USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 LYS NZ :NH3+ 165:sc= -0.022 (180deg=-0.193) USER MOD Set 1.2: A 85 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Set 2.1: A 30 CYS SG : rot 31:sc= 0.14 USER MOD Set 2.2: A 33 CYS SG : rot -50:sc= -3.58 USER MOD Set 2.3: A 64 HIS : no HE2:sc= -4.88! C(o=-8.3!,f=-11!) USER MOD Set 2.4: A 67 CYS SG : rot 179:sc= 0.0409 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0119) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.838 K(o=-0.84,f=-1.5) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -178:sc= 0 (180deg=-0.00955) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 0.0836 (180deg=0.00375) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -149:sc= -0.0889 (180deg=-0.887) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.33) USER MOD Single : A 58 MET CE :methyl 173:sc= -7.31! (180deg=-7.53!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0879) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 49:sc= -0.0191 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.108) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc=0.000499 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 16.786 14.114 -3.159 1.00 0.00 N ATOM 132 CA LYS A 13 15.618 14.342 -4.003 1.00 0.00 C ATOM 133 C LYS A 13 14.784 13.071 -4.131 1.00 0.00 C ATOM 134 O LYS A 13 14.895 12.339 -5.115 1.00 0.00 O ATOM 135 CB LYS A 13 16.051 14.823 -5.389 1.00 0.00 C ATOM 136 CG LYS A 13 14.890 15.070 -6.337 1.00 0.00 C ATOM 137 CD LYS A 13 15.366 15.629 -7.668 1.00 0.00 C ATOM 138 CE LYS A 13 16.094 14.574 -8.487 1.00 0.00 C ATOM 139 NZ LYS A 13 15.171 13.505 -8.961 1.00 0.00 N ATOM 0 HA LYS A 13 15.006 15.112 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 13 16.624 15.744 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.718 14.082 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.351 14.137 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.187 15.766 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.512 16.004 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.029 16.476 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.573 15.047 -9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.886 14.129 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.634 12.954 -9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.931 12.877 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.302 13.937 -9.335 1.00 0.00 H new ATOM 153 N THR A 14 13.946 12.815 -3.131 1.00 0.00 N ATOM 154 CA THR A 14 13.092 11.634 -3.132 1.00 0.00 C ATOM 155 C THR A 14 11.697 11.963 -2.613 1.00 0.00 C ATOM 156 O THR A 14 11.540 12.758 -1.685 1.00 0.00 O ATOM 157 CB THR A 14 13.694 10.505 -2.274 1.00 0.00 C ATOM 158 OG1 THR A 14 15.050 10.262 -2.665 1.00 0.00 O ATOM 159 CG2 THR A 14 12.883 9.226 -2.416 1.00 0.00 C ATOM 0 H THR A 14 13.841 13.410 -2.310 1.00 0.00 H new ATOM 0 HA THR A 14 13.021 11.296 -4.166 1.00 0.00 H new ATOM 0 HB THR A 14 13.668 10.819 -1.230 1.00 0.00 H new ATOM 0 HG1 THR A 14 15.426 9.544 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.327 8.443 -1.801 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.859 9.406 -2.090 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.881 8.910 -3.459 1.00 0.00 H new ATOM 167 N LEU A 15 10.686 11.348 -3.217 1.00 0.00 N ATOM 168 CA LEU A 15 9.303 11.575 -2.815 1.00 0.00 C ATOM 169 C LEU A 15 8.986 10.841 -1.516 1.00 0.00 C ATOM 170 O LEU A 15 8.572 9.683 -1.530 1.00 0.00 O ATOM 171 CB LEU A 15 8.348 11.116 -3.919 1.00 0.00 C ATOM 172 CG LEU A 15 8.659 11.622 -5.328 1.00 0.00 C ATOM 173 CD1 LEU A 15 7.670 11.049 -6.331 1.00 0.00 C ATOM 174 CD2 LEU A 15 8.640 13.143 -5.365 1.00 0.00 C ATOM 0 H LEU A 15 10.798 10.688 -3.987 1.00 0.00 H new ATOM 0 HA LEU A 15 9.170 12.644 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.344 10.026 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.339 11.434 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 15 9.659 11.285 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.907 11.420 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.734 9.961 -6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.659 11.355 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.863 13.485 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.654 13.502 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.389 13.533 -4.676 1.00 0.00 H new ATOM 186 N GLY A 16 9.180 11.526 -0.392 1.00 0.00 N ATOM 187 CA GLY A 16 8.908 10.924 0.900 1.00 0.00 C ATOM 188 C GLY A 16 7.551 10.251 0.952 1.00 0.00 C ATOM 189 O GLY A 16 7.420 9.143 1.473 1.00 0.00 O ATOM 0 H GLY A 16 9.521 12.487 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.682 10.191 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.960 11.691 1.673 1.00 0.00 H new ATOM 193 N ASP A 17 6.539 10.921 0.412 1.00 0.00 N ATOM 194 CA ASP A 17 5.185 10.381 0.399 1.00 0.00 C ATOM 195 C ASP A 17 5.157 8.999 -0.244 1.00 0.00 C ATOM 196 O ASP A 17 4.447 8.103 0.214 1.00 0.00 O ATOM 197 CB ASP A 17 4.243 11.325 -0.350 1.00 0.00 C ATOM 198 CG ASP A 17 4.854 11.855 -1.632 1.00 0.00 C ATOM 199 OD1 ASP A 17 5.493 11.062 -2.357 1.00 0.00 O ATOM 200 OD2 ASP A 17 4.693 13.060 -1.913 1.00 0.00 O ATOM 0 H ASP A 17 6.631 11.839 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 17 4.848 10.288 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.316 10.800 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.981 12.162 0.298 1.00 0.00 H new ATOM 205 N PHE A 18 5.933 8.832 -1.310 1.00 0.00 N ATOM 206 CA PHE A 18 5.996 7.559 -2.019 1.00 0.00 C ATOM 207 C PHE A 18 7.257 6.788 -1.641 1.00 0.00 C ATOM 208 O PHE A 18 8.370 7.296 -1.771 1.00 0.00 O ATOM 209 CB PHE A 18 5.960 7.791 -3.531 1.00 0.00 C ATOM 210 CG PHE A 18 4.626 8.267 -4.033 1.00 0.00 C ATOM 211 CD1 PHE A 18 3.475 7.541 -3.776 1.00 0.00 C ATOM 212 CD2 PHE A 18 4.525 9.440 -4.763 1.00 0.00 C ATOM 213 CE1 PHE A 18 2.246 7.976 -4.236 1.00 0.00 C ATOM 214 CE2 PHE A 18 3.299 9.881 -5.225 1.00 0.00 C ATOM 215 CZ PHE A 18 2.159 9.147 -4.962 1.00 0.00 C ATOM 0 H PHE A 18 6.527 9.563 -1.702 1.00 0.00 H new ATOM 0 HA PHE A 18 5.128 6.966 -1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.722 8.524 -3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.220 6.863 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.538 6.624 -3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.414 10.016 -4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.356 7.401 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.233 10.798 -5.791 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.201 9.489 -5.324 1.00 0.00 H new ATOM 225 N ALA A 19 7.073 5.558 -1.173 1.00 0.00 N ATOM 226 CA ALA A 19 8.195 4.716 -0.777 1.00 0.00 C ATOM 227 C ALA A 19 8.058 3.311 -1.355 1.00 0.00 C ATOM 228 O ALA A 19 6.981 2.717 -1.317 1.00 0.00 O ATOM 229 CB ALA A 19 8.302 4.657 0.740 1.00 0.00 C ATOM 0 H ALA A 19 6.158 5.123 -1.059 1.00 0.00 H new ATOM 0 HA ALA A 19 9.108 5.158 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.144 4.025 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.456 5.662 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.383 4.242 1.154 1.00 0.00 H new ATOM 235 N ALA A 20 9.155 2.786 -1.889 1.00 0.00 N ATOM 236 CA ALA A 20 9.157 1.451 -2.474 1.00 0.00 C ATOM 237 C ALA A 20 10.219 0.570 -1.826 1.00 0.00 C ATOM 238 O ALA A 20 11.349 1.005 -1.605 1.00 0.00 O ATOM 239 CB ALA A 20 9.381 1.533 -3.976 1.00 0.00 C ATOM 0 H ALA A 20 10.055 3.265 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 20 8.183 0.998 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.380 0.529 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.583 2.119 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.341 2.010 -4.175 1.00 0.00 H new ATOM 245 N GLU A 21 9.849 -0.671 -1.523 1.00 0.00 N ATOM 246 CA GLU A 21 10.771 -1.612 -0.899 1.00 0.00 C ATOM 247 C GLU A 21 10.145 -3.000 -0.795 1.00 0.00 C ATOM 248 O GLU A 21 8.974 -3.190 -1.124 1.00 0.00 O ATOM 249 CB GLU A 21 11.176 -1.118 0.491 1.00 0.00 C ATOM 250 CG GLU A 21 10.061 -1.213 1.520 1.00 0.00 C ATOM 251 CD GLU A 21 10.233 -0.227 2.659 1.00 0.00 C ATOM 252 OE1 GLU A 21 11.119 -0.453 3.510 1.00 0.00 O ATOM 253 OE2 GLU A 21 9.482 0.769 2.700 1.00 0.00 O ATOM 0 H GLU A 21 8.918 -1.047 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 21 11.660 -1.679 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.030 -1.699 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.504 -0.081 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.104 -1.034 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.028 -2.225 1.923 1.00 0.00 H new ATOM 260 N TYR A 22 10.933 -3.965 -0.336 1.00 0.00 N ATOM 261 CA TYR A 22 10.458 -5.336 -0.192 1.00 0.00 C ATOM 262 C TYR A 22 9.612 -5.489 1.068 1.00 0.00 C ATOM 263 O TYR A 22 10.064 -5.191 2.173 1.00 0.00 O ATOM 264 CB TYR A 22 11.640 -6.306 -0.146 1.00 0.00 C ATOM 265 CG TYR A 22 12.539 -6.222 -1.359 1.00 0.00 C ATOM 266 CD1 TYR A 22 12.151 -6.772 -2.575 1.00 0.00 C ATOM 267 CD2 TYR A 22 13.776 -5.592 -1.290 1.00 0.00 C ATOM 268 CE1 TYR A 22 12.969 -6.698 -3.686 1.00 0.00 C ATOM 269 CE2 TYR A 22 14.600 -5.513 -2.396 1.00 0.00 C ATOM 270 CZ TYR A 22 14.192 -6.068 -3.591 1.00 0.00 C ATOM 271 OH TYR A 22 15.010 -5.991 -4.696 1.00 0.00 O ATOM 0 H TYR A 22 11.904 -3.824 -0.057 1.00 0.00 H new ATOM 0 HA TYR A 22 9.837 -5.571 -1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 22 12.230 -6.104 0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.261 -7.324 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.194 -7.266 -2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 22 14.099 -5.157 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.652 -7.131 -4.623 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.558 -5.020 -2.325 1.00 0.00 H new ATOM 0 HH TYR A 22 15.834 -5.515 -4.461 1.00 0.00 H new ATOM 281 N ALA A 23 8.380 -5.957 0.893 1.00 0.00 N ATOM 282 CA ALA A 23 7.470 -6.153 2.015 1.00 0.00 C ATOM 283 C ALA A 23 8.155 -6.902 3.153 1.00 0.00 C ATOM 284 O ALA A 23 8.644 -8.017 2.970 1.00 0.00 O ATOM 285 CB ALA A 23 6.226 -6.902 1.560 1.00 0.00 C ATOM 0 H ALA A 23 7.989 -6.207 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 23 7.174 -5.172 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.555 -7.042 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.718 -6.327 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.513 -7.875 1.160 1.00 0.00 H new ATOM 291 N LYS A 24 8.188 -6.282 4.328 1.00 0.00 N ATOM 292 CA LYS A 24 8.813 -6.890 5.497 1.00 0.00 C ATOM 293 C LYS A 24 7.955 -8.027 6.042 1.00 0.00 C ATOM 294 O LYS A 24 8.464 -9.098 6.372 1.00 0.00 O ATOM 295 CB LYS A 24 9.036 -5.838 6.585 1.00 0.00 C ATOM 296 CG LYS A 24 10.204 -6.153 7.504 1.00 0.00 C ATOM 297 CD LYS A 24 9.818 -7.166 8.569 1.00 0.00 C ATOM 298 CE LYS A 24 9.065 -6.509 9.716 1.00 0.00 C ATOM 299 NZ LYS A 24 9.981 -5.777 10.634 1.00 0.00 N ATOM 0 H LYS A 24 7.789 -5.358 4.496 1.00 0.00 H new ATOM 0 HA LYS A 24 9.776 -7.299 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.206 -4.870 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.129 -5.747 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.036 -6.541 6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.550 -5.236 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.198 -7.945 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.715 -7.652 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.324 -5.817 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.521 -7.270 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.442 -5.415 11.