USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 400 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -49:sc= 0.0252 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 60:sc= 0.996 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0872 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.73! C(o=-2.8!,f=-1.7!) USER MOD Single : A 25 THR OG1 : rot -69:sc= 0.976 USER MOD Single : A 26 ASN : amide:sc= -1.16! X(o=-1.2!,f=-1.6) USER MOD Single : A 29 LYS NZ :NH3+ 134:sc= 0.35 (180deg=-0.658) USER MOD Single : A 30 ASN : amide:sc= -1.61 K(o=-1.6,f=-8.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 1:sc= 0.526 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.986 -4.479 13.645 1.00 0.00 N ATOM 2 CA GLY A 1 -3.333 -3.194 13.478 1.00 0.00 C ATOM 3 C GLY A 1 -3.765 -2.484 12.210 1.00 0.00 C ATOM 4 O GLY A 1 -4.133 -1.310 12.242 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.657 -4.924 14.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.016 -4.342 13.690 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.754 -5.094 12.839 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.556 -2.562 14.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.253 -3.339 13.460 1.00 0.00 H new ATOM 8 N SER A 2 -3.717 -3.198 11.090 1.00 0.00 N ATOM 9 CA SER A 2 -4.101 -2.627 9.804 1.00 0.00 C ATOM 10 C SER A 2 -5.477 -3.127 9.376 1.00 0.00 C ATOM 11 O SER A 2 -5.861 -3.006 8.213 1.00 0.00 O ATOM 12 CB SER A 2 -3.063 -2.979 8.736 1.00 0.00 C ATOM 13 OG SER A 2 -3.082 -2.038 7.677 1.00 0.00 O ATOM 0 H SER A 2 -3.416 -4.172 11.047 1.00 0.00 H new ATOM 0 HA SER A 2 -4.146 -1.544 9.914 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.070 -3.006 9.185 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.263 -3.976 8.344 1.00 0.00 H new ATOM 0 HG SER A 2 -4.004 -1.908 7.371 1.00 0.00 H new ATOM 19 N SER A 3 -6.216 -3.691 10.327 1.00 0.00 N ATOM 20 CA SER A 3 -7.549 -4.214 10.049 1.00 0.00 C ATOM 21 C SER A 3 -8.514 -3.085 9.702 1.00 0.00 C ATOM 22 O SER A 3 -8.662 -2.125 10.458 1.00 0.00 O ATOM 23 CB SER A 3 -8.074 -4.997 11.255 1.00 0.00 C ATOM 24 OG SER A 3 -7.153 -5.998 11.653 1.00 0.00 O ATOM 0 H SER A 3 -5.914 -3.797 11.296 1.00 0.00 H new ATOM 0 HA SER A 3 -7.478 -4.884 9.192 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.255 -4.314 12.085 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.030 -5.457 11.006 1.00 0.00 H new ATOM 0 HG SER A 3 -7.511 -6.483 12.426 1.00 0.00 H new ATOM 30 N GLY A 4 -9.170 -3.208 8.552 1.00 0.00 N ATOM 31 CA GLY A 4 -10.113 -2.191 8.124 1.00 0.00 C ATOM 32 C GLY A 4 -9.556 -1.312 7.022 1.00 0.00 C ATOM 33 O GLY A 4 -9.397 -0.105 7.203 1.00 0.00 O ATOM 0 H GLY A 4 -9.065 -3.993 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.027 -2.671 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.385 -1.570 8.977 1.00 0.00 H new ATOM 37 N SER A 5 -9.259 -1.917 5.877 1.00 0.00 N ATOM 38 CA SER A 5 -8.711 -1.182 4.743 1.00 0.00 C ATOM 39 C SER A 5 -9.758 -0.247 4.145 1.00 0.00 C ATOM 40 O SER A 5 -10.953 -0.541 4.166 1.00 0.00 O ATOM 41 CB SER A 5 -8.208 -2.153 3.673 1.00 0.00 C ATOM 42 OG SER A 5 -9.274 -2.918 3.137 1.00 0.00 O ATOM 0 H SER A 5 -9.389 -2.915 5.710 1.00 0.00 H new ATOM 0 HA SER A 5 -7.874 -0.582 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.718 -1.597 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.460 -2.818 4.104 1.00 0.00 H new ATOM 0 HG SER A 5 -8.927 -3.529 2.454 1.00 0.00 H new ATOM 48 N SER A 6 -9.300 0.882 3.613 1.00 0.00 N ATOM 49 CA SER A 6 -10.196 1.863 3.013 1.00 0.00 C ATOM 50 C SER A 6 -10.660 1.403 1.634 1.00 0.00 C ATOM 51 O SER A 6 -9.848 1.064 0.774 1.00 0.00 O ATOM 52 CB SER A 6 -9.499 3.221 2.902 1.00 0.00 C ATOM 53 OG SER A 6 -9.223 3.758 4.184 1.00 0.00 O ATOM 0 H SER A 6 -8.313 1.140 3.585 1.00 0.00 H new ATOM 0 HA SER A 6 -11.070 1.962 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.570 3.112 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.129 3.912 2.343 1.00 0.00 H new ATOM 0 HG SER A 6 -8.776 4.625 4.086 1.00 0.00 H new ATOM 59 N GLY A 7 -11.974 1.394 1.432 1.00 0.00 N ATOM 60 CA GLY A 7 -12.525 0.974 0.157 1.00 0.00 C ATOM 61 C GLY A 7 -12.993 -0.468 0.174 1.00 0.00 C ATOM 62 O GLY A 7 -13.712 -0.884 1.083 1.00 0.00 O ATOM 0 H GLY A 7 -12.666 1.670 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.362 1.621 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.771 1.099 -0.620 1.00 0.00 H new ATOM 66 N TYR A 8 -12.586 -1.232 -0.834 1.00 0.00 N ATOM 67 CA TYR A 8 -12.971 -2.634 -0.933 1.00 0.00 C ATOM 68 C TYR A 8 -12.113 -3.363 -1.963 1.00 0.00 C ATOM 69 O TYR A 8 -11.388 -2.739 -2.740 1.00 0.00 O ATOM 70 CB TYR A 8 -14.449 -2.754 -1.308 1.00 0.00 C ATOM 71 CG TYR A 8 -14.697 -2.757 -2.800 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.497 -3.906 -3.554 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.130 -1.611 -3.454 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.722 -3.914 -4.917 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.359 -1.609 -4.817 1.00 0.00 C ATOM 76 CZ TYR A 8 -15.153 -2.763 -5.544 1.00 0.00 C ATOM 77 OH TYR A 8 -15.379 -2.766 -6.901 1.00 0.00 O ATOM 0 H TYR A 8 -11.990 -0.904 -1.594 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.811 -3.098 0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.850 -3.672 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.998 -1.926 -0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.160 -4.809 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.291 -0.706 -2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.561 -4.816 -5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.697 -0.709 -5.310 1.00 0.00 H new ATOM 0 HH TYR A 8 -16.071 -3.426 -7.116 1.00 0.00 H new ATOM 87 N THR A 9 -12.200 -4.690 -1.965 1.00 0.00 N ATOM 88 CA THR A 9 -11.433 -5.505 -2.898 1.00 0.00 C ATOM 89 C THR A 9 -12.174 -6.792 -3.241 1.00 0.00 C ATOM 90 O THR A 9 -12.964 -7.298 -2.443 1.00 0.00 O ATOM 91 CB THR A 9 -10.048 -5.861 -2.325 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.412 -4.684 -1.813 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.169 -6.496 -3.391 1.00 0.00 C ATOM 0 H THR A 9 -12.795 -5.223 -1.330 1.00 0.00 H new ATOM 0 HA THR A 9 -11.302 -4.912 -3.803 1.00 0.00 H new ATOM 0 HB THR A 9 -10.187 -6.579 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.533 -4.919 -1.449 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.196 -6.739 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.642 -7.407 -3.757 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.038 -5.798 -4.218 1.00 0.00 H new ATOM 101 N CYS A 10 -11.916 -7.318 -4.434 1.00 0.00 N ATOM 102 CA CYS A 10 -12.558 -8.547 -4.883 1.00 0.00 C ATOM 103 C CYS A 10 -12.353 -9.670 -3.871 1.00 0.00 C ATOM 104 O CYS A 10 -11.232 -10.132 -3.658 1.00 0.00 O ATOM 105 CB CYS A 10 -12.004 -8.967 -6.246 1.00 0.00 C ATOM 106 SG CYS A 10 -12.708 -10.521 -6.888 1.00 0.00 S ATOM 0 H CYS A 10 -11.266 -6.912 -5.107 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.627 -8.356 -4.975 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.194 -8.170 -6.965 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.922 -9.075 -6.169 1.00 0.00 H new ATOM 111 N PHE A 11 -13.445 -10.105 -3.249 1.00 0.00 N ATOM 112 CA PHE A 11 -13.386 -11.173 -2.258 1.00 0.00 C ATOM 113 C PHE A 11 -13.243 -12.534 -2.933 1.00 0.00 C ATOM 114 O PHE A 11 -13.206 -13.568 -2.267 1.00 0.00 O ATOM 115 CB PHE A 11 -14.640 -11.154 -1.382 1.00 0.00 C ATOM 116 CG PHE A 11 -14.515 -11.987 -0.138 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.623 -11.634 0.861 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.290 -13.123 0.031 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.505 -12.400 2.006 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.177 -13.892 1.174 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.284 -13.529 2.163 1.00 0.00 C ATOM 0 H PHE A 11 -14.381 -9.734 -3.414 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.511 -11.005 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.861 -10.125 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.487 -11.513 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.013 -10.751 0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.990 -13.411 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.804 -12.115 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.786 -14.776 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.195 -14.127 3.058 1.00 0.00 H new ATOM 131 N ARG A 12 -13.165 -12.524 -4.260 1.00 0.00 N ATOM 132 CA ARG A 12 -13.029 -13.757 -5.026 1.00 0.00 C ATOM 133 C ARG A 12 -11.567 -14.185 -5.113 1.00 0.00 C ATOM 134 O ARG A 12 -11.178 -15.219 -4.570 1.00 0.00 O ATOM 135 CB ARG A 12 -13.602 -13.575 -6.432 1.00 0.00 C ATOM 136 CG ARG A 12 -14.016 -14.878 -7.096 1.00 0.00 C ATOM 137 CD ARG A 12 -14.859 -14.629 -8.337 1.00 0.00 C ATOM 138 NE ARG A 12 -15.791 -15.723 -8.595 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.451 -16.847 -9.217 1.00 0.00 C ATOM 140 NH1 ARG A 12 -14.207 -17.023 -9.642 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.355 -17.797 -9.414 1.00 0.00 N ATOM 0 H ARG A 12 -13.194 -11.676 -4.826 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.588 -14.538 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.467 -12.913 -6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.859 -13.079 -7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.127 -15.448 -7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.580 -15.485 -6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.416 -13.700 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.205 -14.499 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.756 -15.619 -8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.509 -16.295 -9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.948 -17.887 -10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.312 -17.665 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.093 -18.659 -9.892 1.00 0.00 H new ATOM 155 N CYS A 13 -10.761 -13.382 -5.800 1.00 0.00 N ATOM 156 CA CYS A 13 -9.342 -13.676 -5.959 1.00 0.00 C ATOM 157 C CYS A 13 -8.504 -12.861 -4.978 1.00 0.00 C ATOM 158 O CYS A 13 -7.467 -13.321 -4.500 1.00 0.00 O ATOM 159 CB CYS A 13 -8.897 -13.383 -7.394 1.00 0.00 C ATOM 160 SG CYS A 13 -9.100 -11.643 -7.894 1.00 0.00 S ATOM 0 H CYS A 13 -11.067 -12.522 -6.256 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.190 -14.734 -5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.849 -13.661 -7.502 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.466 -14.015 -8.076 1.00 0.00 H new ATOM 165 N GLY A 14 -8.961 -11.648 -4.683 1.00 0.00 N ATOM 166 CA GLY A 14 -8.242 -10.789 -3.761 1.00 0.00 C ATOM 167 C GLY A 14 -7.468 -9.696 -4.471 1.00 0.00 C ATOM 168 O GLY A 14 -6.331 -9.393 -4.107 1.00 0.00 O ATOM 0 H GLY A 14 -9.816 -11.245 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.948 -10.336 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.553 -11.392 -3.169 1.00 0.00 H new ATOM 172 N LYS A 15 -8.084 -9.102 -5.488 1.00 0.00 N ATOM 173 CA LYS A 15 -7.446 -8.036 -6.252 1.00 0.00 C ATOM 174 C LYS A 15 -8.357 -6.817 -6.350 1.00 0.00 C ATOM 175 O LYS A 15 -9.552 -6.926 -6.625 1.00 0.00 O ATOM 176 CB LYS A 15 -7.087 -8.531 -7.655 1.00 0.00 C ATOM 177 CG LYS A 15 -5.934 -9.521 -7.674 1.00 0.00 C ATOM 178 CD LYS A 15 -4.598 -8.817 -7.839 1.00 0.00 C ATOM 179 CE LYS A 15 -4.223 -8.669 -9.305 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.791 -8.298 -9.477 1.00 0.00 N ATOM 0 H LYS A 15 -9.025 -9.341 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.534 -7.745 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.964 -8.999 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.830 -7.675 -8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.932 -10.096 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.076 -10.230 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.644 -7.833 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.823 -9.380 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.421 -9.605 -9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.853 -7.908 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.575 -8.207 -10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.608 -7.392 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.189 -9.036 -9.060 1.00 0.00 H new ATOM 194 N PRO A 16 -7.782 -5.627 -6.120 1.00 0.00 N ATOM 195 CA PRO A 16 -8.524 -4.365 -6.179 1.00 0.00 C ATOM 196 C PRO A 16 -8.937 -4.001 -7.601 1.00 0.00 C ATOM 197 O PRO A 16 -8.707 -4.762 -8.539 1.00 0.00 O ATOM 198 CB PRO A 16 -7.525 -3.341 -5.633 1.00 0.00 C ATOM 199 CG PRO A 16 -6.187 -3.935 -5.906 1.00 0.00 C ATOM 200 CD PRO A 16 -6.362 -5.423 -5.786 1.00 0.00 C ATOM 0 HA PRO A 16 -9.456 -4.413 -5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.638 -2.376 -6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.673 -3.173 -4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.835 -3.663 -6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.446 -3.571 -5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.707 -5.961 -6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.131 -5.775 -4.781 1.00 0.00 H new ATOM 208 N GLY A 17 -9.549 -2.830 -7.753 1.00 0.00 N ATOM 209 CA GLY A 17 -9.984 -2.385 -9.064 1.00 0.00 C ATOM 210 C GLY A 17 -11.326 -2.970 -9.459 1.00 0.00 C ATOM 211 O GLY A 17 -12.133 -2.307 -10.111 1.00 0.00 O ATOM 0 H GLY A 17 -9.751 -2.182 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.049 -1.297 -9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.236 -2.665 -9.806 1.00 0.00 H new ATOM 215 N HIS A 18 -11.565 -4.217 -9.065 1.00 0.00 N ATOM 216 CA HIS A 18 -12.819 -4.892 -9.383 1.00 0.00 C ATOM 217 C HIS A 18 -13.387 -5.591 -8.151 1.00 0.00 C ATOM 218 O HIS A 18 -12.731 -5.669 -7.112 1.00 0.00 O ATOM 219 CB HIS A 18 -12.606 -5.906 -10.507 1.00 0.00 C ATOM 220 CG HIS A 18 -11.808 -7.104 -10.090 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.437 -7.176 -10.217 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.197 -8.280 -9.544 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.017 -8.345 -9.769 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.065 -9.034 -9.354 1.00 0.00 N ATOM 0 H HIS A 18 -10.908 -4.780 -8.526 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.535 -4.140 -9.714 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.577 -6.237 -10.876 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.100 -5.414 -11.338 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.841 -6.441 -10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.209 -8.571 -9.303 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.991 -8.681 -9.746 1.00 0.00 H new ATOM 232 N TYR A 19 -14.608 -6.098 -8.276 1.00 0.00 N ATOM 233 CA TYR A 19 -15.265 -6.788 -7.172 1.00 0.00 C ATOM 234 C TYR A 19 -15.515 -8.253 -7.517 1.00 0.00 C ATOM 235 O TYR A 19 -15.307 -8.679 -8.653 1.00 0.00 O ATOM 236 CB TYR A 19 -16.588 -6.101 -6.828 1.00 0.00 C ATOM 237 CG TYR A 19 -17.316 -5.551 -8.034 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.737 -4.573 -8.833 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.583 -6.009 -8.373 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.399 -4.067 -9.935 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.251 -5.510 -9.474 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.655 -4.540 -10.252 1.00 0.00 C ATOM 243 OH TYR A 19 -19.319 -4.039 -11.349 1.00 0.00 O ATOM 0 H TYR A 19 -15.163 -6.044 -9.130 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.605 -6.745 -6.306 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.236 -6.813 -6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.394 -5.288 -6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.753 -4.202 -8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.053 -6.768 -7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.936 -3.305 -10.545 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.235 -5.878 -9.724 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.191 -4.479 -11.433 1.00 0.00 H new ATOM 253 N ILE A 20 -15.964 -9.019 -6.528 1.00 0.00 N ATOM 254 CA ILE A 20 -16.245 -10.435 -6.726 1.00 0.00 C ATOM 255 C ILE A 20 -17.289 -10.641 -7.819 1.00 0.00 C ATOM 256 O ILE A 20 -17.349 -11.700 -8.444 1.00 0.00 O ATOM 257 CB ILE A 20 -16.740 -11.098 -5.427 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.088 -12.566 -5.679 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.944 -10.349 -4.876 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.940 -13.442 -4.454 1.00 0.00 C ATOM 0 H ILE A 20 -16.141 -8.682 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.308 -10.903 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.941 -11.056 -4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.114 -12.631 -6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.447 -12.952 -6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.282 -10.829 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.665 -9.317 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.749 -10.363 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.203 -14.469 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.908 -13.408 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.602 -13.081 -3.667 1.00 0.00 H new ATOM 272 N LYS A 21 -18.109 -9.621 -8.045 1.00 0.00 N ATOM 273 CA LYS A 21 -19.150 -9.687 -9.064 1.00 0.00 C ATOM 274 C LYS A 21 -18.585 -9.354 -10.441 1.00 0.00 C ATOM 275 O LYS A 21 -18.987 -9.940 -11.446 1.00 0.00 O ATOM 276 CB LYS A 21 -20.289 -8.724 -8.723 1.00 0.00 C ATOM 277 CG LYS A 21 -20.538 -8.580 -7.231 1.00 0.00 C ATOM 278 CD LYS A 21 -21.034 -9.880 -6.621 1.00 0.00 C ATOM 279 CE LYS A 21 -21.269 -9.740 -5.125 1.00 0.00 C ATOM 280 NZ LYS A 21 -21.912 -10.953 -4.548 1.00 0.00 N ATOM 0 H LYS A 21 -18.073 -8.738 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.538 -10.706 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.062 -7.743 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.204 -9.072 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.617 -8.272 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.271 -7.793 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.961 -10.182 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.306 -10.670 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.318 -9.560 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.899 -8.871 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.055 -10.818 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.831 -11.111 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.300 -11.779 -4.705 1.00 0.00 H new ATOM 294 N ASN A 22 -17.648 -8.412 -10.480 1.00 0.00 N ATOM 295 CA ASN A 22 -17.027 -8.002 -11.734 1.00 0.00 C ATOM 296 C ASN A 22 -15.646 -8.633 -11.888 1.00 0.00 C ATOM 297 O ASN A 22 -14.829 -8.177 -12.689 1.00 0.00 O ATOM 298 CB ASN A 22 -16.914 -6.478 -11.798 1.00 0.00 C ATOM 299 CG ASN A 22 -16.022 -6.011 -12.932 1.00 0.00 C ATOM 300 OD1 ASN A 22 -14.968 -5.278 -12.591 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.276 -6.307 -14.099 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.302 -7.918 -9.657 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.658 -8.347 -12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.908 -6.048 -11.921 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.520 -6.106 -10.852 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.097 -6.873 -14.315 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.665 -5.987 -14.851 1.00 0.00 H new ATOM 308 N CYS A 23 -15.392 -9.684 -11.116 1.00 0.00 N ATOM 309 CA CYS A 23 -14.111 -10.378 -11.166 1.00 0.00 C ATOM 310 C CYS A 23 -13.940 -11.110 -12.494 1.00 0.00 C ATOM 311 O CYS A 23 -14.844 -11.794 -12.975 1.00 0.00 O ATOM 312 CB CYS A 23 -13.999 -11.369 -10.006 1.00 0.00 C ATOM 313 SG CYS A 23 -12.423 -12.283 -9.958 1.00 0.00 S ATOM 0 H CYS A 23 -16.057 -10.074 -10.448 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.319 -9.634 -11.077 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.122 -10.829 -9.067 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.819 -12.084 -10.072 1.00 0.00 H new ATOM 318 N PRO A 24 -12.753 -10.965 -13.100 1.00 0.00 N ATOM 319 CA PRO A 24 -12.434 -11.606 -14.380 1.00 0.00 C ATOM 320 C PRO A 24 -12.295 -13.119 -14.252 1.00 0.00 C ATOM 321 O PRO A 24 -12.849 -13.874 -15.051 1.00 0.00 O ATOM 322 CB PRO A 24 -11.094 -10.976 -14.768 1.00 0.00 C ATOM 323 CG PRO A 24 -10.484 -10.558 -13.476 1.00 0.00 C ATOM 324 CD PRO A 24 -11.629 -10.166 -12.584 1.00 0.00 C ATOM 0 HA PRO A 24 -13.221 -11.455 -15.119 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.459 -11.689 -15.293 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.235 -10.124 -15.433 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.907 -11.371 -13.036 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.798 -9.723 -13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.420 -10.394 -11.539 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.836 -9.097 -12.642 1.00 0.00 H new ATOM 332 N THR A 25 -11.550 -13.557 -13.241 1.00 0.00 N ATOM 333 CA THR A 25 -11.337 -14.979 -13.009 1.00 0.00 C ATOM 334 C THR A 25 -12.603 -15.779 -13.295 1.00 0.00 C ATOM 335 O THR A 25 -12.544 -16.873 -13.856 1.00 0.00 O ATOM 336 CB THR A 25 -10.888 -15.251 -11.561 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.968 -14.993 -10.657 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.693 -14.384 -11.193 1.00 0.00 C ATOM 0 H THR A 25 -11.084 -12.946 -12.570 1.00 0.00 H new ATOM 0 HA THR A 25 -10.549 -15.296 -13.692 1.00 0.00 H new ATOM 0 HB THR A 25 -10.594 -16.298 -11.485 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.154 -14.031 -10.636 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.394 -14.594 -10.166 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.863 -14.604 -11.865 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.965 -13.332 -11.284 1.00 0.00 H new ATOM 346 N ASN A 26 -13.747 -15.225 -12.907 1.00 0.00 N ATOM 347 CA ASN A 26 -15.028 -15.888 -13.123 1.00 0.00 C ATOM 348 C ASN A 26 -15.041 -16.626 -14.458 1.00 0.00 C ATOM 349 O ASN A 26 -15.170 -17.848 -14.503 1.00 0.00 O ATOM 350 CB ASN A 26 -16.167 -14.867 -13.080 1.00 0.00 C ATOM 351 CG ASN A 26 -16.650 -14.598 -11.668 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.376 -15.404 -11.085 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.249 -13.461 -11.112 1.00 0.00 N ATOM 0 H ASN A 26 -13.813 -14.320 -12.442 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.171 -16.616 -12.325 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.831 -13.933 -13.530 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.999 -15.230 -13.683 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.542 -13.226 -10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.647 -12.823 -11.633 1.00 0.00 H new ATOM 360 N GLY A 27 -14.907 -15.873 -15.546 1.00 0.00 N ATOM 361 CA GLY A 27 -14.905 -16.472 -16.868 1.00 0.00 C ATOM 362 C GLY A 27 -13.525 -16.930 -17.295 1.00 0.00 C ATOM 363 O GLY A 27 -13.134 -16.752 -18.449 1.00 0.00 O ATOM 0 H GLY A 27 -14.800 -14.859 -15.535 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.586 -17.323 -16.879 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.285 -15.750 -17.591 1.00 0.00 H new ATOM 367 N ASP A 28 -12.784 -17.519 -16.363 1.00 0.00 N ATOM 368 CA ASP A 28 -11.438 -18.003 -16.649 1.00 0.00 C ATOM 369 C ASP A 28 -11.179 -19.333 -15.948 1.00 0.00 C ATOM 370 O ASP A 28 -12.030 -19.838 -15.216 1.00 0.00 O ATOM 371 CB ASP A 28 -10.398 -16.970 -16.211 1.00 0.00 C ATOM 372 CG ASP A 28 -10.386 -15.746 -17.105 1.00 0.00 C ATOM 373 OD1 ASP A 28 -11.480 -15.285 -17.494 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.283 -15.249 -17.416 1.00 0.00 O ATOM 0 H ASP A 28 -13.092 -17.673 -15.403 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.354 -18.157 -17.725 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.603 -16.665 -15.185 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.410 -17.429 -16.216 1.00 0.00 H new ATOM 379 N LYS A 29 -9.998 -19.897 -16.179 1.00 0.00 N ATOM 380 CA LYS A 29 -9.625 -21.168 -15.570 1.00 0.00 C ATOM 381 C LYS A 29 -8.109 -21.328 -15.530 1.00 0.00 C ATOM 382 O LYS A 29 -7.393 -20.753 -16.349 1.00 0.00 O ATOM 383 CB LYS A 29 -10.250 -22.331 -16.345 1.00 0.00 C ATOM 384 CG LYS A 29 -9.768 -22.434 -17.781 1.00 0.00 C ATOM 385 CD LYS A 29 -8.573 -23.364 -17.903 1.00 0.00 C ATOM 386 CE LYS A 29 -7.803 -23.117 -19.191 1.00 0.00 C ATOM 387 NZ LYS A 29 -7.225 -21.745 -19.237 1.00 0.00 N ATOM 0 H LYS A 29 -9.283 -19.493 -16.784 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.001 -21.176 -14.547 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.025 -23.264 -15.828 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.334 -22.218 -16.342 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.579 -22.797 -18.413 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.498 -21.443 -18.147 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.911 -23.221 -17.049 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.912 -24.399 -17.874 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.003 -23.851 -19.282 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.466 -23.261 -20.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.236 -21.795 -19.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.772 -21.160 -19.