USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=30 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 83 THR OG1 : rot -27:sc= 1.69 USER MOD Set 1.2: A 85 LYS NZ :NH3+ -179:sc= 1.66 (180deg=0.296) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 GLN : amide:sc= -3.57! C(o=-3.6!,f=-2.5!) USER MOD Single : A 18 SER OG : rot -25:sc= 1.14 USER MOD Single : A 19 GLN : amide:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.134 K(o=-0.13,f=-6.1!) USER MOD Single : A 23 THR OG1 : rot -26:sc= 0.218 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0.34 (180deg=0.152) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= -0.443 (180deg=-0.799!) USER MOD Single : A 41 THR OG1 : rot 121:sc= 1.4 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 134:sc= 1.16 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -140:sc= -1.06 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= 1.65 (180deg=0.951) USER MOD Single : A 62 SER OG : rot -96:sc= -0.0867 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 0.261 (180deg=0.155) USER MOD Single : A 68 MET CE :methyl 143:sc= -0.19 (180deg=-1.07) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= -0.124 (180deg=-0.442) USER MOD Single : A 71 ASN : amide:sc= -3.31! C(o=-3.3!,f=-4.3!) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00038 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.83) USER MOD Single : A 89 THR OG1 : rot 76:sc= 0.173 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= -0.0157 (180deg=-0.113) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -13.239 3.323 8.316 1.00 0.00 N ATOM 136 CA LEU A 9 -12.211 2.473 7.815 1.00 0.00 C ATOM 137 C LEU A 9 -12.812 1.394 6.940 1.00 0.00 C ATOM 138 O LEU A 9 -13.842 0.793 7.282 1.00 0.00 O ATOM 139 CB LEU A 9 -11.265 1.908 8.953 1.00 0.00 C ATOM 140 CG LEU A 9 -11.823 0.963 10.076 1.00 0.00 C ATOM 141 CD1 LEU A 9 -13.004 1.546 10.826 1.00 0.00 C ATOM 142 CD2 LEU A 9 -12.106 -0.447 9.573 1.00 0.00 C ATOM 0 HA LEU A 9 -11.549 3.073 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.456 1.371 8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.818 2.768 9.453 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.016 0.882 10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.337 0.839 11.586 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.707 2.479 11.304 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.819 1.739 10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.489 -1.055 10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.846 -0.406 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.185 -0.889 9.193 1.00 0.00 H new ATOM 154 N GLU A 10 -12.214 1.184 5.813 1.00 0.00 N ATOM 155 CA GLU A 10 -12.684 0.203 4.885 1.00 0.00 C ATOM 156 C GLU A 10 -11.775 -0.983 4.820 1.00 0.00 C ATOM 157 O GLU A 10 -10.552 -0.845 4.718 1.00 0.00 O ATOM 158 CB GLU A 10 -12.810 0.787 3.489 1.00 0.00 C ATOM 159 CG GLU A 10 -13.877 1.830 3.331 1.00 0.00 C ATOM 160 CD GLU A 10 -15.248 1.278 3.622 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.681 0.336 2.905 1.00 0.00 O ATOM 162 OE2 GLU A 10 -15.925 1.774 4.538 1.00 0.00 O ATOM 0 H GLU A 10 -11.382 1.689 5.507 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.662 -0.115 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.852 1.223 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.010 -0.024 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.672 2.664 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.852 2.224 2.315 1.00 0.00 H new ATOM 169 N GLU A 11 -12.350 -2.136 4.912 1.00 0.00 N ATOM 170 