USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 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: B 27 HIS HE2 : B 27 HIS NE2 : B 37 ZNZN :(H bumps) USER MOD Single : A 206 ASN : amide:sc= -0.611! X(o=-0.61!,f=-0.14) USER MOD Single : A 210 THR OG1 : rot -49:sc= 1.38 USER MOD Single : A 212 THR OG1 : rot -111:sc= 0.909 USER MOD Single : A 220 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 222 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-6.9!) USER MOD Single : A 223 TYR OH : rot 180:sc= 0.264 USER MOD Single : A 226 ASN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS : no HD1:sc= -1.1! C(o=-1.1!,f=-5.1!) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= -0.631 X(o=-0.63,f=-0.86) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 ASN : amide:sc= 1.16 K(o=1.2,f=-1.5) USER MOD Single : B 1 GLY N :NH3+ -130:sc= 0.0776 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 72:sc= 0.394 USER MOD Single : B 22 SER OG : rot 118:sc= 1.11 USER MOD Single : B 23 THR OG1 : rot 130:sc= 0.318 USER MOD Single : B 28 GLN : amide:sc= 0.754 K(o=0.75,f=-0.17) USER MOD Single : B 30 TYR OH : rot -108:sc= 0.122 USER MOD Single : B 31 TYR OH : rot 71:sc= 1.12 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS :FLIP no HD1:sc= -0.318 F(o=-1.7,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -2.442 13.554 0.328 1.00 1.00 N ATOM 2 CA GLU A 200 -2.450 14.551 1.423 1.00 1.00 C ATOM 3 C GLU A 200 -2.863 13.901 2.735 1.00 1.00 C ATOM 4 O GLU A 200 -2.269 14.157 3.780 1.00 1.00 O ATOM 5 CB GLU A 200 -3.397 15.705 1.091 1.00 1.00 C ATOM 6 CG GLU A 200 -3.035 16.440 -0.189 1.00 1.00 C ATOM 7 CD GLU A 200 -1.539 16.495 -0.413 1.00 1.00 C ATOM 8 OE1 GLU A 200 -0.868 17.341 0.207 1.00 1.00 O ATOM 9 OE2 GLU A 200 -1.029 15.660 -1.187 1.00 1.00 O ATOM 0 HA GLU A 200 -1.440 14.946 1.530 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -4.412 15.317 1.003 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -3.397 16.414 1.919 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -3.510 15.946 -1.037 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -3.432 17.454 -0.148 1.00 1.00 H new ATOM 16 N ALA A 201 -3.893 13.065 2.680 1.00 1.00 N ATOM 17 CA ALA A 201 -4.367 12.377 3.871 1.00 1.00 C ATOM 18 C ALA A 201 -3.697 11.016 4.010 1.00 1.00 C ATOM 19 O ALA A 201 -3.354 10.592 5.111 1.00 1.00 O ATOM 20 CB ALA A 201 -5.876 12.219 3.818 1.00 1.00 C ATOM 0 H ALA A 201 -4.412 12.849 1.829 1.00 1.00 H new ATOM 0 HA ALA A 201 -4.106 12.977 4.743 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -6.219 11.703 4.714 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -6.343 13.202 3.764 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -6.150 11.638 2.937 1.00 1.00 H new ATOM 26 N ARG A 202 -3.521 10.343 2.879 1.00 1.00 N ATOM 27 CA ARG A 202 -2.900 9.026 2.841 1.00 1.00 C ATOM 28 C ARG A 202 -2.638 8.646 1.385 1.00 1.00 C ATOM 29 O ARG A 202 -3.153 9.301 0.474 1.00 1.00 O ATOM 30 CB ARG A 202 -3.816 7.997 3.528 1.00 1.00 C ATOM 31 CG ARG A 202 -3.175 6.643 3.800 1.00 1.00 C ATOM 32 CD ARG A 202 -1.834 6.767 4.508 1.00 1.00 C ATOM 33 NE ARG A 202 -1.886 7.646 5.677 1.00 1.00 N ATOM 34 CZ ARG A 202 -0.850 8.371 6.100 1.00 1.00 C ATOM 35 NH1 ARG A 202 0.297 8.338 5.435 1.00 1.00 N ATOM 36 NH2 ARG A 202 -0.966 9.135 7.179 1.00 1.00 N ATOM 0 H ARG A 202 -3.804 10.695 1.964 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.951 9.041 3.378 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -4.161 8.415 4.474 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -4.698 7.846 2.906 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.850 6.041 4.408 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.037 6.113 2.857 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -1.500 5.777 4.819 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -1.092 7.148 3.806 1.00 1.00 H new ATOM 0 HE ARG A 202 -2.762 7.707 6.196 1.00 1.00 H new ATOM 0 HH11 ARG A 202 0.386 7.758 4.601 1.00 1.00 H new ATOM 0 HH12 ARG A 202 1.090 8.892 5.758 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -1.850 9.169 7.687 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -0.172 9.688 7.500 1.00 1.00 H new ATOM 50 N GLU A 203 -1.819 7.629 1.165 1.00 1.00 N ATOM 51 CA GLU A 203 -1.510 7.171 -0.181 1.00 1.00 C ATOM 52 C GLU A 203 -2.088 5.773 -0.403 1.00 1.00 C ATOM 53 O GLU A 203 -2.540 5.126 0.542 1.00 1.00 O ATOM 54 CB GLU A 203 0.007 7.145 -0.431 1.00 1.00 C ATOM 55 CG GLU A 203 0.842 7.919 0.584 1.00 1.00 C ATOM 56 CD GLU A 203 1.077 7.143 1.868 1.00 1.00 C ATOM 57 OE1 GLU A 203 1.779 6.110 1.834 1.00 1.00 O ATOM 58 OE2 GLU A 203 0.560 7.565 2.918 1.00 1.00 O ATOM 0 H GLU A 203 -1.354 7.103 1.905 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.961 7.872 -0.883 1.00 1.00 H new ATOM 0 HB2 GLU A 203 0.341 6.107 -0.438 1.00 1.00 H new ATOM 0 HB3 GLU A 203 0.203 7.549 -1.424 1.00 1.00 H new ATOM 0 HG2 GLU A 203 1.803 8.174 0.138 1.00 1.00 H new ATOM 0 HG3 GLU A 203 0.341 8.858 0.819 1.00 1.00 H new ATOM 65 N CYS A 204 -2.065 5.316 -1.650 1.00 1.00 N ATOM 66 CA CYS A 204 -2.570 3.999 -1.998 1.00 1.00 C ATOM 67 C CYS A 204 -1.519 3.246 -2.810 1.00 1.00 C ATOM 68 O CYS A 204 -0.637 3.856 -3.418 1.00 1.00 O ATOM 69 CB CYS A 204 -3.882 4.120 -2.788 1.00 1.00 C ATOM 70 SG CYS A 204 -4.450 2.573 -3.570 1.00 1.00 S ATOM 0 H CYS A 204 -1.698 5.846 -2.441 1.00 1.00 H new ATOM 0 HA CYS A 204 -2.776 3.442 -1.084 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.662 4.479 -2.117 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -3.755 4.877 -3.562 1.00 1.00 H new ATOM 75 N VAL A 205 -1.631 1.927 -2.827 1.00 1.00 N ATOM 76 CA VAL A 205 -0.688 1.078 -3.545 1.00 1.00 C ATOM 77 C VAL A 205 -1.151 0.792 -4.968 1.00 1.00 C ATOM 78 O VAL A 205 -0.414 0.202 -5.762 1.00 1.00 O ATOM 79 CB VAL A 205 -0.492 -0.268 -2.819 1.00 1.00 C ATOM 80 CG1 VAL A 205 -0.075 -0.042 -1.381 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.760 -1.108 -2.879 1.00 1.00 C ATOM 0 H VAL A 205 -2.372 1.416 -2.348 1.00 1.00 H new ATOM 0 HA VAL A 205 0.254 1.625 -3.579 1.00 1.00 H new ATOM 0 HB VAL A 205 0.302 -0.814 -3.329 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.058 -1.004 -0.885 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.864 0.512 -1.357 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.846 0.529 -0.864 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -1.596 -2.052 -2.360 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -2.577 -0.568 -2.400 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.016 -1.306 -3.920 1.00 1.00 H new ATOM 91 N ASN A 206 -2.371 1.196 -5.285 1.00 1.00 N ATOM 92 CA ASN A 206 -2.926 0.955 -6.612 1.00 1.00 C ATOM 93 C ASN A 206 -3.440 2.237 -7.241 1.00 1.00 C ATOM 94 O ASN A 206 -3.401 2.400 -8.462 1.00 1.00 O ATOM 95 CB ASN A 206 -4.058 -0.070 -6.537 1.00 1.00 C ATOM 96 CG ASN A 206 -3.623 -1.456 -6.965 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.815 -1.854 -8.114 1.00 1.00 O ATOM 98 ND2 ASN A 206 -3.027 -2.201 -6.046 1.00 1.00 N ATOM 0 H ASN A 206 -2.995 1.690 -4.647 1.00 1.00 H new ATOM 0 HA ASN A 206 -2.123 0.565 -7.238 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.437 -0.112 -5.516 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.882 0.259 -7.170 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -2.708 -3.141 -6.280 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -2.887 -1.834 -5.105 1.00 1.00 H new ATOM 105 N CYS A 207 -3.922 3.146 -6.409 1.00 1.00 N ATOM 106 CA CYS A 207 -4.455 4.406 -6.890 1.00 1.00 C ATOM 107 C CYS A 207 -3.505 5.555 -6.582 1.00 1.00 C ATOM 108 O CYS A 207 -3.076 6.281 -7.478 1.00 1.00 O ATOM 109 CB CYS A 207 -5.818 4.667 -6.247 1.00 1.00 C ATOM 110 SG CYS A 207 -6.881 3.189 -6.126 1.00 1.00 S ATOM 0 H CYS A 207 -3.954 3.033 -5.396 1.00 1.00 H new ATOM 0 HA CYS A 207 -4.569 4.342 -7.972 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -5.664 5.073 -5.247 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -6.340 5.430 -6.824 1.00 1.00 H new ATOM 115 N GLY A 208 -3.179 5.708 -5.310 1.00 1.00 N ATOM 116 CA GLY A 208 -2.302 6.780 -4.892 1.00 1.00 C ATOM 117 C GLY A 208 -3.027 8.106 -4.896 1.00 1.00 C ATOM 118 O GLY A 208 -2.416 9.168 -5.026 1.00 1.00 O ATOM 0 H GLY A 208 -3.508 5.106 -4.555 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -1.920 6.573 -3.892 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -1.441 6.830 -5.558 1.00 1.00 H new ATOM 122 N ALA A 209 -4.340 8.035 -4.758 