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.263 -21.320 -18.288 1.00 0.00 H new ATOM 401 N ASN A 30 -7.626 -22.114 -14.573 1.00 0.00 N ATOM 402 CA ASN A 30 -6.194 -22.350 -14.427 1.00 0.00 C ATOM 403 C ASN A 30 -5.460 -21.053 -14.103 1.00 0.00 C ATOM 404 O ASN A 30 -4.394 -20.776 -14.654 1.00 0.00 O ATOM 405 CB ASN A 30 -5.625 -22.966 -15.706 1.00 0.00 C ATOM 406 CG ASN A 30 -5.829 -24.467 -15.766 1.00 0.00 C ATOM 407 OD1 ASN A 30 -6.852 -24.947 -16.256 1.00 0.00 O ATOM 408 ND2 ASN A 30 -4.854 -25.217 -15.265 1.00 0.00 N ATOM 0 H ASN A 30 -8.205 -22.598 -13.887 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.047 -23.046 -13.601 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.100 -22.503 -16.571 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.560 -22.744 -15.770 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.935 -26.234 -15.276 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.024 -24.776 -14.869 1.00 0.00 H new ATOM 415 N PHE A 31 -6.036 -20.261 -13.204 1.00 0.00 N ATOM 416 CA PHE A 31 -5.437 -18.993 -12.807 1.00 0.00 C ATOM 417 C PHE A 31 -4.690 -19.135 -11.483 1.00 0.00 C ATOM 418 O PHE A 31 -4.691 -20.202 -10.871 1.00 0.00 O ATOM 419 CB PHE A 31 -6.513 -17.912 -12.685 1.00 0.00 C ATOM 420 CG PHE A 31 -7.529 -18.196 -11.615 1.00 0.00 C ATOM 421 CD1 PHE A 31 -8.529 -19.131 -11.823 1.00 0.00 C ATOM 422 CD2 PHE A 31 -7.483 -17.527 -10.403 1.00 0.00 C ATOM 423 CE1 PHE A 31 -9.466 -19.394 -10.841 1.00 0.00 C ATOM 424 CE2 PHE A 31 -8.416 -17.786 -9.417 1.00 0.00 C ATOM 425 CZ PHE A 31 -9.409 -18.721 -9.636 1.00 0.00 C ATOM 0 H PHE A 31 -6.917 -20.476 -12.737 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.723 -18.700 -13.577 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.034 -16.956 -12.475 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.024 -17.809 -13.642 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.578 -19.661 -12.763 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.709 -16.795 -10.227 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.242 -20.125 -11.016 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.369 -17.258 -8.476 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.139 -18.925 -8.867 1.00 0.00 H new ATOM 435 N GLU A 32 -4.055 -18.051 -11.050 1.00 0.00 N ATOM 436 CA GLU A 32 -3.303 -18.056 -9.800 1.00 0.00 C ATOM 437 C GLU A 32 -3.166 -16.642 -9.242 1.00 0.00 C ATOM 438 O GLU A 32 -3.600 -15.673 -9.865 1.00 0.00 O ATOM 439 CB GLU A 32 -1.918 -18.668 -10.014 1.00 0.00 C ATOM 440 CG GLU A 32 -1.943 -20.173 -10.228 1.00 0.00 C ATOM 441 CD GLU A 32 -0.554 -20.769 -10.342 1.00 0.00 C ATOM 442 OE1 GLU A 32 0.391 -20.018 -10.660 1.00 0.00 O ATOM 443 OE2 GLU A 32 -0.412 -21.989 -10.113 1.00 0.00 O ATOM 0 H GLU A 32 -4.046 -17.159 -11.545 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.852 -18.661 -9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.450 -18.195 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.293 -18.443 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.470 -20.645 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.506 -20.398 -11.134 1.00 0.00 H new ATOM 450 N SER A 33 -2.558 -16.533 -8.065 1.00 0.00 N ATOM 451 CA SER A 33 -2.367 -15.239 -7.421 1.00 0.00 C ATOM 452 C SER A 33 -1.358 -14.393 -8.191 1.00 0.00 C ATOM 453 O SER A 33 -1.626 -13.240 -8.526 1.00 0.00 O ATOM 454 CB SER A 33 -1.895 -15.429 -5.978 1.00 0.00 C ATOM 455 OG SER A 33 -2.089 -14.249 -5.218 1.00 0.00 O ATOM 0 H SER A 33 -2.189 -17.325 -7.538 1.00 0.00 H new ATOM 0 HA SER A 33 -3.324 -14.718 -7.417 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.440 -16.254 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.839 -15.701 -5.970 1.00 0.00 H new ATOM 0 HG SER A 33 -1.781 -14.397 -4.300 1.00 0.00 H new ATOM 461 N GLY A 34 -0.195 -14.975 -8.468 1.00 0.00 N ATOM 462 CA GLY A 34 0.837 -14.261 -9.196 1.00 0.00 C ATOM 463 C GLY A 34 0.394 -13.863 -10.590 1.00 0.00 C ATOM 464 O GLY A 34 0.015 -14.702 -11.407 1.00 0.00 O ATOM 0 H GLY A 34 0.051 -15.928 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.118 -13.368 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.727 -14.887 -9.266 1.00 0.00 H new ATOM 468 N PRO A 35 0.436 -12.553 -10.877 1.00 0.00 N ATOM 469 CA PRO A 35 0.038 -12.015 -12.181 1.00 0.00 C ATOM 470 C PRO A 35 1.019 -12.389 -13.287 1.00 0.00 C ATOM 471 O PRO A 35 1.962 -13.148 -13.062 1.00 0.00 O ATOM 472 CB PRO A 35 0.038 -10.501 -11.956 1.00 0.00 C ATOM 473 CG PRO A 35 0.994 -10.286 -10.834 1.00 0.00 C ATOM 474 CD PRO A 35 0.876 -11.497 -9.950 1.00 0.00 C ATOM 0 HA PRO A 35 -0.923 -12.411 -12.508 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.353 -9.967 -12.853 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.958 -10.138 -11.703 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.012 -10.172 -11.206 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.752 -9.377 -10.284 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.827 -11.746 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.155 -11.340 -9.148 1.00 0.00 H new ATOM 482 N ARG A 36 0.791 -11.852 -14.481 1.00 0.00 N ATOM 483 CA ARG A 36 1.655 -12.131 -15.621 1.00 0.00 C ATOM 484 C ARG A 36 2.412 -10.877 -16.049 1.00 0.00 C ATOM 485 O ARG A 36 2.929 -10.802 -17.164 1.00 0.00 O ATOM 486 CB ARG A 36 0.831 -12.667 -16.793 1.00 0.00 C ATOM 487 CG ARG A 36 1.639 -13.503 -17.773 1.00 0.00 C ATOM 488 CD ARG A 36 0.852 -13.787 -19.043 1.00 0.00 C ATOM 489 NE ARG A 36 -0.196 -14.781 -18.828 1.00 0.00 N ATOM 490 CZ ARG A 36 -1.178 -15.012 -19.692 1.00 0.00 C ATOM 491 NH1 ARG A 36 -1.246 -14.324 -20.823 1.00 0.00 N ATOM 492 NH2 ARG A 36 -2.095 -15.934 -19.425 1.00 0.00 N ATOM 0 H ARG A 36 0.015 -11.221 -14.684 1.00 0.00 H new ATOM 0 HA ARG A 36 2.380 -12.887 -15.319 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.011 -13.270 -16.404 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.384 -11.828 -17.326 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.562 -12.980 -18.025 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.924 -14.444 -17.302 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.405 -12.862 -19.407 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.531 -14.139 -19.819 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.173 -15.328 -17.967 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.543 -13.615 -21.032 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.001 -14.504 -21.485 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.046 -16.466 -18.556 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.849 -16.111 -20.089 1.00 