CA GLU A 11 -11.669 -3.307 4.658 1.00 0.00 C ATOM 171 C GLU A 11 -11.714 -3.587 3.192 1.00 0.00 C ATOM 172 O GLU A 11 -12.783 -3.553 2.553 1.00 0.00 O ATOM 173 CB GLU A 11 -12.249 -4.460 5.430 1.00 0.00 C ATOM 174 CG GLU A 11 -11.666 -5.790 5.021 1.00 0.00 C ATOM 175 CD GLU A 11 -12.153 -6.913 5.876 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.576 -7.162 6.946 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.138 -7.559 5.494 1.00 0.00 O ATOM 0 H GLU A 11 -13.327 -2.265 5.173 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.635 -3.188 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.074 -4.304 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.329 -4.482 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.922 -5.991 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.579 -5.740 5.077 1.00 0.00 H new ATOM 184 N PHE A 12 -10.587 -3.805 2.665 1.00 0.00 N ATOM 185 CA PHE A 12 -10.426 -4.161 1.327 1.00 0.00 C ATOM 186 C PHE A 12 -9.723 -5.451 1.231 1.00 0.00 C ATOM 187 O PHE A 12 -8.921 -5.751 2.063 1.00 0.00 O ATOM 188 CB PHE A 12 -9.608 -3.148 0.625 1.00 0.00 C ATOM 189 CG PHE A 12 -10.318 -1.879 0.267 1.00 0.00 C ATOM 190 CD1 PHE A 12 -11.113 -1.823 -0.860 1.00 0.00 C ATOM 191 CD2 PHE A 12 -10.193 -0.736 1.050 1.00 0.00 C ATOM 192 CE1 PHE A 12 -11.769 -0.663 -1.202 1.00 0.00 C ATOM 193 CE2 PHE A 12 -10.848 0.426 0.702 1.00 0.00 C ATOM 194 CZ PHE A 12 -11.637 0.459 -0.426 1.00 0.00 C ATOM 0 H PHE A 12 -9.709 -3.737 3.179 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.415 -4.230 0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.752 -2.900 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.215 -3.594 -0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.221 -2.700 -1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.578 -0.759 1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.390 -0.636 -2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.742 1.310 1.314 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.152 1.368 -0.699 1.00 0.00 H new ATOM 204 N THR A 13 -10.013 -6.210 0.234 1.00 0.00 N ATOM 205 CA THR A 13 -9.316 -7.435 0.037 1.00 0.00 C ATOM 206 C THR A 13 -8.274 -7.189 -1.069 1.00 0.00 C ATOM 207 O THR A 13 -8.468 -6.295 -1.874 1.00 0.00 O ATOM 208 CB THR A 13 -10.276 -8.515 -0.392 1.00 0.00 C ATOM 209 OG1 THR A 13 -11.511 -8.376 0.337 1.00 0.00 O ATOM 210 CG2 THR A 13 -9.698 -9.847 -0.056 1.00 0.00 C ATOM 0 H THR A 13 -10.731 -6.005 -0.461 1.00 0.00 H new ATOM 0 HA THR A 13 -8.836 -7.760 0.960 1.00 0.00 H new ATOM 0 HB THR A 13 -10.453 -8.430 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.136 -9.077 0.058 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.389 -10.632 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.749 -9.974 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.533 -9.911 1.020 1.00 0.00 H new ATOM 218 N ALA A 14 -7.199 -7.970 -1.106 1.00 0.00 N ATOM 219 CA ALA A 14 -6.072 -7.729 -2.031 1.00 0.00 C ATOM 220 C ALA A 14 -6.467 -7.600 -3.507 1.00 0.00 C ATOM 221 O ALA A 14 -6.068 -6.643 -4.164 1.00 0.00 O ATOM 222 CB ALA A 14 -5.027 -8.803 -1.871 1.00 0.00 C ATOM 0 H ALA A 14 -7.075 -8.785 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.670 -6.756 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.202 -8.614 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.654 -8.798 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.468 -9.775 -2.092 1.00 0.00 H new ATOM 228 N GLU A 15 -7.286 -8.510 -4.008 1.00 0.00 N ATOM 229 CA GLU A 15 -7.669 -8.467 -5.425 1.00 0.00 C ATOM 230 C GLU A 15 -8.612 -7.319 -5.682 1.00 0.00 C ATOM 231 O GLU A 15 -8.630 -6.722 -6.758 1.00 0.00 O ATOM 232 CB GLU A 15 -8.304 -9.772 -5.858 1.00 0.00 C ATOM 233 CG GLU A 15 -7.398 -10.983 -5.703 1.00 0.00 C ATOM 234 CD GLU A 15 -6.134 -10.854 -6.497 1.00 0.00 C ATOM 235 OE1 GLU A 15 -6.194 -10.980 -7.731 1.00 0.00 O ATOM 236 OE2 GLU A 15 -5.061 -10.615 -5.907 1.00 0.00 O ATOM 0 H GLU A 15 -7.696 -9.276 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.763 -8.317 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.211 -9.933 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.606 -9.688 -6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.151 -11.116 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.934 -11.878 -6.020 1.00 0.00 H new ATOM 243 N GLN A 16 -9.381 -7.006 -4.685 1.00 0.00 N ATOM 244 CA GLN A 16 -10.296 -5.914 -4.755 1.00 0.00 C ATOM 245 C GLN A 16 -9.534 -4.591 -4.723 1.00 0.00 C ATOM 246 O GLN A 16 -9.808 -3.699 -5.504 1.00 0.00 O ATOM 247 CB GLN A 16 -11.367 -6.009 -3.638 1.00 0.00 C ATOM 248 CG GLN A 16 -12.439 -7.104 -3.855 1.00 0.00 C ATOM 249 CD GLN A 16 -11.907 -8.527 -3.918 1.00 0.00 C ATOM 250 OE1 GLN A 16 -11.555 -9.016 -4.980 1.00 0.00 O ATOM 251 NE2 GLN A 16 -11.906 -9.209 -2.814 1.00 0.00 N ATOM 0 H GLN A 16 -9.390 -7.505 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.834 -5.961 -5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.865 -6.195 -2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.867 -5.044 -3.551 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.168 -7.041 -3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.971 -6.891 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.206 -8.770 -1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.605 -10.184 -2.817 1.00 0.00 H new ATOM 260 N LEU A 17 -8.528 -4.521 -3.858 1.00 0.00 N ATOM 261 CA LEU A 17 -7.684 -3.337 -3.679 1.00 0.00 C ATOM 262 C LEU A 17 -6.939 -3.059 -4.998 1.00 0.00 C ATOM 263 O LEU A 17 -6.791 -1.916 -5.411 1.00 0.00 O ATOM 264 CB LEU A 17 -6.660 -3.619 -2.541 1.00 0.00 C ATOM 265 CG LEU A 17 -5.958 -2.419 -1.823 1.00 0.00 C ATOM 266 CD1 LEU A 17 -5.247 -1.491 -2.736 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.898 -1.665 -0.936 1.00 0.00 C ATOM 0 H LEU A 17 -8.269 -5.297 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.290 -2.470 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.173 -4.202 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.878 -4.255 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.191 -2.885 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.790 -0.689 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.473 -2.035 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.956 -1.066 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.367 -0.842 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.721 -1.269 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.292 -2.334 -0.171 1.00 0.00 H new ATOM 279 N SER A 18 -6.514 -4.129 -5.668 1.00 0.00 N ATOM 280 CA SER A 18 -5.776 -4.037 -6.929 1.00 0.00 C ATOM 281 C SER A 18 -6.589 -3.393 -8.054 1.00 0.00 C ATOM 282 O SER A 18 -6.049 -3.043 -9.106 1.00 0.00 O ATOM 283 CB SER A 18 -5.270 -5.417 -7.339 1.00 0.00 C ATOM 284 OG SER A 18 -4.396 -5.934 -6.340 1.00 0.00 O ATOM 0 H SER A 18 -6.671 -5.086 -5.352 1.00 0.00 H new ATOM 0 HA SER A 18 -4.926 -3.377 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.112 -6.094 -7.482 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.747 -5.353 -8.293 1.00 0.00 H new ATOM 0 HG SER A 18 -4.003 -5.193 -5.834 1.00 0.00 H new ATOM 290 N GLN A 19 -7.868 -3.231 -7.834 1.00 0.00 N ATOM 291 CA GLN A 19 -8.723 -2.613 -8.807 1.00 0.00 C ATOM 292 C GLN A 19 -8.973 -1.144 -8.447 1.00 0.00 C ATOM 293 O GLN A 19 -9.679 -0.427 -9.149 1.00 0.00 O ATOM 294 CB GLN A 19 -10.006 -3.420 -8.946 1.00 0.00 C ATOM 295 CG GLN A 19 -9.740 -4.838 -9.442 1.00 0.00 C ATOM 296 CD GLN A 19 -10.962 -5.717 -9.443 1.00 0.00 C ATOM 297 OE1 GLN A 19 -11.708 -5.772 -10.425 1.00 0.00 O ATOM 298 NE2 GLN A 19 -11.152 -6.444 -8.369 1.00 0.00 N ATOM 0 H GLN A 19 -8.342 -3.523 -6.979 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.236 -2.610 -9.782 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.513 -3.463 -7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.679 -2.914 -9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.337 -4.790 -10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.975 -5.295 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.510 -6.366 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.942 -7.088 -8.322 1.00 0.00 H new ATOM 307 N TYR A 20 -8.363 -0.711 -7.356 1.00 0.00 N ATOM 308 CA TYR A 20 -8.379 0.685 -6.910 1.00 0.00 C ATOM 309 C TYR A 20 -7.010 1.275 -7.142 1.00 0.00 C ATOM 310 O TYR A 20 -6.573 2.189 -6.457 1.00 0.00 O ATOM 311 CB TYR A 20 -8.734 0.791 -5.428 1.00 0.00 C ATOM 312 CG TYR A 20 -10.157 0.436 -5.092 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.536 -0.872 -4.902 1.00 0.00 C ATOM 314 CD2 TYR A 20 -11.120 1.426 -4.954 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.830 -1.198 -4.587 1.00 0.00 C ATOM 316 CE2 TYR A 20 -12.421 1.109 -4.638 1.00 0.00 C ATOM 317 CZ TYR A 20 -12.770 -0.207 -4.457 1.00 0.00 C ATOM 318 OH TYR A 20 -14.055 -0.531 -4.131 1.00 0.00 O ATOM 0 H TYR A 20 -7.831 -1.326 -6.740 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.136 1.228 -7.475 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.069 0.139 -4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.541 1.811 -5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.801 -1.657 -5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.844 2.460 -5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.108 -2.231 -4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.161 1.888 -4.533 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.595 0.285 -4.077 1.00 0.00 H new ATOM 328 N ASN A 21 -6.348 0.748 -8.133 1.00 0.00 N ATOM 329 CA ASN A 21 -5.036 1.213 -8.519 1.00 0.00 C ATOM 330 C ASN A 21 -5.138 2.529 -9.293 1.00 0.00 C ATOM 331 O ASN A 21 -4.161 3.244 -9.444 1.00 0.00 O ATOM 332 CB ASN A 21 -4.300 0.146 -9.337 1.00 0.00 C ATOM 333 CG ASN A 21 -4.986 -0.206 -10.649 1.00 0.00 C ATOM 334 OD1 ASN A 21 -6.213 -0.110 -10.785 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.214 -0.620 -11.607 1.00 0.00 N ATOM 0 H ASN A 21 -6.701 -0.021 -8.702 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.457 1.398 -7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.290 0.497 -9.549 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.204 -0.757 -8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.614 -0.879 -12.509 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.207 -0.686 -11.458 1.00 0.00 H new ATOM 342 N GLY A 22 -6.335 2.824 -9.789 1.00 0.00 N ATOM 343 CA GLY A 22 -6.573 4.092 -10.436 1.00 0.00 C ATOM 344 C GLY A 22 -6.411 4.084 -11.940 1.00 0.00 C ATOM 345 O GLY A 22 -6.366 5.151 -12.557 1.00 0.00 O ATOM 0 H GLY A 22 -7.143 2.203 -9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.584 4.421 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.890 4.831 -10.016 1.00 0.00 H new ATOM 349 N THR A 23 -6.343 