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.724 -6.422 10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.418 -4.981 10.127 1.00 0.00 H new ATOM 313 N SER A 25 6.651 -7.787 6.134 1.00 0.00 N ATOM 314 CA SER A 25 5.723 -8.791 6.641 1.00 0.00 C ATOM 315 C SER A 25 4.451 -8.830 5.800 1.00 0.00 C ATOM 316 O SER A 25 4.032 -7.818 5.240 1.00 0.00 O ATOM 317 CB SER A 25 5.372 -8.500 8.102 1.00 0.00 C ATOM 318 OG SER A 25 6.338 -9.054 8.978 1.00 0.00 O ATOM 0 H SER A 25 6.213 -6.906 5.864 1.00 0.00 H new ATOM 0 HA SER A 25 6.210 -9.764 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.311 -7.423 8.257 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.389 -8.911 8.332 1.00 0.00 H new ATOM 0 HG SER A 25 6.092 -8.853 9.905 1.00 0.00 H new ATOM 324 N ASN A 26 3.841 -10.008 5.715 1.00 0.00 N ATOM 325 CA ASN A 26 2.617 -10.181 4.942 1.00 0.00 C ATOM 326 C ASN A 26 1.397 -9.746 5.748 1.00 0.00 C ATOM 327 O ASN A 26 0.359 -10.407 5.729 1.00 0.00 O ATOM 328 CB ASN A 26 2.463 -11.641 4.511 1.00 0.00 C ATOM 329 CG ASN A 26 2.081 -12.547 5.666 1.00 0.00 C ATOM 330 OD1 ASN A 26 2.883 -12.792 6.568 1.00 0.00 O ATOM 331 ND2 ASN A 26 0.853 -13.050 5.642 1.00 0.00 N ATOM 0 H ASN A 26 4.175 -10.857 6.172 1.00 0.00 H new ATOM 0 HA ASN A 26 2.687 -9.552 4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.703 -11.709 3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.399 -11.989 4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.540 -13.667 6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.222 -12.819 4.874 1.00 0.00 H new ATOM 338 N ARG A 27 1.531 -8.629 6.457 1.00 0.00 N ATOM 339 CA ARG A 27 0.440 -8.106 7.271 1.00 0.00 C ATOM 340 C ARG A 27 -0.338 -7.034 6.513 1.00 0.00 C ATOM 341 O ARG A 27 -1.548 -7.151 6.319 1.00 0.00 O ATOM 342 CB ARG A 27 0.984 -7.528 8.579 1.00 0.00 C ATOM 343 CG ARG A 27 1.590 -8.573 9.501 1.00 0.00 C ATOM 344 CD ARG A 27 1.701 -8.059 10.928 1.00 0.00 C ATOM 345 NE ARG A 27 2.731 -7.032 11.061 1.00 0.00 N ATOM 346 CZ ARG A 27 3.320 -6.727 12.212 1.00 0.00 C ATOM 347 NH1 ARG A 27 2.985 -7.369 13.323 1.00 0.00 N ATOM 348 NH2 ARG A 27 4.249 -5.780 12.253 1.00 0.00 N ATOM 0 H ARG A 27 2.383 -8.070 6.484 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.237 -8.929 7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.740 -6.777 8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.177 -7.017 9.104 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.977 -9.474 9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.578 -8.853 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.740 -7.652 11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.929 -8.890 11.596 1.00 0.00 H new ATOM 0 HE ARG A 27 3.013 -6.521 10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.273 -8.099 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.439 -7.133 14.205 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.511 -5.286 11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.701 -5.547 13.137 1.00 0.00 H new ATOM 362 N SER A 28 0.365 -5.989 6.088 1.00 0.00 N ATOM 363 CA SER A 28 -0.260 -4.894 5.355 1.00 0.00 C ATOM 364 C SER A 28 -1.198 -5.427 4.277 1.00 0.00 C ATOM 365 O SER A 28 -0.898 -6.419 3.611 1.00 0.00 O ATOM 366 CB SER A 28 0.809 -4.001 4.722 1.00 0.00 C ATOM 367 OG SER A 28 1.590 -3.358 5.714 1.00 0.00 O ATOM 0 H SER A 28 1.368 -5.878 6.239 1.00 0.00 H new ATOM 0 HA SER A 28 -0.845 -4.304 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.454 -4.600 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.333 -3.253 4.088 1.00 0.00 H new ATOM 0 HG SER A 28 2.267 -2.795 5.283 1.00 0.00 H new ATOM 373 N THR A 29 -2.337 -4.762 4.110 1.00 0.00 N ATOM 374 CA THR A 29 -3.320 -5.168 3.115 1.00 0.00 C ATOM 375 C THR A 29 -3.708 -4.000 2.216 1.00 0.00 C ATOM 376 O THR A 29 -4.019 -2.910 2.697 1.00 0.00 O ATOM 377 CB THR A 29 -4.590 -5.734 3.778 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.235 -6.713 4.761 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.509 -6.361 2.740 1.00 0.00 C ATOM 0 H THR A 29 -2.601 -3.939 4.652 1.00 0.00 H new ATOM 0 HA THR A 29 -2.855 -5.948 2.512 1.00 0.00 H new ATOM 0 HB THR A 29 -5.119 -4.911 4.259 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.048 -7.067 5.179 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.399 -6.754 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.801 -5.607 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.986 -7.173 2.234 1.00 0.00 H new ATOM 387 N CYS A 30 -3.688 -4.233 0.908 1.00 0.00 N ATOM 388 CA CYS A 30 -4.038 -3.200 -0.059 1.00 0.00 C ATOM 389 C CYS A 30 -5.511 -2.819 0.060 1.00 0.00 C ATOM 390 O CYS A 30 -6.339 -3.624 0.488 1.00 0.00 O ATOM 391 CB CYS A 30 -3.738 -3.680 -1.481 1.00 0.00 C ATOM 392 SG CYS A 30 -4.020 -2.420 -2.766 1.00 0.00 S ATOM 0 H CYS A 30 -3.433 -5.129 0.493 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.434 -2.318 0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.700 -4.008 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.358 -4.550 -1.698 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.782 -1.240 -2.276 1.00 0.00 H new ATOM 397 N LYS A 31 -5.830 -1.587 -0.321 1.00 0.00 N ATOM 398 CA LYS A 31 -7.202 -1.098 -0.259 1.00 0.00 C ATOM 399 C LYS A 31 -7.858 -1.140 -1.636 1.00 0.00 C ATOM 400 O LYS A 31 -9.078 -1.251 -1.750 1.00 0.00 O ATOM 401 CB LYS A 31 -7.232 0.331 0.289 1.00 0.00 C ATOM 402 CG LYS A 31 -8.628 0.926 0.359 1.00 0.00 C ATOM 403 CD LYS A 31 -9.361 0.483 1.614 1.00 0.00 C ATOM 404 CE LYS A 31 -10.223 -0.742 1.352 1.00 0.00 C ATOM 405 NZ LYS A 31 -11.531 -0.379 0.740 1.00 0.00 N ATOM 0 H LYS A 31 -5.156 -0.908 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.763 -1.749 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.793 0.338 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.607 0.965 -0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.562 2.014 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.197 0.626 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.639 0.260 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.986 1.298 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.690 -1.426 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.395 -1.272 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.089 -1.241 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.051 0.254 1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.368 0.104 -0.166 1.00 0.00 H new ATOM 419 N GLY A 32 -7.039 -1.052 -2.679 1.00 0.00 N ATOM 420 CA GLY A 32 -7.557 -1.083 -4.034 1.00 0.00 C ATOM 421 C GLY A 32 -8.179 -2.420 -4.387 1.00 0.00 C ATOM 422 O GLY A 32 -9.256 -2.475 -4.980 1.00 0.00 O ATOM 0 H GLY A 32 -6.026 -0.960 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.302 -0.296 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.750 -0.865 -4.733 1.00 0.00 H new ATOM 426 N CYS A 33 -7.498 -3.501 -4.022 1.00 0.00 N ATOM 427 CA CYS A 33 -7.987 -4.845 -4.304 1.00 0.00 C ATOM 428 C CYS A 33 -8.490 -5.520 -3.031 1.00 0.00 C ATOM 429 O CYS A 33 -9.190 -6.530 -3.087 1.00 0.00 O ATOM 430 CB CYS A 33 -6.882 -5.690 -4.940 1.00 0.00 C ATOM 431 SG CYS A 33 -5.322 -5.703 -4.000 1.00 0.00 S ATOM 0 H CYS A 33 -6.605 -3.472 -3.530 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.819 -4.762 -5.003 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.238 -6.715 -5.046 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.685 -5.315 -5.945 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.971 -4.482 -3.724 1.00 0.00 H new ATOM 436 N MET A 34 -8.127 -4.954 -1.885 1.00 0.00 N ATOM 437 CA MET A 34 -8.542 -5.499 -0.598 1.00 0.00 C ATOM 438 C MET A 34 -8.038 -6.929 -0.426 1.00 0.00 C ATOM 439 O MET A 34 -8.813 -7.837 -0.126 1.00 0.00 O ATOM 440 CB MET A 34 -10.066 -5.465 -0.473 1.00 0.00 C ATOM 441 CG MET A 34 -10.643 -4.059 -0.457 1.00 0.00 C ATOM 442 SD MET A 34 -12.357 -4.017 0.101 1.00 0.00 S ATOM 443 CE MET A 34 -13.184 -4.789 -1.288 1.00 0.00 C ATOM 0 H MET A 34 -7.546 -4.118 -1.821 1.00 0.00 H new ATOM 0 HA MET A 34 -8.107 -4.881 0.188 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.503 -6.019 -1.304 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.359 -5.980 0.442 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.037 -3.429 0.195 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.581 -3.634 -1.459 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.259 -4.804 -1.109 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.975 -4.223 -2.196 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.821 -5.810 -1.406 1.00 0.00 H new ATOM 453 N GLU A 35 -6.737 -7.121 -0.619 1.00 0.00 N ATOM 454 CA GLU A 35 -6.132 -8.441 -0.485 1.00 0.00 C ATOM 455 C GLU A 35 -4.793 -8.355 0.241 1.00 0.00 C ATOM 456 O GLU A 35 -3.986 -7.463 -0.023 1.00 0.00 O ATOM 457 CB GLU A 35 -5.937 -9.078 -1.863 1.00 0.00 C ATOM 458 CG GLU A 35 -4.655 -8.649 -2.556 1.00 0.00 C ATOM 459 CD GLU A 35 -4.744 -8.757 -4.066 1.00 0.00 C ATOM 460 OE1 GLU A 35 -5.816 -8.438 -4.622 1.00 0.00 O ATOM 461 OE2 GLU A 35 -3.741 -9.160 -4.692 1.00 0.00 O ATOM 0 H GLU A 35 -6.082 -6.380 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.806 -9.063 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.937 -10.163 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.786 -8.821 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.425 -7.619 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.830 -9.265 -2.199 1.00 0.00 H new ATOM 468 N LYS A 36 -4.563 -9.288 1.159 1.00 0.00 N ATOM 469 CA LYS A 36 -3.323 -9.320 1.924 1.00 0.00 C ATOM 470 C LYS A 36 -2.112 -9.203 1.004 1.00 0.00 C ATOM 471 O LYS A 36 -2.122 -9.712 -0.117 1.00 0.00 O ATOM 472 CB LYS A 36 -3.235 -10.613 2.738 1.00 0.00 C ATOM 473 CG LYS A 36 -3.403 -11.870 1.903 1.00 0.00 C ATOM 474 CD LYS A 36 -2.065 -12.396 1.411 1.00 0.00 C ATOM 475 CE LYS A 36 -2.140 -13.874 1.062 1.00 0.00 C ATOM 476 NZ LYS A 36 -0.789 -14.494 0.976 1.00 0.00 N ATOM 0 H LYS A 36 -5.220 -10.033 1.391 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.324 -8.468 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.270 -10.649 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.001 -10.597 3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.901 -12.638 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.047 -11.658 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.751 -11.830 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.307 -12.241 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.731 -14.395 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.657 -13.996 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.845 -15.373 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.133 -13.834 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.444 -14.709 1.933 1.00 0.00 H new ATOM 490 N ILE A 37 -1.071 -8.532 1.485 1.00 0.00 N ATOM 491 CA ILE A 37 0.148 -8.352 0.706 1.00 0.00 C ATOM 492 C ILE A 37 1.163 -9.448 1.012 1.00 0.00 C ATOM 493 O ILE A 37 1.404 -9.776 2.173 1.00 0.00 O ATOM 494 CB ILE A 37 0.792 -6.980 0.978 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.159 -5.855 0.564 1.00 0.00 C ATOM 496 CG2 ILE A 37 2.116 -6.861 0.239 1.00 0.00 C ATOM 497 CD1 ILE A 37 0.300 -4.483 1.006 1.00 0.00 C ATOM 0 H ILE A 37 -1.047 -8.104 2.411 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.137 -8.408 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 37 0.986 -6.891 