0.00 H new ATOM 506 N ILE A 37 2.471 -9.895 -15.156 1.00 0.00 N ATOM 507 CA ILE A 37 3.165 -8.645 -15.441 1.00 0.00 C ATOM 508 C ILE A 37 2.901 -8.183 -16.871 1.00 0.00 C ATOM 509 O ILE A 37 3.754 -7.560 -17.502 1.00 0.00 O ATOM 510 CB ILE A 37 4.684 -8.783 -15.231 1.00 0.00 C ATOM 511 CG1 ILE A 37 5.336 -7.402 -15.141 1.00 0.00 C ATOM 512 CG2 ILE A 37 5.303 -9.595 -16.359 1.00 0.00 C ATOM 513 CD1 ILE A 37 4.710 -6.505 -14.097 1.00 0.00 C ATOM 0 H ILE A 37 2.047 -9.941 -14.229 1.00 0.00 H new ATOM 0 HA ILE A 37 2.776 -7.903 -14.744 1.00 0.00 H new ATOM 0 HB ILE A 37 4.860 -9.309 -14.292 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.396 -7.523 -14.916 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.271 -6.914 -16.114 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.377 -9.684 -16.196 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.856 -10.589 -16.380 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.120 -9.095 -17.310 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.223 -5.543 -14.089 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.657 -6.353 -14.332 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.799 -6.971 -13.116 1.00 0.00 H new ATOM 525 N LYS A 38 1.711 -8.492 -17.376 1.00 0.00 N ATOM 526 CA LYS A 38 1.332 -8.108 -18.730 1.00 0.00 C ATOM 527 C LYS A 38 1.492 -6.604 -18.934 1.00 0.00 C ATOM 528 O LYS A 38 2.024 -6.158 -19.951 1.00 0.00 O ATOM 529 CB LYS A 38 -0.115 -8.520 -19.013 1.00 0.00 C ATOM 530 CG LYS A 38 -0.562 -8.232 -20.436 1.00 0.00 C ATOM 531 CD LYS A 38 -1.923 -8.844 -20.727 1.00 0.00 C ATOM 532 CE LYS A 38 -3.031 -8.116 -19.982 1.00 0.00 C ATOM 533 NZ LYS A 38 -4.230 -8.980 -19.789 1.00 0.00 N ATOM 0 H LYS A 38 0.993 -9.007 -16.867 1.00 0.00 H new ATOM 0 HA LYS A 38 1.993 -8.624 -19.426 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.226 -9.586 -18.815 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.775 -7.997 -18.321 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.605 -7.154 -20.594 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.173 -8.628 -21.137 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.118 -8.807 -21.799 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.920 -9.895 -20.440 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.660 -7.787 -19.011 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.314 -7.221 -20.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.963 -8.448 -19.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.599 -9.274 -20.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.966 -9.822 -19.239 1.00 0.00 H new ATOM 547 N LYS A 39 1.030 -5.828 -17.960 1.00 0.00 N ATOM 548 CA LYS A 39 1.124 -4.374 -18.030 1.00 0.00 C ATOM 549 C LYS A 39 2.579 -3.920 -17.977 1.00 0.00 C ATOM 550 O LYS A 39 3.486 -4.731 -17.790 1.00 0.00 O ATOM 551 CB LYS A 39 0.337 -3.736 -16.884 1.00 0.00 C ATOM 552 CG LYS A 39 0.863 -4.102 -15.507 1.00 0.00 C ATOM 553 CD LYS A 39 0.606 -2.994 -14.499 1.00 0.00 C ATOM 554 CE LYS A 39 1.303 -3.271 -13.176 1.00 0.00 C ATOM 555 NZ LYS A 39 2.753 -2.935 -13.233 1.00 0.00 N ATOM 0 H LYS A 39 0.586 -6.181 -17.112 1.00 0.00 H new ATOM 0 HA LYS A 39 0.696 -4.052 -18.979 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.362 -2.652 -16.997 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.707 -4.041 -16.958 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.387 -5.022 -15.167 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.933 -4.300 -15.566 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.956 -2.044 -14.904 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.467 -2.894 -14.332 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.826 -2.691 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.184 -4.323 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.193 -3.138 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.213 -3.507 -13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.867 -1.926 -13.456 1.00 0.00 H new ATOM 569 N SER A 40 2.795 -2.619 -18.140 1.00 0.00 N ATOM 570 CA SER A 40 4.140 -2.057 -18.113 1.00 0.00 C ATOM 571 C SER A 40 4.289 -1.058 -16.969 1.00 0.00 C ATOM 572 O SER A 40 3.322 -0.745 -16.273 1.00 0.00 O ATOM 573 CB SER A 40 4.459 -1.376 -19.445 1.00 0.00 C ATOM 574 OG SER A 40 5.847 -1.123 -19.570 1.00 0.00 O ATOM 0 H SER A 40 2.055 -1.934 -18.292 1.00 0.00 H new ATOM 0 HA SER A 40 4.844 -2.873 -17.953 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.126 -2.008 -20.269 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.907 -0.439 -19.519 1.00 0.00 H new ATOM 0 HG SER A 40 6.024 -0.689 -20.431 1.00 0.00 H new ATOM 580 N THR A 41 5.507 -0.561 -16.781 1.00 0.00 N ATOM 581 CA THR A 41 5.784 0.401 -15.722 1.00 0.00 C ATOM 582 C THR A 41 5.617 1.831 -16.221 1.00 0.00 C ATOM 583 O THR A 41 6.085 2.181 -17.303 1.00 0.00 O ATOM 584 CB THR A 41 7.210 0.228 -15.164 1.00 0.00 C ATOM 585 OG1 THR A 41 8.162 0.272 -16.232 1.00 0.00 O ATOM 586 CG2 THR A 41 7.342 -1.090 -14.415 1.00 0.00 C ATOM 0 H THR A 41 6.318 -0.809 -17.348 1.00 0.00 H new ATOM 0 HA THR A 41 5.064 0.210 -14.926 1.00 0.00 H new ATOM 0 HB THR A 41 7.406 1.044 -14.469 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.066 0.163 -15.869 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.357 -1.190 -14.030 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.636 -1.109 -13.585 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.128 -1.917 -15.093 1.00 0.00 H new ATOM 594 N GLY A 42 4.945 2.657 -15.423 1.00 0.00 N ATOM 595 CA GLY A 42 4.728 4.041 -15.802 1.00 0.00 C ATOM 596 C GLY A 42 3.256 4.390 -15.906 1.00 0.00 C ATOM 597 O GLY A 42 2.434 3.541 -16.251 1.00 0.00 O ATOM 0 H GLY A 42 4.548 2.392 -14.522 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.202 4.694 -15.069 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.212 4.232 -16.760 1.00 0.00 H new ATOM 601 N ILE A 43 2.924 5.640 -15.605 1.00 0.00 N ATOM 602 CA ILE A 43 1.542 6.099 -15.665 1.00 0.00 C ATOM 603 C ILE A 43 1.029 6.111 -17.101 1.00 0.00 C ATOM 604 O ILE A 43 1.774 6.352 -18.051 1.00 0.00 O ATOM 605 CB ILE A 43 1.389 7.509 -15.066 1.00 0.00 C ATOM 606 CG1 ILE A 43 2.340 8.487 -15.759 1.00 0.00 C ATOM 607 CG2 ILE A 43 1.651 7.479 -13.568 1.00 0.00 C ATOM 608 CD1 ILE A 43 1.716 9.207 -16.934 1.00 0.00 C ATOM 0 H ILE A 43 3.593 6.354 -15.317 1.00 0.00 H new ATOM 0 HA ILE A 43 0.952 5.398 -15.076 1.00 0.00 H new ATOM 0 HB