1.00 0.00 O ATOM 0 H TYR A 42 4.001 -1.036 2.866 1.00 0.00 H new ATOM 0 HA TYR A 42 2.569 -1.139 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.669 -2.062 3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.555 -1.723 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.402 -3.924 2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.255 -3.240 -0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.910 -6.110 1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.651 -5.487 -1.048 1.00 0.00 H new ATOM 0 HH TYR A 42 1.787 -7.360 -0.966 1.00 0.00 H new ATOM 769 N SER A 43 1.140 0.888 0.969 1.00 0.00 N ATOM 770 CA SER A 43 0.589 2.233 1.140 1.00 0.00 C ATOM 771 C SER A 43 -0.864 2.176 1.603 1.00 0.00 C ATOM 772 O SER A 43 -1.555 1.169 1.421 1.00 0.00 O ATOM 773 CB SER A 43 0.722 3.021 -0.167 1.00 0.00 C ATOM 774 OG SER A 43 2.071 3.397 -0.334 1.00 0.00 O ATOM 0 H SER A 43 0.655 0.344 0.256 1.00 0.00 H new ATOM 0 HA SER A 43 1.157 2.747 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.392 2.413 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.084 3.904 -0.142 1.00 0.00 H new ATOM 0 HG SER A 43 2.169 3.901 -1.169 1.00 0.00 H new ATOM 780 N ARG A 44 -1.332 3.288 2.188 1.00 0.00 N ATOM 781 CA ARG A 44 -2.691 3.410 2.724 1.00 0.00 C ATOM 782 C ARG A 44 -3.752 3.143 1.653 1.00 0.00 C ATOM 783 O ARG A 44 -4.738 2.492 1.960 1.00 0.00 O ATOM 784 CB ARG A 44 -2.895 4.789 3.386 1.00 0.00 C ATOM 785 CG ARG A 44 -3.690 4.702 4.702 1.00 0.00 C ATOM 786 CD ARG A 44 -2.762 4.424 5.895 1.00 0.00 C ATOM 787 NE ARG A 44 -3.511 4.308 7.161 1.00 0.00 N ATOM 788 CZ ARG A 44 -3.019 4.400 8.393 1.00 0.00 C ATOM 789 NH1 ARG A 44 -1.747 4.642 8.619 1.00 0.00 N ATOM 790 NH2 ARG A 44 -3.804 4.248 9.434 1.00 0.00 N ATOM 0 H ARG A 44 -0.772 4.133 2.302 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.814 2.644 3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.923 5.241 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.418 5.447 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.229 5.635 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.437 3.912 4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.207 3.503 5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.029 5.226 5.979 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.514 4.139 7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.104 4.766 7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.402 4.706 9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.797 4.058 9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.421 4.320 10.377 1.00 0.00 H new ATOM 804 N GLU A 45 -3.518 3.584 0.412 1.00 0.00 N ATOM 805 CA GLU A 45 -4.362 3.333 -0.766 1.00 0.00 C ATOM 806 C GLU A 45 -4.504 1.843 -1.130 1.00 0.00 C ATOM 807 O GLU A 45 -5.603 1.394 -1.456 1.00 0.00 O ATOM 808 CB GLU A 45 -3.833 4.134 -1.972 1.00 0.00 C ATOM 809 CG GLU A 45 -2.328 3.937 -2.254 1.00 0.00 C ATOM 810 CD GLU A 45 -1.910 4.447 -3.637 1.00 0.00 C ATOM 811 OE1 GLU A 45 -2.507 3.978 -4.630 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.966 5.267 -3.680 1.00 0.00 O ATOM 0 H GLU A 45 -2.700 4.151 0.189 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.364 3.670 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.398 3.848 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.023 5.194 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.749 4.456 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.084 2.878 -2.174 1.00 0.00 H new ATOM 819 N GLU A 46 -3.425 1.058 -1.031 1.00 0.00 N ATOM 820 CA GLU A 46 -3.487 -0.391 -1.227 1.00 0.00 C ATOM 821 C GLU A 46 -4.293 -1.017 -0.091 1.00 0.00 C ATOM 822 O GLU A 46 -5.272 -1.719 -0.337 1.00 0.00 O ATOM 823 CB GLU A 46 -2.073 -1.005 -1.318 1.00 0.00 C ATOM 824 CG GLU A 46 -1.565 -1.145 -2.763 1.00 0.00 C ATOM 825 CD GLU A 46 -2.245 -2.284 -3.542 1.00 0.00 C ATOM 826 OE1 GLU A 46 -3.430 -2.576 -3.280 1.00 0.00 O ATOM 827 OE2 GLU A 46 -1.556 -2.899 -4.386 1.00 0.00 O ATOM 0 H GLU A 46 -2.492 1.408 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.984 -0.602 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.377 -0.384 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.079 -1.987 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.729 -0.205 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.489 -1.318 -2.747 1.00 0.00 H new ATOM 834 N VAL A 47 -3.935 -0.706 1.161 1.00 0.00 N ATOM 835 CA VAL A 47 -4.685 -1.172 2.332 1.00 0.00 C ATOM 836 C VAL A 47 -6.163 -0.743 2.296 1.00 0.00 C ATOM 837 O VAL A 47 -7.009 -1.517 2.731 1.00 0.00 O