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.266 -5.861 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.146 -6.052 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.559 -5.886 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.794 -7.645 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.946 -6.967 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.422 -3.735 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.380 -4.459 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.273 -4.266 0.566 1.00 0.00 H new ATOM 509 N GLU A 38 1.756 -10.008 -0.038 1.00 0.00 N ATOM 510 CA GLU A 38 2.746 -11.066 0.120 1.00 0.00 C ATOM 511 C GLU A 38 4.067 -10.503 0.637 1.00 0.00 C ATOM 512 O GLU A 38 4.503 -9.430 0.220 1.00 0.00 O ATOM 513 CB GLU A 38 2.973 -11.786 -1.211 1.00 0.00 C ATOM 514 CG GLU A 38 1.914 -12.830 -1.526 1.00 0.00 C ATOM 515 CD GLU A 38 2.231 -14.183 -0.920 1.00 0.00 C ATOM 516 OE1 GLU A 38 1.970 -14.367 0.287 1.00 0.00 O ATOM 517 OE2 GLU A 38 2.741 -15.057 -1.652 1.00 0.00 O ATOM 0 H GLU A 38 1.568 -9.747 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 38 2.364 -11.779 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.995 -11.049 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.951 -12.267 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.949 -12.487 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.821 -12.933 -2.607 1.00 0.00 H new ATOM 524 N LYS A 39 4.698 -11.234 1.549 1.00 0.00 N ATOM 525 CA LYS A 39 5.969 -10.810 2.124 1.00 0.00 C ATOM 526 C LYS A 39 7.097 -10.937 1.105 1.00 0.00 C ATOM 527 O LYS A 39 7.238 -11.966 0.445 1.00 0.00 O ATOM 528 CB LYS A 39 6.294 -11.643 3.366 1.00 0.00 C ATOM 529 CG LYS A 39 7.520 -11.158 4.120 1.00 0.00 C ATOM 530 CD LYS A 39 8.190 -12.290 4.881 1.00 0.00 C ATOM 531 CE LYS A 39 9.337 -11.781 5.742 1.00 0.00 C ATOM 532 NZ LYS A 39 10.345 -12.844 6.007 1.00 0.00 N ATOM 0 H LYS A 39 4.350 -12.124 1.906 1.00 0.00 H new ATOM 0 HA LYS A 39 5.878 -9.762 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.436 -11.629 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.448 -12.680 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.230 -10.720 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.232 -10.370 4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.455 -12.791 5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.564 -13.032 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.819 -10.939 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.944 -11.409 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.110 -12.458 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.891 -13.637 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.739 -13.181 5.106 1.00 0.00 H new ATOM 546 N GLY A 40 7.900 -9.884 0.983 1.00 0.00 N ATOM 547 CA GLY A 40 9.006 -9.900 0.043 1.00 0.00 C ATOM 548 C GLY A 40 8.670 -9.201 -1.260 1.00 0.00 C ATOM 549 O GLY A 40 9.512 -8.515 -1.838 1.00 0.00 O ATOM 0 H GLY A 40 7.804 -9.021 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.872 -9.418 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.288 -10.932 -0.164 1.00 0.00 H new ATOM 553 N GLN A 41 7.436 -9.377 -1.722 1.00 0.00 N ATOM 554 CA GLN A 41 6.992 -8.760 -2.967 1.00 0.00 C ATOM 555 C GLN A 41 7.083 -7.240 -2.883 1.00 0.00 C ATOM 556 O GLN A 41 6.853 -6.651 -1.826 1.00 0.00 O ATOM 557 CB GLN A 41 5.556 -9.180 -3.285 1.00 0.00 C ATOM 558 CG GLN A 41 5.437 -10.615 -3.772 1.00 0.00 C ATOM 559 CD GLN A 41 5.771 -10.763 -5.243 1.00 0.00 C ATOM 560 OE1 GLN A 41 4.944 -10.484 -6.111 1.00 0.00 O ATOM 561 NE2 GLN A 41 6.990 -11.203 -5.532 1.00 0.00 N ATOM 0 H GLN A 41 6.727 -9.941 -1.254 1.00 0.00 H new ATOM 0 HA GLN A 41 7.648 -9.102 -3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.944 -9.056 -2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.150 -8.512 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.103 -11.249 -3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.422 -10.971 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.644 -11.423 -4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.272 -11.321 -6.505 1.00 0.00 H new ATOM 570 N VAL A 42 7.420 -6.609 -4.003 1.00 0.00 N ATOM 571 CA VAL A 42 7.540 -5.157 -4.057 1.00 0.00 C ATOM 572 C VAL A 42 6.242 -4.482 -3.630 1.00 0.00 C ATOM 573 O VAL A 42 5.151 -4.940 -3.970 1.00 0.00 O ATOM 574 CB VAL A 42 7.915 -4.677 -5.471 1.00 0.00 C ATOM 575 CG1 VAL A 42 7.994 -3.158 -5.516 1.00 0.00 C ATOM 576 CG2 VAL A 42 9.230 -5.300 -5.914 1.00 0.00 C ATOM 0 H VAL A 42 7.615 -7.081 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 42 8.335 -4.879 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 42 7.136 -4.998 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.260 -2.837 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.027 -2.735 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.752 -2.812 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.479 -4.950 -6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.021 -5.012 -5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.133 -6.386 -5.923 1.00 0.00 H new ATOM 586 N ARG A 43 6.367 -3.390 -2.883 1.00 0.00 N ATOM 587 CA ARG A 43 5.203 -2.651 -2.409 1.00 0.00 C ATOM 588 C ARG A 43 5.431 -1.147 -2.521 1.00 0.00 C ATOM 589 O ARG A 43 6.554 -0.693 -2.747 1.00 0.00 O ATOM 590 CB ARG A 43 4.892 -3.024 -0.958 1.00 0.00 C ATOM 591 CG ARG A 43 6.039 -2.750 0.000 1.00 0.00 C ATOM 592 CD ARG A 43 5.692 -3.173 1.419 1.00 0.00 C ATOM 593 NE ARG A 43 6.743 -2.816 2.369 1.00 0.00 N ATOM 594 CZ ARG A 43 6.539 -2.683 3.675 1.00 0.00 C ATOM 595 NH1 ARG A 43 5.330 -2.876 4.183 1.00 0.00 N ATOM 596 NH2 ARG A 43 7.546 -2.356 4.475 1.00 0.00 N ATOM 0 H ARG A 43 7.263 -2.997 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 43 4.353 -2.920 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.014 -2.468 -0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.635 -4.082 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.929 -3.285 -0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.281 -1.687 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.756 -2.701 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.529 -4.250 1.447 1.00 0.00 H new ATOM 0 HE ARG A 43 7.685 -2.660 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.554 -3.127 3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.176 -2.773 5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.478 -2.207 4.087 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.388 -2.254 5.478 1.00 0.00 H new ATOM 610 N LEU A 44 4.360 -0.377 -2.361 1.00 0.00 N ATOM 611 CA LEU A 44 4.443 1.077 -2.444 1.00 0.00 C ATOM 612 C LEU A 44 3.461 1.734 -1.479 1.00 0.00 C ATOM 613 O LEU A 44 2.246 1.629 -1.646 1.00 0.00 O ATOM 614 CB LEU A 44 4.159 1.542 -3.874 1.00 0.00 C ATOM 615 CG LEU A 44 5.014 0.904 -4.969 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.234 0.817 -6.272 1.00 0.00 C ATOM 617 CD2 LEU A 44 6.301 1.690 -5.168 1.00 0.00 C ATOM 0 H LEU A 44 3.424 -0.736 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 44 5.453 1.376 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.111 1.344 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.296 2.623 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 44 5.275 -0.107 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.858 0.360 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.341 0.210 -6.122 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.943 1.818 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.896 1.221 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.061 2.713 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.869 1.700 -4.238 1.00 0.00 H new ATOM 629 N SER A 45 3.997 2.414 -0.471 1.00 0.00 N ATOM 630 CA SER A 45 3.169 3.088 0.522 1.00 0.00 C ATOM 631 C SER A 45 3.027 4.572 0.195 1.00 0.00 C ATOM 632 O SER A 45 3.912 5.173 -0.415 1.00 0.00 O ATOM 633 CB SER A 45 3.770 2.917 1.919 1.00 0.00 C ATOM 634 OG SER A 45 4.883 3.775 2.104 1.00 0.00 O ATOM 0 H SER A 45 5.001 2.513 -0.320 1.00 0.00 H new ATOM 0 HA SER A 45 2.179 2.633 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.012 3.131 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.078 1.881 2.062 1.00 0.00 H new ATOM 0 HG SER A 45 5.248 3.648 3.005 1.00 0.00 H new ATOM 640 N LYS A 46 1.907 5.157 0.605 1.00 0.00 N ATOM 641 CA LYS A 46 1.647 6.570 0.359 1.00 0.00 C ATOM 642 C LYS A 46 1.319 7.298 1.658 1.00 0.00 C ATOM 643 O LYS A 46 0.550 6.802 2.482 1.00 0.00 O ATOM 644 CB LYS A 46 0.494 6.732 -0.634 1.00 0.00 C ATOM 645 CG LYS A 46 0.038 8.170 -0.807 1.00 0.00 C ATOM 646 CD LYS A 46 -0.758 8.353 -2.088 1.00 0.00 C ATOM 647 CE LYS A 46 -1.490 9.686 -2.105 1.00 0.00 C ATOM 648 NZ LYS A 46 -0.601 10.802 -2.532 1.00 0.00 N ATOM 0 H LYS A 46 1.164 4.674 1.110 1.00 0.00 H new ATOM 0 HA LYS A 46 2.549 7.011 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.802 6.338 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.350 6.130 -0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.572 8.464 0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.906 8.829 -0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.088 8.294 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.477 7.541 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.343 9.623 -2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.885 9.896 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.137 11.693 -2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.200 10.879 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.244 10.614 -3.491 1.00 0.00 H new ATOM 662 N LYS A 47 1.905 8.477 1.835 1.00 0.00 N ATOM 663 CA LYS A 47 1.673 9.276 3.033 1.00 0.00 C ATOM 664 C LYS A 47 0.709 10.422 2.745 1.00 0.00 C ATOM 665 O LYS A 47 1.045 11.362 2.026 1.00 0.00 O ATOM 666 CB LYS A 47 2.996 9.830 3.566 1.00 0.00 C ATOM 667 CG LYS A 47 2.874 10.494 4.926 1.00 0.00 C ATOM 668 CD LYS A 47 4.193 10.468 5.680 1.00 0.00 C ATOM 669 CE LYS A 47 4.004 10.821 7.147 1.00 0.00 C ATOM 670 NZ LYS A 47 5.206 11.491 7.716 1.00 0.00 N ATOM 0 H LYS A 47 2.545 8.901 1.163 1.00 0.00 H new ATOM 0 HA LYS A 47 1.226 8.630 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.720 9.018 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.391 10.553 2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.546 11.526 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.109 9.986 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.641 9.478 5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.889 11.171 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.139 11.475 7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.791 9.915 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.037 11.715 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.027 10.857 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.395 12.369 7.192 1.00 0.00 H new ATOM 684 N MET A 48 -0.491 10.337 3.311 1.00 0.00 N ATOM 685 CA MET A 48 -1.502 11.369 3.117 1.00 0.00 C ATOM 686 C MET A 48 -2.493 11.385 4.276 1.00 0.00 C ATOM 687 O MET A 48 -2.504 10.478 5.109 1.00 0.00 O ATOM 688 CB MET A 48 -2.245 11.143 1.798 1.00 0.00 C ATOM 689 CG MET A 48 -3.124 9.903 1.801 1.00 0.00 C ATOM 690 SD MET A 48 -4.289 9.874 0.426 1.00 0.00 S ATOM 691 CE MET A 48 -5.847 10.019 1.298 1.00 0.00 C ATOM 0 H MET A 48 -0.786 9.564 3.907 1.00 0.00 H new ATOM 0 HA MET A 48 -0.997 12.335 3.081 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.862 12.016 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.518 