USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 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 35 GLN : amide:sc= -4.76! C(o=-4.9!,f=-7.6!) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 14 MET CE :methyl 168:sc= -2.75 (180deg=-3.64) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0492) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 26:sc= 0.187 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.05! C(o=-3.1!,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 0.423 (180deg=0.0077) USER MOD Single : A 33 THR OG1 : rot 154:sc= 0.871 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 74:sc= 0.658 USER MOD Single : A 63 ASN : amide:sc= -1.91! X(o=-1.9!,f=-2.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -7.04! C(o=-7!,f=-7.2!) USER MOD Single : A 67 LYS NZ :NH3+ -150:sc= -0.324 (180deg=-1.35!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 11 4.248 -11.378 -0.696 1.00 0.00 N ATOM 119 CA LEU A 11 3.572 -10.495 0.248 1.00 0.00 C ATOM 120 C LEU A 11 4.425 -10.272 1.493 1.00 0.00 C ATOM 121 O LEU A 11 4.643 -9.136 1.912 1.00 0.00 O ATOM 122 CB LEU A 11 2.216 -11.081 0.644 1.00 0.00 C ATOM 123 CG LEU A 11 1.089 -10.915 -0.376 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.139 -11.704 0.053 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.744 -9.444 -0.555 1.00 0.00 C ATOM 0 HA LEU A 11 3.417 -9.533 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.346 -12.145 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.903 -10.619 1.580 1.00 0.00 H new ATOM 0 HG LEU A 11 1.431 -11.306 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.931 -11.574 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.116 -12.761 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.483 -11.343 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.060 -9.345 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.422 -9.027 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.623 -8.905 -0.908 1.00 0.00 H new ATOM 137 N GLU A 12 4.908 -11.365 2.076 1.00 0.00 N ATOM 138 CA GLU A 12 5.739 -11.288 3.272 1.00 0.00 C ATOM 139 C GLU A 12 6.615 -10.038 3.246 1.00 0.00 C ATOM 140 O GLU A 12 6.484 -9.157 4.096 1.00 0.00 O ATOM 141 CB GLU A 12 6.616 -12.536 3.392 1.00 0.00 C ATOM 142 CG GLU A 12 5.847 -13.783 3.794 1.00 0.00 C ATOM 143 CD GLU A 12 6.759 -14.947 4.131 1.00 0.00 C ATOM 144 OE1 GLU A 12 7.347 -15.531 3.196 1.00 0.00 O ATOM 145 OE2 GLU A 12 6.885 -15.274 5.329 1.00 0.00 O ATOM 0 H GLU A 12 4.738 -12.313 1.740 1.00 0.00 H new ATOM 0 HA GLU A 12 5.080 -11.231 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.110 -12.716 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.400 -12.350 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.220 -13.556 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.180 -14.072 2.982 1.00 0.00 H new ATOM 152 N ASP A 13 7.508 -9.970 2.265 1.00 0.00 N ATOM 153 CA ASP A 13 8.406 -8.829 2.127 1.00 0.00 C ATOM 154 C ASP A 13 7.621 -7.550 1.850 1.00 0.00 C ATOM 155 O ASP A 13 7.790 -6.545 2.539 1.00 0.00 O ATOM 156 CB ASP A 13 9.413 -9.078 1.003 1.00 0.00 C ATOM 157 CG ASP A 13 8.741 -9.301 -0.337 1.00 0.00 C ATOM 158 OD1 ASP A 13 8.290 -10.437 -0.593 1.00 0.00 O ATOM 159 OD2 ASP A 13 8.666 -8.339 -1.131 1.00 0.00 O ATOM 0 H ASP A 13 7.630 -10.691 1.554 1.00 0.00 H new ATOM 0 HA ASP A 13 8.945 -8.707 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.089 -8.226 0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.021 -9.948 1.250 1.00 0.00 H new ATOM 164 N MET A 14 6.763 -7.597 0.835 1.00 0.00 N ATOM 165 CA MET A 14 5.953 -6.442 0.467 1.00 0.00 C ATOM 166 C MET A 14 5.477 -5.693 1.708 1.00 0.00 C ATOM 167 O MET A 14 5.298 -4.476 1.681 1.00 0.00 O ATOM 168 CB MET A 14 4.750 -6.882 -0.369 1.00 0.00 C ATOM 169 CG MET A 14 3.728 -5.779 -0.592 1.00 0.00 C ATOM 170 SD MET A 14 2.129 -6.412 -1.132 1.00 0.00 S ATOM 171 CE MET A 14 1.302 -6.632 0.441 1.00 0.00 C ATOM 0 H MET A 14 6.611 -8.422 0.254 1.00 0.00 H new ATOM 0 HA MET A 14 6.573 -5.770 -0.126 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.102 -7.241 -1.336 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.263 -7.723 0.125 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.598 -5.217 0.333 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.109 -5.082 -1.338 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.240 -6.813 0.272 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.736 -7.484 0.964 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.425 -5.734 1.046 1.00 0.00 H new ATOM 181 N LYS A 15 5.275 -6.429 2.796 1.00 0.00 N ATOM 182 CA LYS A 15 4.822 -5.835 4.049 1.00 0.00 C ATOM 183 C LYS A 15 5.973 -5.141 4.770 1.00 0.00 C ATOM 184 O LYS A 15 5.985 -3.918 4.908 1.00 0.00 O ATOM 185 CB LYS A 15 4.211 -6.908 4.954 1.00 0.00 C ATOM 186 CG LYS A 15 3.101 -7.704 4.290 1.00 0.00 C ATOM 187 CD LYS A 15 2.815 -8.994 5.039 1.00 0.00 C ATOM 188 CE LYS A 15 2.176 -10.035 4.133 1.00 0.00 C ATOM 189 NZ LYS A 15 1.930 -11.318 4.849 1.00 0.00 N ATOM 0 H LYS A 15 5.418 -7.438 2.835 1.00 0.00 H new ATOM 0 HA LYS A 15 4.062 -5.090 3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.997 -7.593 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.818 -6.433 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.195 -7.100 4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.382 -7.934 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.743 -9.390 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.154 -8.788 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.233 -9.649 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.823 -10.216 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.494 -12.001 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.832 -11.700 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.292 -11.150 5.653 1.00 0.00 H new ATOM 203 N LYS A 16 6.940 -5.930 5.227 1.00 0.00 N ATOM 204 CA LYS A 16 8.097 -5.392 5.932 1.00 0.00 C ATOM 205 C LYS A 16 8.661 -4.176 5.204 1.00 0.00 C ATOM 206 O LYS A 16 9.245 -3.286 5.822 1.00 0.00 O ATOM 207 CB LYS A 16 9.180 -6.464 6.069 1.00 0.00 C ATOM 208 CG LYS A 16 10.061 -6.600 4.839 1.00 0.00 C ATOM 209 CD LYS A 16 11.282 -7.460 5.119 1.00 0.00 C ATOM 210 CE LYS A 16 12.328 -7.317 4.024 1.00 0.00 C ATOM 211 NZ LYS A 16 13.054 -6.020 4.115 1.00 0.00 N ATOM 0 H LYS A 16 6.945 -6.945 5.121 1.00 0.00 H new ATOM 0 HA LYS A 16 7.773 -5.081 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.806 -6.228 6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.705 -7.424 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.485 -7.039 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.379 -5.612 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.716 -7.176 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.981 -8.504 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.042 -8.138 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.846 -7.396 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.866 -6.030 3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.412 -5.244 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.392 -5.879 5.088 1.00 0.00 H new ATOM 225 N TYR A 17 8.480 -4.143 3.888 1.00 0.00 N ATOM 226 CA TYR A 17 8.972 -3.036 3.077 1.00 0.00 C ATOM 227 C TYR A 17 7.975 -1.881 3.071 1.00 0.00 C ATOM 228 O TYR A 17 8.245 -0.811 3.616 1.00 0.00 O ATOM 229 CB TYR A 17 9.235 -3.504 1.644 1.00 0.00 C ATOM 230 CG TYR A 17 9.528 -2.375 0.682 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.797 -1.813 0.606 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.536 -1.869 -0.149 1.00 0.00 C ATOM 233 CE1 TYR A 17 11.069 -0.781 -0.271 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.800 -0.838 -1.030 1.00 0.00 C ATOM 235 CZ TYR A 17 10.067 -0.297 -1.087 1.00 0.00 C ATOM 236 OH TYR A 17 10.334 0.731 -1.962 1.00 0.00 O ATOM 0 H TYR A 17 7.996 -4.870 3.361 1.00 0.00 H new ATOM 0 HA TYR A 17 9.906 -2.684 3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.077 -4.196 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.367 -4.058 1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.583 -2.189 1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.542 -2.289 -0.105 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.060 -0.355 -0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.018 -0.458 -1.671 1.00 0.00 H new ATOM 0 HH TYR A 17 9.522 0.953 -2.464 1.00 0.00 H new ATOM 246 N ALA A 18 6.822 -2.106 2.450 1.00 0.00 N ATOM 247 CA ALA A 18 5.783 -1.086 2.375 1.00 0.00 C ATOM 248 C ALA A 18 5.575 -0.414 3.728 1.00 0.00 C ATOM 249 