ATOM 838 CB VAL A 47 -3.966 -0.772 3.637 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.790 -1.124 4.883 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.601 -1.479 3.733 1.00 0.00 C ATOM 0 H VAL A 47 -3.125 -0.130 1.389 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.707 -2.261 2.301 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.833 0.309 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.244 -0.824 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.745 -0.599 4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.968 -2.199 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.105 -1.188 4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.749 -2.559 3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.982 -1.192 2.883 1.00 0.00 H new ATOM 850 N GLU A 48 -6.504 0.430 1.750 1.00 0.00 N ATOM 851 CA GLU A 48 -7.879 0.893 1.516 1.00 0.00 C ATOM 852 C GLU A 48 -8.651 -0.092 0.637 1.00 0.00 C ATOM 853 O GLU A 48 -9.656 -0.663 1.076 1.00 0.00 O ATOM 854 CB GLU A 48 -7.870 2.305 0.892 1.00 0.00 C ATOM 855 CG GLU A 48 -9.250 2.974 0.841 1.00 0.00 C ATOM 856 CD GLU A 48 -9.552 3.738 2.132 1.00 0.00 C ATOM 857 OE1 GLU A 48 -9.504 3.087 3.209 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.802 4.954 2.059 1.00 0.00 O ATOM 0 H GLU A 48 -5.805 1.109 1.447 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.391 0.945 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.191 2.939 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.471 2.241 -0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.292 3.658 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.017 2.217 0.678 1.00 0.00 H new ATOM 865 N ALA A 49 -8.155 -0.316 -0.588 1.00 0.00 N ATOM 866 CA ALA A 49 -8.724 -1.289 -1.506 1.00 0.00 C ATOM 867 C ALA A 49 -8.791 -2.672 -0.850 1.00 0.00 C ATOM 868 O ALA A 49 -9.856 -3.278 -0.832 1.00 0.00 O ATOM 869 CB ALA A 49 -7.915 -1.292 -2.806 1.00 0.00 C ATOM 0 H ALA A 49 -7.345 0.179 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.749 -1.014 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.339 -2.021 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.949 -0.301 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.880 -1.557 -2.590 1.00 0.00 H new ATOM 875 N VAL A 50 -7.691 -3.154 -0.259 1.00 0.00 N ATOM 876 CA VAL A 50 -7.610 -4.464 0.404 1.00 0.00 C ATOM 877 C VAL A 50 -8.636 -4.613 1.518 1.00 0.00 C ATOM 878 O VAL A 50 -9.324 -5.628 1.540 1.00 0.00 O ATOM 879 CB VAL A 50 -6.205 -4.719 0.957 1.00 0.00 C ATOM 880 CG1 VAL A 50 -6.111 -5.997 1.804 1.00 0.00 C ATOM 881 CG2 VAL A 50 -5.202 -4.848 -0.180 1.00 0.00 C ATOM 0 H VAL A 50 -6.814 -2.635 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.834 -5.209 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.980 -3.863 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.090 -6.120 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.790 -5.921 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.386 -6.858 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.208 -5.029 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.486 -5.681 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.192 -3.927 -0.762 1.00 0.00 H new ATOM 891 N ARG A 51 -8.768 -3.634 2.426 1.00 0.00 N ATOM 892 CA ARG A 51 -9.794 -3.633 3.478 1.00 0.00 C ATOM 893 C ARG A 51 -11.188 -3.788 2.877 1.00 0.00 C ATOM 894 O ARG A 51 -11.950 -4.641 3.341 1.00 0.00 O ATOM 895 CB ARG A 51 -9.713 -2.352 4.328 1.00 0.00 C ATOM 896 CG ARG A 51 -8.668 -2.441 5.452 1.00 0.00 C ATOM 897 CD ARG A 51 -8.766 -1.259 6.431 1.00 0.00 C ATOM 898 NE ARG A 51 -8.069 -0.050 5.955 1.00 0.00 N ATOM 899 CZ ARG A 51 -8.549 0.944 5.218 1.00 0.00 C ATOM 900 NH1 ARG A 51 -9.775 0.985 4.766 1.00 0.00 N ATOM 901 NH2 ARG A 51 -7.795 1.960 4.883 1.00 0.00 N ATOM 0 H ARG A 51 -8.161 -2.815 2.450 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.604 -4.486 4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.472 -1.508 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.691 -2.150 4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.803 -3.375 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.669 -2.468 5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.816 -1.022 6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.348 -1.557 7.393 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.090 0.033 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.422 0.224 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.085 1.778 4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.823 1.996 