11.061 0.990 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.493 9.015 1.756 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.675 9.855 2.740 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.624 9.493 0.744 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.750 9.581 2.291 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.116 11.071 1.390 1.00 0.00 H new ATOM 701 N VAL A 49 -3.324 12.421 4.325 1.00 0.00 N ATOM 702 CA VAL A 49 -4.319 12.555 5.382 1.00 0.00 C ATOM 703 C VAL A 49 -5.694 12.103 4.902 1.00 0.00 C ATOM 704 O VAL A 49 -6.021 12.221 3.721 1.00 0.00 O ATOM 705 CB VAL A 49 -4.414 14.008 5.884 1.00 0.00 C ATOM 706 CG1 VAL A 49 -5.577 14.164 6.852 1.00 0.00 C ATOM 707 CG2 VAL A 49 -3.107 14.433 6.535 1.00 0.00 C ATOM 0 H VAL A 49 -3.328 13.181 3.644 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.996 11.916 6.204 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.595 14.658 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.628 15.197 7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.507 13.903 6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.430 13.504 7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.192 15.462 6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.892 13.780 7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.298 14.362 5.808 1.00 0.00 H new ATOM 717 N ASP A 50 -6.497 11.587 5.826 1.00 0.00 N ATOM 718 CA ASP A 50 -7.838 11.119 5.499 1.00 0.00 C ATOM 719 C ASP A 50 -8.879 12.189 5.812 1.00 0.00 C ATOM 720 O ASP A 50 -8.984 12.677 6.938 1.00 0.00 O ATOM 721 CB ASP A 50 -8.158 9.838 6.271 1.00 0.00 C ATOM 722 CG ASP A 50 -9.293 9.052 5.645 1.00 0.00 C ATOM 723 OD1 ASP A 50 -9.243 8.810 4.421 1.00 0.00 O ATOM 724 OD2 ASP A 50 -10.231 8.678 6.380 1.00 0.00 O ATOM 0 H ASP A 50 -6.242 11.482 6.808 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.870 10.907 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.267 9.212 6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.419 10.092 7.298 1.00 0.00 H new ATOM 729 N PRO A 51 -9.667 12.565 4.794 1.00 0.00 N ATOM 730 CA PRO A 51 -10.713 13.582 4.936 1.00 0.00 C ATOM 731 C PRO A 51 -11.880 13.098 5.789 1.00 0.00 C ATOM 732 O PRO A 51 -12.682 13.897 6.270 1.00 0.00 O ATOM 733 CB PRO A 51 -11.168 13.827 3.495 1.00 0.00 C ATOM 734 CG PRO A 51 -10.842 12.563 2.775 1.00 0.00 C ATOM 735 CD PRO A 51 -9.597 12.026 3.425 1.00 0.00 C ATOM 0 HA PRO A 51 -10.346 14.477 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.235 14.045 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.649 14.678 3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.661 11.848 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.679 12.749 1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.581 10.936 3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.698 12.359 2.907 1.00 0.00 H new ATOM 743 N GLU A 52 -11.969 11.784 5.971 1.00 0.00 N ATOM 744 CA GLU A 52 -13.040 11.194 6.766 1.00 0.00 C ATOM 745 C GLU A 52 -12.706 11.249 8.254 1.00 0.00 C ATOM 746 O GLU A 52 -13.547 11.608 9.078 1.00 0.00 O ATOM 747 CB GLU A 52 -13.283 9.745 6.340 1.00 0.00 C ATOM 748 CG GLU A 52 -14.155 9.613 5.102 1.00 0.00 C ATOM 749 CD GLU A 52 -15.600 9.989 5.364 1.00 0.00 C ATOM 750 OE1 GLU A 52 -16.236 9.338 6.221 1.00 0.00 O ATOM 751 OE2 GLU A 52 -16.096 10.932 4.713 1.00 0.00 O ATOM 0 H GLU A 52 -11.313 11.108 5.579 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.947 11.773 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.323 9.265 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.752 9.207 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.756 10.248 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.111 8.586 4.739 1.00 0.00 H new ATOM 758 N LYS A 53 -11.472 10.889 8.591 1.00 0.00 N ATOM 759 CA LYS A 53 -11.024 10.897 9.979 1.00 0.00 C ATOM 760 C LYS A 53 -9.769 11.749 10.141 1.00 0.00 C ATOM 761 O LYS A 53 -8.646 11.246 10.157 1.00 0.00 O ATOM 762 CB LYS A 53 -10.749 9.469 10.455 1.00 0.00 C ATOM 763 CG LYS A 53 -11.985 8.749 10.965 1.00 0.00 C ATOM 764 CD LYS A 53 -11.735 7.259 11.129 1.00 0.00 C ATOM 765 CE LYS A 53 -11.195 6.933 12.513 1.00 0.00 C ATOM 766 NZ LYS A 53 -11.095 5.465 12.738 1.00 0.00 N ATOM 0 H LYS A 53 -10.764 10.588 7.921 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.817 11.331 10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.319 8.897 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.002 9.497 11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.287 9.176 11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.811 8.906 10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.663 6.713 10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.026 6.923 10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.212 7.387 12.635 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.845 7.373 13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.723 5.285 13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.037 5.035 12.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.455 5.048 12.032 1.00 0.00 H new ATOM 780 N PRO A 54 -9.962 13.071 10.265 1.00 0.00 N ATOM 781 CA PRO A 54 -8.857 14.020 10.430 1.00 0.00 C ATOM 782 C PRO A 54 -8.181 13.891 11.791 1.00 0.00 C ATOM 783 O PRO A 54 -7.119 14.467 12.022 1.00 0.00 O ATOM 784 CB PRO A 54 -9.539 15.384 10.299 1.00 0.00 C ATOM 785 CG PRO A 54 -10.954 15.141 10.698 1.00 0.00 C ATOM 786 CD PRO A 54 -11.274 13.740 10.255 1.00 0.00 C ATOM 0 HA PRO A 54 -8.064 13.853 9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.068 16.126 10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.475 15.762 9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.080 15.248 11.775 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.622 15.862 10.226 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.977 13.255 10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.725 13.725 9.263 1.00 0.00 H new ATOM 794 N GLN A 55 -8.804 13.133 12.687 1.00 0.00 N ATOM 795 CA GLN A 55 -8.262 12.930 14.025 1.00 0.00 C ATOM 796 C GLN A 55 -6.903 12.240 13.962 1.00 0.00 C ATOM 797 O GLN A 55 -5.969 12.618 14.671 1.00 0.00 O ATOM 798 CB GLN A 55 -9.230 12.100 14.870 1.00 0.00 C ATOM 799 CG GLN A 55 -9.502 10.717 14.302 1.00 0.00 C ATOM 800 CD GLN A 55 -10.349 9.863 15.225 1.00 0.00 C ATOM 801 OE1 GLN A 55 -11.400 9.356 14.830 1.00 0.00 O ATOM 802 NE2 GLN A 55 -9.896 9.699 16.462 1.00 0.00 N ATOM 0 H GLN A 55 -9.685 12.649 12.511 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.132 13.907 14.490 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.824 11.997 15.876 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.173 12.638 14.961 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.006 10.816 13.341 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.554 10.213 14.115 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.020 10.137 16.747 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.424 9.135 17.128 1.00 0.00 H new ATOM 811 N LEU A 56 -6.799 11.226 13.110 1.00 0.00 N ATOM 812 CA LEU A 56 -5.553 10.482 12.955 1.00 0.00 C ATOM 813 C LEU A 56 -4.440 11.387 12.437 1.00 0.00 C ATOM 814 O LEU A 56 -3.308 11.333 12.917 1.00 0.00 O ATOM 815 CB LEU A 56 -5.755 9.304 12.000 1.00 0.00 C ATOM 816 CG LEU A 56 -6.711 8.210 12.477 1.00 0.00 C ATOM 817 CD1 LEU A 56 -7.171 7.356 11.305 1.00 0.00 C ATOM 818 CD2 LEU A 56 -6.046 7.347 13.539 1.00 0.00 C ATOM 0 H LEU A 56 -7.562 10.900 12.516 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.261 10.102 13.934 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.123 9.691 11.050 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.784 8.850 11.804 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.586 8.686 12.920 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.851 6.583 11.663 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.686 7.983 10.578 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.306 6.889 10.833 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.741 6.574 13.867 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.154 6.880 13.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.766 7.968 14.390 1.00 0.00 H new ATOM 830 N GLY A 57 -4.770 12.220 11.454 1.00 0.00 N ATOM 831 CA GLY A 57 -3.787 13.126 10.889 1.00 0.00 C ATOM 832 C GLY A 57 -3.124 12.561 9.648 1.00 0.00 C ATOM 833 O GLY A 57 -3.757 12.439 8.599 1.00 0.00 O ATOM 0 H GLY A 57 -5.700 12.283 11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.269 14.072 10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.025 13.343 11.637 1.00 0.00 H new ATOM 837 N MET A 58 -1.846 12.217 9.766 1.00 0.00 N ATOM 838 CA MET A 58 -1.097 11.663 8.644 1.00 0.00 C ATOM 839 C MET A 58 -1.063 10.139 8.713 1.00 0.00 C ATOM 840 O MET A 58 -0.544 9.564 9.670 1.00 0.00 O ATOM 841 CB MET A 58 0.329 12.217 8.632 1.00 0.00 C ATOM 842 CG MET A 58 0.428 13.628 8.077 1.00 0.00 C ATOM 843 SD MET A 58 1.026 13.665 6.376 1.00 0.00 S ATOM 844 CE MET A 58 0.044 12.359 5.643 1.00 0.00 C ATOM 0 H MET A 58 -1.307 12.312 10.627 1.00 0.00 H new ATOM 0 HA MET A 58 -1.600 11.956 7.723 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.723 12.207 9.648 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.962 11.557 8.039 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.552 14.102 8.124 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.097 14.216 8.706 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.208 12.342 4.566 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.337 11.400 6.070 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.012 12.539 5.847 1.00 0.00 H new ATOM 854 N ILE A 59 -1.619 9.493 7.694 1.00 0.00 N ATOM 855 CA ILE A 59 -1.650 8.036 7.640 1.00 0.00 C ATOM 856 C ILE A 59 -0.757 7.508 6.523 1.00 0.00 C ATOM 857 O ILE A 59 -0.268 8.273 5.692 1.00 0.00 O ATOM 858 CB ILE A 59 -3.083 7.512 7.428 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.695 8.132 6.170 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.943 7.812 8.646 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.861 7.345 5.614 1.00 0.00 C ATOM 0 H ILE A 59 -2.054 9.955 6.895 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.278 7.676 8.599 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.043 6.431 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.027 9.145 6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.924 8.214 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.952 7.435 8.480 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.514 7.327 9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.980 8.889 8.809 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.244 7.843 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.530 6.340 5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.650 7.285 6.364 1.00 0.00 H new ATOM 873 N ASP A 60 -0.549 6.196 6.510 1.00 0.00 N ATOM 874 CA ASP A 60 0.283 5.564 5.493 1.00 0.00 C ATOM 875 C ASP A 60 -0.308 4.226 5.061 1.00 0.00 C ATOM 876 O ASP A 60 -0.351 3.275 5.840 1.00 0.00 O ATOM 877 CB ASP A 60 1.704 5.361 6.021 1.00 0.00 C ATOM 878 CG ASP A 60 2.349 6.660 6.464 1.00 0.00 C ATOM 879 OD1 ASP A 60 2.925 7.360 5.605 1.00 0.00 O ATOM 880 OD2 ASP A 60 2.276 6.976 7.670 1.00 0.00 O ATOM 0 H ASP A 60 -0.945 5.549 7.192 1.00 0.00 H new ATOM 0 HA ASP A 60 0.316 6.223 4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.681 4.666 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.315 4.902 5.244 1.00 0.00 H new ATOM 885 N ARG A 61 -0.764 