O ALA A 18 5.180 0.749 3.799 1.00 0.00 O ATOM 250 CB ALA A 18 4.480 -1.695 1.880 1.00 0.00 C ATOM 0 H ALA A 18 6.584 -2.985 1.992 1.00 0.00 H new ATOM 0 HA ALA A 18 6.107 -0.324 1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.713 -0.922 1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.631 -2.122 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.160 -2.478 2.567 1.00 0.00 H new ATOM 256 N GLU A 19 5.842 -1.155 4.799 1.00 0.00 N ATOM 257 CA GLU A 19 5.681 -0.629 6.150 1.00 0.00 C ATOM 258 C GLU A 19 6.813 0.332 6.498 1.00 0.00 C ATOM 259 O GLU A 19 6.608 1.543 6.596 1.00 0.00 O ATOM 260 CB GLU A 19 5.639 -1.774 7.165 1.00 0.00 C ATOM 261 CG GLU A 19 5.343 -1.319 8.584 1.00 0.00 C ATOM 262 CD GLU A 19 3.878 -0.989 8.797 1.00 0.00 C ATOM 263 OE1 GLU A 19 3.314 -0.234 7.977 1.00 0.00 O ATOM 264 OE2 GLU A 19 3.296 -1.486 9.783 1.00 0.00 O ATOM 0 H GLU A 19 6.170 -2.120 4.758 1.00 0.00 H new ATOM 0 HA GLU A 19 4.739 -0.083 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.880 -2.493 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.596 -2.295 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.641 -2.101 9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.947 -0.441 8.813 1.00 0.00 H new ATOM 271 N THR A 20 8.011 -0.215 6.684 1.00 0.00 N ATOM 272 CA THR A 20 9.176 0.592 7.022 1.00 0.00 C ATOM 273 C THR A 20 9.416 1.676 5.978 1.00 0.00 C ATOM 274 O THR A 20 10.191 2.607 6.201 1.00 0.00 O ATOM 275 CB THR A 20 10.443 -0.275 7.147 1.00 0.00 C ATOM 276 OG1 THR A 20 11.415 0.392 7.960 1.00 0.00 O ATOM 277 CG2 THR A 20 11.036 -0.566 5.776 1.00 0.00 C ATOM 0 H THR A 20 8.199 -1.214 6.606 1.00 0.00 H new ATOM 0 HA THR A 20 8.968 1.059 7.985 1.00 0.00 H new ATOM 0 HB THR A 20 10.166 -1.220 7.614 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.961 1.006 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.930 -1.180 5.889 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.304 -1.099 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.299 0.372 5.287 1.00 0.00 H new ATOM 285 N PHE A 21 8.747 1.551 4.837 1.00 0.00 N ATOM 286 CA PHE A 21 8.888 2.521 3.757 1.00 0.00 C ATOM 287 C PHE A 21 7.815 3.602 3.853 1.00 0.00 C ATOM 288 O PHE A 21 8.093 4.787 3.664 1.00 0.00 O ATOM 289 CB PHE A 21 8.802 1.820 2.399 1.00 0.00 C ATOM 290 CG PHE A 21 8.431 2.741 1.272 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.200 3.859 0.993 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.315 2.488 0.491 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.861 4.709 -0.044 1.00 0.00 C ATOM 294 CE2 PHE A 21 6.971 3.333 -0.546 1.00 0.00 C ATOM 295 CZ PHE A 21 7.746 4.445 -0.815 1.00 0.00 C ATOM 0 H PHE A 21 8.101 0.787 4.636 1.00 0.00 H new ATOM 0 HA PHE A 21 9.865 2.994 3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.763 1.356 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.067 1.018 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.074 4.069 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.707 1.619 0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.468 5.578 -0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.097 3.125 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.480 5.106 -1.626 1.00 0.00 H new ATOM 305 N LEU A 22 6.589 3.185 4.147 1.00 0.00 N ATOM 306 CA LEU A 22 5.472 4.116 4.268 1.00 0.00 C ATOM 307 C LEU A 22 5.375 4.668 5.687 1.00 0.00 C ATOM 308 O LEU A 22 4.525 5.509 5.978 1.00 0.00 O ATOM 309 CB LEU A 22 4.162 3.425 3.887 1.00 0.00 C ATOM 310 CG LEU A 22 4.013 3.034 2.416 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.873 2.043 2.240 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.786 4.268 1.556 1.00 0.00 C ATOM 0 H LEU A 22 6.343 2.208 4.306 1.00 0.00 H new ATOM 0 HA LEU A 22 5.649 4.947 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.059 2.525 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.336 4.085 4.152 1.00 0.00 H new ATOM 0 HG LEU A 22 4.937 2.555 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.782 1.776 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.077 1.146 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.942 2.495 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.682 3.970 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.878 4.776 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.635 4.944 1.658 1.00 0.00 H new ATOM 324 N GLU A 23 6.253 4.191 6.563 1.00 0.00 N ATOM 325 CA GLU A 23 6.266 4.638 7.951 1.00 0.00 C ATOM 326 C GLU A 23 6.122 6.155 8.035 1.00 0.00 C ATOM 327 O GLU A 23 5.206 6.683 8.665 1.00 0.00 O ATOM 328 CB GLU A 23 7.560 4.199 8.640 1.00 0.00 C ATOM 329 CG GLU A 23 7.440 2.873 9.371 1.00 0.00 C ATOM 330 CD GLU A 23 8.601 2.619 10.313 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.679 2.212 9.831 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.431 2.827 11.533 1.00 0.00 O ATOM 0 H GLU A 23 6.964 3.496 6.337 1.00 0.00 H new ATOM 0 HA GLU A 23 5.418 4.180 8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.351 4.123 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.864 4.969 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.508 2.857 9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.385 2.064 8.642 1.00 0.00 H new ATOM 339 N PRO A 24 7.050 6.874 7.385 1.00 0.00 N ATOM 340 CA PRO A 24 7.049 8.340 7.371 1.00 0.00 C ATOM 341 C PRO A 24 5.893 8.911 6.555 1.00 0.00 C ATOM 342 O PRO A 24 5.671 10.121 6.540 1.00 0.00 O ATOM 343 CB PRO A 24 8.388 8.689 6.718 1.00 0.00 C ATOM 344 CG PRO A 24 8.723 7.503 5.881 1.00 0.00 C ATOM 345 CD PRO A 24 8.171 6.311 6.614 1.00 0.00 C ATOM 0 HA PRO A 24 6.925 8.757 8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.309 9.592 6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.157 8.874 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.282 7.589 4.888 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.801 7.413 5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.836 5.536 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.919 5.858 7.265 1.00 0.00 H new ATOM 353 N TRP A 25 5.162 8.032 5.879 1.00 0.00 N ATOM 354 CA TRP A 25 4.029 8.450 5.061 1.00 0.00 C ATOM 355 C TRP A 25 2.709 8.109 5.745 1.00 0.00 C ATOM 356 O TRP A 25 1.670 8.692 5.436 1.00 0.00 O ATOM 357 CB TRP A 25 4.093 7.783 3.686 1.00 0.00 C ATOM 358 CG TRP A 25 4.854 8.583 2.673 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.372 9.603 1.904 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.232 8.426 2.317 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.367 10.091 1.092 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.518 9.386 1.327 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.253 7.571 2.740 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.781 9.511 0.754 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.505 7.696 2.171 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.762 8.660 1.187 1.00 0.00 C ATOM 0 H TRP A 25 5.333 7.026 5.881 1.00 0.00 H new ATOM 0 HA TRP A 25 4.082 9.531 4.935 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.557 6.802 3.787 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.079 7.619 3.322 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.357 9.972 1.930 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.265 10.854 0.423 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.066 6.825 3.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.980 10.253 -0.