2.918 -12.545 1.00 0.00 N ATOM 350 CA THR A 23 -6.183 2.860 -13.992 1.00 0.00 C ATOM 351 C THR A 23 -7.528 2.951 -14.671 1.00 0.00 C ATOM 352 O THR A 23 -7.624 3.141 -15.888 1.00 0.00 O ATOM 353 CB THR A 23 -5.429 1.597 -14.461 1.00 0.00 C ATOM 354 OG1 THR A 23 -5.096 1.692 -15.857 1.00 0.00 O ATOM 355 CG2 THR A 23 -6.251 0.331 -14.229 1.00 0.00 C ATOM 0 H THR A 23 -6.394 2.014 -12.076 1.00 0.00 H new ATOM 0 HA THR A 23 -5.572 3.716 -14.278 1.00 0.00 H new ATOM 0 HB THR A 23 -4.516 1.534 -13.870 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.738 2.280 -16.307 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.687 -0.537 -14.572 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.467 0.227 -13.166 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.187 0.398 -14.784 1.00 0.00 H new ATOM 363 N ASP A 24 -8.566 2.819 -13.891 1.00 0.00 N ATOM 364 CA ASP A 24 -9.888 2.965 -14.416 1.00 0.00 C ATOM 365 C ASP A 24 -10.122 4.433 -14.545 1.00 0.00 C ATOM 366 O ASP A 24 -9.285 5.239 -14.088 1.00 0.00 O ATOM 367 CB ASP A 24 -10.924 2.317 -13.493 1.00 0.00 C ATOM 368 CG ASP A 24 -12.323 2.192 -14.091 1.00 0.00 C ATOM 369 OD1 ASP A 24 -13.072 3.153 -14.060 1.00 0.00 O ATOM 370 OD2 ASP A 24 -12.684 1.095 -14.563 1.00 0.00 O ATOM 0 H ASP A 24 -8.518 2.611 -12.894 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.987 2.465 -15.379 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.572 1.323 -13.216 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.987 2.900 -12.574 1.00 0.00 H new ATOM 375 N GLU A 25 -11.198 4.819 -15.108 1.00 0.00 N ATOM 376 CA GLU A 25 -11.382 6.160 -15.319 1.00 0.00 C ATOM 377 C GLU A 25 -11.982 6.807 -14.106 1.00 0.00 C ATOM 378 O GLU A 25 -13.204 6.874 -13.947 1.00 0.00 O ATOM 379 CB GLU A 25 -12.146 6.450 -16.576 1.00 0.00 C ATOM 380 CG GLU A 25 -12.017 7.874 -16.945 1.00 0.00 C ATOM 381 CD GLU A 25 -12.607 8.212 -18.266 1.00 0.00 C ATOM 382 OE1 GLU A 25 -13.827 8.404 -18.350 1.00 0.00 O ATOM 383 OE2 GLU A 25 -11.850 8.293 -19.246 1.00 0.00 O ATOM 0 H GLU A 25 -11.953 4.211 -15.424 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.401 6.608 -15.476 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.774 5.823 -17.387 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.197 6.199 -16.435 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.497 8.482 -16.178 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.961 8.143 -16.951 1.00 0.00 H new ATOM 390 N SER A 26 -11.097 7.163 -13.212 1.00 0.00 N ATOM 391 CA SER A 26 -11.390 7.911 -12.028 1.00 0.00 C ATOM 392 C SER A 26 -12.064 7.085 -10.924 1.00 0.00 C ATOM 393 O SER A 26 -13.301 7.069 -10.783 1.00 0.00 O ATOM 394 CB SER A 26 -12.163 9.210 -12.345 1.00 0.00 C ATOM 395 OG SER A 26 -12.304 10.037 -11.201 1.00 0.00 O ATOM 0 H SER A 26 -10.109 6.926 -13.298 1.00 0.00 H new ATOM 0 HA SER A 26 -10.423 8.200 -11.616 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.641 9.760 -13.128 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.150 8.959 -12.735 1.00 0.00 H new ATOM 0 HG SER A 26 -12.797 10.849 -11.443 1.00 0.00 H new ATOM 401 N LYS A 27 -11.256 6.341 -10.204 1.00 0.00 N ATOM 402 CA LYS A 27 -11.684 5.703 -8.981 1.00 0.00 C ATOM 403 C LYS A 27 -10.655 6.058 -7.931 1.00 0.00 C ATOM 404 O LYS A 27 -9.558 6.471 -8.301 1.00 0.00 O ATOM 405 CB LYS A 27 -11.836 4.160 -9.082 1.00 0.00 C ATOM 406 CG LYS A 27 -12.833 3.658 -10.121 1.00 0.00 C ATOM 407 CD LYS A 27 -13.388 2.271 -9.743 1.00 0.00 C ATOM 408 CE LYS A 27 -12.314 1.208 -9.507 1.00 0.00 C ATOM 409 NZ LYS A 27 -11.550 0.868 -10.719 1.00 0.00 N ATOM 0 