ILE A 43 0.366 7.848 -15.230 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.683 9.224 -15.033 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.220 7.944 -16.102 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.539 8.483 -13.159 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.938 6.810 -13.087 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.664 7.123 -13.383 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.447 9.883 -17.376 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.398 8.479 -17.680 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.853 9.779 -16.594 1.00 0.00 H new ATOM 620 N PRO A 44 -0.276 5.845 -17.266 1.00 0.00 N ATOM 621 CA PRO A 44 -0.918 5.821 -18.583 1.00 0.00 C ATOM 622 C PRO A 44 -1.023 7.211 -19.202 1.00 0.00 C ATOM 623 O PRO A 44 -0.406 8.162 -18.723 1.00 0.00 O ATOM 624 CB PRO A 44 -2.312 5.262 -18.288 1.00 0.00 C ATOM 625 CG PRO A 44 -2.563 5.604 -16.860 1.00 0.00 C ATOM 626 CD PRO A 44 -1.223 5.548 -16.179 1.00 0.00 C ATOM 0 HA PRO A 44 -0.350 5.231 -19.302 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.063 5.708 -18.940 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.349 4.185 -18.449 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.006 6.596 -16.768 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.261 4.900 -16.407 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.151 6.278 -15.373 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.036 4.568 -15.740 1.00 0.00 H new ATOM 634 N ARG A 45 -1.807 7.321 -20.270 1.00 0.00 N ATOM 635 CA ARG A 45 -1.991 8.595 -20.955 1.00 0.00 C ATOM 636 C ARG A 45 -2.063 9.745 -19.954 1.00 0.00 C ATOM 637 O ARG A 45 -1.487 10.810 -20.174 1.00 0.00 O ATOM 638 CB ARG A 45 -3.263 8.563 -21.803 1.00 0.00 C ATOM 639 CG ARG A 45 -4.476 8.021 -21.063 1.00 0.00 C ATOM 640 CD ARG A 45 -5.763 8.302 -21.822 1.00 0.00 C ATOM 641 NE ARG A 45 -6.058 7.261 -22.804 1.00 0.00 N ATOM 642 CZ ARG A 45 -7.291 6.901 -23.144 1.00 0.00 C ATOM 643 NH1 ARG A 45 -8.337 7.494 -22.586 1.00 0.00 N ATOM 644 NH2 ARG A 45 -7.478 5.945 -24.045 1.00 0.00 N ATOM 0 H ARG A 45 -2.325 6.543 -20.679 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.132 8.756 -21.606 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.482 9.572 -22.152 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.084 7.951 -22.687 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.365 6.946 -20.918 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.531 8.472 -20.072 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.590 8.380 -21.117 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.683 9.265 -22.327 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.275 6.785 -23.253 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.197 8.229 -21.893 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.282 7.215 -22.850 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.675 5.487 -24.476 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.424 5.668 -24.306 1.00 0.00 H new ATOM 658 N SER A 46 -2.776 9.521 -18.854 1.00 0.00 N ATOM 659 CA SER A 46 -2.927 10.540 -17.821 1.00 0.00 C ATOM 660 C SER A 46 -3.411 11.855 -18.423 1.00 0.00 C ATOM 661 O SER A 46 -3.016 12.935 -17.983 1.00 0.00 O ATOM 662 CB SER A 46 -1.600 10.757 -17.091 1.00 0.00 C ATOM 663 OG SER A 46 -0.638 11.347 -17.948 1.00 0.00 O ATOM 0 H SER A 46 -3.258 8.644 -18.655 1.00 0.00 H new ATOM 0 HA SER A 46 -3.673 10.191 -17.107 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.759 11.396 -16.223 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.225 9.803 -16.720 1.00 0.00 H new ATOM 0 HG SER A 46 -1.037 11.502 -18.830 1.00 0.00 H new ATOM 669 N PHE A 47 -4.270 11.756 -19.433 1.00 0.00 N ATOM 670 CA PHE A 47 -4.808 12.938 -20.097 1.00 0.00 C ATOM 671 C PHE A 47 -6.085 12.598 -20.860 1.00 0.00 C ATOM 672 O PHE A 47 -6.477 11.435 -20.948 1.00 0.00 O ATOM 673 CB PHE A 47 -3.770 13.529 -21.054 1.00 0.00 C ATOM 674 CG PHE A 47 -2.785 14.441 -20.380 1.00 0.00 C ATOM 675 CD1 PHE A 47 -3.192 15.660 -19.861 1.00 0.00 C ATOM 676 CD2 PHE A 47 -1.452 14.080 -20.267 1.00 0.00 C ATOM 677 CE1 PHE A 47 -2.288 16.501 -19.241 1.00 0.00 C ATOM 678 CE2 PHE A 47 -0.544 14.918 -19.647 1.00 0.00 C ATOM 679 CZ PHE A 47 -0.962 16.130 -19.135 1.00 0.00 C ATOM 0 H PHE A 47 -4.608 10.870 -19.809 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.048 13.677 -19.332 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.228 12.716 -21.537 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.285 14.081 -21.840 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.228 15.956 -19.942 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.119 13.134 -20.668 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.618 17.448 -18.840 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.492 14.625 -19.563 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.253 16.787 -18.652 1.00 0.00 H new ATOM 689 N MET A 48 -6.729 13.623 -21.410 1.00 0.00 N ATOM 690 CA MET A 48 -7.961 13.433 -22.167 1.00 0.00 C ATOM 691 C MET A 48 -7.676 13.371 -23.664 1.00 0.00 C ATOM 692 O MET A 48 -8.461 12.817 -24.432 1.00 0.00 O ATOM 693 CB MET A 48 -8.946 14.565 -21.870 1.00 0.00 C ATOM 694 CG MET A 48 -8.420 15.942 -22.241 1.00 0.00 C ATOM 695 SD MET A 48 -8.613 16.310 -23.995 1.00 0.00 S ATOM 696 CE MET A 48 -9.717 17.718 -23.927 1.00 0.00 C ATOM 0 H MET A 48 -6.418 14.592 -21.346 1.00 0.00 H new ATOM 0 HA MET A 48 -8.404 12.485 -21.861 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.873 14.381 -22.413 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.191 14.553 -20.808 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.945 16.697 -21.656 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.365 16.008 -21.974 1.00 0.00 H new ATOM 0 HE1 MET A 48 -9.931 18.062 -24.939 1.00 0.00 H new ATOM 0 HE2 MET A 48 -10.647 17.428 -23.438 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.246 18.523 -23.363 1.00 0.00 H new ATOM 706 N MET A 49 -6.548 13.944 -24.071 1.00 0.00 N ATOM 707 CA MET A 49 -6.159 13.953 -25.477 1.00 0.00 C ATOM 708 C MET A 49 -5.077 12.913 -25.748 1.00 0.00 C ATOM 709 O MET A 49 -4.228 12.651 -24.896 1.00 0.00 O ATOM 710 CB MET A 49 -5.661 15.342 -25.882 1.00 0.00 C ATOM 711 CG MET A 49 -4.328 15.716 -25.254 1.00 0.00 C ATOM 712 SD MET A 49 -3.380 16.863 -26.271 1.00 0.00 S ATOM 713 CE MET A 49 -2.884 18.072 -25.046 1.00 0.00 C ATOM 0 H MET A 