4.162 3.814 1.00 0.00 N ATOM 886 CA ARG A 61 -1.356 2.941 3.279 1.00 0.00 C ATOM 887 C ARG A 61 -0.373 2.218 2.362 1.00 0.00 C ATOM 888 O ARG A 61 0.756 2.667 2.169 1.00 0.00 O ATOM 889 CB ARG A 61 -2.640 3.265 2.514 1.00 0.00 C ATOM 890 CG ARG A 61 -3.891 3.215 3.375 1.00 0.00 C ATOM 891 CD ARG A 61 -3.889 4.316 4.424 1.00 0.00 C ATOM 892 NE ARG A 61 -4.809 4.029 5.521 1.00 0.00 N ATOM 893 CZ ARG A 61 -4.491 3.278 6.570 1.00 0.00 C ATOM 894 NH1 ARG A 61 -3.282 2.741 6.663 1.00 0.00 N ATOM 895 NH2 ARG A 61 -5.384 3.062 7.528 1.00 0.00 N ATOM 0 H ARG A 61 -0.735 4.941 3.156 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.596 2.285 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.551 4.259 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.749 2.561 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.773 3.315 2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.958 2.244 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.881 4.438 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.165 5.262 3.957 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.747 4.427 5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.594 2.904 5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.040 2.165 7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.315 3.473 7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.139 2.485 8.333 1.00 0.00 H new ATOM 909 N TRP A 62 -0.812 1.097 1.802 1.00 0.00 N ATOM 910 CA TRP A 62 0.029 0.310 0.906 1.00 0.00 C ATOM 911 C TRP A 62 -0.773 -0.199 -0.286 1.00 0.00 C ATOM 912 O TRP A 62 -1.969 -0.471 -0.171 1.00 0.00 O ATOM 913 CB TRP A 62 0.651 -0.867 1.659 1.00 0.00 C ATOM 914 CG TRP A 62 1.446 -0.451 2.860 1.00 0.00 C ATOM 915 CD1 TRP A 62 0.958 -0.136 4.096 1.00 0.00 C ATOM 916 CD2 TRP A 62 2.868 -0.303 2.937 1.00 0.00 C ATOM 917 NE1 TRP A 62 1.992 0.199 4.938 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.173 0.104 4.251 1.00 0.00 C ATOM 919 CE3 TRP A 62 3.912 -0.476 2.025 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.479 0.340 4.671 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.208 -0.241 2.445 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.483 0.163 3.758 1.00 0.00 C ATOM 0 H TRP A 62 -1.745 0.712 1.952 1.00 0.00 H new ATOM 0 HA TRP A 62 0.825 0.956 0.535 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.141 -1.547 1.974 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.297 -1.423 0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.086 -0.148 4.371 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.895 0.474 5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.710 -0.788 1.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 4.693 0.652 5.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 6.023 -0.371 1.748 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.506 0.338 4.055 1.00 0.00 H new ATOM 933 N TYR A 63 -0.109 -0.328 -1.429 1.00 0.00 N ATOM 934 CA TYR A 63 -0.762 -0.804 -2.643 1.00 0.00 C ATOM 935 C TYR A 63 0.236 -1.509 -3.557 1.00 0.00 C ATOM 936 O TYR A 63 1.327 -1.000 -3.816 1.00 0.00 O ATOM 937 CB TYR A 63 -1.415 0.363 -3.386 1.00 0.00 C ATOM 938 CG TYR A 63 -2.290 1.227 -2.507 1.00 0.00 C ATOM 939 CD1 TYR A 63 -1.731 2.145 -1.626 1.00 0.00 C ATOM 940 CD2 TYR A 63 -3.674 1.126 -2.556 1.00 0.00 C ATOM 941 CE1 TYR A 63 -2.526 2.937 -0.820 1.00 0.00 C ATOM 942 CE2 TYR A 63 -4.477 1.914 -1.755 1.00 0.00 C ATOM 943 CZ TYR A 63 -3.899 2.818 -0.888 1.00 0.00 C ATOM 944 OH TYR A 63 -4.695 3.604 -0.088 1.00 0.00 O ATOM 0 H TYR A 63 0.881 -0.110 -1.541 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.532 -1.520 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.635 0.983 -3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.015 -0.030 -4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.657 2.241 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.131 0.419 -3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.075 3.645 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.552 1.823 -1.807 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.637 3.397 -0.260 1.00 0.00 H new ATOM 954 N HIS A 64 -0.148 -2.685 -4.044 1.00 0.00 N ATOM 955 CA HIS A 64 0.711 -3.462 -4.931 1.00 0.00 C ATOM 956 C HIS A 64 1.053 -2.668 -6.188 1.00 0.00 C ATOM 957 O HIS A 64 0.297 -1.804 -6.632 1.00 0.00 O ATOM 958 CB HIS A 64 0.030 -4.776 -5.313 1.00 0.00 C ATOM 959 CG HIS A 64 -0.594 -5.487 -4.152 1.00 0.00 C ATOM 960 ND1 HIS A 64 -1.865 -5.211 -3.695 1.00 0.00 N ATOM 961 CD2 HIS A 64 -0.114 -6.471 -3.355 1.00 0.00 C ATOM 962 CE1 HIS A 64 -2.140 -5.993 -2.666 1.00 0.00 C ATOM 963 NE2 HIS A 64 -1.093 -6.767 -2.439 1.00 0.00 N ATOM 0 H HIS A 64 -1.047 -3.120 -3.840 1.00 0.00 H new ATOM 0 HA HIS A 64 1.636 -3.683 -4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.738 -4.574 -6.060 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.763 -5.434 -5.780 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.495 -4.512 -4.090 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.858 -6.936 -3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.063 -5.999 -2.106 1.00 0.00 H new ATOM 971 N PRO A 65 2.221 -2.966 -6.777 1.00 0.00 N ATOM 972 CA PRO A 65 2.690 -2.291 -7.991 1.00 0.00 C ATOM 973 C PRO A 65 1.613 -2.219 -9.068 1.00 0.00 C ATOM 974 O PRO A 65 1.469 -1.205 -9.748 1.00 0.00 O ATOM 975 CB PRO A 65 3.855 -3.169 -8.457 1.00 0.00 C ATOM 976 CG PRO A 65 4.350 -3.831 -7.218 1.00 0.00 C ATOM 977 CD PRO A 65 3.174 -3.984 -6.303 1.00 0.00 C ATOM 0 HA PRO A 65 2.969 -1.255 -7.799 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.528 -3.902 -9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.637 -2.572 -8.927 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.788 -4.802 -7.448 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.130 -3.233 -6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.750 -4.986 -6.362 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.453 -3.816 -5.263 1.00 0.00 H new ATOM 985 N GLY A 66 0.857 -3.303 -9.216 1.00 0.00 N ATOM 986 CA GLY A 66 -0.198 -3.342 -10.211 1.00 0.00 C ATOM 987 C GLY A 66 -1.321 -2.371 -9.904 1.00 0.00 C ATOM 988 O GLY A 66 -1.887 -1.758 -10.809 1.00 0.00 O ATOM 0 H GLY A 66 0.957 -4.155 -8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.221 -3.110 -11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.602 -4.353 -10.269 1.00 0.00 H new ATOM 992 N CYS A 67 -1.646 -2.232 -8.623 1.00 0.00 N ATOM 993 CA CYS A 67 -2.710 -1.331 -8.197 1.00 0.00 C ATOM 994 C CYS A 67 -2.269 0.125 -8.312 1.00 0.00 C ATOM 995 O CYS A 67 -3.043 0.989 -8.725 1.00 0.00 O ATOM 996 CB CYS A 67 -3.121 -1.639 -6.756 1.00 0.00 C ATOM 997 SG CYS A 67 -3.525 -3.390 -6.455 1.00 0.00 S ATOM 0 H CYS A 67 -1.187 -2.732 -7.862 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.567 -1.485 -8.853 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.312 -1.344 -6.088 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.986 -1.028 -6.498 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.833 -3.555 -5.203 1.00 0.00 H new ATOM 1002 N PHE A 68 -1.020 0.389 -7.944 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.475 1.741 -8.005 1.00 0.00 C ATOM 1004 C PHE A 68 -0.593 2.312 -9.415 1.00 0.00 C ATOM 1005 O PHE A 68 -0.952 3.475 -9.598 1.00 0.00 O ATOM 1006 CB PHE A 68 0.990 1.743 -7.563 1.00 0.00 C ATOM 1007 CG PHE A 68 1.499 3.103 -7.180 1.00 0.00 C ATOM 1008 CD1 PHE A 68 0.946 3.787 -6.109 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.530 3.697 -7.889 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.411 5.040 -5.755 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.000 4.949 -7.539 1.00 0.00 C ATOM 1012 CZ PHE A 68 2.440 5.621 -6.470 1.00 0.00 C ATOM 0 H PHE A 68 -0.366 -0.314 -7.601 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.053 2.370 -7.328 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.106 1.068 -6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.606 1.348 -8.371 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.143 3.336 -5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.972 3.176 -8.725 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.970 5.564 -4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.804 5.401 -8.101 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.806 6.599 -6.194 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.288 1.484 -10.410 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.360 1.906 -11.804 1.00 0.00 C ATOM 1024 C VAL A 69 -1.795 2.225 -12.208 1.00 0.00 C ATOM 1025 O VAL A 69 -2.044 3.155 -12.975 1.00 0.00 O ATOM 1026 CB VAL A 69 0.198 0.823 -12.747 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.079 1.265 -14.197 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.643 0.505 -12.395 1.00 0.00 C ATOM 0 H VAL A 69 0.011 0.518 -10.276 1.00 0.00 H new ATOM 0 HA VAL A 69 0.249 2.806 -11.895 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.392 -0.085 -12.620 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.478 0.487 -14.848 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.969 1.439 -14.440 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.643 2.186 -14.344 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.022 -0.262 -13.071 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.248 1.406 -12.493 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.696 0.142 -11.368 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.738 1.448 -11.685 1.00 0.00 N ATOM 1039 CA LYS A 70 -4.150 1.648 -11.989 1.00 0.00 C ATOM 1040 C LYS A 70 -4.680 2.907 -11.310 1.00 0.00 C ATOM 1041 O LYS A 70 -5.355 3.723 -11.936 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.966 0.432 -11.542 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.906 -0.732 -12.515 1.00 0.00 C ATOM 1044 CD LYS A 70 -6.091 -1.667 -12.341 1.00 0.00 C ATOM 1045 CE LYS A 70 -5.909 -2.952 -13.132 1.00 0.00 C ATOM 1046 NZ LYS A 70 -4.882 -3.840 -12.519 1.00 0.00 N ATOM 0 H LYS A 70 -2.550 0.674 -11.048 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.250 1.769 -13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.604 0.100 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.006 0.731 -11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.888 -0.353 -13.537 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.979 -1.286 -12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.217 -1.904 -11.284 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.002 -1.165 -12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.860 -3.482 -13.188 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.617 -2.711 -14.