1.00 1.00 N ATOM 123 CA ALA A 209 -5.176 9.218 -4.746 1.00 1.00 C ATOM 124 C ALA A 209 -5.655 9.520 -3.335 1.00 1.00 C ATOM 125 O ALA A 209 -5.997 8.617 -2.578 1.00 1.00 O ATOM 126 CB ALA A 209 -6.355 9.043 -5.688 1.00 1.00 C ATOM 0 H ALA A 209 -4.852 7.159 -4.652 1.00 1.00 H new ATOM 0 HA ALA A 209 -4.583 10.064 -5.092 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -6.973 9.940 -5.668 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -5.990 8.877 -6.701 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -6.949 8.186 -5.372 1.00 1.00 H new ATOM 132 N THR A 210 -5.687 10.795 -2.999 1.00 1.00 N ATOM 133 CA THR A 210 -6.107 11.237 -1.680 1.00 1.00 C ATOM 134 C THR A 210 -7.481 11.908 -1.748 1.00 1.00 C ATOM 135 O THR A 210 -7.886 12.621 -0.826 1.00 1.00 O ATOM 136 CB THR A 210 -5.057 12.215 -1.089 1.00 1.00 C ATOM 137 OG1 THR A 210 -5.338 12.515 0.287 1.00 1.00 O ATOM 138 CG2 THR A 210 -5.002 13.507 -1.894 1.00 1.00 C ATOM 0 H THR A 210 -5.424 11.553 -3.629 1.00 1.00 H new ATOM 0 HA THR A 210 -6.184 10.366 -1.029 1.00 1.00 H new ATOM 0 HB THR A 210 -4.088 11.720 -1.146 1.00 1.00 H new ATOM 0 HG1 THR A 210 -6.280 12.769 0.381 1.00 1.00 H new ATOM 0 HG21 THR A 210 -4.259 14.175 -1.459 1.00 1.00 H new ATOM 0 HG22 THR A 210 -4.729 13.282 -2.925 1.00 1.00 H new ATOM 0 HG23 THR A 210 -5.979 13.990 -1.875 1.00 1.00 H new ATOM 146 N ALA A 211 -8.206 11.642 -2.832 1.00 1.00 N ATOM 147 CA ALA A 211 -9.518 12.247 -3.046 1.00 1.00 C ATOM 148 C ALA A 211 -10.670 11.359 -2.578 1.00 1.00 C ATOM 149 O ALA A 211 -11.834 11.746 -2.688 1.00 1.00 O ATOM 150 CB ALA A 211 -9.696 12.597 -4.514 1.00 1.00 C ATOM 0 H ALA A 211 -7.907 11.011 -3.576 1.00 1.00 H new ATOM 0 HA ALA A 211 -9.550 13.152 -2.439 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -10.677 13.048 -4.664 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -8.922 13.303 -4.816 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -9.616 11.692 -5.116 1.00 1.00 H new ATOM 156 N THR A 212 -10.367 10.172 -2.068 1.00 1.00 N ATOM 157 CA THR A 212 -11.416 9.283 -1.592 1.00 1.00 C ATOM 158 C THR A 212 -12.043 9.848 -0.311 1.00 1.00 C ATOM 159 O THR A 212 -11.337 10.265 0.608 1.00 1.00 O ATOM 160 CB THR A 212 -10.900 7.841 -1.357 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.962 6.999 -0.884 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.747 7.816 -0.367 1.00 1.00 C ATOM 0 H THR A 212 -9.419 9.808 -1.974 1.00 1.00 H new ATOM 0 HA THR A 212 -12.177 9.226 -2.370 1.00 1.00 H new ATOM 0 HB THR A 212 -10.538 7.463 -2.313 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.791 6.749 0.048 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.410 6.789 -0.226 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.924 8.418 -0.752 1.00 1.00 H new ATOM 0 HG23 THR A 212 -10.079 8.223 0.588 1.00 1.00 H new ATOM 170 N PRO A 213 -13.383 9.896 -0.251 1.00 1.00 N ATOM 171 CA PRO A 213 -14.108 10.429 0.910 1.00 1.00 C ATOM 172 C PRO A 213 -13.985 9.550 2.150 1.00 1.00 C ATOM 173 O PRO A 213 -14.227 9.999 3.269 1.00 1.00 O ATOM 174 CB PRO A 213 -15.559 10.468 0.433 1.00 1.00 C ATOM 175 CG PRO A 213 -15.638 9.440 -0.641 1.00 1.00 C ATOM 176 CD PRO A 213 -14.298 9.446 -1.317 1.00 1.00 C ATOM 0 HA PRO A 213 -13.710 11.397 1.216 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -16.248 10.243 1.247 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.824 11.455 0.055 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.861 8.457 -0.225 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -16.433 9.675 -1.348 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -14.029 8.456 -1.687 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -14.282 10.121 -2.173 1.00 1.00 H new ATOM 184 N LEU A 214 -13.620 8.296 1.946 1.00 1.00 N ATOM 185 CA LEU A 214 -13.466 7.360 3.044 1.00 1.00 C ATOM 186 C LEU A 214 -12.275 6.454 2.787 1.00 1.00 C ATOM 187 O LEU A 214 -12.128 5.915 1.690 1.00 1.00 O ATOM 188 CB LEU A 214 -14.741 6.526 3.220 1.00 1.00 C ATOM 189 CG LEU A 214 -14.728 5.551 4.401 1.00 1.00 C ATOM 190 CD1 LEU A 214 -14.564 6.302 5.714 1.00 1.00 C ATOM 191 CD2 LEU A 214 -16.001 4.717 4.417 1.00 1.00 C ATOM 0 H LEU A 214 -13.424 7.902 1.026 1.00 1.00 H new ATOM 0 HA LEU A 214 -13.293 7.921 3.962 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -15.586 7.205 3.340 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.914 5.960 2.305 1.00 1.00 H new ATOM 0 HG LEU A 214 -13.878 4.879 4.283 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -14.557 5.592 6.541 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -13.624 6.854 5.702 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -15.393 6.999 5.841 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -15.975 4.030 5.263 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -16.865 5.374 4.510 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -16.075 4.149 3.490 1.00 1.00 H new ATOM 203 N TRP A 215 -11.429 6.304 3.792 1.00 1.00 N ATOM 204 CA TRP A 215 -10.245 5.466 3.684 1.00 1.00 C ATOM 205 C TRP A 215 -10.513 4.099 4.291 1.00 1.00 C ATOM 206 O TRP A 215 -11.378 3.955 5.158 1.00 1.00 O ATOM 207 CB TRP A 215 -9.060 6.129 4.383 1.00 1.00 C ATOM 208 CG TRP A 215 -8.634 7.403 3.724 1.00 1.00 C ATOM 209 CD1 TRP A 215 -9.041 8.664 4.041 1.00 1.00 C ATOM 210 CD2 TRP A 215 -7.727 7.538 2.628 1.00 1.00 C ATOM 211 NE1 TRP A 215 -8.441 9.577 3.212 1.00 1.00 N ATOM 212 CE2 TRP A 215 -7.628 8.912 2.335 1.00 1.00 C ATOM 213 CE3 TRP A 215 -6.989 6.632 1.867 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -6.820 9.397 1.311 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -6.187 7.113 0.851 1.00 1.00 C ATOM 216 CH2 TRP A 215 -6.107 8.485 0.583 1.00 1.00 C ATOM 0 H TRP A 215 -11.541 6.756 4.700 1.00 1.00 H new ATOM 0 HA TRP A 215 -10.002 5.341 2.629 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -9.324 6.333 5.421 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -8.219 5.435 4.399 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -9.736 8.909 4.831 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -8.578 10.587 3.244 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -7.044 5.572 2.069 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -6.758 10.454 1.099 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.613 6.420 0.254 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -5.468 8.831 -0.216 1.00 1.00 H new ATOM 227 N ARG A 216 -9.779 3.099 3.836 1.00 1.00 N ATOM 228 CA ARG A 216 -9.954 1.752 4.342 1.00 1.00 C ATOM 229 C ARG A 216 -8.655 1.210 4.921 1.00 1.00 C ATOM 230 O ARG A 216 -7.724 0.871 4.188 1.00 1.00 O ATOM 231 CB ARG A 216 -10.467 0.824 3.239 1.00 1.00 C ATOM 232 CG ARG A 216 -10.788 -0.581 3.727 1.00 1.00 C ATOM 233 CD ARG A 216 -11.865 -0.572 4.797 1.00 1.00 C ATOM 234 NE ARG A 216 -11.412 -1.194 6.043 1.00 1.00 N ATOM 235 CZ ARG A 216 -12.092 -2.140 6.694 1.00 1.00 C ATOM 236 NH1 ARG A 216 -13.241 -2.592 6.206 1.00 1.00 N ATOM 237 NH2 ARG A 216 -11.617 -2.638 7.828 1.00 1.00 N ATOM 0 H ARG A 216 -9.059 3.195 3.120 1.00 1.00 H new ATOM 0 HA ARG A 216 -10.694 1.791 5.141 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -11.363 1.260 2.796 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -9.718 0.763 2.449 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -11.116 -1.192 2.886 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.884 -1.044 4.124 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -12.169 0.456 4.996 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -12.745 -1.099 4.429 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.523 -0.886 6.437 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -13.607 -2.216 5.331 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.758 -3.315 6.706 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -10.731 -2.298 8.203 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -12.137 -3.361 8.325 1.00 1.00 H new ATOM 251 N ARG A 217 -8.601 1.144 6.240 1.00 1.00 N ATOM 252 CA ARG A 217 -7.434 0.624 6.930 1.00 1.00 C ATOM 253 C ARG A 217 -7.678 -0.833 7.288 1.00 1.00 C ATOM 254 O ARG A 217 -8.805 -1.216 7.618 1.00 1.00 O ATOM 255 CB ARG A 217 -7.137 1.437 8.193 1.00 1.00 C ATOM 256 CG ARG A 217 -5.731 1.229 8.735 1.00 1.00 C ATOM 257 CD ARG A 217 -5.563 1.881 10.098 1.00 1.00 C ATOM 258 NE ARG A 217 -4.159 1.981 10.493 1.00 1.00 N ATOM 259 CZ ARG A 217 -3.707 1.701 11.713 1.00 1.00 C ATOM 260 NH1 ARG A 217 -4.534 1.242 12.646 1.00 1.00 N ATOM 261 NH2 ARG A 217 -2.421 1.869 11.994 