5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.180 2.716 4.316 1.00 0.00 H new ATOM 915 N ARG A 52 -11.506 -3.002 1.834 1.00 0.00 N ATOM 916 CA ARG A 52 -12.771 -3.127 1.103 1.00 0.00 C ATOM 917 C ARG A 52 -12.929 -4.531 0.517 1.00 0.00 C ATOM 918 O ARG A 52 -13.886 -5.213 0.872 1.00 0.00 O ATOM 919 CB ARG A 52 -12.899 -2.054 0.009 1.00 0.00 C ATOM 920 CG ARG A 52 -14.360 -1.992 -0.469 1.00 0.00 C ATOM 921 CD ARG A 52 -14.521 -1.543 -1.930 1.00 0.00 C ATOM 922 NE ARG A 52 -15.266 -0.278 -2.052 1.00 0.00 N ATOM 923 CZ ARG A 52 -16.542 -0.061 -1.748 1.00 0.00 C ATOM 924 NH1 ARG A 52 -17.326 -1.010 -1.288 1.00 0.00 N ATOM 925 NH2 ARG A 52 -17.052 1.138 -1.898 1.00 0.00 N ATOM 0 H ARG A 52 -10.895 -2.267 1.478 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.580 -2.966 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.589 -1.084 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.240 -2.289 -0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.812 -2.977 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.913 -1.307 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.536 -1.426 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.038 -2.321 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.744 0.522 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.960 -1.953 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.300 -0.804 -1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.470 1.900 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.030 1.309 -1.666 1.00 0.00 H new ATOM 939 N VAL A 53 -11.999 -4.952 -0.348 1.00 0.00 N ATOM 940 CA VAL A 53 -11.963 -6.265 -1.006 1.00 0.00 C ATOM 941 C VAL A 53 -12.161 -7.371 0.032 1.00 0.00 C ATOM 942 O VAL A 53 -13.113 -8.130 -0.073 1.00 0.00 O ATOM 943 CB VAL A 53 -10.672 -6.435 -1.848 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.540 -7.857 -2.403 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.619 -5.449 -3.031 1.00 0.00 C ATOM 0 H VAL A 53 -11.215 -4.360 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.788 -6.339 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.846 -6.228 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.623 -7.936 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.507 -8.568 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.396 -8.080 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.698 -5.604 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.475 -5.618 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.646 -4.427 -2.654 1.00 0.00 H new ATOM 955 N ALA A 54 -11.340 -7.426 1.080 1.00 0.00 N ATOM 956 CA ALA A 54 -11.422 -8.394 2.168 1.00 0.00 C ATOM 957 C ALA A 54 -12.787 -8.444 2.878 1.00 0.00 C ATOM 958 O ALA A 54 -13.261 -9.533 3.217 1.00 0.00 O ATOM 959 CB ALA A 54 -10.324 -8.048 3.169 1.00 0.00 C ATOM 0 H ALA A 54 -10.568 -6.769 1.197 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.294 -9.387 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.354 -8.753 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.353 -8.107 2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.480 -7.037 3.545 1.00 0.00 H new ATOM 965 N ARG A 55 -13.429 -7.290 3.118 1.00 0.00 N ATOM 966 CA ARG A 55 -14.809 -7.238 3.624 1.00 0.00 C ATOM 967 C ARG A 55 -15.797 -7.782 2.582 1.00 0.00 C ATOM 968 O ARG A 55 -16.651 -8.586 2.934 1.00 0.00 O ATOM 969 CB ARG A 55 -15.161 -5.802 4.046 1.00 0.00 C ATOM 970 CG ARG A 55 -16.415 -5.741 4.940 1.00 0.00 C ATOM 971 CD ARG A 55 -16.103 -5.745 6.449 1.00 0.00 C ATOM 972 NE ARG A 55 -16.563 -4.495 7.086 1.00 0.00 N ATOM 973 CZ ARG A 55 -16.714 -4.239 8.380 1.00 0.00 C ATOM 974 NH1 ARG A 55 -16.380 -5.105 9.308 1.00 0.00 N ATOM 975 NH2 ARG A 55 -17.211 -3.086 8.766 1.00 0.00 N ATOM 0 H ARG A 55 -13.009 -6.373 2.968 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.886 -7.878 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.316 -5.366 4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.323 -5.194 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.979 -4.841 4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -17.057 -6.591 4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.588 -6.599 6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.030 -5.862 6.602 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.794 -3.731 6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.990 -6.010 9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.511 -4.873 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.480 -2.389 8.072 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.328 -2.888 9.760 1.00 0.00 H new ATOM 989 N LEU A 56 -15.637 -7.409 1.310 1.00 0.00 N ATOM 990 CA LEU A 56 -16.405 -7.926 0.173 1.00 0.00 C ATOM 991 C LEU A 56 -16.265 -9.465 0.022 1.00 0.00 C ATOM 992 O LEU A 56 -17.246 -10.154 -0.255 1.00 0.00 O ATOM 993 CB LEU A 56 -15.952 -7.180 -1.106 1.00 0.00 C ATOM 994 CG LEU A 56 -16.998 -6.386 -1.912 1.00 0.00 C ATOM 995 CD1 LEU A 56 -18.354 -7.078 -2.047 1.00 0.00 C ATOM 996 CD2 LEU A 56 -17.195 -4.982 -1.334 1.00 0.00 C ATOM 0 H LEU A 56 -14.944 -6.714 1.033 1.00 0.00 H new ATOM 0 HA LEU A 56 -17.465 -7.743 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.160 -6.488 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.507 -7.915 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.581 -6.323 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.027 -6.448 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.225 -8.035 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.778 -7.245 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.939 -4.447 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.537 -5.058 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.250 -4.440 -1.364 1.00 0.00 H new ATOM 1008 N ILE A 57 -15.070 -10.035 0.257 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.845 -11.492 0.319 1.00 0.00 C ATOM 1010 C ILE A 57 -15.724 -12.146 1.389 1.00 0.00 C ATOM 1011 O ILE A 57 -16.249 -13.226 1.138 1.00 0.00 O ATOM 1012 CB ILE A 57 -13.347 -11.862 0.523 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.595 -11.958 -0.820 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -13.126 -13.220 1.227 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -12.191 -10.608 -1.380 1.00 0.00 C ATOM 0 H ILE A 57 -14.221 -9.490 0.411 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.136 -11.890 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.966 -11.055 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.703 -12.569 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.226 -12.470 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.057 -13.406 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.589 -13.198 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.576 -14.015 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.666 -10.748 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.081 -10.002 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.534 -10.102 -0.672 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.911 -11.509 2.553 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.804 -12.031 3.592 1.00 0.00 C ATOM 1029 C GLN A 58 -18.275 -12.120 3.143 1.00 0.00 C ATOM 1030 O GLN A 58 -19.042 -12.830 3.788 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.663 -11.213 4.896 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.794 -11.900 5.960 1.00 0.00 C ATOM 1033 CD GLN A 58 -16.383 -13.222 6.448 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -17.422 -13.268 7.083 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.722 -14.338 6.207 1.00 0.00 N ATOM 0 H GLN A 58 -15.454 -10.630 2.797 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.489 -13.056 3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.233 -10.240 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.655 -11.031 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.801 -12.081 5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.670 -11.228 6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.851 -14.311 5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.082 -15.228 6.551 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.673 -11.461 2.044 1.00 0.00 N ATOM 1045 CA GLU A 59 -20.028 -11.572 1.493 1.00 0.00 C ATOM 1046 C GLU A 59 -20.183 -12.782 0.552 1.00 0.00 C ATOM 1047 O GLU A 59 -21.197 -13.470 0.628 1.00 0.00 O ATOM 1048 CB GLU A 59 -20.446 -10.259 0.801 1.00 0.00 C ATOM 1049 CG GLU A 59 -20.192 -9.032 1.698 1.00 0.00 C ATOM 1050 CD GLU A 59 -21.012 -7.803 1.293 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -22.252 -7.861 1.452 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -20.388 -6.801 0.875 1.00 0.00 O ATOM 0 H GLU A 59 -18.064 -10.837 1.514 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.704 -11.746 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.893 -10.148 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.503 -10.306 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -20.426 -9.291 2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -19.132 -8.780 1.665 1.00 0.00 H new ATOM 1059 N GLU A 60 -19.187 -13.072 -0.303 1.00 0.00 N ATOM 1060 CA GLU A 60 -19.233 -14.205 -1.256 1.00 0.00 C ATOM 1061 C GLU A 60 -17.884 -14.858 -1.605 1.00 0.00 C ATOM 1062 O GLU A 60 -17.852 -16.033 -1.960 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.876 -13.754 -2.584 1.00 0.00 C ATOM 1064 CG GLU A 60 -21.347 -14.167 -2.705 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.856 -13.877 -4.120 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -22.092 -12.685 -4.417 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.963 -14.848 -4.904 1.00 0.00 O ATOM 0 H GLU A 60 -18.325 -12.530 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.817 -14.958 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.800 -12.670 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -19.315 -14.179 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.455 -15.228 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.947 -13.624 -1.975 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.776 -14.113 -1.586 1.00 0.00 N ATOM 1075 CA GLY A 61 -15.446 -14.615 -1.949 1.00 0.00 C ATOM 1076 C GLY A 61 -15.068 -14.400 -3.421 1.00 0.00 C ATOM 1077 O GLY A 61 -13.898 -14.157 -3.704 1.00 0.00 O ATOM 0 H GLY A 61 -16.776 -13.130 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.702 -14.126 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.400 -15.681 -1.727 1.00 0.00 H new ATOM 1081 N LEU A 62 -16.040 -14.381 -4.346 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.861 -13.982 -5.757 1.00 0.00 C ATOM 1083 C LEU A 62 -15.113 -12.646 -5.883 1.00 0.00 C ATOM 1084 O LEU A 62 -14.241 -12.497 -6.742 1.00 0.00 O ATOM 1085 CB LEU A 62 -17.249 -13.958 -6.435 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.410 -13.092 -7.705 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.494 -13.489 -8.871 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.857 -13.181 -8.194 1.00 0.00 C ATOM 0 H LEU A 62 -17.000 -14.650 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.231 -14.709 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.515 -14.983 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.976 -13.614 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.128 -12.082 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.676 -12.828 -9.718 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.453 -13.403 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.702 -14.518 -9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.976 -12.572 -9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.100 -14.218 -8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.527 -12.817 -7.415 1.00 0.00 H new ATOM 1100 N SER A 63 -15.382 -11.714 -4.962 1.00 0.00 N ATOM 1101 CA SER A 63 -14.676 -10.439 -4.834 1.00 0.00 C ATOM 1102 C SER A 63 -13.153 -10.544 -4.715 1.00 0.00 C ATOM 1103 O SER A 63 -12.499 -9.526 -4.918 1.00 0.00 O ATOM 1104 CB SER A 63 -15.229 -9.630 -3.669 1.00 0.00 C ATOM 1105 OG SER A 63 -16.436 -9.009 -4.054 1.00 0.00 O ATOM 0 H SER A 63 -16.118 -11.832 -4.266 1.00 0.00 H new ATOM 0 HA SER A 63 -14.862 -9.928 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.400 -10.280 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.504 -8.877 -3.359 1.00 0.00 H new ATOM 0 HG SER A 63 -16.264 -8.071 -4.280 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.569 -11.732 -4.486 1.00 0.00 N ATOM 1112 CA VAL A 64 -11.153 -11.980 -4.783 1.00 0.00 C ATOM 1113 C VAL A 64 -10.846 -11.546 -6.213 1.00 0.00 C ATOM 1114 O VAL A 64 -10.083 -10.612 -6.407 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.757 -13.454 -4.527 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.447 -13.823 -5.232 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.610 -13.728 -3.025 1.00 0.00 C ATOM 0 H VAL A 64 -13.060 -12.536 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.546 -11.383 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.559 -14.069 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.205 -14.866 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.560 -13.681 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.644 -13.185 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.331 -14.770 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.837 -13.081 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.557 -13.528 -2.524 1.00 0.00 H new ATOM 1127 N SER A 65 -11.431 -12.197 -7.219 1.00 0.00 N ATOM 1128 CA SER A 65 -11.150 -11.848 -8.610 1.00 0.00 C ATOM 1129 C SER A 65 -11.922 -10.602 -9.041 1.00 0.00 C ATOM 1130 O SER A 65 -11.371 -9.775 -9.763 1.00 0.00 O ATOM 1131 