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.917 -4.776 -12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.938 -3.425 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.072 -3.940 -11.502 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.368 3.057 -10.027 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.812 4.218 -9.264 1.00 0.00 C ATOM 1062 C ASN A 71 -3.699 5.255 -9.153 1.00 0.00 C ATOM 1063 O ASN A 71 -3.594 5.964 -8.152 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.269 3.792 -7.867 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.578 3.027 -7.895 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -7.516 3.407 -8.596 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -6.648 1.945 -7.129 1.00 0.00 N ATOM 0 H ASN A 71 -3.810 2.390 -9.494 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.652 4.669 -9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.499 3.172 -7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.381 4.676 -7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.504 1.391 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.845 1.667 -6.564 1.00 0.00 H new ATOM 1074 N ARG A 72 -2.869 5.337 -10.188 1.00 0.00 N ATOM 1075 CA ARG A 72 -1.763 6.286 -10.206 1.00 0.00 C ATOM 1076 C ARG A 72 -2.274 7.714 -10.378 1.00 0.00 C ATOM 1077 O ARG A 72 -1.835 8.628 -9.682 1.00 0.00 O ATOM 1078 CB ARG A 72 -0.787 5.943 -11.334 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.308 6.295 -12.718 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.403 5.746 -13.809 1.00 0.00 C ATOM 1081 NE ARG A 72 -0.850 6.143 -15.142 1.00 0.00 N ATOM 1082 CZ ARG A 72 -0.595 5.443 -16.242 1.00 0.00 C ATOM 1083 NH1 ARG A 72 0.100 4.316 -16.168 1.00 0.00 N ATOM 1084 NH2 ARG A 72 -1.036 5.869 -17.418 1.00 0.00 N ATOM 0 H ARG A 72 -2.942 4.758 -11.024 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.243 6.217 -9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.152 6.470 -11.164 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.565 4.876 -11.299 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.314 5.894 -12.842 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.382 7.378 -12.816 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.615 6.100 -13.648 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.376 4.658 -13.745 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.387 7.005 -15.233 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.440 3.985 -15.265 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.294 3.780 -17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.572 6.735 -17.479 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.840 5.331 -18.262 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.204 7.896 -11.311 1.00 0.00 N ATOM 1099 CA GLU A 73 -3.773 9.212 -11.575 1.00 0.00 C ATOM 1100 C GLU A 73 -4.627 9.681 -10.400 1.00 0.00 C ATOM 1101 O GLU A 73 -4.514 10.822 -9.955 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.616 9.181 -12.852 1.00 0.00 C ATOM 1103 CG GLU A 73 -3.861 8.669 -14.067 1.00 0.00 C ATOM 1104 CD GLU A 73 -4.769 8.417 -15.254 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -5.990 8.259 -15.044 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -4.260 8.377 -16.394 1.00 0.00 O ATOM 0 H GLU A 73 -3.579 7.149 -11.896 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.951 9.915 -11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.490 8.551 -12.685 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.983 10.186 -13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.096 9.393 -14.347 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.345 7.745 -13.807 1.00 0.00 H new ATOM 1113 N GLU A 74 -5.481 8.790 -9.904 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.354 9.114 -8.783 1.00 0.00 C ATOM 1115 C GLU A 74 -5.540 9.437 -7.533 1.00 0.00 C ATOM 1116 O GLU A 74 -5.808 10.419 -6.840 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.306 7.950 -8.497 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.160 8.153 -7.257 1.00 0.00 C ATOM 1119 CD GLU A 74 -8.986 6.929 -6.911 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -9.811 6.512 -7.750 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -8.806 6.388 -5.799 1.00 0.00 O ATOM 0 H GLU A 74 -5.586 7.840 -10.261 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.937 9.995 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.959 7.806 -9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.724 7.036 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.516 8.402 -6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.824 9.003 -7.413 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.544 8.604 -7.252 1.00 0.00 N ATOM 1129 CA LEU A 75 -3.689 8.799 -6.086 1.00 0.00 C ATOM 1130 C LEU A 75 -2.979 10.148 -6.151 1.00 0.00 C ATOM 1131 O LEU A 75 -2.777 10.804 -5.131 1.00 0.00 O ATOM 1132 CB LEU A 75 -2.659 7.672 -5.990 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.113 6.410 -5.256 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.060 5.318 -5.371 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -3.406 6.718 -3.795 1.00 0.00 C ATOM 0 H LEU A 75 -4.308 7.787 -7.816 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.320 8.783 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.360 7.393 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.771 8.060 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.031 6.053 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.400 4.427 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.899 5.077 -6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.125 5.666 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.728 5.808 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.505 7.100 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.196 7.467 -3.732 1.00 0.00 H new ATOM 1147 N GLY A 76 -2.606 10.557 -7.360 1.00 0.00 N ATOM 1148 CA GLY A 76 -1.925 11.826 -7.537 1.00 0.00 C ATOM 1149 C GLY A 76 -0.471 11.654 -7.932 1.00 0.00 C ATOM 1150 O GLY A 76 0.414 12.296 -7.366 1.00 0.00 O ATOM 0 H GLY A 76 -2.763 10.032 -8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.440 12.407 -8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.981 12.397 -6.611 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.224 10.785 -8.906 1.00 0.00 N ATOM 1155 CA PHE A 77 1.133 10.528 -9.374 1.00 0.00 C ATOM 1156 C PHE A 77 1.465 11.400 -10.582 1.00 0.00 C ATOM 1157 O PHE A 77 1.188 11.030 -11.723 1.00 0.00 O ATOM 1158 CB PHE A 77 1.300 9.051 -9.736 1.00 0.00 C ATOM 1159 CG PHE A 77 2.705 8.548 -9.570 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.325 8.579 -8.331 1.00 0.00 C ATOM 1161 CD2 PHE A 77 3.407 8.043 -10.653 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.618 8.118 -8.176 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.701 7.580 -10.504 1.00 0.00 C ATOM 1164 CZ PHE A 77 5.307 7.616 -9.263 1.00 0.00 C ATOM 0 H PHE A 77 -0.945 10.247 -9.387 1.00 0.00 H new ATOM 0 HA PHE A 77 1.822 10.777 -8.567 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.633 8.455 -9.113 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.989 8.901 -10.770 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.791 8.968 -7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.937 8.011 -11.625 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.090 8.150 -7.205 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.238 7.191 -11.357 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.317 7.253 -9.143 1.00 0.00 H new ATOM 1174 N ARG A 78 2.060 12.559 -10.322 1.00 0.00 N ATOM 1175 CA ARG A 78 2.429 13.485 -11.386 1.00 0.00 C ATOM 1176 C ARG A 78 3.222 12.771 -12.477 1.00 0.00 C ATOM 1177 O ARG A 78 3.877 11.756 -12.239 1.00 0.00 O ATOM 1178 CB ARG A 78 3.250 14.645 -10.820 1.00 0.00 C ATOM 1179 CG ARG A 78 2.454 15.567 -9.910 1.00 0.00 C ATOM 1180 CD ARG A 78 1.434 16.379 -10.694 1.00 0.00 C ATOM 1181 NE ARG A 78 0.836 17.436 -9.883 1.00 0.00 N ATOM 1182 CZ ARG A 78 -0.147 17.228 -9.014 1.00 0.00 C ATOM 1183 NH1 ARG A 78 -0.640 16.009 -8.844 1.00 0.00 N ATOM 1184 NH2 ARG A 78 -0.639 18.241 -8.312 1.00 0.00 N ATOM 0 H ARG A 78 2.297 12.880 -9.383 1.00 0.00 H new ATOM 0 HA ARG A 78 1.512 13.878 -11.825 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.097 14.243 -10.264 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.658 15.227 -11.646 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.944 14.977 -9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.134 16.241 -9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.915 16.820 -11.567 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.650 15.717 -11.063 1.00 0.00 H new ATOM 0 HE ARG A 78 1.193 18.386 -9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.264 15.228 -9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.395 15.853 -8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.262 19.180 -8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.394 18.080 -7.645 1.00 0.00 H new ATOM 1198 N PRO A 79 3.162 13.312 -13.703 1.00 0.00 N ATOM 1199 CA PRO A 79 3.869 12.744 -14.854 1.00 0.00 C ATOM 1200 C PRO A 79 5.381 12.911 -14.747 1.00 0.00 C ATOM 1201 O PRO A 79 6.122 12.524 -15.650 1.00 0.00 O ATOM 1202 CB PRO A 79 3.324 13.548 -16.037 1.00 0.00 C ATOM 1203 CG PRO A 79 2.886 14.843 -15.445 1.00 0.00 C ATOM 1204 CD PRO A 79 2.401 14.521 -14.058 1.00 0.00 C ATOM 0 HA PRO A 79 3.708 11.669 -14.941 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.089 13.699 -16.799 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.493 13.031 -16.518 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.709 15.557 -15.415 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.093 15.296 -16.040 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.598 15.338 -13.364 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.326 14.339 -14.040 1.00 0.00 H new ATOM 1212 N GLU A 80 5.830 13.491 -13.639 1.00 0.00 N ATOM 1213 CA GLU A 80 7.255 13.709 -13.415 1.00 0.00 C ATOM 1214 C GLU A 80 7.822 12.665 -12.458 1.00 0.00 C ATOM 1215 O GLU A 80 9.012 12.352 -12.498 1.00 0.00 O ATOM 1216 CB GLU A 80 7.497 15.113 -12.857 1.00 0.00 C ATOM 1217 CG GLU A 80 8.698 15.201 -11.931 1.00 0.00 C ATOM 1218 CD GLU A 80 9.349 16.571 -11.948 1.00 0.00 C ATOM 1219 OE1 GLU A 80 8.648 17.556 -12.263 1.00 0.00 O ATOM 1220 OE2 GLU A 80 10.558 16.658 -11.647 1.00 0.00 O ATOM 0 H GLU A 80 5.229 13.818 -12.883 1.00 0.00 H new ATOM 0 HA GLU A 80 7.766 13.613 -14.373 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.637 15.806 -13.687 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.608 15.438 -12.317 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.386 14.964 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.433 14.450 -12.222 1.00 0.00 H new ATOM 1227 N TYR A 81 6.962 12.129 -11.599 1.00 0.00 N ATOM 1228 CA TYR A 81 7.377 11.123 -10.629 1.00 0.00 C ATOM 1229 C TYR A 81 7.519 9.755 -11.291 1.00 0.00 C ATOM 1230 O TYR A 81 6.573 9.239 -11.886 1.00 0.00 O ATOM 1231 CB TYR A 81 6.368 11.044 -9.482 1.00 0.00 C ATOM 1232 CG TYR A 81 6.066 12.383 -8.849 1.00 0.00 C ATOM 1233 CD1 TYR A 81 7.066 13.331 -8.671 1.00 0.00 C ATOM 1234 CD2 TYR A 81 4.781 12.700 -8.427 1.00 0.00 C ATOM 1235 CE1 TYR A 81 6.794 14.556 -8.092 1.00 0.00 C ATOM 1236 CE2 TYR A 81 4.500 13.922 -7.848 1.00 0.00 C ATOM 1237 CZ TYR A 81 5.510 14.847 -7.683 1.00 0.00 C ATOM 1238 OH TYR A 81 5.234 16.065 -7.106 1.00 0.00 O ATOM 0 H TYR A 81 5.973 12.375 -11.555 1.00 0.00 H new ATOM 0 HA TYR A 81 8.348 11.417 -10.231 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.440 10.610 -9.855 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.752 10.368 -8.718 1.00 0.00 H new ATOM 0 HD1 TYR A 81 8.073 13.107 -8.991 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.988 11.978 -8.554 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.583 15.282 -7.961 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.495 14.152 -7.526 1.00 0.00 H new ATOM 0 HH TYR A 81 4.282 16.110 -6.876 1.00 0.00 H new ATOM 1248 N SER A 82 8.710 9.174 -11.182 1.00 0.00 N ATOM 1249 CA SER A 82 8.979 7.868 -11.772 1.00 0.00 C ATOM 1250 C SER A 82 9.596 6.924 -10.743 1.00 0.00 C ATOM 1251 O SER A 82 9.940 7.335 -9.636 1.00 0.00 O ATOM 1252 CB SER A 82 9.914 8.011 -12.974 1.00 0.00 C ATOM 1253 OG SER A 82 10.061 6.776 -13.655 1.00 0.00 O ATOM 0 H SER A 82 9.503 9.587 -10.691 