1.00 1.00 N ATOM 0 H ARG A 217 -9.355 1.446 6.857 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.568 0.702 6.272 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -7.281 2.495 7.976 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.858 1.169 8.965 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -5.523 0.162 8.812 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -5.005 1.646 8.038 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -6.005 2.877 10.079 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -6.109 1.304 10.845 1.00 1.00 H new ATOM 0 HE ARG A 217 -3.484 2.284 9.790 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -5.521 1.103 12.429 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -4.182 1.029 13.579 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -1.783 2.212 11.276 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -2.071 1.655 12.928 1.00 1.00 H new ATOM 275 N ASP A 218 -6.637 -1.641 7.208 1.00 1.00 N ATOM 276 CA ASP A 218 -6.753 -3.058 7.514 1.00 1.00 C ATOM 277 C ASP A 218 -6.018 -3.392 8.814 1.00 1.00 C ATOM 278 O ASP A 218 -5.160 -2.630 9.265 1.00 1.00 O ATOM 279 CB ASP A 218 -6.229 -3.889 6.329 1.00 1.00 C ATOM 280 CG ASP A 218 -5.087 -4.815 6.687 1.00 1.00 C ATOM 281 OD1 ASP A 218 -3.935 -4.355 6.726 1.00 1.00 O ATOM 282 OD2 ASP A 218 -5.338 -6.021 6.916 1.00 1.00 O ATOM 0 H ASP A 218 -5.701 -1.342 6.934 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.802 -3.310 7.666 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -7.049 -4.480 5.922 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.901 -3.212 5.540 1.00 1.00 H new ATOM 287 N ARG A 219 -6.374 -4.530 9.408 1.00 1.00 N ATOM 288 CA ARG A 219 -5.783 -4.995 10.664 1.00 1.00 C ATOM 289 C ARG A 219 -4.269 -5.195 10.553 1.00 1.00 C ATOM 290 O ARG A 219 -3.540 -5.040 11.534 1.00 1.00 O ATOM 291 CB ARG A 219 -6.458 -6.305 11.088 1.00 1.00 C ATOM 292 CG ARG A 219 -5.838 -6.955 12.316 1.00 1.00 C ATOM 293 CD ARG A 219 -6.065 -6.121 13.566 1.00 1.00 C ATOM 294 NE ARG A 219 -5.246 -6.581 14.684 1.00 1.00 N ATOM 295 CZ ARG A 219 -5.483 -6.278 15.959 1.00 1.00 C ATOM 296 NH1 ARG A 219 -6.534 -5.538 16.286 1.00 1.00 N ATOM 297 NH2 ARG A 219 -4.666 -6.719 16.904 1.00 1.00 N ATOM 0 H ARG A 219 -7.083 -5.159 9.031 1.00 1.00 H new ATOM 0 HA ARG A 219 -5.950 -4.226 11.418 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -7.512 -6.110 11.286 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.415 -7.009 10.257 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -6.265 -7.948 12.458 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -4.768 -7.089 12.156 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -5.835 -5.077 13.353 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.118 -6.165 13.845 1.00 1.00 H new ATOM 0 HE ARG A 219 -4.441 -7.172 14.475 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -7.165 -5.199 15.560 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -6.712 -5.308 17.264 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -3.858 -7.289 16.654 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -4.845 -6.488 17.881 1.00 1.00 H new ATOM 311 N THR A 220 -3.800 -5.536 9.365 1.00 1.00 N ATOM 312 CA THR A 220 -2.379 -5.760 9.137 1.00 1.00 C ATOM 313 C THR A 220 -1.609 -4.435 9.065 1.00 1.00 C ATOM 314 O THR A 220 -0.378 -4.418 9.052 1.00 1.00 O ATOM 315 CB THR A 220 -2.159 -6.559 7.839 1.00 1.00 C ATOM 316 OG1 THR A 220 -3.235 -7.489 7.657 1.00 1.00 O ATOM 317 CG2 THR A 220 -0.837 -7.313 7.874 1.00 1.00 C ATOM 0 H THR A 220 -4.384 -5.665 8.539 1.00 1.00 H new ATOM 0 HA THR A 220 -1.998 -6.334 9.981 1.00 1.00 H new ATOM 0 HB THR A 220 -2.131 -5.855 7.007 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.005 -7.026 7.266 1.00 1.00 H new ATOM 0 HG21 THR A 220 -0.710 -7.868 6.944 1.00 1.00 H new ATOM 0 HG22 THR A 220 -0.017 -6.604 7.989 1.00 1.00 H new ATOM 0 HG23 THR A 220 -0.837 -8.008 8.714 1.00 1.00 H new ATOM 325 N GLY A 221 -2.347 -3.331 9.019 1.00 1.00 N ATOM 326 CA GLY A 221 -1.733 -2.017 8.955 1.00 1.00 C ATOM 327 C GLY A 221 -1.639 -1.494 7.538 1.00 1.00 C ATOM 328 O GLY A 221 -0.880 -0.564 7.260 1.00 1.00 O ATOM 0 H GLY A 221 -3.367 -3.323 9.025 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -2.311 -1.319 9.560 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -0.734 -2.064 9.389 1.00 1.00 H new ATOM 332 N HIS A 222 -2.405 -2.095 6.638 1.00 1.00 N ATOM 333 CA HIS A 222 -2.405 -1.684 5.241 1.00 1.00 C ATOM 334 C HIS A 222 -3.251 -0.439 5.044 1.00 1.00 C ATOM 335 O HIS A 222 -4.331 -0.312 5.623 1.00 1.00 O ATOM 336 CB HIS A 222 -2.933 -2.805 4.342 1.00 1.00 C ATOM 337 CG HIS A 222 -1.897 -3.807 3.962 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.856 -4.409 2.726 1.00 1.00 N ATOM 339 CD2 HIS A 222 -0.849 -4.305 4.656 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.831 -5.231 2.678 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.200 -5.188 3.835 1.00 1.00 N ATOM 0 H HIS A 222 -3.034 -2.869 6.850 1.00 1.00 H new ATOM 0 HA HIS A 222 -1.374 -1.462 4.964 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -3.749 -3.315 4.854 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.351 -2.366 3.436 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.575 -4.053 5.670 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.552 -5.840 1.831 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.633 -5.724 4.078 1.00 1.00 H new ATOM 350 N TYR A 223 -2.742 0.478 4.240 1.00 1.00 N ATOM 351 CA TYR A 223 -3.441 1.714 3.940 1.00 1.00 C ATOM 352 C TYR A 223 -3.897 1.712 2.492 1.00 1.00 C ATOM 353 O TYR A 223 -3.082 1.619 1.573 1.00 1.00 O ATOM 354 CB TYR A 223 -2.542 2.918 4.218 1.00 1.00 C ATOM 355 CG TYR A 223 -2.279 3.127 5.691 1.00 1.00 C ATOM 356 CD1 TYR A 223 -3.224 3.744 6.501 1.00 1.00 C ATOM 357 CD2 TYR A 223 -1.094 2.698 6.275 1.00 1.00 C ATOM 358 CE1 TYR A 223 -2.996 3.924 7.851 1.00 1.00 C ATOM 359 CE2 TYR A 223 -0.859 2.877 7.623 1.00 1.00 C ATOM 360 CZ TYR A 223 -1.813 3.490 8.405 1.00 1.00 C ATOM 361 OH TYR A 223 -1.584 3.661 9.751 1.00 1.00 O ATOM 0 H TYR A 223 -1.837 0.387 3.779 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.317 1.788 4.584 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -1.592 2.783 3.700 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.006 3.814 3.806 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.152 4.088 6.068 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -0.345 2.217 5.664 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -3.742 4.403 8.469 1.00 1.00 H new ATOM 0 HE2 TYR A 223 0.068 2.538 8.062 1.00 1.00 H new ATOM 0 HH TYR A 223 -0.703 3.299 9.982 1.00 1.00 H new ATOM 371 N LEU A 224 -5.205 1.780 2.297 1.00 1.00 N ATOM 372 CA LEU A 224 -5.780 1.775 0.965 1.00 1.00 C ATOM 373 C LEU A 224 -6.912 2.787 0.868 1.00 1.00 C ATOM 374 O LEU A 224 -7.428 3.253 1.888 1.00 1.00 O ATOM 375 CB LEU A 224 -6.300 0.374 0.623 1.00 1.00 C ATOM 376 CG LEU A 224 -5.243 -0.732 0.639 1.00 1.00 C ATOM 377 CD1 LEU A 224 -5.885 -2.096 0.816 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.422 -0.693 -0.636 1.00 1.00 C ATOM 0 H LEU A 224 -5.890 1.840 3.050 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.004 2.052 0.252 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.087 0.113 1.330 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -6.757 0.404 -0.366 1.00 1.00 H new ATOM 0 HG LEU A 224 -4.581 -0.559 1.488 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.111 -2.864 0.824 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -6.431 -2.121 1.759 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -6.574 -2.283 -0.008 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -3.674 -1.485 -0.611 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -5.077 -0.839 -1.495 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -3.925 0.273 -0.719 1.00 1.00 H new ATOM 390 N CYS A 225 -7.290 3.113 -0.364 1.00 1.00 N ATOM 391 CA CYS A 225 -8.361 4.060 -0.630 1.00 1.00 C ATOM 392 C CYS A 225 -9.682 3.554 -0.062 1.00 1.00 C ATOM 393 O CYS A 225 -10.096 3.925 1.033 1.00 1.00 O ATOM 394 CB CYS A 225 -8.493 4.252 -2.144 1.00 1.00 C ATOM 395 SG CYS A 225 -8.498 2.686 -3.085 1.00 1.00 S ATOM 0 H CYS A 225 -6.861 2.727 -1.205 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.122 5.009 -0.151 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -9.415 4.794 -2.354 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.670 4.874 -2.496 1.00 1.00 H new ATOM 400 N