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.300 7.039 2.490 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.752 8.733 0.762 1.00 0.00 H new ATOM 377 N PHE A 26 2.757 7.161 6.675 1.00 0.00 N ATOM 378 CA PHE A 26 1.565 6.742 7.401 1.00 0.00 C ATOM 379 C PHE A 26 1.822 6.726 8.905 1.00 0.00 C ATOM 380 O PHE A 26 0.985 7.165 9.695 1.00 0.00 O ATOM 381 CB PHE A 26 1.118 5.355 6.934 1.00 0.00 C ATOM 382 CG PHE A 26 0.412 5.368 5.608 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.581 6.298 5.346 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.742 4.449 4.625 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.232 6.313 4.127 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.094 4.459 3.403 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.894 5.391 3.154 1.00 0.00 C ATOM 0 H PHE A 26 3.609 6.669 6.943 1.00 0.00 H new ATOM 0 HA PHE A 26 0.772 7.461 7.193 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.990 4.705 6.866 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.456 4.923 7.685 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.849 7.020 6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.513 3.717 4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.004 7.044 3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.361 3.738 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.402 5.400 2.201 1.00 0.00 H new ATOM 397 N LYS A 27 2.985 6.216 9.295 1.00 0.00 N ATOM 398 CA LYS A 27 3.355 6.142 10.704 1.00 0.00 C ATOM 399 C LYS A 27 3.772 7.511 11.229 1.00 0.00 C ATOM 400 O LYS A 27 4.528 8.232 10.579 1.00 0.00 O ATOM 401 CB LYS A 27 4.495 5.139 10.901 1.00 0.00 C ATOM 402 CG LYS A 27 4.629 4.644 12.330 1.00 0.00 C ATOM 403 CD LYS A 27 5.831 3.729 12.493 1.00 0.00 C ATOM 404 CE LYS A 27 6.262 3.629 13.948 1.00 0.00 C ATOM 405 NZ LYS A 27 5.457 2.626 14.698 1.00 0.00 N ATOM 0 H LYS A 27 3.688 5.847 8.655 1.00 0.00 H new ATOM 0 HA LYS A 27 2.483 5.807 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.334 4.285 10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.433 5.603 10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.725 5.496 13.003 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.723 4.111 12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.587 2.736 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.659 4.104 11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.317 3.358 13.996 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.162 4.604 14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.782 2.588 15.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.454 2.898 14.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.573 1.690 14.259 1.00 0.00 H new ATOM 419 N ALA A 28 3.275 7.863 12.411 1.00 0.00 N ATOM 420 CA ALA A 28 3.599 9.145 13.025 1.00 0.00 C ATOM 421 C ALA A 28 5.078 9.476 12.856 1.00 0.00 C ATOM 422 O ALA A 28 5.916 8.598 12.650 1.00 0.00 O ATOM 423 CB ALA A 28 3.224 9.133 14.499 1.00 0.00 C ATOM 0 H ALA A 28 2.647 7.278 12.962 1.00 0.00 H new ATOM 0 HA ALA A 28 3.020 9.919 12.520 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.471 10.096 14.945 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.154 8.950 14.601 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.777 8.344 15.009 1.00 0.00 H new ATOM 429 N PRO A 29 5.409 10.773 12.943 1.00 0.00 N ATOM 430 CA PRO A 29 4.420 11.827 13.187 1.00 0.00 C ATOM 431 C PRO A 29 3.495 12.042 11.994 1.00 0.00 C ATOM 432 O PRO A 29 2.559 12.837 12.057 1.00 0.00 O ATOM 433 CB PRO A 29 5.279 13.071 13.429 1.00 0.00 C ATOM 434 CG PRO A 29 6.555 12.795 12.711 1.00 0.00 C ATOM 435 CD PRO A 29 6.773 11.310 12.810 1.00 0.00 C ATOM 0 HA PRO A 29 3.759 11.581 14.018 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.794 13.968 13.044 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.450 13.233 14.493 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.493 13.112 11.670 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.383 13.342 13.162 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.275 10.918 11.925 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.392 11.051 13.669 1.00 0.00 H new ATOM 443 N ASN A 30 3.765 11.327 10.906 1.00 0.00 N ATOM 444 CA ASN A 30 2.956 11.441 9.698 1.00 0.00 C ATOM 445 C ASN A 30 1.658 10.652 9.836 1.00 0.00 C ATOM 446 O ASN A 30 1.608 9.632 10.524 1.00 0.00 O ATOM 447 CB ASN A 30 3.743 10.941 8.484 1.00 0.00 C ATOM 448 CG ASN A 30 4.626 12.018 7.884 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.345 12.535 6.802 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.700 12.362 8.585 1.00 0.00 N ATOM 0 H ASN A 30 4.537 10.664 10.836 1.00 0.00 H new ATOM 0 HA ASN A 30 2.708 12.493 9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.360 10.092 8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.047 10.582 7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.331 13.081 8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.894 11.907 9.477 1.00 0.00 H new ATOM 457 N LYS A 31 0.609 11.130 9.175 1.00 0.00 N ATOM 458 CA LYS A 31 -0.691 10.470 9.222 1.00 0.00 C ATOM 459 C LYS A 31 -1.661 11.109 8.233 1.00 0.00 C ATOM 460 O LYS A 31 -1.377 12.160 7.661 1.00 0.00 O ATOM 461 CB LYS A 31 -1.270 10.537 10.637 1.00 0.00 C ATOM 462 CG LYS A 31 -1.142 11.906 11.282 1.00 0.00 C ATOM 463 CD LYS A 31 -2.259 12.157 12.282 1.00 0.00 C ATOM 464 CE LYS A 31 -3.511 12.685 11.598 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.441 13.329 12.565 1.00 0.00 N ATOM 0 H LYS A 31 0.634 11.972 8.600 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.551 9.426 8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.323 10.257 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.765 9.801 11.263 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.178 11.984 11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.163 12.676 10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.493 11.231 12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.923 12.873 13.032 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.229 13.406 10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.022 11.865 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.399 13.354 12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.452 12.784 13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.122 14.300 12.759 1.00 0.00 H new ATOM 479 N GLY A 32 -2.810 10.467 8.039 1.00 0.00 N ATOM 480 CA GLY A 32 -3.805 10.989 7.121 1.00 0.00 C ATOM 481 C GLY A 32 -4.522 9.892 6.359 1.00 0.00 C ATOM 482 O GLY A 32 -4.572 8.746 6.805 1.00 0.00 O ATOM 0 H GLY A 32 -3.069 9.595 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.535 11.578 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.324 11.664 6.413 1.00 0.00 H new ATOM 486 N THR A 33 -5.081 10.244 5.205 1.00 0.00 N ATOM 487 CA THR A 33 -5.802 9.282 4.381 1.00 0.00 C ATOM 488 C THR A 33 -4.976 8.869 3.168 1.00 0.00 C ATOM 489 O THR A 33 -3.943 9.471 2.874 1.00 0.00 O ATOM 490 CB THR A 33 -7.149 9.852 3.900 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.944 11.110 3.247 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.108 10.032 5.068 1.00 0.00 C ATOM 0 H THR A 33 -5.048 11.188 4.820 1.00 0.00 H new ATOM 0 HA THR A 33 -5.988 8.408 5.005 1.00 0.00 H new ATOM 0 HB THR A 33 -7.587 9.145 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.668 11.268 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.053 10.436 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.285 9.068 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.674 10.721 5.792 1.00 0.00 H new ATOM 500 N PHE A 34 -5.438 7.840 2.465 1.00 0.00 N ATOM 501 CA PHE A 34 -4.741 7.347 1.283 1.00 0.00 C ATOM 502 C PHE A 34 -5.652 6.452 0.449 1.00 0.00 C ATOM 503 O PHE A 34 -6.759 6.115 0.866 1.00 0.00 O ATOM 504 CB PHE A 34 -3.484 6.576 1.691 1.00 0.00 C ATOM 505 CG PHE A 34 -3.741 5.508 2.715 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.148 5.842 3.996 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.576 4.170 2.396 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.386 4.862 4.941 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.813 3.185 3.337 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.217 3.532 4.611 1.00 0.00 C ATOM 0 H PHE A 34 -6.292 7.331 2.694 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.451 8.206 0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.044 6.120 0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.749 7.278 2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.281 6.881 4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.259 3.893 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.704 5.136 5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.682 2.145 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.400 2.764 5.348 1.00 0.00 H new ATOM 520 N GLN A 35 -5.177 6.071 -0.733 1.00 0.00 N ATOM 521 CA GLN A 35 -5.949 5.217 -1.627 1.00 0.00 C ATOM 522 C GLN A 35 -5.053 4.183 -2.300 1.00 0.00 C ATOM 523 O GLN A 35 -4.211 4.524 -3.132 1.00 0.00 O ATOM 524 CB GLN A 35 -6.659 6.061 -2.687 1.00 0.00 C ATOM 525 CG GLN A 35 -5.709 6.841 -3.580 1.00 0.00 C ATOM 526 CD GLN A 35 -6.422 7.873 -4.431 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.112 9.063 -4.376 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.386 7.421 -5.226 1.00 0.00 N ATOM 0 H GLN A 35 -4.262 6.340 -1.093 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.696 4.692 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.274 5.409 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.334 6.759 -2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.962 7.339 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.175 6.147 -4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.611 