1.00 0.00 H new ATOM 0 HA SER A 82 8.031 7.445 -12.106 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.520 8.763 -13.658 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.890 8.364 -12.640 1.00 0.00 H new ATOM 0 HG SER A 82 9.177 6.387 -13.822 1.00 0.00 H new ATOM 1259 N ALA A 83 9.732 5.657 -11.119 1.00 0.00 N ATOM 1260 CA ALA A 83 10.309 4.654 -10.232 1.00 0.00 C ATOM 1261 C ALA A 83 11.591 5.166 -9.586 1.00 0.00 C ATOM 1262 O ALA A 83 11.849 4.913 -8.409 1.00 0.00 O ATOM 1263 CB ALA A 83 10.578 3.366 -10.995 1.00 0.00 C ATOM 0 H ALA A 83 9.450 5.300 -12.032 1.00 0.00 H new ATOM 0 HA ALA A 83 9.590 4.449 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.009 2.626 -10.320 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.643 2.983 -11.404 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.276 3.564 -11.809 1.00 0.00 H new ATOM 1269 N SER A 84 12.393 5.888 -10.363 1.00 0.00 N ATOM 1270 CA SER A 84 13.652 6.431 -9.867 1.00 0.00 C ATOM 1271 C SER A 84 13.411 7.372 -8.690 1.00 0.00 C ATOM 1272 O SER A 84 14.231 7.462 -7.777 1.00 0.00 O ATOM 1273 CB SER A 84 14.387 7.173 -10.985 1.00 0.00 C ATOM 1274 OG SER A 84 13.805 8.443 -11.223 1.00 0.00 O ATOM 0 H SER A 84 12.193 6.110 -11.338 1.00 0.00 H new ATOM 0 HA SER A 84 14.269 5.600 -9.525 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.436 7.295 -10.716 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.359 6.580 -11.899 1.00 0.00 H new ATOM 0 HG SER A 84 14.294 8.898 -11.940 1.00 0.00 H new ATOM 1280 N GLN A 85 12.281 8.070 -8.720 1.00 0.00 N ATOM 1281 CA GLN A 85 11.932 9.004 -7.656 1.00 0.00 C ATOM 1282 C GLN A 85 11.556 8.260 -6.379 1.00 0.00 C ATOM 1283 O GLN A 85 11.805 8.739 -5.272 1.00 0.00 O ATOM 1284 CB GLN A 85 10.774 9.902 -8.097 1.00 0.00 C ATOM 1285 CG GLN A 85 11.219 11.128 -8.878 1.00 0.00 C ATOM 1286 CD GLN A 85 11.478 12.326 -7.986 1.00 0.00 C ATOM 1287 OE1 GLN A 85 10.678 13.261 -7.934 1.00 0.00 O ATOM 1288 NE2 GLN A 85 12.601 12.306 -7.278 1.00 0.00 N ATOM 0 H GLN A 85 11.592 8.007 -9.469 1.00 0.00 H new ATOM 0 HA GLN A 85 12.805 9.623 -7.450 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.087 9.320 -8.711 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.219 10.224 -7.216 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.126 10.891 -9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.454 11.384 -9.611 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.236 11.511 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.829 13.086 -6.661 1.00 0.00 H new ATOM 1297 N LEU A 86 10.954 7.087 -6.540 1.00 0.00 N ATOM 1298 CA LEU A 86 10.543 6.275 -5.400 1.00 0.00 C ATOM 1299 C LEU A 86 11.719 6.015 -4.464 1.00 0.00 C ATOM 1300 O LEU A 86 12.834 5.744 -4.910 1.00 0.00 O ATOM 1301 CB LEU A 86 9.955 4.947 -5.879 1.00 0.00 C ATOM 1302 CG LEU A 86 8.595 5.027 -6.573 1.00 0.00 C ATOM 1303 CD1 LEU A 86 8.276 3.716 -7.275 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.504 5.376 -5.571 1.00 0.00 C ATOM 0 H LEU A 86 10.740 6.677 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 86 9.780 6.826 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.664 4.485 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.864 4.282 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 86 8.638 5.817 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.304 3.792 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.042 3.507 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.253 2.908 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.543 5.429 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.462 4.609 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.725 6.341 -5.114 1.00 0.00 H new ATOM 1316 N LYS A 87 11.463 6.099 -3.163 1.00 0.00 N ATOM 1317 CA LYS A 87 12.498 5.869 -2.162 1.00 0.00 C ATOM 1318 C LYS A 87 12.829 4.384 -2.053 1.00 0.00 C ATOM 1319 O LYS A 87 11.999 3.583 -1.626 1.00 0.00 O ATOM 1320 CB LYS A 87 12.048 6.404 -0.801 1.00 0.00 C ATOM 1321 CG LYS A 87 13.199 6.722 0.138 1.00 0.00 C ATOM 1322 CD LYS A 87 13.746 5.466 0.796 1.00 0.00 C ATOM 1323 CE LYS A 87 12.834 4.980 1.912 1.00 0.00 C ATOM 1324 NZ LYS A 87 12.915 5.855 3.115 1.00 0.00 N ATOM 0 H LYS A 87 10.546 6.325 -2.777 1.00 0.00 H new ATOM 0 HA LYS A 87 13.396 6.401 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.454 7.305 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.397 5.669 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.995 7.219 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.862 7.418 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.858 4.681 0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.739 5.667 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.805 4.950 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.106 3.961 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.460 5.380 3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.913 6.042 3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.429 6.754 2.923 1.00 0.00 H new ATOM 1338 N GLY A 88 14.049 4.024 -2.440 1.00 0.00 N ATOM 1339 CA GLY A 88 14.469 2.636 -2.376 1.00 0.00 C ATOM 1340 C GLY A 88 14.342 1.930 -3.711 1.00 0.00 C ATOM 1341 O GLY A 88 14.053 0.734 -3.764 1.00 0.00 O ATOM 0 H GLY A 88 14.754 4.669 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.505 2.588 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.868 2.112 -1.633 1.00 0.00 H new ATOM 1345 N PHE A 89 14.557 2.671 -4.793 1.00 0.00 N ATOM 1346 CA PHE A 89 14.463 2.109 -6.135 1.00 0.00 C ATOM 1347 C PHE A 89 15.774 1.441 -6.539 1.00 0.00 C ATOM 1348 O PHE A 89 15.788 0.290 -6.975 1.00 0.00 O ATOM 1349 CB PHE A 89 14.102 3.201 -7.144 1.00 0.00 C ATOM 1350 CG PHE A 89 14.152 2.738 -8.572 1.00 0.00 C ATOM 1351 CD1 PHE A 89 13.084 2.056 -9.131 1.00 0.00 C ATOM 1352 CD2 PHE A 89 15.268 2.986 -9.356 1.00 0.00 C ATOM 1353 CE1 PHE A 89 13.128 1.628 -10.445 1.00 0.00 C ATOM 1354 CE2 PHE A 89 15.317 2.561 -10.670 1.00 0.00 C ATOM 1355 CZ PHE A 89 14.245 1.882 -11.216 1.00 0.00 C ATOM 0 H PHE A 89 14.797 3.662 -4.767 1.00 0.00 H new ATOM 0 HA PHE A 89 13.677 1.353 -6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 89 13.100 3.570 -6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.785 4.041 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 89 12.207 1.856 -8.534 1.00 0.00 H new ATOM 0 HD2 PHE A 89 16.109 3.517 -8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.289 1.095 -10.868 1.00 0.00 H new ATOM 0 HE2 PHE A 89 16.193 2.760 -11.270 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.280 1.551 -12.243 1.00 0.00 H new ATOM 1365 N SER A 90 16.874 2.172 -6.390 1.00 0.00 N ATOM 1366 CA SER A 90 18.190 1.653 -6.742 1.00 0.00 C ATOM 1367 C SER A 90 18.454 0.321 -6.045 1.00 0.00 C ATOM 1368 O SER A 90 19.152 -0.543 -6.576 1.00 0.00 O ATOM 1369 CB SER A 90 19.277 2.662 -6.367 1.00 0.00 C ATOM 1370 OG SER A 90 20.565 2.077 -6.445 1.00 0.00 O ATOM 0 H SER A 90 16.880 3.126 -6.028 1.00 0.00 H new ATOM 0 HA SER A 90 18.212 1.490 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.224 3.523 -7.034 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.102 3.031 -5.356 1.00 0.00 H new ATOM 0 HG SER A 90 21.242 2.743 -6.202 1.00 0.00 H new ATOM 1376 N LEU A 91 17.890 0.163 -4.853 1.00 0.00 N ATOM 1377 CA LEU A 91 18.062 -1.062 -4.081 1.00 0.00 C ATOM 1378 C LEU A 91 17.342 -2.231 -4.747 1.00 0.00 C ATOM 1379 O LEU A 91 17.840 -3.358 -4.754 1.00 0.00 O ATOM 1380 CB LEU A 91 17.538 -0.870 -2.657 1.00 0.00 C ATOM 1381 CG LEU A 91 18.069 0.352 -1.906 1.00 0.00 C ATOM 1382 CD1 LEU A 91 17.318 0.541 -0.597 1.00 0.00 C ATOM 1383 CD2 LEU A 91 19.563 0.215 -1.652 1.00 0.00 C ATOM 0 H LEU A 91 17.309 0.869 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 91 19.127 -1.290 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.451 -0.803 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.781 -1.761 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 91 17.906 1.234 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.709 1.415 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.258 0.686 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.448 -0.342 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.923 1.094 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.750 -0.677 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 91 20.088 0.130 -2.604 1.00 0.00 H new ATOM 1395 N LEU A 92 16.170 -1.955 -5.306 1.00 0.00 N ATOM 1396 CA LEU A 92 15.381 -2.983 -5.977 1.00 0.00 C ATOM 1397 C LEU A 92 16.260 -3.835 -6.887 1.00 0.00 C ATOM 1398 O LEU A 92 17.255 -3.358 -7.431 1.00 0.00 O ATOM 1399 CB LEU A 92 14.256 -2.340 -6.791 1.00 0.00 C ATOM 1400 CG LEU A 92 13.231 -1.531 -5.996 1.00 0.00 C ATOM 1401 CD1 LEU A 92 12.278 -0.809 -6.935 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.462 -2.434 -5.043 1.00 0.00 C ATOM 0 H LEU A 92 15.744 -1.028 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 92 14.946 -3.629 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.704 -1.686 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.729 -3.127 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 92 13.763 -0.784 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.555 -0.238 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.842 -0.132 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.752 -1.538 -7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.737 -1.841 -4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.941 -3.204 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.157 -2.905 -4.348 1.00 0.00 H new ATOM 1414 N ALA A 93 15.883 -5.099 -7.049 1.00 0.00 N ATOM 1415 CA ALA A 93 16.634 -6.017 -7.897 1.00 0.00 C ATOM 1416 C ALA A 93 16.635 -5.548 -9.348 1.00 0.00 C ATOM 1417 O ALA A 93 15.581 -5.290 -9.930 1.00 0.00 O ATOM 1418 CB ALA A 93 16.057 -7.422 -7.795 1.00 0.00 C ATOM 0 H ALA A 93 15.062 -5.511 -6.604 1.00 0.00 H new ATOM 0 HA ALA A 93 17.666 -6.033 -7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.627 -8.097 -8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.114 -7.765 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.016 -7.412 -8.117 1.00 0.00 H new ATOM 1424 N THR A 94 17.827 -5.439 -9.928 1.00 0.00 N ATOM 1425 CA THR A 94 17.965 -4.999 -11.311 1.00 0.00 C ATOM 1426 C THR A 94 16.789 -5.470 -12.159 1.00 0.00 C ATOM 1427 O THR A 94 16.153 -4.675 -12.849 1.00 0.00 O ATOM 1428 CB THR A 94 19.274 -5.517 -11.936 1.00 0.00 C ATOM 1429 OG1 THR A 94 20.384 -5.188 -11.093 1.00 0.00 O ATOM 1430 CG2 THR A 94 19.487 -4.918 -13.319 1.00 0.00 C ATOM 0 H THR A 94 18.709 -5.649 -9.462 1.00 0.00 H new ATOM 0 HA THR A 94 17.984 -3.909 -11.296 1.00 0.00 H new ATOM 0 HB THR A 94 19.200 -6.600 -12.033 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.212 -5.522 -11.497 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.417 -5.298 -13.741 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.655 -5.194 -13.967 1.00 0.00 H new ATOM 0 HG23 THR A 94 19.541 -3.832 -13.241 1.00 0.00 H new ATOM 1438 N GLU A 95 16.506 -6.767 -12.100 1.00 0.00 N ATOM 1439 CA GLU A 95 15.405 -7.343 -12.864 1.00 0.00 C ATOM 1440 C GLU A 95 14.094 -6.626 -12.555 1.00 0.00 C ATOM 1441 O GLU A 95 13.355 -6.243 -13.461 1.00 0.00 O ATOM 1442 CB GLU A 95 15.268 -8.836 -12.557 1.00 0.00 C ATOM 1443 CG GLU A 95 15.065 -9.137 -11.081 1.00 0.00 C ATOM 1444 CD GLU A 95 15.132 -10.621 -10.775 1.00 0.00 C ATOM 1445 OE1 GLU A 95 14.192 -11.348 -11.158 1.00 0.00 O ATOM 1446 OE2 GLU A 95 16.123 -11.054 -10.151 1.00 0.00 O ATOM 0 H GLU A 95 