ASN A 226 -10.329 2.703 -0.834 1.00 1.00 N ATOM 401 CA ASN A 226 -11.592 2.101 -0.449 1.00 1.00 C ATOM 402 C ASN A 226 -11.864 0.911 -1.347 1.00 1.00 C ATOM 403 O ASN A 226 -12.222 -0.166 -0.878 1.00 1.00 O ATOM 404 CB ASN A 226 -12.743 3.104 -0.546 1.00 1.00 C ATOM 405 CG ASN A 226 -13.817 2.838 0.492 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.739 2.054 0.271 1.00 1.00 O ATOM 407 ND2 ASN A 226 -13.704 3.493 1.637 1.00 1.00 N ATOM 0 H ASN A 226 -9.992 2.408 -1.750 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.523 1.779 0.590 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.355 4.114 -0.416 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -13.182 3.057 -1.543 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -14.396 3.356 2.374 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -12.925 4.135 1.783 1.00 1.00 H new ATOM 414 N ALA A 227 -11.655 1.107 -2.646 1.00 1.00 N ATOM 415 CA ALA A 227 -11.859 0.045 -3.623 1.00 1.00 C ATOM 416 C ALA A 227 -10.846 -1.064 -3.390 1.00 1.00 C ATOM 417 O ALA A 227 -11.203 -2.238 -3.277 1.00 1.00 O ATOM 418 CB ALA A 227 -11.740 0.592 -5.038 1.00 1.00 C ATOM 0 H ALA A 227 -11.344 1.993 -3.045 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.863 -0.362 -3.502 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -11.895 -0.215 -5.754 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -12.492 1.365 -5.194 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -10.747 1.018 -5.181 1.00 1.00 H new ATOM 424 N CYS A 228 -9.576 -0.680 -3.297 1.00 1.00 N ATOM 425 CA CYS A 228 -8.511 -1.632 -3.043 1.00 1.00 C ATOM 426 C CYS A 228 -8.646 -2.188 -1.627 1.00 1.00 C ATOM 427 O CYS A 228 -8.220 -3.307 -1.334 1.00 1.00 O ATOM 428 CB CYS A 228 -7.158 -0.948 -3.239 1.00 1.00 C ATOM 429 SG CYS A 228 -7.037 -0.008 -4.797 1.00 1.00 S ATOM 0 H CYS A 228 -9.264 0.286 -3.395 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.581 -2.463 -3.744 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.976 -0.274 -2.402 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.372 -1.703 -3.217 1.00 1.00 H new ATOM 434 N GLY A 229 -9.262 -1.390 -0.761 1.00 1.00 N ATOM 435 CA GLY A 229 -9.479 -1.797 0.610 1.00 1.00 C ATOM 436 C GLY A 229 -10.469 -2.938 0.686 1.00 1.00 C ATOM 437 O GLY A 229 -10.245 -3.919 1.400 1.00 1.00 O ATOM 0 H GLY A 229 -9.617 -0.461 -0.990 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.533 -2.101 1.057 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -9.848 -0.951 1.190 1.00 1.00 H new ATOM 441 N LEU A 230 -11.562 -2.807 -0.063 1.00 1.00 N ATOM 442 CA LEU A 230 -12.591 -3.838 -0.118 1.00 1.00 C ATOM 443 C LEU A 230 -11.996 -5.128 -0.661 1.00 1.00 C ATOM 444 O LEU A 230 -12.314 -6.222 -0.190 1.00 1.00 O ATOM 445 CB LEU A 230 -13.755 -3.389 -1.007 1.00 1.00 C ATOM 446 CG LEU A 230 -14.589 -2.232 -0.459 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.509 -1.687 -1.536 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.393 -2.680 0.747 1.00 1.00 C ATOM 0 H LEU A 230 -11.757 -1.991 -0.643 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.969 -4.009 0.890 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.357 -3.099 -1.979 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -14.413 -4.242 -1.174 1.00 1.00 H new ATOM 0 HG LEU A 230 -13.912 -1.437 -0.146 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.096 -0.863 -1.130 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -14.914 -1.329 -2.376 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.178 -2.477 -1.877 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.981 -1.843 1.124 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -16.061 -3.491 0.458 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.716 -3.028 1.527 1.00 1.00 H new ATOM 460 N TYR A 231 -11.121 -4.984 -1.652 1.00 1.00 N ATOM 461 CA TYR A 231 -10.462 -6.125 -2.262 1.00 1.00 C ATOM 462 C TYR A 231 -9.657 -6.892 -1.220 1.00 1.00 C ATOM 463 O TYR A 231 -9.834 -8.093 -1.058 1.00 1.00 O ATOM 464 CB TYR A 231 -9.544 -5.685 -3.407 1.00 1.00 C ATOM 465 CG TYR A 231 -8.795 -6.835 -4.037 1.00 1.00 C ATOM 466 CD1 TYR A 231 -9.354 -7.561 -5.078 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.537 -7.206 -3.579 1.00 1.00 C ATOM 468 CE1 TYR A 231 -8.680 -8.623 -5.644 1.00 1.00 C ATOM 469 CE2 TYR A 231 -6.858 -8.266 -4.141 1.00 1.00 C ATOM 470 CZ TYR A 231 -7.434 -8.972 -5.173 1.00 1.00 C ATOM 471 OH TYR A 231 -6.761 -10.033 -5.738 1.00 1.00 O ATOM 0 H TYR A 231 -10.854 -4.083 -2.048 1.00 1.00 H new ATOM 0 HA TYR A 231 -11.234 -6.778 -2.670 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -10.139 -5.184 -4.171 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -8.828 -4.954 -3.031 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -10.331 -7.291 -5.451 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.083 -6.655 -2.769 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -9.128 -9.179 -6.454 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -5.880 -8.541 -3.774 1.00 1.00 H new ATOM 0 HH TYR A 231 -5.896 -10.147 -5.292 1.00 1.00 H new ATOM 481 N HIS A 232 -8.779 -6.186 -0.514 1.00 1.00 N ATOM 482 CA HIS A 232 -7.943 -6.804 0.514 1.00 1.00 C ATOM 483 C HIS A 232 -8.804 -7.465 1.587 1.00 1.00 C ATOM 484 O HIS A 232 -8.505 -8.568 2.041 1.00 1.00 O ATOM 485 CB HIS A 232 -7.008 -5.758 1.150 1.00 1.00 C ATOM 486 CG HIS A 232 -6.274 -6.240 2.375 1.00 1.00 C ATOM 487 ND1 HIS A 232 -4.980 -6.713 2.351 1.00 1.00 N ATOM 488 CD2 HIS A 232 -6.666 -6.309 3.670 1.00 1.00 C ATOM 489 CE1 HIS A 232 -4.613 -7.051 3.572 1.00 1.00 C ATOM 490 NE2 HIS A 232 -5.615 -6.813 4.393 1.00 1.00 N ATOM 0 H HIS A 232 -8.627 -5.185 -0.634 1.00 1.00 H new ATOM 0 HA HIS A 232 -7.334 -7.573 0.039 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -6.278 -5.441 0.405 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -7.594 -4.878 1.416 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -7.630 -6.020 4.062 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.651 -7.455 3.852 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -5.610 -6.976 5.400 1.00 1.00 H new ATOM 499 N LYS A 233 -9.872 -6.784 1.975 1.00 1.00 N ATOM 500 CA LYS A 233 -10.780 -7.282 3.002 1.00 1.00 C ATOM 501 C LYS A 233 -11.402 -8.621 2.601 1.00 1.00 C ATOM 502 O LYS A 233 -11.538 -9.525 3.426 1.00 1.00 O ATOM 503 CB LYS A 233 -11.877 -6.245 3.261 1.00 1.00 C ATOM 504 CG LYS A 233 -12.588 -6.410 4.595 1.00 1.00 C ATOM 505 CD LYS A 233 -13.876 -7.210 4.458 1.00 1.00 C ATOM 506 CE LYS A 233 -14.707 -7.144 5.729 1.00 1.00 C ATOM 507 NZ LYS A 233 -15.963 -7.931 5.618 1.00 1.00 N ATOM 0 H LYS A 233 -10.134 -5.876 1.591 1.00 1.00 H new ATOM 0 HA LYS A 233 -10.207 -7.446 3.915 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -11.437 -5.249 3.217 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -12.614 -6.304 2.460 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -11.924 -6.909 5.301 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -12.813 -5.428 5.010 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -14.458 -6.825 3.621 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -13.638 -8.249 4.230 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -14.118 -7.518 6.566 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -14.949 -6.104 5.949 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -16.498 -7.858 6.