6.426 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.901 8.069 -5.822 1.00 0.00 H new ATOM 537 N ILE A 36 -5.238 2.919 -1.935 1.00 0.00 N ATOM 538 CA ILE A 36 -4.447 1.835 -2.505 1.00 0.00 C ATOM 539 C ILE A 36 -5.037 1.361 -3.829 1.00 0.00 C ATOM 540 O ILE A 36 -6.253 1.229 -3.967 1.00 0.00 O ATOM 541 CB ILE A 36 -4.353 0.639 -1.540 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.667 1.059 -0.238 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.601 -0.511 -2.193 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.869 0.077 0.895 1.00 0.00 C ATOM 0 H ILE A 36 -5.929 2.620 -1.247 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.446 2.232 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.362 0.301 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.599 1.176 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.047 2.035 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.543 -1.349 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.126 -0.824 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.594 -0.186 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.356 0.439 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.934 -0.022 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.463 -0.894 0.611 1.00 0.00 H new ATOM 556 N VAL A 37 -4.166 1.104 -4.800 1.00 0.00 N ATOM 557 CA VAL A 37 -4.600 0.640 -6.112 1.00 0.00 C ATOM 558 C VAL A 37 -3.702 -0.480 -6.625 1.00 0.00 C ATOM 559 O VAL A 37 -2.483 -0.323 -6.709 1.00 0.00 O ATOM 560 CB VAL A 37 -4.607 1.789 -7.139 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.021 1.277 -8.510 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.526 2.909 -6.678 1.00 0.00 C ATOM 0 H VAL A 37 -3.156 1.209 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.615 0.261 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.596 2.189 -7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.020 2.102 -9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.318 0.512 -8.840 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.022 0.849 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.519 3.712 -7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.540 2.526 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.178 3.293 -5.719 1.00 0.00 H new ATOM 572 N TYR A 38 -4.311 -1.610 -6.966 1.00 0.00 N ATOM 573 CA TYR A 38 -3.565 -2.758 -7.468 1.00 0.00 C ATOM 574 C TYR A 38 -3.444 -2.706 -8.988 1.00 0.00 C ATOM 575 O TYR A 38 -4.413 -2.944 -9.709 1.00 0.00 O ATOM 576 CB TYR A 38 -4.247 -4.060 -7.045 1.00 0.00 C ATOM 577 CG TYR A 38 -3.610 -5.297 -7.636 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.355 -5.723 -7.219 1.00 0.00 C ATOM 579 CD2 TYR A 38 -4.264 -6.041 -8.611 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.769 -6.853 -7.757 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.686 -7.172 -9.154 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.439 -7.574 -8.724 1.00 0.00 C ATOM 583 OH TYR A 38 -1.859 -8.700 -9.262 1.00 0.00 O ATOM 0 H TYR A 38 -5.319 -1.756 -6.904 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.563 -2.724 -7.040 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.226 -4.135 -5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.295 -4.024 -7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.828 -5.161 -6.461 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.241 -5.729 -8.950 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.792 -7.170 -7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.208 -7.738 -9.911 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.461 -9.092 -9.928 1.00 0.00 H new ATOM 593 N LYS A 39 -2.246 -2.392 -9.469 1.00 0.00 N ATOM 594 CA LYS A 39 -1.993 -2.309 -10.902 1.00 0.00 C ATOM 595 C LYS A 39 -1.120 -3.470 -11.369 1.00 0.00 C ATOM 596 O LYS A 39 0.061 -3.546 -11.029 1.00 0.00 O ATOM 597 CB LYS A 39 -1.319 -0.979 -11.247 1.00 0.00 C ATOM 598 CG LYS A 39 -2.181 0.235 -10.945 1.00 0.00 C ATOM 599 CD LYS A 39 -1.514 1.520 -11.408 1.00 0.00 C ATOM 600 CE LYS A 39 -1.772 1.781 -12.884 1.00 0.00 C ATOM 601 NZ LYS A 39 -0.924 2.887 -13.408 1.00 0.00 N ATOM 0 H LYS A 39 -1.434 -2.190 -8.886 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.951 -2.367 -11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.385 -0.899 -10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.060 -0.976 -12.306 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.148 0.128 -11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.373 0.289 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.887 2.358 -10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.440 1.458 -11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.576 0.872 -13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.823 2.029 -13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.130 3.034 -14.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.129 3.761 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.080 2.640 -13.292 1.00 0.00 H new ATOM 760 N GLU A 49 -6.966 -8.652 -4.091 1.00 0.00 N ATOM 761 CA GLU A 49 -7.521 -8.305 -2.788 1.00 0.00 C ATOM 762 C GLU A 49 -6.448 -8.366 -1.705 1.00 0.00 C ATOM 763 O GLU A 49 -6.077 -7.346 -1.125 1.00 0.00 O ATOM 764 CB GLU A 49 -8.674 -9.246 -2.433 1.00 0.00 C ATOM 765 CG GLU A 49 -9.944 -8.977 -3.222 1.00 0.00 C ATOM 766 CD GLU A 49 -10.760 -7.836 -2.645 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.451 -6.668 -2.958 1.00 0.00 O ATOM 768 OE2 GLU A 49 -11.707 -8.113 -1.880 1.00 0.00 O ATOM 0 HA GLU A 49 -7.899 -7.284 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.359 -10.275 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.891 -9.155 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.683 -8.746 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.553 -9.881 -3.241 1.00 0.00 H new ATOM 775 N GLU A 50 -5.953 -9.571 -1.438 1.00 0.00 N ATOM 776 CA GLU A 50 -4.924 -9.766 -0.424 1.00 0.00 C ATOM 777 C GLU A 50 -3.930 -8.609 -0.428 1.00 0.00 C ATOM 778 O GLU A 50 -3.638 -8.022 0.614 1.00 0.00 O ATOM 779 CB GLU A 50 -4.187 -11.087 -0.661 1.00 0.00 C ATOM 780 CG GLU A 50 -3.350 -11.097 -1.928 1.00 0.00 C ATOM 781 CD GLU A 50 -2.735 -12.455 -2.210 1.00 0.00 C ATOM 782 OE1 GLU A 50 -2.352 -13.144 -1.241 1.00 0.00 O ATOM 783 OE2 GLU A 50 -2.637 -12.828 -3.397 1.00 0.00 O ATOM 0 H GLU A 50 -6.248 -10.426 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.412 -9.800 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.541 -11.291 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.916 -11.896 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.972 -10.802 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.557 -10.354 -1.841 1.00 0.00 H new ATOM 790 N VAL A 51 -3.411 -8.286 -1.609 1.00 0.00 N ATOM 791 CA VAL A 51 -2.450 -7.199 -1.751 1.00 0.00 C ATOM 792 C VAL A 51 -3.021 -5.888 -1.223 1.00 0.00 C ATOM 793 O VAL A 51 -2.419 -5.236 -0.369 1.00 0.00 O ATOM 794 CB VAL A 51 -2.030 -7.009 -3.221 1.00 0.00 C ATOM 795 CG1 VAL A 51 -1.034 -5.867 -3.348 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.450 -8.299 -3.780 1.00 0.00 C ATOM 0 H VAL A 51 -3.640 -8.762 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.574 -7.473 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.915 -6.753 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.749 -5.748 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.490 -4.945 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.148 -6.089 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.159 -8.147 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.576 -8.588 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.199 -9.089 -3.725 1.00 0.00 H new ATOM 806 N ILE A 52 -4.186 -5.508 -1.736 1.00 0.00 N ATOM 807 CA ILE A 52 -4.840 -4.275 -1.315 1.00 0.00 C ATOM 808 C ILE A 52 -5.282 -4.357 0.142 1.00 0.00 C ATOM 809 O ILE A 52 -4.786 -3.619 0.994 1.00 0.00 O ATOM 810 CB ILE A 52 -6.065 -3.959 -2.194 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.643 -3.797 -3.655 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.763 -2.702 -1.696 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.803 -3.558 -4.596 1.00 0.00 C ATOM 0 H ILE A 52 -4.697 -6.036 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.107 -3.476 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.766 -4.791 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.945 -2.964 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.107 -4.692 -3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.627 -2.491 -2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.093 -2.852 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.071 -1.861 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.429 -3.452 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.491 -4.402 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.326 -2.647 -4.305 1.00 0.00 H new ATOM 825 N ARG A 53 -6.215 -5.261 0.422 1.00 0.00 N ATOM 826 CA ARG A 53 -6.723 -5.440 1.777 1.00 0.00 C ATOM 827 C ARG A 53 -5.588 -5.385 2.795 1.00 0.00 C ATOM 828 O ARG A 53 -5.650 -4.633 3.767 1.00 0.00 O ATOM 829 CB ARG A 53 -7.463 -6.774 1.894 1.00 0.00 C ATOM 830 CG ARG A 53 -8.693 -6.868 1.006 1.00 0.00 C ATOM 831 CD ARG A 53 -9.887 -6.162 1.630 1.00 0.00 C ATOM 832 NE ARG A 53 -10.648 -7.047 2.507 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.448 -6.612 3.475 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.591 -5.311 3.686 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.108 -7.479 4.232 1.00 0.00 N ATOM 0 H ARG A 53 -6.634 -5.881 -0.271 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.417 -4.627 1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.779 -7.583 1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.762 -6.924 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.475 -6.426 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.938 -7.916 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.541 -5.298 2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.538 -5.785 0.841 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.561 -8.054 2.369 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.086 -4.642 3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.206 -4.979 4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.002 -8.481 4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.722 -7.144 4.975 1.00 0.00 H new ATOM 849 N GLU A 54 -4.553 -6.187 2.564 1.00 0.00 N ATOM 850 CA GLU A 54 -3.405 -6.230 3.463 1.00 0.00 C ATOM 851 C GLU A 54 -2.704 -4.876 3.514 1.00 0.00 C ATOM 852 O GLU A 54 -2.676 -4.217 4.554 1.00 0.00 O ATOM 853 CB GLU A 54 -2.419 -7.311 3.015 1.00 0.00 C ATOM 854 CG GLU A 54 -1.192 -7.420 3.904 1.00 0.00 C ATOM 855 CD GLU A 54 -1.439 -8.266 5.138 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.237 -9.496 5.063 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.834 -7.698 6.177 1.00 0.00 O ATOM 0 H GLU A 54 -4.486 -6.815 1.763 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.767 -6.470 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.931 -8.273 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.100 -7.100 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.370 -7.850 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.879 -6.421 4.209 1.00 0.00 H new ATOM 864 N LEU A 55 -2.138 -4.466 2.384 1.00 0.00 N ATOM 865 CA LEU A 55 -1.436 -3.190 2.298 1.00 0.00 C ATOM 866 C LEU A 55 -2.108 -2.139 3.175 1.00 0.00 C ATOM 867 O LEU A 55 -1.438 -1.324 3.808 1.00 0.00 O ATOM 868 CB LEU A 55 -1.388 -2.708 0.848 1.00 0.00 C ATOM 869 CG LEU A 55 -0.198 -3.190 0.018 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.530 -3.151 -1.465 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.034 -2.346 0.313 1.00 0.00 C ATOM 0 H LEU A 55 -2.152 -4.999 1.514 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.418 -3.339 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.304 -3.025 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.387 -1.618 0.849 1.00 0.00 H new ATOM 0 HG LEU A 55 0.018 -4.222 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.329 -3.498 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.384 -3.798 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.773 -2.129 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.872 -2.703 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.829 -1.304 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.285 -2.426 1.371 1.00 0.00 H new ATOM 883 N ALA A 56 -3.437 -2.164 3.207 1.00 0.00 N ATOM 884 CA ALA A 56 -4.200 -1.216 4.008 1.00 0.00 C ATOM 885 C ALA A 56 -4.144 -1.579 5.488 1.00 0.00 C ATOM 886 O ALA A 56 -3.842 -0.737 6.333 1.00 0.00 O ATOM 887 CB ALA A 56 -5.643 -1.162 3.530 1.00 0.00 C ATOM 0 H ALA A 56 -4.007 -2.831 2.687 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.751 -0.230 3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.201 -0.450 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.669 -0.848 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.094 -2.150 3.623 1.00 0.00 H new ATOM 893 N GLY A 57 -4.439 -2.838 5.796 1.00 0.00 N ATOM 894 CA GLY A 57 -4.418 -3.290 7.175 1.00 0.00 C ATOM 895 C GLY A 57 -3.143 -2.897 7.894 1.00 0.00 C ATOM 896 O GLY A 57 -3.147 -2.683 9.107 1.00 0.00 O ATOM 0 H GLY A 57 -4.692 -3.554 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.274 -2.871 7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.527 -4.374 7.201 1.00 0.00 H new ATOM 900 N ILE A 58 -2.049 -2.802 7.146 1.00 0.00 N ATOM 901 CA ILE A 58 -0.761 -2.433 7.721 1.00 0.00 C ATOM 902 C ILE A 58 -0.692 -0.935 7.996 1.00 0.00 C ATOM 903 O ILE A 58 -0.252 -0.509 9.064 1.00 0.00 O ATOM 904 CB ILE A 58 0.403 -2.827 6.793 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.402 -4.338 6.550 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.730 -2.382 7.389 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.332 -4.772 5.439 1.00 0.00 C ATOM 0 H ILE A 58 -2.029 -2.975 6.141 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.666 -2.978 8.660 1.00 0.00 H new ATOM 0 HB ILE A 58 0.270 -2.324 5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.688 -4.846 7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.612 -4.659 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.543 -2.668 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.727 -1.299 7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.872 -2.860 8.358 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.280 -5.855 5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.034 -4.292 4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.354 -4.483 5.686 1.00 0.00 H new ATOM 919 N VAL A 59 -1.130 -0.139 7.026 1.00 0.00 N ATOM 920 CA VAL A 59 -1.121 1.312 7.165 1.00 0.00 C ATOM 921 C VAL A 59 -1.668 1.738 8.522 1.00 0.00 C ATOM 922 O VAL A 59 -1.017 2.478 9.261 1.00 0.00 O ATOM 923 CB VAL A 59 -1.949 1.987 6.055 1.00 0.00 C ATOM 924 CG1 VAL A 59 -2.053 3.485 6.302 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.341 1.704 4.690 1.00 0.00 C ATOM 0 H VAL A 59 -1.496 -0.475 6.135 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.082 1.632 7.079 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.956 1.570 6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.641 3.945 5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.538 3.663 7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.055 3.922 6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.939 2.188 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.323 2.092 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.325 0.628 4.515 1.00 0.00 H new ATOM 935 N CYS A 60 -2.867 1.266 8.845 1.00 0.00 N ATOM 936 CA CYS A 60 -3.503 1.598 10.115 1.00 0.00 C ATOM 937 C CYS A 60 -2.629 1.170 11.289 1.00 0.00 C ATOM 938 O CYS A 60 -2.454 1.917 12.253 1.00 0.00 O ATOM 939 CB CYS A 60 -4.874 0.928 10.214 1.00 0.00 C ATOM 940 SG CYS A 60 -5.902 1.545 11.567 1.00 0.00 S ATOM 0 H CYS A 60 -3.418 0.652 8.245 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.632 2.680 10.156 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.406 1.072 9.273 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.733 -0.146 10.339 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.041 0.919 11.567 1.00 0.00 H new ATOM 946 N THR A 61 -2.082 -0.039 11.203 1.00 0.00 N ATOM 947 CA THR A 61 -1.228 -0.568 12.259 1.00 0.00 C ATOM 948 C THR A 61 -0.204 0.468 12.710 1.00 0.00 C ATOM 949 O THR A 61 0.102 0.577 13.898 1.00 0.00 O ATOM 950 CB THR A 61 -0.488 -1.839 11.799 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.432 -2.831 11.383 1.00 0.00 O ATOM 952 CG2 THR A 61 0.380 -2.394 12.919 1.00 0.00 C ATOM 0 H THR A 61 -2.215 -0.670 10.413 1.00 0.00 H new ATOM 0 HA THR A 61 -1.879 -0.818 13.096 1.00 0.00 H new ATOM 0 HB THR A 61 0.155 -1.576 10.959 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.809 -2.580 10.514 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.893 -3.291 12.572 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.116 -1.646 13.213 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.246 -2.643 13.775 1.00 0.00 H new ATOM 960 N LEU A 62 0.321 1.227 