CB SER A 65 -11.455 -13.036 -9.525 1.00 0.00 C ATOM 1132 OG SER A 65 -10.455 -13.122 -10.523 1.00 0.00 O ATOM 0 H SER A 65 -12.096 -12.961 -7.098 1.00 0.00 H new ATOM 0 HA SER A 65 -10.089 -11.612 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.487 -13.958 -8.945 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.436 -12.914 -9.985 1.00 0.00 H new ATOM 0 HG SER A 65 -9.622 -13.449 -10.124 1.00 0.00 H new ATOM 1138 N GLU A 66 -13.174 -10.458 -8.585 1.00 0.00 N ATOM 1139 CA GLU A 66 -14.054 -9.338 -8.929 1.00 0.00 C ATOM 1140 C GLU A 66 -13.516 -8.000 -8.412 1.00 0.00 C ATOM 1141 O GLU A 66 -13.204 -7.131 -9.218 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.491 -9.615 -8.437 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.456 -9.962 -9.581 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.005 -8.706 -10.262 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -16.186 -7.834 -10.631 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.245 -8.581 -10.339 1.00 0.00 O ATOM 0 H GLU A 66 -13.610 -11.131 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.080 -9.252 -10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.473 -10.437 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.864 -8.739 -7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.940 -10.579 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.283 -10.555 -9.191 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.360 -7.810 -7.095 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.963 -6.508 -6.563 1.00 0.00 C ATOM 1155 C ALA A 67 -11.505 -6.146 -6.915 1.00 0.00 C ATOM 1156 O ALA A 67 -11.195 -4.962 -7.055 1.00 0.00 O ATOM 1157 CB ALA A 67 -13.255 -6.440 -5.064 1.00 0.00 C ATOM 0 H ALA A 67 -13.501 -8.533 -6.390 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.567 -5.742 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.955 -5.465 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -14.322 -6.585 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.696 -7.221 -4.549 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.630 -7.143 -7.146 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.313 -6.924 -7.765 1.00 0.00 C ATOM 1165 C ILE A 68 -9.477 -6.430 -9.208 1.00 0.00 C ATOM 1166 O ILE A 68 -8.952 -5.368 -9.534 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.382 -8.156 -7.650 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -8.028 -8.359 -6.159 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -7.089 -7.949 -8.468 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -7.185 -9.603 -5.839 1.00 0.00 C ATOM 0 H ILE A 68 -10.817 -8.117 -6.909 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.808 -6.139 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.893 -9.033 -8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.490 -7.478 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.955 -8.414 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.452 -8.828 -8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.342 -7.799 -9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.558 -7.073 -8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.995 -9.648 -4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.724 -10.498 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.237 -9.547 -6.373 1.00 0.00 H new ATOM 1182 N ALA A 69 -10.202 -7.149 -10.079 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.432 -6.706 -11.457 1.00 0.00 C ATOM 1184 C ALA A 69 -11.119 -5.329 -11.530 1.00 0.00 C ATOM 1185 O ALA A 69 -10.739 -4.506 -12.363 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.218 -7.777 -12.219 1.00 0.00 C ATOM 0 H ALA A 69 -10.639 -8.042 -9.849 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.461 -6.576 -11.935 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.387 -7.444 -13.243 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.650 -8.707 -12.229 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.177 -7.943 -11.728 1.00 0.00 H new ATOM 1192 N GLN A 70 -12.058 -5.046 -10.617 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.651 -3.726 -10.403 1.00 0.00 C ATOM 1194 C GLN A 70 -11.578 -2.687 -10.074 1.00 0.00 C ATOM 1195 O GLN A 70 -11.393 -1.781 -10.875 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.736 -3.768 -9.323 1.00 0.00 C ATOM 1197 CG GLN A 70 -15.014 -4.465 -9.813 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.954 -4.826 -8.666 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -16.086 -4.122 -7.675 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.635 -5.948 -8.761 1.00 0.00 N ATOM 0 H GLN A 70 -12.436 -5.755 -9.988 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.130 -3.425 -11.334 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.353 -4.289 -8.446 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.975 -2.751 -9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.534 -3.813 -10.515 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.745 -5.370 -10.358 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.530 -6.540 -9.585 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.268 -6.225 -8.011 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.826 -2.793 -8.964 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.809 -1.769 -8.642 1.00 0.00 C ATOM 1211 C VAL A 71 -8.699 -1.664 -9.708 1.00 0.00 C ATOM 1212 O VAL A 71 -8.133 -0.590 -9.903 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.255 -1.943 -7.212 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -8.222 -3.065 -7.075 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.630 -0.640 -6.702 1.00 0.00 C ATOM 0 H VAL A 71 -10.897 -3.555 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.319 -0.806 -8.665 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.120 -2.218 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.882 -3.122 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.675 -4.014 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.372 -2.858 -7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.248 -0.791 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.812 -0.347 -7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.385 0.146 -6.690 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.426 -2.746 -10.455 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.559 -2.736 -11.641 1.00 0.00 C ATOM 1227 C LYS A 72 -8.136 -1.900 -12.794 1.00 0.00 C ATOM 1228 O LYS A 72 -7.377 -1.161 -13.417 1.00 0.00 O ATOM 1229 CB LYS A 72 -7.288 -4.173 -12.114 1.00 0.00 C ATOM 1230 CG LYS A 72 -6.370 -4.982 -11.173 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.973 -5.198 -11.767 1.00 0.00 C ATOM 1232 CE LYS A 72 -5.054 -6.149 -12.970 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.995 -5.869 -13.966 1.00 0.00 N ATOM 0 H LYS A 72 -8.809 -3.668 -10.247 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.623 -2.264 -11.343 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.239 -4.696 -12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.836 -4.139 -13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.280 -4.461 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.828 -5.949 -10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.549 -4.243 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.307 -5.612 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.965 -7.179 -12.625 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.032 -6.054 -13.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.084 -6.532 -14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.095 -4.894 -14.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.062 -5.984 -13.522 1.00 0.00 H new ATOM 1247 N THR A 73 -9.436 -2.022 -13.106 1.00 0.00 N ATOM 1248 CA THR A 73 -10.090 -1.241 -14.176 1.00 0.00 C ATOM 1249 C THR A 73 -10.688 0.097 -13.714 1.00 0.00 C ATOM 1250 O THR A 73 -11.065 0.901 -14.566 1.00 0.00 O ATOM 1251 CB THR A 73 -11.131 -2.081 -14.937 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.447 -1.403 -16.130 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.443 -2.337 -14.196 1.00 0.00 C ATOM 0 H THR A 73 -10.066 -2.664 -12.625 1.00 0.00 H new ATOM 0 HA THR A 73 -9.285 -0.978 -14.862 1.00 0.00 H new ATOM 0 HB THR A 73 -10.670 -3.057 -15.087 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.310 -0.441 -16.006 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.103 -2.937 -14.822 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.239 -2.871 -13.268 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.924 -1.386 -13.969 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.751 0.348 -12.405 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.253 1.556 -11.747 1.00 0.00 C ATOM 1263 C GLU A 74 -10.219 2.039 -10.708 1.00 0.00 C ATOM 1264 O GLU A 74 -10.367 1.766 -9.513 1.00 0.00 O ATOM 1265 CB GLU A 74 -12.634 1.306 -11.105 1.00 0.00 C ATOM 1266 CG GLU A 74 -13.691 0.823 -12.105 1.00 0.00 C ATOM 1267 CD GLU A 74 -15.100 0.931 -11.516 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -15.634 2.064 -11.513 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -15.627 -0.116 -11.075 