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -16.538 -7.558 4.836 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -15.733 -8.928 5.434 1.00 1.00 H new ATOM 521 N MET A 234 -11.768 -8.746 1.335 1.00 1.00 N ATOM 522 CA MET A 234 -12.386 -9.972 0.840 1.00 1.00 C ATOM 523 C MET A 234 -11.335 -11.014 0.453 1.00 1.00 C ATOM 524 O MET A 234 -11.534 -12.214 0.653 1.00 1.00 O ATOM 525 CB MET A 234 -13.277 -9.663 -0.365 1.00 1.00 C ATOM 526 CG MET A 234 -14.428 -10.640 -0.532 1.00 1.00 C ATOM 527 SD MET A 234 -15.705 -10.426 0.726 1.00 1.00 S ATOM 528 CE MET A 234 -16.735 -11.855 0.401 1.00 1.00 C ATOM 0 H MET A 234 -11.649 -8.017 0.631 1.00 1.00 H new ATOM 0 HA MET A 234 -12.993 -10.386 1.645 1.00 1.00 H new ATOM 0 HB2 MET A 234 -13.678 -8.655 -0.261 1.00 1.00 H new ATOM 0 HB3 MET A 234 -12.668 -9.672 -1.269 1.00 1.00 H new ATOM 0 HG2 MET A 234 -14.870 -10.510 -1.520 1.00 1.00 H new ATOM 0 HG3 MET A 234 -14.045 -11.659 -0.486 1.00 1.00 H new ATOM 0 HE1 MET A 234 -17.572 -11.866 1.099 1.00 1.00 H new ATOM 0 HE2 MET A 234 -17.114 -11.806 -0.620 1.00 1.00 H new ATOM 0 HE3 MET A 234 -16.146 -12.764 0.526 1.00 1.00 H new ATOM 538 N ASN A 235 -10.220 -10.550 -0.095 1.00 1.00 N ATOM 539 CA ASN A 235 -9.140 -11.435 -0.530 1.00 1.00 C ATOM 540 C ASN A 235 -8.446 -12.096 0.656 1.00 1.00 C ATOM 541 O ASN A 235 -8.111 -13.279 0.606 1.00 1.00 O ATOM 542 CB ASN A 235 -8.115 -10.651 -1.358 1.00 1.00 C ATOM 543 CG ASN A 235 -7.102 -11.545 -2.053 1.00 1.00 C ATOM 544 OD1 ASN A 235 -7.391 -12.691 -2.400 1.00 1.00 O ATOM 545 ND2 ASN A 235 -5.902 -11.023 -2.264 1.00 1.00 N ATOM 0 H ASN A 235 -10.036 -9.559 -0.251 1.00 1.00 H new ATOM 0 HA ASN A 235 -9.582 -12.219 -1.144 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -8.639 -10.056 -2.106 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -7.589 -9.953 -0.707 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -5.180 -11.574 -2.728 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -5.700 -10.070 -1.962 1.00 1.00 H new ATOM 552 N GLY A 236 -8.223 -11.328 1.713 1.00 1.00 N ATOM 553 CA GLY A 236 -7.560 -11.857 2.891 1.00 1.00 C ATOM 554 C GLY A 236 -6.061 -11.643 2.841 1.00 1.00 C ATOM 555 O GLY A 236 -5.448 -11.249 3.834 1.00 1.00 O ATOM 0 H GLY A 236 -8.490 -10.346 1.777 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -7.965 -11.377 3.782 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -7.772 -12.923 2.979 1.00 1.00 H new ATOM 559 N GLN A 237 -5.473 -11.904 1.676 1.00 1.00 N ATOM 560 CA GLN A 237 -4.038 -11.736 1.482 1.00 1.00 C ATOM 561 C GLN A 237 -3.648 -10.268 1.600 1.00 1.00 C ATOM 562 O GLN A 237 -4.487 -9.382 1.426 1.00 1.00 O ATOM 563 CB GLN A 237 -3.609 -12.282 0.117 1.00 1.00 C ATOM 564 CG GLN A 237 -3.714 -13.794 0.006 1.00 1.00 C ATOM 565 CD GLN A 237 -3.216 -14.319 -1.325 1.00 1.00 C ATOM 566 OE1 GLN A 237 -3.985 -14.469 -2.274 1.00 1.00 O ATOM 567 NE2 GLN A 237 -1.926 -14.593 -1.409 1.00 1.00 N ATOM 0 H GLN A 237 -5.972 -12.234 0.850 1.00 1.00 H new ATOM 0 HA GLN A 237 -3.525 -12.299 2.261 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -4.225 -11.826 -0.658 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -2.579 -11.982 -0.077 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -3.140 -14.254 0.811 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -4.753 -14.093 0.144 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -1.322 -14.455 -0.599 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -1.535 -14.942 -2.284 1.00 1.00 H new ATOM 576 N ASN A 238 -2.376 -10.024 1.892 1.00 1.00 N ATOM 577 CA ASN A 238 -1.861 -8.666 2.054 1.00 1.00 C ATOM 578 C ASN A 238 -2.075 -7.837 0.791 1.00 1.00 C ATOM 579 O ASN A 238 -1.475 -8.176 -0.246 1.00 1.00 O ATOM 580 CB ASN A 238 -0.369 -8.691 2.414 1.00 1.00 C ATOM 581 CG ASN A 238 -0.117 -9.133 3.845 1.00 1.00 C ATOM 582 OD1 ASN A 238 -0.827 -9.987 4.378 1.00 1.00 O ATOM 583 ND2 ASN A 238 0.889 -8.551 4.482 1.00 1.00 N ATOM 0 H ASN A 238 -1.676 -10.754 2.023 1.00 1.00 H new ATOM 0 HA ASN A 238 -2.416 -8.201 2.869 1.00 1.00 H new ATOM 0 HB2 ASN A 238 0.153 -9.363 1.733 1.00 1.00 H new ATOM 0 HB3 ASN A 238 0.053 -7.697 2.266 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.097 -8.806 5.447 1.00 1.00 H new ATOM 0 HD22 ASN A 238 1.455 -7.848 4.007 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 24.697 -3.037 9.923 1.00 1.00 N ATOM 592 CA GLY B 1 23.877 -2.136 9.080 1.00 1.00 C ATOM 593 C GLY B 1 24.209 -2.284 7.612 1.00 1.00 C ATOM 594 O GLY B 1 24.735 -3.321 7.204 1.00 1.00 O ATOM 0 H1 GLY B 1 24.078 -3.564 10.572 1.00 1.00 H new ATOM 0 H2 GLY B 1 25.213 -3.706 9.316 1.00 1.00 H new ATOM 0 H3 GLY B 1 25.377 -2.474 10.474 1.00 1.00 H new ATOM 0 HA2 GLY B 1 22.820 -2.353 9.237 1.00 1.00 H new ATOM 0 HA3 GLY B 1 24.040 -1.103 9.387 1.00 1.00 H new ATOM 600 N SER B 2 23.901 -1.245 6.830 1.00 1.00 N ATOM 601 CA SER B 2 24.151 -1.222 5.383 1.00 1.00 C ATOM 602 C SER B 2 23.191 -2.154 4.642 1.00 1.00 C ATOM 603 O SER B 2 22.400 -1.709 3.811 1.00 1.00 O ATOM 604 CB SER B 2 25.608 -1.590 5.066 1.00 1.00 C ATOM 605 OG SER B 2 26.509 -0.771 5.790 1.00 1.00 O ATOM 0 H SER B 2 23.469 -0.391 7.183 1.00 1.00 H new ATOM 0 HA SER B 2 23.973 -0.204 5.036 1.00 1.00 H new ATOM 0 HB2 SER B 2 25.784 -2.637 5.313 1.00 1.00 H new ATOM 0 HB3 SER B 2 25.790 -1.480 3.997 1.00 1.00 H new ATOM 0 HG SER B 2 27.430 -1.026 5.572 1.00 1.00 H new ATOM 611 N LEU B 3 23.257 -3.437 4.959 1.00 1.00 N ATOM 612 CA LEU B 3 22.404 -4.430 4.334 1.00 1.00 C ATOM 613 C LEU B 3 21.462 -5.030 5.369 1.00 1.00 C ATOM 614 O LEU B 3 21.606 -4.768 6.564 1.00 1.00 O ATOM 615 CB LEU B 3 23.245 -5.536 3.681 1.00 1.00 C ATOM 616 CG LEU B 3 24.104 -6.372 4.638 1.00 1.00 C ATOM 617 CD1 LEU B 3 24.225 -7.802 4.133 1.00 1.00 C ATOM 618 CD2 LEU B 3 25.484 -5.748 4.799 1.00 1.00 C ATOM 0 H LEU B 3 23.901 -3.816 5.654 1.00 1.00 H new ATOM 0 HA LEU B 3 21.817 -3.942 3.556 1.00 1.00 H new ATOM 0 HB2 LEU B 3 22.575 -6.207 3.144 1.00 1.00 H new ATOM 0 HB3 LEU B 3 23.900 -5.079 2.940 1.00 1.00 H new ATOM 0 HG LEU B 3 23.616 -6.389 5.613 1.00 1.00 H new ATOM 0 HD11 LEU B 3 24.838 -8.381 4.824 1.00 1.00 H new ATOM 0 HD12 LEU B 3 23.233 -8.249 4.065 1.00 1.00 H new ATOM 0 HD13 LEU B 3 24.691 -7.802 3.148 1.00 1.00 H new ATOM 0 HD21 LEU B 3 26.080 -6.354 5.481 1.00 1.00 H new ATOM 0 HD22 LEU B 3 25.978 -5.702 3.828 1.00 1.00 H new ATOM 0 HD23 LEU B 3 25.383 -4.741 5.203 1.00 1.00 H new ATOM 630 N LEU B 4 20.495 -5.815 4.893 1.00 1.00 N ATOM 631 CA LEU B 4 19.507 -6.475 5.750 1.00 1.00 C ATOM 632 C LEU B 4 18.549 -5.465 6.371 1.00 1.00 C ATOM 633 O LEU B 4 17.817 -5.782 7.309 1.00 1.00 O ATOM 634 CB LEU B 4 20.185 -7.309 6.846 1.00 1.00 C ATOM 635 CG LEU B 4 20.028 -8.823 6.701 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.556 -9.201 6.641 1.00 1.00 C ATOM 637 CD2 LEU B 4 20.760 -9.323 5.464 1.00 1.00 C ATOM 0 H LEU B 4 20.374 -6.012 3.900 1.00 1.00 H new ATOM 0 HA LEU B 4 18.931 -7.149 5.116 1.00 1.00 H new ATOM 0 HB2 LEU B 4 21.248 -7.069 6.858 1.00 1.00 H new ATOM 0 HB3 LEU B 4 19.780 -7.008 7.812 1.00 1.00 H new ATOM 0 HG LEU B 4 20.471 -9.300 7.575 1.00 1.00 H new ATOM 0 HD11 LEU B 4 18.462 -10.282 6.538 1.00 1.00 H new ATOM 0 HD12 LEU B 4 18.060 -8.879 7.557 1.00 1.00 H new ATOM 0 HD13 LEU B 4 18.090 -8.713 5.785 1.00 1.00 H new ATOM 0 HD21 LEU B 4 20.636 -10.403 5.379 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.349 -8.840 4.578 1.00 1.00 H new ATOM 0 HD23 LEU B 4 21.820 -9.085 5.548 1.00 1.00 H new ATOM 649 N LYS B 5 18.551 -4.253 5.838 1.00 1.00 N ATOM 650 CA LYS B 5 17.674 -3.204 6.327 1.00 1.00 C ATOM 651 C LYS B 5 17.154 -2.367 5.167 1.00 1.00 C ATOM 652 O LYS B 5 17.857 -1.496 4.652 1.00 1.00 O ATOM 653 CB LYS B 5 18.395 -2.314 7.344 1.00 1.00 C ATOM 654 CG LYS B 5 17.913 -2.516 8.773 1.00 1.00 C ATOM 655 CD LYS B 5 16.421 -2.258 8.897 1.00 1.00 C ATOM 656 CE LYS B 5 15.872 -2.787 10.210 1.00 1.00 C ATOM 657 NZ LYS B 5 14.389 -2.704 10.264 1.00 1.00 N ATOM 0 H LYS B 5 19.153 -3.972 5.064 1.00 1.00 H new ATOM 0 HA LYS B 5 16.829 -3.675 6.829 1.00 1.00 H new ATOM 0 HB2 LYS B 5 19.465 -2.515 7.298 1.00 1.00 H new ATOM 0 HB3 LYS B 5 18.255 -1.270 7.065 1.00 1.00 H new ATOM 0 HG2 LYS B 5 18.135 -3.534 9.093 1.00 1.00 H new ATOM 0 HG3 LYS B 5 18.456 -1.846 9.440 1.00 1.00 H new ATOM 0 HD2 LYS B 5 16.229 -1.187 8.826 1.00 1.00 H new ATOM 0 HD3 LYS B 5 15.898 -2.732 8.066 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.183 -3.823 10.342 1.00 1.00 H new ATOM 0 HE3 LYS B 5 16.298 -2.219 11.037 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 14.054 -3.075 11.176 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 14.093 -1.712 10.163 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 13.981 -3.267 9.490 1.00 1.00 H new ATOM 671 N PRO B 6 15.917 -2.637 4.730 1.00 1.00 N ATOM 672 CA PRO B 6 15.292 -1.907 3.627 1.00 1.00 C ATOM 673 C PRO B 6 14.812 -0.522 4.054 1.00 1.00 C ATOM 674 O PRO B 6 13.610 -0.256 4.117 1.00 1.00 O ATOM 675 CB PRO B 6 14.109 -2.799 3.249 1.00 1.00 C ATOM 676 CG PRO B 6 13.745 -3.498 4.513 1.00 1.00 C ATOM 677 CD PRO B 6 15.028 -3.679 5.279 1.00 1.00 C ATOM 0 HA PRO B 6 15.983 -1.724 2.804 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.275 -2.210 2.868 1.00 1.00 H new ATOM 0 HB3 PRO B 6 14.382 -3.509 2.468 1.00 1.00 H new ATOM 0 HG2 PRO B 6 13.028 -2.913 5.088 1.00 1.00 H new ATOM 0 HG3 PRO B 6 13.277 -4.460 4.305 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.875 -3.550 6.351 1.00 1.00 H new ATOM 0 HD3 PRO B 6 15.443 -4.676 5.134 1.00 1.00 H new ATOM 685 N ALA B 7 15.761 0.358 4.349 1.00 1.00 N ATOM 686 CA ALA B 7 15.448 1.717 