17.023 -7.438 -11.532 1.00 0.00 H new ATOM 0 HA GLU A 95 15.627 -7.216 -13.924 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.426 -9.239 -13.121 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.162 -9.354 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.825 -8.615 -10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.098 -8.747 -10.764 1.00 0.00 H new ATOM 1453 N ASP A 96 13.814 -6.448 -11.268 1.00 0.00 N ATOM 1454 CA ASP A 96 12.593 -5.777 -10.838 1.00 0.00 C ATOM 1455 C ASP A 96 12.592 -4.316 -11.279 1.00 0.00 C ATOM 1456 O ASP A 96 11.623 -3.835 -11.866 1.00 0.00 O ATOM 1457 CB ASP A 96 12.447 -5.863 -9.318 1.00 0.00 C ATOM 1458 CG ASP A 96 11.973 -7.228 -8.858 1.00 0.00 C ATOM 1459 OD1 ASP A 96 12.482 -8.241 -9.382 1.00 0.00 O ATOM 1460 OD2 ASP A 96 11.093 -7.283 -7.975 1.00 0.00 O ATOM 0 H ASP A 96 14.416 -6.759 -10.505 1.00 0.00 H new ATOM 0 HA ASP A 96 11.747 -6.280 -11.306 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.406 -5.638 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.742 -5.104 -8.980 1.00 0.00 H new ATOM 1465 N LYS A 97 13.683 -3.615 -10.990 1.00 0.00 N ATOM 1466 CA LYS A 97 13.809 -2.210 -11.357 1.00 0.00 C ATOM 1467 C LYS A 97 13.172 -1.943 -12.717 1.00 0.00 C ATOM 1468 O LYS A 97 12.176 -1.228 -12.815 1.00 0.00 O ATOM 1469 CB LYS A 97 15.283 -1.798 -11.382 1.00 0.00 C ATOM 1470 CG LYS A 97 16.010 -2.060 -10.074 1.00 0.00 C ATOM 1471 CD LYS A 97 17.491 -1.738 -10.185 1.00 0.00 C ATOM 1472 CE LYS A 97 17.779 -0.297 -9.793 1.00 0.00 C ATOM 1473 NZ LYS A 97 18.944 0.257 -10.536 1.00 0.00 N ATOM 0 H LYS A 97 14.493 -3.997 -10.502 1.00 0.00 H new ATOM 0 HA LYS A 97 13.285 -1.617 -10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.789 -2.337 -12.183 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.351 -0.736 -11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.564 -1.458 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.884 -3.105 -9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.060 -2.411 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.827 -1.912 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.899 0.315 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.973 -0.244 -8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.108 1.241 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.790 -0.312 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.749 0.230 -11.557 1.00 0.00 H new ATOM 1487 N GLU A 98 13.754 -2.523 -13.762 1.00 0.00 N ATOM 1488 CA GLU A 98 13.242 -2.347 -15.116 1.00 0.00 C ATOM 1489 C GLU A 98 11.731 -2.554 -15.157 1.00 0.00 C ATOM 1490 O GLU A 98 11.000 -1.758 -15.745 1.00 0.00 O ATOM 1491 CB GLU A 98 13.928 -3.322 -16.075 1.00 0.00 C ATOM 1492 CG GLU A 98 15.435 -3.144 -16.150 1.00 0.00 C ATOM 1493 CD GLU A 98 15.848 -1.685 -16.193 1.00 0.00 C ATOM 1494 OE1 GLU A 98 15.174 -0.899 -16.891 1.00 0.00 O ATOM 1495 OE2 GLU A 98 16.845 -1.330 -15.531 1.00 0.00 O ATOM 0 H GLU A 98 14.580 -3.118 -13.697 1.00 0.00 H new ATOM 0 HA GLU A 98 13.460 -1.326 -15.430 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.706 -4.342 -15.762 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.506 -3.195 -17.072 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.897 -3.623 -15.287 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.813 -3.651 -17.037 1.00 0.00 H new ATOM 1502 N ALA A 99 11.270 -3.630 -14.528 1.00 0.00 N ATOM 1503 CA ALA A 99 9.846 -3.942 -14.491 1.00 0.00 C ATOM 1504 C ALA A 99 9.025 -2.715 -14.108 1.00 0.00 C ATOM 1505 O ALA A 99 8.075 -2.351 -14.802 1.00 0.00 O ATOM 1506 CB ALA A 99 9.581 -5.081 -13.518 1.00 0.00 C ATOM 0 H ALA A 99 11.862 -4.300 -14.037 1.00 0.00 H new ATOM 0 HA ALA A 99 9.541 -4.253 -15.490 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.514 -5.304 -13.500 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.131 -5.967 -13.836 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.908 -4.790 -12.520 1.00 0.00 H new ATOM 1512 N LEU A 100 9.397 -2.082 -13.001 1.00 0.00 N ATOM 1513 CA LEU A 100 8.694 -0.895 -12.526 1.00 0.00 C ATOM 1514 C LEU A 100 8.789 0.238 -13.543 1.00 0.00 C ATOM 1515 O LEU A 100 7.776 0.711 -14.057 1.00 0.00 O ATOM 1516 CB LEU A 100 9.270 -0.441 -11.184 1.00 0.00 C ATOM 1517 CG LEU A 100 8.839 -1.250 -9.960 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.753 -0.960 -8.780 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.391 -0.947 -9.603 1.00 0.00 C ATOM 0 H LEU A 100 10.181 -2.370 -12.416 1.00 0.00 H new ATOM 0 HA LEU A 100 7.643 -1.153 -12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.358 -0.471 -11.250 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.989 0.600 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 100 8.918 -2.310 -10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.431 -1.544 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.777 -1.229 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.707 0.101 -8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.102 -1.532 -8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.286 0.115 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.747 -1.207 -10.443 1.00 0.00 H new ATOM 1531 N LYS A 101 10.013 0.667 -13.830 1.00 0.00 N ATOM 1532 CA LYS A 101 10.242 1.741 -14.789 1.00 0.00 C ATOM 1533 C LYS A 101 9.215 1.694 -15.916 1.00 0.00 C ATOM 1534 O LYS A 101 8.596 2.704 -16.248 1.00 0.00 O ATOM 1535 CB LYS A 101 11.655 1.644 -15.368 1.00 0.00 C ATOM 1536 CG LYS A 101 12.712 2.320 -14.511 1.00 0.00 C ATOM 1537 CD LYS A 101 14.107 1.823 -14.850 1.00 0.00 C ATOM 1538 CE LYS A 101 14.574 2.348 -16.199 1.00 0.00 C ATOM 1539 NZ LYS A 101 16.059 2.415 -16.284 1.00 0.00 N ATOM 0 H LYS A 101 10.862 0.287 -13.412 1.00 0.00 H new ATOM 0 HA LYS A 101 10.136 2.690 -14.264 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.917 0.593 -15.491 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.663 2.093 -16.361 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.664 3.399 -14.657 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.503 2.131 -13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.805 2.138 -14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.113 0.733 -14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.194 1.703 -16.991 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.155 3.340 -16.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.337 2.778 -17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.421 3.050 -15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.458 1.464 -16.149 1.00 0.00 H new ATOM 1553 N LYS A 102 9.039 0.513 -16.499 1.00 0.00 N ATOM 1554 CA LYS A 102 8.085 0.332 -17.587 1.00 0.00 C ATOM 1555 C LYS A 102 6.665 0.644 -17.124 1.00 0.00 C ATOM 1556 O LYS A 102 5.948 1.409 -17.767 1.00 0.00 O ATOM 1557 CB LYS A 102 8.155 -1.100 -18.121 1.00 0.00 C ATOM 1558 CG LYS A 102 9.162 -1.282 -19.244 1.00 0.00 C ATOM 1559 CD LYS A 102 10.577 -1.418 -18.707 1.00 0.00 C ATOM 1560 CE LYS A 102 11.612 -1.105 -19.777 1.00 0.00 C ATOM 1561 NZ LYS A 102 11.781 -2.234 -20.733 1.00 0.00 N ATOM 0 H LYS A 102 9.544 -0.333 -16.236 1.00 0.00 H new ATOM 0 HA LYS A 102 8.348 1.025 -18.386 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.411 -1.772 -17.302 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.168 -1.394 -18.478 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.905 -2.168 -19.824 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.110 -0.431 -19.923 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.712 -0.745 -17.861 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.731 -2.431 -18.336 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.312 -0.210 -20.322 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.569 -0.884 -19.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.495 -1.981 -21.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.092 -3.082 -20.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.875 -2.429 -21.204 1.00 0.00 H new ATOM 1575 N GLN A 103 6.269 0.047 -16.004 1.00 0.00 N ATOM 1576 CA GLN A 103 4.935 0.263 -15.456 1.00 0.00 C ATOM 1577 C GLN A 103 4.688 1.745 -15.191 1.00 0.00 C ATOM 1578 O GLN A 103 3.663 2.296 -15.595 1.00 0.00 O ATOM 1579 CB GLN A 103 4.757 -0.535 -14.163 1.00 0.00 C ATOM 1580 CG GLN A 103 4.562 -2.025 -14.389 1.00 0.00 C ATOM 1581 CD GLN A 103 4.277 -2.778 -13.105 1.00 0.00 C ATOM 1582 OE1 GLN A 103 4.958 -2.590 -12.097 1.00 0.00 O ATOM 1583 NE2 GLN A 103 3.265 -3.637 -13.134 1.00 0.00 N ATOM 0 H GLN A 103 6.852 -0.589 -15.459 1.00 0.00 H new ATOM 0 HA GLN A 103 4.208 -0.082 -16.191 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.631 -0.384 -13.529 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.897 -0.143 -13.619 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.738 -2.178 -15.086 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.456 -2.438 -14.857 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.726 -3.762 -13.991 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.026 -4.172 -12.299 1.00 0.00 H new ATOM 1592 N LEU A 104 5.633 2.384 -14.511 1.00 0.00 N ATOM 1593 CA LEU A 104 5.518 3.803 -14.192 1.00 0.00 C ATOM 1594 C LEU A 104 6.526 4.624 -14.989 1.00 0.00 C ATOM 1595 O LEU A 104 7.565 5.044 -14.479 1.00 0.00 O ATOM 1596 CB LEU A 104 5.732 4.028 -12.694 1.00 0.00 C ATOM 1597 CG LEU A 104 4.893 3.157 -11.758 1.00 0.00 C ATOM 1598 CD1 LEU A 104 5.522 3.100 -10.374 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.467 3.682 -11.676 1.00 0.00 C ATOM 0 H LEU A 104 6.487 1.943 -14.170 1.00 0.00 H new ATOM 0 HA LEU A 104 4.514 4.131 -14.463 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.785 3.859 -12.468 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.522 5.074 -12.470 1.00 0.00 H new ATOM 0 HG LEU A 104 4.864 2.146 -12.163 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.911 2.476 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.524 2.677 -10.447 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.583 4.107 -9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.885 3.050 -11.006 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.477 4.703 -11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.017 3.669 -12.669 1.00 0.00 H new ATOM 1611 N PRO A 105 6.214 4.861 -16.272 1.00 0.00 N ATOM 1612 CA PRO A 105 7.078 5.636 -17.167 1.00 0.00 C ATOM 1613 C PRO A 105 7.114 7.116 -16.801 1.00 0.00 C ATOM 1614 O PRO A 105 8.018 7.844 -17.208 1.00 0.00 O ATOM 1615 CB PRO A 105 6.431 5.441 -18.541 1.00 0.00 C ATOM 1616 CG PRO A 105 5.001 5.145 -18.248 1.00 0.00 C ATOM 1617 CD PRO A 105 4.992 4.391 -16.947 1.00 0.00 C ATOM 0 HA PRO A 105 8.116 5.306 -17.118 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.532 6.335 -19.157 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.901 4.623 -19.087 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.420 6.064 -18.170 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.554 4.552 -19.046 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.099 4.611 -16.361 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.011 3.313 -17.107 1.00 0.00 H new ATOM 1625 N GLY A 106 6.124 7.554 -16.029 1.00 0.00 N ATOM 1626 CA GLY A 106 6.062 8.945 -15.620 1.00 0.00 C ATOM 1627 C GLY A 106 5.154 9.770 -16.509 1.00 0.00 C ATOM 1628 O GLY A 106 3.956 9.884 -16.251 1.00 0.00 O ATOM 0 H GLY A 106 5.364 6.970 -15.680 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.708 9.003 -14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.065 9.370 -15.636 1.00 0.00 H new