49 -5.887 14.408 -23.448 1.00 0.00 H new ATOM 0 HA MET A 49 -7.037 13.702 -26.073 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.567 15.383 -26.967 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.408 16.084 -25.599 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.504 16.164 -24.276 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.742 14.812 -25.090 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.288 18.850 -25.523 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.771 18.519 -24.596 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.291 17.584 -24.272 1.00 0.00 H new ATOM 723 N GLU A 50 -5.114 12.323 -26.939 1.00 0.00 N ATOM 724 CA GLU A 50 -4.137 11.311 -27.320 1.00 0.00 C ATOM 725 C GLU A 50 -3.122 11.879 -28.308 1.00 0.00 C ATOM 726 O GLU A 50 -2.396 11.135 -28.967 1.00 0.00 O ATOM 727 CB GLU A 50 -4.839 10.098 -27.935 1.00 0.00 C ATOM 728 CG GLU A 50 -5.673 9.309 -26.940 1.00 0.00 C ATOM 729 CD GLU A 50 -5.771 7.839 -27.297 1.00 0.00 C ATOM 730 OE1 GLU A 50 -6.100 7.532 -28.462 1.00 0.00 O ATOM 731 OE2 GLU A 50 -5.521 6.995 -26.411 1.00 0.00 O ATOM 0 H GLU A 50 -5.810 12.529 -27.656 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.607 10.998 -26.420 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.481 10.434 -28.749 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.090 9.438 -28.372 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.237 9.409 -25.946 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.675 9.735 -26.893 1.00 0.00 H new ATOM 738 N VAL A 51 -3.078 13.204 -28.406 1.00 0.00 N ATOM 739 CA VAL A 51 -2.153 13.874 -29.312 1.00 0.00 C ATOM 740 C VAL A 51 -1.071 14.621 -28.540 1.00 0.00 C ATOM 741 O VAL A 51 -1.331 15.193 -27.482 1.00 0.00 O ATOM 742 CB VAL A 51 -2.889 14.865 -30.234 1.00 0.00 C ATOM 743 CG1 VAL A 51 -1.902 15.583 -31.142 1.00 0.00 C ATOM 744 CG2 VAL A 51 -3.951 14.145 -31.050 1.00 0.00 C ATOM 0 H VAL A 51 -3.673 13.835 -27.869 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.689 13.098 -29.922 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.385 15.612 -29.614 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.440 16.279 -31.786 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.183 16.133 -30.535 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.375 14.853 -31.757 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.461 14.860 -31.696 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.480 13.375 -31.662 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.674 13.683 -30.378 1.00 0.00 H new ATOM 754 N LYS A 52 0.144 14.613 -29.078 1.00 0.00 N ATOM 755 CA LYS A 52 1.267 15.291 -28.442 1.00 0.00 C ATOM 756 C LYS A 52 1.835 16.374 -29.353 1.00 0.00 C ATOM 757 O LYS A 52 1.653 16.334 -30.570 1.00 0.00 O ATOM 758 CB LYS A 52 2.362 14.283 -28.085 1.00 0.00 C ATOM 759 CG LYS A 52 2.063 13.478 -26.832 1.00 0.00 C ATOM 760 CD LYS A 52 1.072 12.361 -27.110 1.00 0.00 C ATOM 761 CE LYS A 52 1.733 11.197 -27.832 1.00 0.00 C ATOM 762 NZ LYS A 52 2.415 10.272 -26.885 1.00 0.00 N ATOM 0 H LYS A 52 0.376 14.144 -29.954 1.00 0.00 H new ATOM 0 HA LYS A 52 0.905 15.763 -27.529 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.501 13.599 -28.922 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.304 14.815 -27.949 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.988 13.055 -26.441 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.663 14.137 -26.062 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.643 12.012 -26.171 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.249 12.745 -27.713 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.981 10.647 -28.399 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.457 11.580 -28.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.853 9.492 -27.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.150 10.790 -26.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.719 9.887 -26.215 1.00 0.00 H new ATOM 776 N ASP A 53 2.525 17.340 -28.757 1.00 0.00 N ATOM 777 CA ASP A 53 3.123 18.433 -29.515 1.00 0.00 C ATOM 778 C ASP A 53 4.632 18.485 -29.296 1.00 0.00 C ATOM 779 O ASP A 53 5.144 18.108 -28.241 1.00 0.00 O ATOM 780 CB ASP A 53 2.490 19.766 -29.114 1.00 0.00 C ATOM 781 CG ASP A 53 2.443 19.956 -27.611 1.00 0.00 C ATOM 782 OD1 ASP A 53 3.522 20.085 -26.995 1.00 0.00 O ATOM 783 OD2 ASP A 53 1.327 19.976 -27.050 1.00 0.00 O ATOM 0 H ASP A 53 2.684 17.389 -27.751 1.00 0.00 H new ATOM 0 HA ASP A 53 2.934 18.254 -30.574 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.055 20.583 -29.563 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.478 19.820 -29.516 1.00 0.00 H new ATOM 788 N PRO A 54 5.362 18.963 -30.314 1.00 0.00 N ATOM 789 CA PRO A 54 6.822 19.075 -30.257 1.00 0.00 C ATOM 790 C PRO A 54 7.283 20.161 -29.290 1.00 0.00 C ATOM 791 O PRO A 54 8.129 19.920 -28.430 1.00 0.00 O ATOM 792 CB PRO A 54 7.207 19.440 -31.693 1.00 0.00 C ATOM 793 CG PRO A 54 5.995 20.101 -32.253 1.00 0.00 C ATOM 794 CD PRO A 54 4.818 19.430 -31.601 1.00 0.00 C ATOM 0 HA PRO A 54 7.287 18.157 -29.897 1.00 0.00 H new ATOM 0 HB2 PRO A 54 8.068 20.108 -31.715 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.476 18.554 -32.268 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.001 21.170 -32.041 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.956 19.991 -33.337 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.988 20.123 -31.459 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.443 18.602 -32.203 1.00 0.00 H new ATOM 802 N ASN A 55 6.720 21.355 -29.437 1.00 0.00 N ATOM 803 CA ASN A 55 7.073 22.478 -28.576 1.00 0.00 C ATOM 804 C ASN A 55 6.632 22.221 -27.138 1.00 0.00 C ATOM 805 O ASN A 55 7.460 22.296 -26.232 1.00 0.00 O ATOM 806 CB ASN A 55 6.432 23.767 -29.095 1.00 0.00 C ATOM 807 CG ASN A 55 6.743 24.962 -28.214 1.00 0.00 C ATOM 808 OD1 ASN A 55 7.849 25.088 -27.687 1.00 0.00 O ATOM 809 ND2 ASN A 55 5.767 25.847 -28.052 1.00 0.00 N ATOM 0 H ASN A 55 6.017 21.570 -30.144 1.00 0.00 H new ATOM 0 HA ASN A 55 8.157 22.588 -28.591 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.785 23.963 -30.107 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.352 23.634 -29.155 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.918 26.672 -27.472 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.866 25.702 -28.508 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.094 -10.996 -8.599 1.00 0.00 ZN