11.755 1.00 0.00 N ATOM 961 CA LEU A 62 1.311 2.256 12.054 1.00 0.00 C ATOM 962 C LEU A 62 0.710 3.353 12.926 1.00 0.00 C ATOM 963 O LEU A 62 1.072 3.501 14.092 1.00 0.00 O ATOM 964 CB LEU A 62 1.856 2.859 10.758 1.00 0.00 C ATOM 965 CG LEU A 62 2.433 1.869 9.747 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.384 2.450 8.342 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.860 1.494 10.122 1.00 0.00 C ATOM 0 H LEU A 62 0.078 1.150 10.767 1.00 0.00 H new ATOM 0 HA LEU A 62 2.129 1.790 12.603 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.053 3.415 10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.633 3.579 11.015 1.00 0.00 H new ATOM 0 HG LEU A 62 1.824 0.965 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.799 1.731 7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.350 2.666 8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.968 3.370 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.255 0.788 9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.481 2.390 10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.868 1.035 11.111 1.00 0.00 H new ATOM 979 N ASN A 63 -0.213 4.119 12.352 1.00 0.00 N ATOM 980 CA ASN A 63 -0.866 5.202 13.078 1.00 0.00 C ATOM 981 C ASN A 63 -2.384 5.073 12.996 1.00 0.00 C ATOM 982 O ASN A 63 -2.958 5.051 11.907 1.00 0.00 O ATOM 983 CB ASN A 63 -0.427 6.556 12.519 1.00 0.00 C ATOM 984 CG ASN A 63 -0.442 7.649 13.571 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.099 7.522 14.604 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.285 8.729 13.311 1.00 0.00 N ATOM 0 H ASN A 63 -0.525 4.010 11.387 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.569 5.136 14.125 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.578 6.467 12.106 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.086 6.837 11.697 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.315 9.497 13.981 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.814 8.790 12.441 1.00 0.00 H new ATOM 993 N SER A 64 -3.029 4.990 14.155 1.00 0.00 N ATOM 994 CA SER A 64 -4.481 4.861 14.215 1.00 0.00 C ATOM 995 C SER A 64 -5.159 5.986 13.440 1.00 0.00 C ATOM 996 O SER A 64 -6.229 5.799 12.863 1.00 0.00 O ATOM 997 CB SER A 64 -4.955 4.870 15.670 1.00 0.00 C ATOM 998 OG SER A 64 -4.875 3.576 16.241 1.00 0.00 O ATOM 0 H SER A 64 -2.569 5.010 15.065 1.00 0.00 H new ATOM 0 HA SER A 64 -4.756 3.911 13.757 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.347 5.565 16.249 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.983 5.229 15.719 1.00 0.00 H new ATOM 0 HG SER A 64 -5.182 3.609 17.171 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.526 7.155 13.432 1.00 0.00 N ATOM 1005 CA GLU A 65 -5.069 8.312 12.728 1.00 0.00 C ATOM 1006 C GLU A 65 -5.174 8.037 11.231 1.00 0.00 C ATOM 1007 O GLU A 65 -5.975 8.655 10.531 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.193 9.542 12.972 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.260 10.064 14.398 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.531 10.842 14.675 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.626 10.254 14.546 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.432 12.038 15.021 1.00 0.00 O ATOM 0 H GLU A 65 -3.638 7.326 13.904 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.069 8.505 13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.159 9.294 12.733 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.497 10.335 12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.193 9.226 15.091 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.398 10.704 14.588 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.358 7.106 10.747 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.358 6.750 9.333 1.00 0.00 C ATOM 1021 C ASN A 66 -5.671 6.081 8.940 1.00 0.00 C ATOM 1022 O ASN A 66 -6.158 5.188 9.634 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.184 5.819 9.020 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.859 6.379 9.498 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.646 7.592 9.492 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.960 5.496 9.916 1.00 0.00 N ATOM 0 H ASN A 66 -3.689 6.585 11.313 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.251 7.667 8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.357 4.851 9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.136 5.648 7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.050 5.814 10.250 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.179 4.500 9.904 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.240 6.518 7.822 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.497 5.961 7.334 1.00 0.00 C ATOM 1035 C LYS A 67 -7.571 6.038 5.812 1.00 0.00 C ATOM 1036 O LYS A 67 -7.767 7.113 5.244 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.682 6.705 7.952 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.020 6.248 9.361 1.00 0.00 C ATOM 1039 CD LYS A 67 -10.498 6.422 9.665 1.00 0.00 C ATOM 1040 CE LYS A 67 -11.310 5.227 9.188 1.00 0.00 C ATOM 1041 NZ LYS A 67 -11.745 5.382 7.772 1.00 0.00 N ATOM 0 H LYS A 67 -5.851 7.257 7.236 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.541 4.913 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.461 7.772 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.557 6.570 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.744 5.200 9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.430 6.817 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.637 6.552 10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.865 7.328 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.714 4.320 9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.186 5.105 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.647 4.884 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.869 6.392 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.023 4.979 7.141 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.416 4.892 5.158 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.468 4.830 3.702 1.00 0.00 C ATOM 1057 C VAL A 68 -8.812 5.324 3.179 1.00 0.00 C ATOM 1058 O VAL A 68 -9.861 4.775 3.516 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.227 3.396 3.192 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.196 2.426 3.851 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.353 3.342 1.677 1.00 0.00 C ATOM 0 H VAL A 68 -7.253 3.994 5.613 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.675 5.478 3.329 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.213 3.098 3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.011 1.418 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.053 2.446 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.219 2.718 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.180 2.322 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.354 3.659 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.616 4.007 1.227 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.773 6.364 2.353 1.00 0.00 N ATOM 1072 CA ASP A 69 -9.988 6.933 1.782 1.00 0.00 C ATOM 1073 C ASP A 69 -9.934 6.908 0.257 1.00 0.00 C ATOM 1074 O ASP A 69 -8.865 7.046 -0.339 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.186 8.368 2.274 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.647 8.767 2.320 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.276 8.842 1.243 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.163 9.005 3.432 1.00 0.00 O ATOM 0 H ASP A 69 -7.913 6.830 2.064 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.832 6.326 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.753 8.471 3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.646 9.052 1.619 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.093 6.731 -0.367 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.179 6.687 -1.823 1.00 0.00 C ATOM 1085 C LEU A 70 -11.810 7.963 -2.370 1.00 0.00 C ATOM 1086 O LEU A 70 -12.032 8.092 -3.575 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.992 5.470 -2.269 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.509 4.114 -1.754 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.484 3.016 -2.146 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -10.116 3.808 -2.284 1.00 0.00 C ATOM 0 H LEU A 70 -11.986 6.616 0.112 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.167 6.605 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.024 5.611 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.997 5.441 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.461 4.156 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.123 