4.772 1.00 1.00 C ATOM 687 C ALA B 7 15.061 2.590 3.582 1.00 1.00 C ATOM 688 O ALA B 7 15.709 3.597 3.288 1.00 1.00 O ATOM 689 CB ALA B 7 16.627 2.322 5.520 1.00 1.00 C ATOM 0 H ALA B 7 16.759 0.153 4.303 1.00 1.00 H new ATOM 0 HA ALA B 7 14.592 1.674 5.445 1.00 1.00 H new ATOM 0 HB1 ALA B 7 16.379 3.337 5.830 1.00 1.00 H new ATOM 0 HB2 ALA B 7 16.848 1.718 6.400 1.00 1.00 H new ATOM 0 HB3 ALA B 7 17.499 2.345 4.867 1.00 1.00 H new ATOM 695 N ARG B 8 14.006 2.189 2.887 1.00 1.00 N ATOM 696 CA ARG B 8 13.523 2.926 1.733 1.00 1.00 C ATOM 697 C ARG B 8 12.007 3.011 1.750 1.00 1.00 C ATOM 698 O ARG B 8 11.321 2.010 1.932 1.00 1.00 O ATOM 699 CB ARG B 8 14.001 2.276 0.432 1.00 1.00 C ATOM 700 CG ARG B 8 15.413 2.680 0.040 1.00 1.00 C ATOM 701 CD ARG B 8 15.587 4.188 0.093 1.00 1.00 C ATOM 702 NE ARG B 8 16.926 4.604 -0.317 1.00 1.00 N ATOM 703 CZ ARG B 8 17.892 4.968 0.524 1.00 1.00 C ATOM 704 NH1 ARG B 8 17.699 4.919 1.837 1.00 1.00 N ATOM 705 NH2 ARG B 8 19.063 5.364 0.045 1.00 1.00 N ATOM 0 H ARG B 8 13.467 1.351 3.106 1.00 1.00 H new ATOM 0 HA ARG B 8 13.930 3.936 1.784 1.00 1.00 H new ATOM 0 HB2 ARG B 8 13.957 1.192 0.538 1.00 1.00 H new ATOM 0 HB3 ARG B 8 13.317 2.545 -0.373 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.129 2.205 0.710 1.00 1.00 H new ATOM 0 HG3 ARG B 8 15.631 2.321 -0.966 1.00 1.00 H new ATOM 0 HD2 ARG B 8 14.848 4.660 -0.554 1.00 1.00 H new ATOM 0 HD3 ARG B 8 15.394 4.539 1.107 1.00 1.00 H new ATOM 0 HE ARG B 8 17.135 4.616 -1.315 1.00 1.00 H new ATOM 0 HH11 ARG B 8 16.804 4.600 2.209 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.445 5.200 2.473 1.00 1.00 H new ATOM 0 HH21 ARG B 8 19.220 5.389 -0.963 1.00 1.00 H new ATOM 0 HH22 ARG B 8 19.807 5.644 0.684 1.00 1.00 H new ATOM 719 N PHE B 9 11.494 4.216 1.567 1.00 1.00 N ATOM 720 CA PHE B 9 10.055 4.451 1.562 1.00 1.00 C ATOM 721 C PHE B 9 9.644 5.198 0.299 1.00 1.00 C ATOM 722 O PHE B 9 8.651 5.919 0.286 1.00 1.00 O ATOM 723 CB PHE B 9 9.649 5.251 2.806 1.00 1.00 C ATOM 724 CG PHE B 9 10.570 6.404 3.109 1.00 1.00 C ATOM 725 CD1 PHE B 9 10.392 7.634 2.492 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.616 6.255 4.005 1.00 1.00 C ATOM 727 CE1 PHE B 9 11.240 8.690 2.763 1.00 1.00 C ATOM 728 CE2 PHE B 9 12.467 7.307 4.279 1.00 1.00 C ATOM 729 CZ PHE B 9 12.277 8.527 3.657 1.00 1.00 C ATOM 0 H PHE B 9 12.056 5.054 1.419 1.00 1.00 H new ATOM 0 HA PHE B 9 9.543 3.489 1.578 1.00 1.00 H new ATOM 0 HB2 PHE B 9 8.637 5.632 2.668 1.00 1.00 H new ATOM 0 HB3 PHE B 9 9.624 4.582 3.666 1.00 1.00 H new ATOM 0 HD1 PHE B 9 9.581 7.767 1.792 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.768 5.305 4.495 1.00 1.00 H new ATOM 0 HE1 PHE B 9 11.091 9.642 2.275 1.00 1.00 H new ATOM 0 HE2 PHE B 9 13.280 7.177 4.978 1.00 1.00 H new ATOM 0 HZ PHE B 9 12.940 9.352 3.871 1.00 1.00 H new ATOM 739 N MET B 10 10.421 5.021 -0.758 1.00 1.00 N ATOM 740 CA MET B 10 10.152 5.681 -2.026 1.00 1.00 C ATOM 741 C MET B 10 10.392 4.711 -3.170 1.00 1.00 C ATOM 742 O MET B 10 11.430 4.049 -3.219 1.00 1.00 O ATOM 743 CB MET B 10 11.044 6.916 -2.180 1.00 1.00 C ATOM 744 CG MET B 10 10.737 7.744 -3.418 1.00 1.00 C ATOM 745 SD MET B 10 11.776 9.213 -3.548 1.00 1.00 S ATOM 746 CE MET B 10 11.103 9.978 -5.021 1.00 1.00 C ATOM 0 H MET B 10 11.247 4.423 -0.762 1.00 1.00 H new ATOM 0 HA MET B 10 9.111 6.003 -2.046 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.933 7.545 -1.297 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.086 6.598 -2.216 1.00 1.00 H new ATOM 0 HG2 MET B 10 10.874 7.127 -4.306 1.00 1.00 H new ATOM 0 HG3 MET B 10 9.690 8.045 -3.398 1.00 1.00 H new ATOM 0 HE1 MET B 10 11.644 10.900 -5.232 1.00 1.00 H new ATOM 0 HE2 MET B 10 11.206 9.296 -5.865 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.048 10.204 -4.864 1.00 1.00 H new ATOM 756 N CYS B 11 9.425 4.617 -4.071 1.00 1.00 N ATOM 757 CA CYS B 11 9.535 3.722 -5.207 1.00 1.00 C ATOM 758 C CYS B 11 10.450 4.314 -6.270 1.00 1.00 C ATOM 759 O CYS B 11 10.464 5.528 -6.496 1.00 1.00 O ATOM 760 CB CYS B 11 8.156 3.435 -5.809 1.00 1.00 C ATOM 761 SG CYS B 11 8.186 2.270 -7.213 1.00 1.00 S ATOM 0 H CYS B 11 8.557 5.151 -4.035 1.00 1.00 H new ATOM 0 HA CYS B 11 9.965 2.784 -4.854 1.00 1.00 H new ATOM 0 HB2 CYS B 11 7.508 3.033 -5.030 1.00 1.00 H new ATOM 0 HB3 CYS B 11 7.713 4.374 -6.139 1.00 1.00 H new ATOM 766 N LEU B 12 11.209 3.446 -6.911 1.00 1.00 N ATOM 767 CA LEU B 12 12.119 3.851 -7.968 1.00 1.00 C ATOM 768 C LEU B 12 11.561 3.450 -9.337 1.00 1.00 C ATOM 769 O LEU B 12 11.469 4.298 -10.226 1.00 1.00 O ATOM 770 CB LEU B 12 13.515 3.258 -7.751 1.00 1.00 C ATOM 771 CG LEU B 12 14.229 3.723 -6.480 1.00 1.00 C ATOM 772 CD1 LEU B 12 15.576 3.032 -6.345 1.00 1.00 C ATOM 773 CD2 LEU B 12 14.404 5.235 -6.487 1.00 1.00 C ATOM 0 H LEU B 12 11.213 2.445 -6.716 1.00 1.00 H new ATOM 0 HA LEU B 12 12.212 4.937 -7.940 1.00 1.00 H new ATOM 0 HB2 LEU B 12 13.431 2.172 -7.725 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.137 3.509 -8.610 1.00 1.00 H new ATOM 0 HG LEU B 12 13.614 3.453 -5.621 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.071 3.374 -5.436 1.00 1.00 H new ATOM 0 HD12 LEU B 12 15.428 1.953 -6.294 1.00 1.00 H new ATOM 0 HD13 LEU B 12 16.197 3.273 -7.208 1.00 1.00 H new ATOM 0 HD21 LEU B 12 14.914 5.547 -5.575 1.00 1.00 H new ATOM 0 HD22 LEU B 12 14.998 5.529 -7.353 1.00 1.00 H new ATOM 0 HD23 LEU B 12 13.426 5.714 -6.538 1.00 1.00 H new ATOM 785 N PRO B 13 11.178 2.161 -9.540 1.00 1.00 N ATOM 786 CA PRO B 13 10.615 1.705 -10.819 1.00 1.00 C ATOM 787 C PRO B 13 9.350 2.471 -11.192 1.00 1.00 C ATOM 788 O PRO B 13 9.227 2.989 -12.304 1.00 1.00 O ATOM 789 CB PRO B 13 10.285 0.230 -10.574 1.00 1.00 C ATOM 790 CG PRO B 13 11.148 -0.170 -9.431 1.00 1.00 C ATOM 791 CD PRO B 13 11.271 1.051 -8.569 1.00 1.00 C ATOM 0 HA PRO B 13 11.310 1.863 -11.644 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.229 0.095 -10.338 1.00 1.00 H new ATOM 0 HB3 PRO B 13 10.494 -0.374 -11.457 1.00 1.00 H new ATOM 0 HG2 PRO B 13 10.705 -0.998 -8.877 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.126 -0.505 -9.777 1.00 1.00 H new ATOM 0 HD2 PRO B 13 10.476 1.100 -7.824 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.217 1.068 -8.027 1.00 1.00 H new ATOM 799 N CYS B 14 8.411 2.546 -10.260 1.00 1.00 N ATOM 800 CA CYS B 14 7.168 3.254 -10.492 1.00 1.00 C ATOM 801 C CYS B 14 7.351 4.734 -10.191 1.00 1.00 C ATOM 802 O CYS B 14 7.099 5.596 -11.036 1.00 1.00 O ATOM 803 CB CYS B 14 6.063 2.675 -9.610 1.00 1.00 C ATOM 804 SG CYS B 14 6.082 0.858 -9.489 1.00 1.00 S ATOM 0 H CYS B 14 8.490 2.123 -9.335 1.00 1.00 H new ATOM 0 HA CYS B 14 6.883 3.136 -11.538 1.00 1.00 H new ATOM 0 HB2 CYS B 14 6.154 3.096 -8.609 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.097 2.992 -10.002 1.00 1.00 H new ATOM 809 N GLY B 15 7.807 5.016 -8.980 1.00 1.00 N ATOM 810 CA GLY B 15 8.018 6.387 -8.568 1.00 1.00 C ATOM 811 C GLY B 15 6.756 7.005 -8.009 1.00 1.00 C ATOM 812 O GLY B 15 6.634 8.227 -7.929 1.00 1.00 O ATOM 0 H GLY B 15 8.035 4.317 -8.273 1.00 1.00 H new ATOM 0 HA2 GLY B 15 8.805 6.423 -7.815 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.364 6.973 -9.419 1.00 1.00 H new ATOM 816 N ILE B 16 5.812 6.153 -7.627 1.00 1.00 N ATOM 817 CA ILE B 16 4.548 6.611 -7.067 1.00 1.00 C ATOM 818 C ILE B 16 4.772 7.145 -5.652 1.00 1.00 C ATOM 819 O ILE B 16 5.510 6.546 -4.867 1.00 1.00 O ATOM 820 CB ILE B 16 3.481 5.477 -7.073 1.00 1.00 C ATOM 821 CG1 ILE B 16 2.665 5.515 -8.369 1.00 1.00 C ATOM 822 CG2 ILE B 16 2.549 5.569 -5.872 1.00 1.00 C ATOM 823 CD1 ILE B 16 3.431 5.056 -9.590 1.00 1.00 C ATOM 0 H ILE B 16 5.899 5.139 -7.695 1.00 1.00 H new ATOM 0 HA ILE B 16 4.165 7.418 -7.692 1.00 1.00 H new ATOM 0 HB ILE B 16 4.016 4.529 -7.011 1.00 1.00 H new ATOM 0 HG12 ILE B 16 1.782 4.887 -8.249 1.00 1.00 H new ATOM 0 HG13 ILE B 16 2.312 6.533 -8.535 1.00 1.00 H new ATOM 0 HG21 ILE B 16 1.820 4.760 -5.914 1.00 1.00 H new ATOM 0 HG22 ILE B 16 3.130 5.486 -4.953 1.00 1.00 H new ATOM 0 HG23 ILE B 16 2.029 6.527 -5.887 1.00 1.00 H new ATOM 0 HD11 ILE B 16 2.786 5.112 -10.467 1.00 1.00 H new ATOM 0 HD12 ILE B 16 4.299 5.698 -9.737 1.00 1.00 H new ATOM 0 HD13 ILE B 16 3.761 4.027 -9.447 1.00 1.00 H new ATOM 835 N ALA B 17 4.159 8.285 -5.353 1.00 1.00 N ATOM 836 CA ALA B 17 4.291 8.915 -4.046 1.00 1.00 C ATOM 837 C ALA B 17 3.638 8.076 -2.952 1.00 1.00 C ATOM 838 O ALA B 17 2.423 8.113 -2.759 1.00 1.00 O ATOM 839 CB ALA B 17 3.692 10.311 -4.074 1.00 1.00 C ATOM 0 H ALA B 17 