1.00 0.00 O ATOM 0 H GLU A 74 -10.428 -0.341 -11.725 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.390 2.340 -12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.529 0.565 -10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.981 2.227 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.629 1.415 -13.018 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.488 -0.212 -12.382 1.00 0.00 H new ATOM 1276 N PRO A 75 -9.145 2.730 -11.140 1.00 0.00 N ATOM 1277 CA PRO A 75 -8.054 3.130 -10.255 1.00 0.00 C ATOM 1278 C PRO A 75 -8.521 4.164 -9.212 1.00 0.00 C ATOM 1279 O PRO A 75 -9.163 5.151 -9.584 1.00 0.00 O ATOM 1280 CB PRO A 75 -6.958 3.687 -11.173 1.00 0.00 C ATOM 1281 CG PRO A 75 -7.710 4.121 -12.431 1.00 0.00 C ATOM 1282 CD PRO A 75 -8.872 3.135 -12.511 1.00 0.00 C ATOM 0 HA PRO A 75 -7.682 2.288 -9.671 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.438 4.526 -10.710 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.205 2.932 -11.399 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.062 5.150 -12.353 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -7.076 4.067 -13.316 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.748 3.600 -12.963 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.613 2.275 -13.128 1.00 0.00 H new ATOM 1290 N PRO A 76 -8.207 3.977 -7.914 1.00 0.00 N ATOM 1291 CA PRO A 76 -8.655 4.873 -6.854 1.00 0.00 C ATOM 1292 C PRO A 76 -7.901 6.211 -6.878 1.00 0.00 C ATOM 1293 O PRO A 76 -6.766 6.307 -7.349 1.00 0.00 O ATOM 1294 CB PRO A 76 -8.418 4.103 -5.550 1.00 0.00 C ATOM 1295 CG PRO A 76 -7.220 3.212 -5.876 1.00 0.00 C ATOM 1296 CD PRO A 76 -7.419 2.887 -7.356 1.00 0.00 C ATOM 0 HA PRO A 76 -9.704 5.143 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.204 4.776 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.291 3.515 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.276 3.727 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -7.210 2.310 -5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.460 2.800 -7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -7.933 1.934 -7.479 1.00 0.00 H new ATOM 1304 N ARG A 77 -8.546 7.250 -6.335 1.00 0.00 N ATOM 1305 CA ARG A 77 -8.034 8.619 -6.251 1.00 0.00 C ATOM 1306 C ARG A 77 -8.728 9.326 -5.082 1.00 0.00 C ATOM 1307 O ARG A 77 -9.943 9.510 -5.130 1.00 0.00 O ATOM 1308 CB ARG A 77 -8.320 9.330 -7.589 1.00 0.00 C ATOM 1309 CG ARG A 77 -7.525 10.631 -7.796 1.00 0.00 C ATOM 1310 CD ARG A 77 -6.330 10.414 -8.737 1.00 0.00 C ATOM 1311 NE ARG A 77 -5.781 11.698 -9.214 1.00 0.00 N ATOM 1312 CZ ARG A 77 -5.078 11.897 -10.323 1.00 0.00 C ATOM 1313 NH1 ARG A 77 -4.688 10.899 -11.084 1.00 0.00 N ATOM 1314 NH2 ARG A 77 -4.758 13.112 -10.697 1.00 0.00 N ATOM 0 H ARG A 77 -9.476 7.154 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.958 8.633 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.094 8.646 -8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.385 9.555 -7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.180 11.398 -8.209 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.170 10.999 -6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.552 9.855 -8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.641 9.810 -9.590 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.960 12.517 -8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.924 9.940 -10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.149 11.083 -11.930 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.049 13.912 -10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.218 13.257 -11.550 1.00 0.00 H new ATOM 1328 N GLU A 78 -7.977 9.652 -4.028 1.00 0.00 N ATOM 1329 CA GLU A 78 -8.438 10.514 -2.925 1.00 0.00 C ATOM 1330 C GLU A 78 -8.371 11.993 -3.343 1.00 0.00 C ATOM 1331 O GLU A 78 -9.400 12.678 -3.171 1.00 0.00 O ATOM 1332 CB GLU A 78 -7.620 10.210 -1.648 1.00 0.00 C ATOM 1333 CG GLU A 78 -8.448 10.199 -0.343 1.00 0.00 C ATOM 1334 CD GLU A 78 -8.103 11.340 0.631 1.00 0.00 C ATOM 1335 OE1 GLU A 78 -6.967 11.320 1.164 1.00 0.00 O ATOM 1336 OE2 GLU A 78 -8.991 12.183 0.887 1.00 0.00 O ATOM 1337 OXT GLU A 78 -7.317 12.390 -3.894 1.00 0.00 O ATOM 0 H GLU A 78 -7.019 9.323 -3.910 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.482 10.302 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.136 9.240 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.828 10.953 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.506 10.260 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.296 9.246 0.163 1.00 0.00 H new TER 1344 GLU A 78