2.058 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.463 3.229 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.566 2.973 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.788 2.839 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.138 3.785 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.422 4.580 -1.951 1.00 0.00 H new ATOM 1102 N THR A 71 -12.095 8.906 -1.478 1.00 0.00 N ATOM 1103 CA THR A 71 -12.699 10.173 -1.870 1.00 0.00 C ATOM 1104 C THR A 71 -11.702 11.320 -1.746 1.00 0.00 C ATOM 1105 O THR A 71 -11.387 11.990 -2.729 1.00 0.00 O ATOM 1106 CB THR A 71 -13.940 10.492 -1.016 1.00 0.00 C ATOM 1107 OG1 THR A 71 -14.891 9.427 -1.116 1.00 0.00 O ATOM 1108 CG2 THR A 71 -14.584 11.796 -1.463 1.00 0.00 C ATOM 0 H THR A 71 -11.917 8.816 -0.478 1.00 0.00 H new ATOM 0 HA THR A 71 -13.001 10.069 -2.912 1.00 0.00 H new ATOM 0 HB THR A 71 -13.622 10.598 0.021 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.676 9.637 -0.569 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.459 12.000 -0.845 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.867 12.610 -1.358 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.888 11.713 -2.506 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.208 11.539 -0.532 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.245 12.606 -0.280 1.00 0.00 C ATOM 1118 C ASN A 72 -8.918 12.036 0.211 1.00 0.00 C ATOM 1119 O ASN A 72 -8.422 12.388 1.282 1.00 0.00 O ATOM 1120 CB ASN A 72 -10.803 13.591 0.749 1.00 0.00 C ATOM 1121 CG ASN A 72 -11.586 14.719 0.105 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.045 15.494 -0.684 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -12.868 14.815 0.439 1.00 0.00 N ATOM 0 H ASN A 72 -11.458 10.993 0.292 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.068 13.132 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.448 13.057 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.981 14.009 1.331 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.446 15.553 0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.275 14.150 1.097 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.329 11.134 -0.588 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.051 10.497 -0.256 1.00 0.00 C ATOM 1132 C PRO A 73 -5.881 11.472 -0.329 1.00 0.00 C ATOM 1133 O PRO A 73 -5.658 12.112 -1.357 1.00 0.00 O ATOM 1134 CB PRO A 73 -6.909 9.410 -1.324 1.00 0.00 C ATOM 1135 CG PRO A 73 -7.717 9.902 -2.475 1.00 0.00 C ATOM 1136 CD PRO A 73 -8.864 10.668 -1.878 1.00 0.00 C ATOM 0 HA PRO A 73 -7.039 10.115 0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.866 9.266 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.278 8.450 -0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.120 10.539 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.076 9.072 -3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.164 11.501 -2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.742 10.037 -1.744 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.137 11.580 0.767 1.00 0.00 N ATOM 1145 CA GLN A 74 -3.990 12.478 0.826 1.00 0.00 C ATOM 1146 C GLN A 74 -2.769 11.845 0.167 1.00 0.00 C ATOM 1147 O GLN A 74 -1.943 12.538 -0.428 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.671 12.838 2.278 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.666 13.808 2.897 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.109 14.515 4.117 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -3.101 14.096 4.686 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -4.765 15.594 4.526 1.00 0.00 N ATOM 0 H GLN A 74 -5.308 11.057 1.626 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.244 13.387 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.648 11.925 2.873 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.673 13.275 2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.956 14.550 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.570 13.267 3.176 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.596 15.906 4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.438 16.111 5.342 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.661 10.526 0.278 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.539 9.800 -0.305 1.00 0.00 C ATOM 1163 C TYR A 75 -2.027 8.604 -1.118 1.00 0.00 C ATOM 1164 O TYR A 75 -2.742 7.741 -0.608 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.584 9.328 0.793 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.136 10.434 1.721 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.998 11.187 1.441 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.847 10.727 2.879 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.412 12.197 2.287 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.442 11.737 3.730 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.688 12.469 3.430 1.00 0.00 C ATOM 1172 OH TYR A 75 1.096 13.476 4.275 1.00 0.00 O ATOM 0 H TYR A 75 -3.336 9.938 0.766 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.008 10.478 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.073 8.549 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.293 8.875 0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.565 10.979 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.731 10.155 3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.297 12.771 2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.007 11.952 4.625 1.00 0.00 H new ATOM 0 HH TYR A 75 0.477 13.539 5.032 1.00 0.00 H new ATOM 1182 N THR A 76 -1.635 8.561 -2.388 1.00 0.00 N ATOM 1183 CA THR A 76 -2.031 7.473 -3.273 1.00 0.00 C ATOM 1184 C THR A 76 -0.933 6.421 -3.377 1.00 0.00 C ATOM 1185 O THR A 76 0.095 6.643 -4.018 1.00 0.00 O ATOM 1186 CB THR A 76 -2.366 7.991 -4.684 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.437 8.939 -4.617 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.755 6.843 -5.604 1.00 0.00 C ATOM 0 H THR A 76 -1.044 9.267 -2.826 1.00 0.00 H new ATOM 0 HA THR A 76 -2.923 7.021 -2.839 1.00 0.00 H new ATOM 0 HB THR A 76 -1.478 8.476 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.643 9.264 -5.518 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.987 7.233 -6.595 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.927 6.138 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.630 6.334 -5.200 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.157 5.273 -2.745 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.187 4.185 -2.768 1.00 0.00 C ATOM 1198 C VAL A 77 -0.573 3.126 -3.794 1.00 0.00 C ATOM 1199 O VAL A 77 -1.438 2.287 -3.541 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.055 3.521 -1.385 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.970 4.256 -0.535 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.405 3.475 -0.686 1.00 0.00 C ATOM 0 H VAL A 77 -2.002 5.073 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 77 0.772 4.622 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 77 0.292 2.497 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.049 3.772 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.940 4.232 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.657 5.291 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.293 3.003 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.783 4.489 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.108 2.900 -1.289 1.00 0.00 H new ATOM 1212 N VAL A 78 0.073 3.171 -4.955 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.202 2.214 -6.020 1.00 0.00 C ATOM 1214 C VAL A 78 0.885 1.148 -6.095 1.00 0.00 C ATOM 1215 O VAL A 78 2.070 1.442 -5.940 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.315 2.913 -7.388 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.325 4.049 -7.325 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.045 3.423 -7.839 1.00 0.00 C ATOM 0 H VAL A 78 0.790 3.860 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.155 1.741 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.666 2.186 -8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.392 4.531 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.302 3.652 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.006 4.779 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.947 3.914 -8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.427 4.135 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.737 2.585 -7.926 1.00 0.00 H new ATOM 1228 N VAL A 79 0.474 -0.093 -6.335 1.00 0.00 N ATOM 1229 CA VAL A 79 1.413 -1.205 -6.432 1.00 0.00 C ATOM 1230 C VAL A 79 1.442 -1.778 -7.845 1.00 0.00 C ATOM 1231 O