3.562 8.794 -6.004 1.00 1.00 H new ATOM 0 HA ALA B 17 5.354 8.989 -3.815 1.00 1.00 H new ATOM 0 HB1 ALA B 17 3.797 10.772 -3.092 1.00 1.00 H new ATOM 0 HB2 ALA B 17 4.213 10.916 -4.816 1.00 1.00 H new ATOM 0 HB3 ALA B 17 2.635 10.248 -4.335 1.00 1.00 H new ATOM 845 N PHE B 18 4.464 7.319 -2.248 1.00 1.00 N ATOM 846 CA PHE B 18 4.011 6.465 -1.165 1.00 1.00 C ATOM 847 C PHE B 18 4.881 6.726 0.058 1.00 1.00 C ATOM 848 O PHE B 18 6.017 7.177 -0.081 1.00 1.00 O ATOM 849 CB PHE B 18 4.099 4.995 -1.588 1.00 1.00 C ATOM 850 CG PHE B 18 3.144 4.091 -0.860 1.00 1.00 C ATOM 851 CD1 PHE B 18 1.782 4.335 -0.890 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.608 2.999 -0.148 1.00 1.00 C ATOM 853 CE1 PHE B 18 0.900 3.509 -0.222 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.730 2.170 0.522 1.00 1.00 C ATOM 855 CZ PHE B 18 1.375 2.426 0.485 1.00 1.00 C ATOM 0 H PHE B 18 5.470 7.280 -2.413 1.00 1.00 H new ATOM 0 HA PHE B 18 2.971 6.686 -0.923 1.00 1.00 H new ATOM 0 HB2 PHE B 18 3.906 4.923 -2.658 1.00 1.00 H new ATOM 0 HB3 PHE B 18 5.116 4.640 -1.423 1.00 1.00 H new ATOM 0 HD1 PHE B 18 1.404 5.182 -1.443 1.00 1.00 H new ATOM 0 HD2 PHE B 18 4.668 2.793 -0.116 1.00 1.00 H new ATOM 0 HE1 PHE B 18 -0.160 3.711 -0.254 1.00 1.00 H new ATOM 0 HE2 PHE B 18 3.104 1.321 1.075 1.00 1.00 H new ATOM 0 HZ PHE B 18 0.688 1.779 1.009 1.00 1.00 H new ATOM 865 N SER B 19 4.351 6.488 1.248 1.00 1.00 N ATOM 866 CA SER B 19 5.114 6.715 2.471 1.00 1.00 C ATOM 867 C SER B 19 4.824 5.651 3.530 1.00 1.00 C ATOM 868 O SER B 19 5.638 5.429 4.425 1.00 1.00 O ATOM 869 CB SER B 19 4.808 8.108 3.023 1.00 1.00 C ATOM 870 OG SER B 19 5.098 9.105 2.056 1.00 1.00 O ATOM 0 H SER B 19 3.403 6.140 1.395 1.00 1.00 H new ATOM 0 HA SER B 19 6.173 6.646 2.221 1.00 1.00 H new ATOM 0 HB2 SER B 19 3.758 8.168 3.311 1.00 1.00 H new ATOM 0 HB3 SER B 19 5.396 8.285 3.923 1.00 1.00 H new ATOM 0 HG SER B 19 4.894 9.989 2.427 1.00 1.00 H new ATOM 876 N SER B 20 3.664 5.009 3.436 1.00 1.00 N ATOM 877 CA SER B 20 3.280 3.969 4.387 1.00 1.00 C ATOM 878 C SER B 20 4.127 2.705 4.193 1.00 1.00 C ATOM 879 O SER B 20 3.961 1.979 3.217 1.00 1.00 O ATOM 880 CB SER B 20 1.795 3.646 4.222 1.00 1.00 C ATOM 881 OG SER B 20 1.014 4.833 4.258 1.00 1.00 O ATOM 0 H SER B 20 2.971 5.190 2.710 1.00 1.00 H new ATOM 0 HA SER B 20 3.458 4.338 5.397 1.00 1.00 H new ATOM 0 HB2 SER B 20 1.634 3.128 3.277 1.00 1.00 H new ATOM 0 HB3 SER B 20 1.475 2.970 5.015 1.00 1.00 H new ATOM 0 HG SER B 20 1.147 5.338 3.429 1.00 1.00 H new ATOM 887 N PRO B 21 5.028 2.404 5.142 1.00 1.00 N ATOM 888 CA PRO B 21 5.911 1.240 5.047 1.00 1.00 C ATOM 889 C PRO B 21 5.204 -0.076 5.363 1.00 1.00 C ATOM 890 O PRO B 21 5.729 -1.154 5.092 1.00 1.00 O ATOM 891 CB PRO B 21 6.987 1.538 6.091 1.00 1.00 C ATOM 892 CG PRO B 21 6.300 2.373 7.116 1.00 1.00 C ATOM 893 CD PRO B 21 5.254 3.171 6.383 1.00 1.00 C ATOM 0 HA PRO B 21 6.295 1.104 4.036 1.00 1.00 H new ATOM 0 HB2 PRO B 21 7.380 0.620 6.527 1.00 1.00 H new ATOM 0 HB3 PRO B 21 7.831 2.068 5.649 1.00 1.00 H new ATOM 0 HG2 PRO B 21 5.844 1.748 7.884 1.00 1.00 H new ATOM 0 HG3 PRO B 21 7.008 3.031 7.619 1.00 1.00 H new ATOM 0 HD2 PRO B 21 4.339 3.263 6.968 1.00 1.00 H new ATOM 0 HD3 PRO B 21 5.600 4.183 6.170 1.00 1.00 H new ATOM 901 N SER B 22 4.003 0.016 5.916 1.00 1.00 N ATOM 902 CA SER B 22 3.240 -1.168 6.276 1.00 1.00 C ATOM 903 C SER B 22 2.411 -1.684 5.100 1.00 1.00 C ATOM 904 O SER B 22 1.652 -2.641 5.238 1.00 1.00 O ATOM 905 CB SER B 22 2.335 -0.843 7.460 1.00 1.00 C ATOM 906 OG SER B 22 1.705 0.416 7.280 1.00 1.00 O ATOM 0 H SER B 22 3.537 0.899 6.125 1.00 1.00 H new ATOM 0 HA SER B 22 3.939 -1.958 6.552 1.00 1.00 H new ATOM 0 HB2 SER B 22 1.579 -1.621 7.571 1.00 1.00 H new ATOM 0 HB3 SER B 22 2.920 -0.834 8.380 1.00 1.00 H new ATOM 0 HG SER B 22 0.733 0.293 7.242 1.00 1.00 H new ATOM 912 N THR B 23 2.549 -1.038 3.950 1.00 1.00 N ATOM 913 CA THR B 23 1.809 -1.438 2.760 1.00 1.00 C ATOM 914 C THR B 23 2.725 -1.457 1.533 1.00 1.00 C ATOM 915 O THR B 23 2.271 -1.373 0.392 1.00 1.00 O ATOM 916 CB THR B 23 0.617 -0.489 2.516 1.00 1.00 C ATOM 917 OG1 THR B 23 0.152 0.035 3.766 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.525 -1.215 1.830 1.00 1.00 C ATOM 0 H THR B 23 3.165 -0.236 3.816 1.00 1.00 H new ATOM 0 HA THR B 23 1.426 -2.445 2.924 1.00 1.00 H new ATOM 0 HB THR B 23 0.957 0.322 1.872 1.00 1.00 H new ATOM 0 HG1 THR B 23 0.076 1.010 3.704 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.352 -0.523 1.670 1.00 1.00 H new ATOM 0 HG22 THR B 23 -0.185 -1.603 0.870 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.860 -2.042 2.457 1.00 1.00 H new ATOM 926 N LEU B 24 4.022 -1.605 1.779 1.00 1.00 N ATOM 927 CA LEU B 24 5.009 -1.623 0.705 1.00 1.00 C ATOM 928 C LEU B 24 4.946 -2.921 -0.097 1.00 1.00 C ATOM 929 O LEU B 24 5.290 -2.945 -1.281 1.00 1.00 O ATOM 930 CB LEU B 24 6.417 -1.432 1.271 1.00 1.00 C ATOM 931 CG LEU B 24 6.744 -0.015 1.745 1.00 1.00 C ATOM 932 CD1 LEU B 24 8.130 0.030 2.370 1.00 1.00 C ATOM 933 CD2 LEU B 24 6.655 0.964 0.587 1.00 1.00 C ATOM 0 H LEU B 24 4.415 -1.714 2.714 1.00 1.00 H new ATOM 0 HA LEU B 24 4.774 -0.798 0.032 1.00 1.00 H new ATOM 0 HB2 LEU B 24 6.550 -2.117 2.108 1.00 1.00 H new ATOM 0 HB3 LEU B 24 7.140 -1.718 0.507 1.00 1.00 H new ATOM 0 HG LEU B 24 6.014 0.273 2.501 1.00 1.00 H new ATOM 0 HD11 LEU B 24 8.347 1.045 2.702 1.00 1.00 H new ATOM 0 HD12 LEU B 24 8.166 -0.646 3.224 1.00 1.00 H new ATOM 0 HD13 LEU B 24 8.872 -0.277 1.633 1.00 1.00 H new ATOM 0 HD21 LEU B 24 6.890 1.968 0.940 1.00 1.00 H new ATOM 0 HD22 LEU B 24 7.365 0.676 -0.188 1.00 1.00 H new ATOM 0 HD23 LEU B 24 5.645 0.951 0.177 1.00 1.00 H new ATOM 945 N GLU B 25 4.483 -3.993 0.538 1.00 1.00 N ATOM 946 CA GLU B 25 4.389 -5.288 -0.124 1.00 1.00 C ATOM 947 C GLU B 25 3.166 -5.327 -1.035 1.00 1.00 C ATOM 948 O GLU B 25 3.084 -6.148 -1.947 1.00 1.00 O ATOM 949 CB GLU B 25 4.346 -6.428 0.903 1.00 1.00 C ATOM 950 CG GLU B 25 2.959 -6.754 1.427 1.00 1.00 C ATOM 951 CD GLU B 25 2.498 -5.801 2.505 1.00 1.00 C ATOM 952 OE1 GLU B 25 2.406 -4.586 2.235 1.00 1.00 O ATOM 953 OE2 GLU B 25 2.194 -6.273 3.620 1.00 1.00 O ATOM 0 H GLU B 25 4.168 -3.990 1.508 1.00 1.00 H new ATOM 0 HA GLU B 25 5.280 -5.428 -0.736 1.00 1.00 H new ATOM 0 HB2 GLU B 25 4.769 -7.324 0.449 1.00 1.00 H new ATOM 0 HB3 GLU B 25 4.986 -6.165 1.745 1.00 1.00 H new ATOM 0 HG2 GLU B 25 2.249 -6.730 0.600 1.00 1.00 H new ATOM 0 HG3 GLU B 25 2.955 -7.770 1.821 1.00 1.00 H new ATOM 960 N ALA B 26 2.210 -4.445 -0.767 1.00 1.00 N ATOM 961 CA ALA B 26 1.006 -4.355 -1.580 1.00 1.00 C ATOM 962 C ALA B 26 1.277 -3.494 -2.803 1.00 1.00 C ATOM 963 O ALA B 26 0.692 -3.695 -3.868 1.00 1.00 O ATOM 964 CB ALA B 26 -0.146 -3.790 -0.768 1.00 1.00 C ATOM 0 H ALA B 26 2.247 -3.782 0.008 1.00 1.00 H new ATOM 0 HA ALA B 26 0.724 -5.355 -1.909 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -1.037 -3.730 -1.393 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.344 -4.440 0.084 1.00 1.00 H new ATOM 0 HB3 ALA B 26 0.114 -2.793 -0.412 1.00 1.00 H new ATOM 970 N HIS B 27 2.178 -2.534 -2.642 1.00 1.00 N ATOM 971 CA HIS B 27 2.557 -1.651 -3.734 1.00 1.00 C ATOM 972 C HIS B 27 3.317 -2.457 -4.780 1.00 1.00 C ATOM 973 O HIS B 27 3.034 -2.375 -5.974 1.00 1.00 O ATOM 974 CB HIS B 27 3.413 -0.482 -3.209 1.00 1.00 C ATOM 975 CG HIS B 27 3.958 0.421 -4.286 1.00 1.00 C ATOM 976 ND1 HIS B 27 3.543 1.722 -4.491 1.00 1.00 N ATOM 977 CD2 HIS B 27 4.913 0.183 -5.223 1.00 1.00 C ATOM 978 CE1 HIS B 27 4.249 2.216 -5.524 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.090 1.318 -6.002 1.00 1.00 N ATOM 0 H HIS B 27 2.660 -2.348 -1.763 1.00 1.00 H new ATOM 0 HA HIS B 27 1.663 -1.226 -4.190 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.812 0.113 -2.522 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.246 -0.887 -2.635 1.00 1.00 H new ATOM 0 HD1 HIS B 27 2.830 2.218 -3.956 1.00 1.00 H new ATOM 0 HD2 HIS B 27 5.451 -0.746 -5.343 1.00 1.00 H new ATOM 0 HE1 HIS B 27 4.142 3.218 -5.912 1.00 1.00 H new ATOM 987 N GLN B 28 4.256 -3.269 -4.313 1.00 1.00 N ATOM 988 CA GLN B 28 5.064 -4.099 -5.197 1.00 1.00 C ATOM 989 C GLN B 28 4.295 -5.344 -5.626 1.00 1.00 C ATOM 990 O GLN B 28 4.845 -6.246 -6.252 1.00 1.00 O ATOM 991 CB GLN B 28 6.362 -4.497 -4.501 1.00 1.00 C ATOM 992 CG GLN B 28 7.206 -3.310 -4.071 1.00 1.00 C ATOM 993 CD GLN B 28 8.676 -3.504 -4.377 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.428 -4.035 -3.559 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.097 -3.075 -5.557 1.00 1.00 N ATOM 0 H GLN B 28 4.478 -3.371 -3.323 1.00 1.00 H new ATOM 0 HA GLN B 28 5.301 -3.519 -6.089 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.125 -5.101 -3.625 1.00 1.00 H new ATOM 0 HB3 GLN B 28 6.947 -5.125 -5.172 1.00 1.00 H new ATOM 0 HG2 GLN B 28 6.848 -2.412 -4.575 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.079 -3.147 -3.001 1.00 1.00 H new ATOM 0 HE21 GLN B 28 8.441 -2.641 -6.206 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.078 -3.179 -5.817 1.00 1.00 H new ATOM 1004 N ALA B 29 3.022 -5.393 -5.271 1.00 1.00 N ATOM 1005 CA ALA B 29 2.178 -6.514 -5.632 1.00 1.00 C ATOM 1006 C ALA B 29 1.348 -6.175 -6.856 1.00 1.00 C ATOM 1007 O ALA B 29 0.712 -7.047 -7.450 1.00 1.00 O ATOM 1008 CB ALA B 29 1.273 -6.898 -4.471 1.00 1.00 C ATOM 0 H ALA B 29 2.552 -4.666 -4.732 1.00 1.00 H new ATOM 0 HA ALA B 29 2.817 -7.365 -5.867 1.00 1.00 H new ATOM 0 HB1 ALA B 29 0.647 -7.742 -4.761 1.00 1.00 H new ATOM 0 HB2 ALA B 29 1.882 -7.177 -3.612 1.00 1.00 H new ATOM 0 HB3 ALA B 29 0.640 -6.051 -4.207 1.00 1.00 H new ATOM 1014 N TYR B 30 1.363 -4.904 -7.236 1.00 1.00 N ATOM 1015 CA TYR B 30 0.590 -4.447 -8.380 1.00 1.00 C ATOM 1016 C TYR B 30 1.383 -3.492 -9.261 1.00 1.00 C ATOM 1017 O TYR B 30 1.388 -3.631 -10.483 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.694 -3.771 -7.914 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.692 -4.734 -7.314 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.594 -5.418 -8.117 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.729 -4.960 -5.943 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -3.506 -6.296 -7.572 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -2.638 -5.837 -5.392 1.00 1.00 C ATOM 1024 CZ TYR B 30 -3.524 -6.502 -6.211 1.00 1.00 C ATOM 1025 OH TYR B 30 -4.434 -7.374 -5.668 1.00 1.00 O ATOM 0 H TYR B 30 1.901 -4.174 -6.769 1.00 1.00 H new ATOM 0 HA TYR B 30 0.346 -5.326 -8.977 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.447 -3.007 -7.176 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.155 -3.260 -8.759 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -2.581 -5.260 -9.185 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -1.035 -4.440 -5.300 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -4.203 -6.820 -8.209 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -2.656 -6.002 -4.325 1.00 1.00 H new ATOM 0 HH TYR B 30 -5.125 -6.870 -5.190 1.00 1.00 H new ATOM 1035 N TYR B 31 2.044 -2.520 -8.645 1.00 1.00 N ATOM 1036 CA TYR B 31 2.820 -1.543 -9.394 1.00 1.00 C ATOM 1037 C TYR B 31 4.131 -2.151 -9.884 1.00 1.00 C ATOM 1038 O TYR B 31 4.271 -2.433 -11.075 1.00 1.00 O ATOM 1039 CB TYR B 31 3.070 -0.290 -8.554 1.00 1.00 C ATOM 1040 CG TYR B 31 1.968 0.743 -8.675 1.00 1.00 C ATOM 1041 CD1 TYR B 31 1.164 0.802 -9.808 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.738 1.662 -7.662 1.00 1.00 C ATOM 1043 CE1 TYR B 31 0.163 1.748 -9.925 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.739 2.610 -7.771 1.00 1.00 C ATOM 1045 CZ TYR B 31 -0.044 2.650 -8.905 1.00 1.00 C ATOM 1046 OH TYR B 31 -1.037 3.597 -9.019 1.00 1.00 O ATOM 0 H TYR B 31 2.058 -2.388 -7.634 1.00 1.00 H new ATOM 0 HA TYR B 31 2.243 -1.248 -10.270 1.00 1.00 H new ATOM 0 HB2 TYR B 31 3.176 -0.578 -7.508 1.00 1.00 H new ATOM 0 HB3 TYR B 31 4.015 0.160 -8.858 1.00 1.00 H new ATOM 0 HD1 TYR B 31 1.324 0.097 -10.610 1.00 1.00 H new ATOM 0 HD2 TYR B 31 2.350 1.636 -6.773 1.00 1.00 H new ATOM 0 HE1 TYR B 31 -0.453 1.780 -10.811 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.572 3.317 -6.971 1.00 1.00 H new ATOM 0 HH TYR B 31 -1.913 3.163 -8.949 1.00 1.00 H new ATOM 1056 N CYS B 32 5.085 -2.355 -8.983 1.00 1.00 N ATOM 1057 CA CYS B 32 6.355 -2.951 -9.364 1.00 1.00 C ATOM 1058 C CYS B 32 6.211 -4.469 -9.402 1.00 1.00 C ATOM 1059 O CYS B 32 6.549 -5.159 -8.438 1.00 1.00 O ATOM 1060 CB CYS B 32 7.461 -2.535 -8.390 1.00 1.00 C ATOM 1061 SG CYS B 32 6.889 -1.492 -7.011 1.00 1.00 S ATOM 0 H CYS B 32 5.003 -2.119 -7.994 1.00 1.00 H new ATOM 0 HA CYS B 32 6.634 -2.595 -10.356 1.00 1.00 H new ATOM 0 HB2 CYS B 32 7.927 -3.432 -7.983 1.00 1.00 H new ATOM 0 HB3 CYS B 32 8.232 -1.997 -8.942 1.00 1.00 H new ATOM 1066 N SER B 33 5.699 -4.966 -10.528 1.00 1.00 N ATOM 1067 CA SER B 33 5.453 -6.392 -10.733 1.00 1.00 C ATOM 1068 C SER B 33 4.258 -6.842 -9.890 1.00 1.00 C ATOM 1069 O SER B 33 3.644 -6.036 -9.188 1.00 1.00 O ATOM 1070 CB SER B 33 6.695 -7.224 -10.393 1.00 1.00 C ATOM 1071 OG SER B 33 7.846 -6.721 -11.059 1.00 1.00 O ATOM 0 H SER B 33 5.442 -4.387 -11.327 1.00 1.00 H new ATOM 0 HA SER B 33 5.225 -6.552 -11.787 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.860 -7.213 -9.316 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.530 -8.263 -10.679 1.00 1.00 H new ATOM 0 HG SER B 33 8.625 -7.268 -10.824 1.00 1.00 H new ATOM 1077 N HIS B 34 3.902 -8.112 -9.978 1.00 1.00 N ATOM 1078 CA HIS B 34 2.788 -8.626 -9.203 1.00 1.00 C ATOM 1079 C HIS B 34 3.292 -9.587 -8.145 1.00 1.00 C ATOM 1080 O HIS B 34 4.200 -10.377 -8.397 1.00 1.00 O ATOM 1081 CB HIS B 34 1.758 -9.310 -10.103 1.00 1.00 C ATOM 1082 CG HIS B 34 0.955 -8.343 -10.918 1.00 1.00 C ATOM 1083 ND1 HIS B 34 0.163 -7.314 -10.540 1.00 1.00 N flip ATOM 1084 CD2 HIS B 34 0.918 -8.367 -12.294 1.00 1.00 C flip ATOM 1085 CE1 HIS B 34 -0.327 -6.737 -11.684 1.00 1.00 C flip ATOM 1086 NE2 HIS B 34 0.145 -7.388 -12.730 1.00 1.00 N flip ATOM 0 H HIS B 34 4.364 -8.800 -10.573 1.00 1.00 H new ATOM 0 HA HIS B 34 2.295 -7.786 -8.713 1.00 1.00 H new ATOM 0 HB2 HIS B 34 2.271 -10.001 -10.772 1.00 1.00 H new ATOM 0 HB3 HIS B 34 1.083 -9.904 -9.487 1.00 1.00 H new ATOM 0 HD2 HIS B 34 1.440 -9.076 -12.920 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -0.992 -5.887 -11.722 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.053 -7.173 -13.707 1.00 1.00 H new ATOM 1095 N ARG B 35 2.711 -9.503 -6.962 1.00 1.00 N ATOM 1096 CA ARG B 35 3.104 -10.354 -5.853 1.00 1.00 C ATOM 1097 C ARG B 35 1.911 -11.152 -5.357 1.00 1.00 C ATOM 1098 O ARG B 35 0.855 -10.591 -5.079 1.00 1.00 O ATOM 1099 CB ARG B 35 3.681 -9.502 -4.716 1.00 1.00 C ATOM 1100 CG ARG B 35 4.072 -10.295 -3.476 1.00 1.00 C ATOM 1101 CD ARG B 35 3.297 -9.830 -2.247 1.00 1.00 C ATOM 1102 NE ARG B 35 1.966 -10.435 -2.175 1.00 1.00 N ATOM 1103 CZ ARG B 35 0.879 -9.813 -1.715 1.00 1.00 C ATOM 1104 NH1 ARG B 35 0.936 -8.548 -1.314 1.00 1.00 N ATOM 1105 NH2 ARG B 35 -0.280 -10.455 -1.678 1.00 1.00 N ATOM 0 H ARG B 35 1.960 -8.849 -6.743 1.00 1.00 H new ATOM 0 HA ARG B 35 3.871 -11.049 -6.196 1.00 1.00 H new ATOM 0 HB2 ARG B 35 4.558 -8.971 -5.085 1.00 1.00 H new ATOM 0 HB3 ARG B 35 2.947 -8.748 -4.434 1.00 1.00 H new ATOM 0 HG2 ARG B 35 3.884 -11.355 -3.646 1.00 1.00 H new ATOM 0 HG3 ARG B 35 5.141 -10.186 -3.296 1.00 1.00 H new ATOM 0 HD2 ARG B 35 3.859 -10.082 -1.348 1.00 1.00 H new ATOM 0 HD3 ARG B 35 3.201 -8.744 -2.269 1.00 1.00 H new ATOM 0 HE ARG B 35 1.863 -11.397 -2.498 1.00 1.00 H new ATOM 0 HH11 ARG B 35 1.819 -8.039 -1.355 1.00 1.00 H new ATOM 0 HH12 ARG B 35 0.097 -8.085 -0.965 1.00 1.00 H new ATOM 0 HH21 ARG B 35 -0.338 -11.421 -2.000 1.00 1.00 H new ATOM 0 HH22 ARG B 35 -1.113 -9.983 -1.327 1.00 1.00 H new ATOM 1119 N ILE B 36 2.078 -12.459 -5.263 1.00 1.00 N ATOM 1120 CA ILE B 36 1.017 -13.326 -4.787 1.00 1.00 C ATOM 1121 C ILE B 36 1.191 -13.595 -3.297 1.00 1.00 C ATOM 1122 O ILE B 36 0.441 -13.005 -2.497 1.00 1.00 O ATOM 1123 CB ILE B 36 0.969 -14.663 -5.562 1.00 1.00 C ATOM 1124 CG1 ILE B 36 2.379 -15.107 -5.973 1.00 1.00 C ATOM 1125 CG2 ILE B 36 0.065 -14.535 -6.780 1.00 1.00 C ATOM 1126 CD1 ILE B 36 2.419 -16.467 -6.637 1.00 1.00 C ATOM 1127 OXT ILE B 36 2.100 -14.364 -2.929 1.00 1.00 O ATOM 0 H ILE B 36 2.941 -12.944 -5.511 1.00 1.00 H new ATOM 0 HA ILE B 36 0.072 -12.811 -4.959 1.00 1.00 H new ATOM 0 HB ILE B 36 0.556 -15.428 -4.905 1.00 1.00 H new ATOM 0 HG12 ILE B 36 2.799 -14.367 -6.654 1.00 1.00 H new ATOM 0 HG13 ILE B 36 3.017 -15.125 -5.089 1.00 1.00 H new ATOM 0 HG21 ILE B 36 0.041 -15.484 -7.316 1.00 1.00 H new ATOM 0 HG22 ILE B 36 -0.943 -14.274 -6.459 1.00 1.00 H new ATOM 0 HG23 ILE B 36 0.450 -13.756 -7.438 1.00 1.00 H new ATOM 0 HD11 ILE B 36 3.448 -16.714 -6.899 1.00 1.00 H new ATOM 0 HD12 ILE B 36 2.029 -17.219 -5.950 1.00 1.00 H new ATOM 0 HD13 ILE B 36 1.809 -16.449 -7.540 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -6.572 2.121 -4.113 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 6.467 0.743 -7.235 1.00 1.00 ZN