VAL A 79 0.551 -2.531 -8.237 1.00 0.00 O ATOM 1232 CB VAL A 79 1.058 -2.329 -5.441 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.170 -1.832 -4.008 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.339 -2.863 -5.720 1.00 0.00 C ATOM 0 H VAL A 79 -0.503 -0.354 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 79 2.398 -0.810 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 79 1.768 -3.145 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.915 -2.640 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.191 -1.501 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.484 -0.998 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.574 -3.657 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.065 -2.056 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.381 -3.259 -6.735 1.00 0.00 H new ATOM 1244 N GLU A 80 2.471 -1.416 -8.604 1.00 0.00 N ATOM 1245 CA GLU A 80 2.615 -1.895 -9.973 1.00 0.00 C ATOM 1246 C GLU A 80 3.533 -3.112 -10.031 1.00 0.00 C ATOM 1247 O GLU A 80 4.476 -3.229 -9.247 1.00 0.00 O ATOM 1248 CB GLU A 80 3.166 -0.784 -10.870 1.00 0.00 C ATOM 1249 CG GLU A 80 3.053 -1.088 -12.355 1.00 0.00 C ATOM 1250 CD GLU A 80 1.699 -0.715 -12.926 1.00 0.00 C ATOM 1251 OE1 GLU A 80 1.387 0.493 -12.973 1.00 0.00 O ATOM 1252 OE2 GLU A 80 0.952 -1.632 -13.326 1.00 0.00 O ATOM 0 H GLU A 80 3.217 -0.793 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 80 1.629 -2.188 -10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.633 0.142 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.213 -0.614 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.831 -0.547 -12.893 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.232 -2.151 -12.519 1.00 0.00 H new ATOM 1259 N ILE A 81 3.251 -4.015 -10.963 1.00 0.00 N ATOM 1260 CA ILE A 81 4.051 -5.223 -11.124 1.00 0.00 C ATOM 1261 C ILE A 81 4.855 -5.182 -12.419 1.00 0.00 C ATOM 1262 O ILE A 81 4.294 -5.252 -13.512 1.00 0.00 O ATOM 1263 CB ILE A 81 3.171 -6.486 -11.119 1.00 0.00 C ATOM 1264 CG1 ILE A 81 2.305 -6.526 -9.858 1.00 0.00 C ATOM 1265 CG2 ILE A 81 4.035 -7.735 -11.214 1.00 0.00 C ATOM 1266 CD1 ILE A 81 3.106 -6.580 -8.576 1.00 0.00 C ATOM 0 H ILE A 81 2.474 -3.933 -11.619 1.00 0.00 H new ATOM 0 HA ILE A 81 4.735 -5.263 -10.276 1.00 0.00 H new ATOM 0 HB ILE A 81 2.514 -6.456 -11.988 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.664 -5.645 -9.839 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.650 -7.396 -9.904 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.398 -8.619 -11.209 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.612 -7.709 -12.138 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.715 -7.773 -10.363 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.427 -6.606 -7.724 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.727 -7.475 -8.573 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.741 -5.697 -8.507 1.00 0.00 H new ATOM 1356 N CYS A 87 6.397 -2.713 -7.171 1.00 0.00 N ATOM 1357 CA CYS A 87 6.646 -1.294 -7.399 1.00 0.00 C ATOM 1358 C CYS A 87 5.631 -0.437 -6.651 1.00 0.00 C ATOM 1359 O CYS A 87 4.464 -0.358 -7.037 1.00 0.00 O ATOM 1360 CB CYS A 87 6.594 -0.980 -8.895 1.00 0.00 C ATOM 1361 SG CYS A 87 7.658 0.392 -9.399 1.00 0.00 S ATOM 0 HA CYS A 87 7.641 -1.059 -7.021 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.881 -1.872 -9.453 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.565 -0.748 -9.171 1.00 0.00 H new ATOM 0 HG CYS A 87 7.547 0.579 -10.681 1.00 0.00 H new ATOM 1367 N LEU A 88 6.082 0.203 -5.578 1.00 0.00 N ATOM 1368 CA LEU A 88 5.212 1.055 -4.773 1.00 0.00 C ATOM 1369 C LEU A 88 5.456 2.528 -5.082 1.00 0.00 C ATOM 1370 O LEU A 88 6.554 3.044 -4.873 1.00 0.00 O ATOM 1371 CB LEU A 88 5.442 0.790 -3.284 1.00 0.00 C ATOM 1372 CG LEU A 88 4.640 -0.362 -2.675 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.406 -1.669 -2.799 1.00 0.00 C ATOM 1374 CD2 LEU A 88 4.311 -0.070 -1.219 1.00 0.00 C ATOM 0 H LEU A 88 7.045 0.149 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 88 4.178 0.816 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.502 0.589 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.207 1.701 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 88 3.704 -0.460 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.820 -2.477 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.590 -1.884 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.357 -1.584 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.740 -0.900 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.235 0.055 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.721 0.844 -1.156 1.00 0.00 H new ATOM 1386 N SER A 89 4.423 3.201 -5.580 1.00 0.00 N ATOM 1387 CA SER A 89 4.525 4.616 -5.919 1.00 0.00 C ATOM 1388 C SER A 89 3.608 5.454 -5.034 1.00 0.00 C ATOM 1389 O SER A 89 2.395 5.245 -5.002 1.00 0.00 O ATOM 1390 CB SER A 89 4.172 4.835 -7.391 1.00 0.00 C ATOM 1391 OG SER A 89 5.240 4.442 -8.236 1.00 0.00 O ATOM 0 H SER A 89 3.507 2.790 -5.758 1.00 0.00 H new ATOM 0 HA SER A 89 5.554 4.933 -5.748 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.277 4.266 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.939 5.886 -7.560 1.00 0.00 H new ATOM 0 HG SER A 89 4.989 4.590 -9.172 1.00 0.00 H new ATOM 1397 N VAL A 90 4.196 6.406 -4.316 1.00 0.00 N ATOM 1398 CA VAL A 90 3.433 7.278 -3.431 1.00 0.00 C ATOM 1399 C VAL A 90 3.277 8.670 -4.032 1.00 0.00 C ATOM 1400 O VAL A 90 4.262 9.325 -4.374 1.00 0.00 O ATOM 1401 CB VAL A 90 4.103 7.399 -2.049 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.208 8.166 -1.087 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.437 6.022 -1.497 1.00 0.00 C ATOM 0 H VAL A 90 5.199 6.593 -4.330 1.00 0.00 H new ATOM 0 HA VAL A 90 2.449 6.825 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 90 5.034 7.955 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.698 8.241 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.025 9.166 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.260 7.641 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.910 6.126 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.522 5.438 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.119 5.513 -2.178 1.00 0.00 H new ATOM 1413 N VAL A 91 2.032 9.119 -4.157 1.00 0.00 N ATOM 1414 CA VAL A 91 1.746 10.435 -4.715 1.00 0.00 C ATOM 1415 C VAL A 91 0.995 11.305 -3.714 1.00 0.00 C ATOM 1416 O VAL A 91 -0.087 10.945 -3.249 1.00 0.00 O ATOM 1417 CB VAL A 91 0.916 10.328 -6.008 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.583 11.711 -6.545 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.660 9.507 -7.051 1.00 0.00 C ATOM 0 H VAL A 91 1.205 8.590 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 91 2.706 10.896 -4.945 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.020 9.819 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.004 11.615 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.008 12.262 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.506 12.249 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.060 9.441 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.612 9.986 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.842 8.505 -6.663 1.00 0.00 H new ATOM 1429 N LYS A 92 1.577 12.454 -3.384 1.00 0.00 N ATOM 1430 CA LYS A 92 0.963 13.378 -2.438 1.00 0.00 C ATOM 1431 C LYS A 92 0.207 14.483 -3.170 1.00 0.00 C ATOM 1432 O LYS A 92 0.813 15.384 -3.750 1.00 0.00 O ATOM 1433 CB LYS A 92 2.030 13.992 -1.528 1.00 0.00 C ATOM 1434 CG LYS A 92 1.455 14.791 -0.371 1.00 0.00 C ATOM 1435 CD LYS A 92 2.550 15.467 0.437 1.00 0.00 C ATOM 1436 CE LYS A 92 2.035 15.937 1.789 1.00 0.00 C ATOM 1437 NZ LYS A 92 2.859 17.049 2.340 1.00 0.00 N ATOM 0 H LYS A 92 2.473 12.767 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 92 0.253 12.818 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.660 13.196 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.673 14.641 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.766 15.544 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.878 14.131 0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.377 14.773 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.942 16.318 -0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.001 16.266 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.038 15.102 2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.476 17.341 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.841 16.727 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.836 17.856 1.684 1.00 0.00 H new