H LYS A 27 -10.283 6.161 -10.450 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.683 6.063 -8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.859 3.732 -9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.135 3.779 -8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.655 4.368 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.349 3.605 -11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.992 2.368 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.053 1.930 -10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.625 1.562 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.786 0.305 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.974 0.021 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.208 0.680 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.928 1.662 -10.972 1.00 0.00 H new ATOM 423 N PRO A 28 -10.978 5.961 -6.628 1.00 0.00 N ATOM 424 CA PRO A 28 -10.008 6.249 -5.565 1.00 0.00 C ATOM 425 C PRO A 28 -8.788 5.330 -5.669 1.00 0.00 C ATOM 426 O PRO A 28 -8.920 4.150 -6.029 1.00 0.00 O ATOM 427 CB PRO A 28 -10.786 5.965 -4.278 1.00 0.00 C ATOM 428 CG PRO A 28 -12.216 6.074 -4.668 1.00 0.00 C ATOM 429 CD PRO A 28 -12.291 5.585 -6.079 1.00 0.00 C ATOM 0 HA PRO A 28 -9.622 7.267 -5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.557 4.973 -3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.533 6.682 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.847 5.474 -4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.565 7.104 -4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.455 4.508 -6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.108 6.055 -6.627 1.00 0.00 H new ATOM 437 N ILE A 29 -7.626 5.862 -5.365 1.00 0.00 N ATOM 438 CA ILE A 29 -6.397 5.117 -5.502 1.00 0.00 C ATOM 439 C ILE A 29 -5.886 4.767 -4.122 1.00 0.00 C ATOM 440 O ILE A 29 -5.812 5.637 -3.235 1.00 0.00 O ATOM 441 CB ILE A 29 -5.255 5.889 -6.278 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.700 6.414 -7.662 1.00 0.00 C ATOM 443 CG2 ILE A 29 -4.049 4.980 -6.470 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.636 7.594 -7.641 1.00 0.00 C ATOM 0 H ILE A 29 -7.507 6.814 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.636 4.233 -6.093 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.003 6.753 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.811 6.689 -8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.183 5.599 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.268 5.520 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.672 4.666 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.343 4.102 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.884 7.880 -8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.548 7.325 -7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.154 8.432 -7.137 1.00 0.00 H new ATOM 456 N TYR A 30 -5.541 3.520 -3.921 1.00 0.00 N ATOM 457 CA TYR A 30 -5.077 3.078 -2.628 1.00 0.00 C ATOM 458 C TYR A 30 -3.805 2.284 -2.720 1.00 0.00 C ATOM 459 O TYR A 30 -3.537 1.617 -3.720 1.00 0.00 O ATOM 460 CB TYR A 30 -6.146 2.247 -1.919 1.00 0.00 C ATOM 461 CG TYR A 30 -7.445 2.975 -1.679 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.519 4.011 -0.773 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.591 2.631 -2.374 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.697 4.683 -0.559 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.773 3.302 -2.167 1.00 0.00 C ATOM 466 CZ TYR A 30 -9.818 4.328 -1.258 1.00 0.00 C ATOM 467 OH TYR A 30 -10.997 5.004 -1.043 1.00 0.00 O ATOM 0 H TYR A 30 -5.572 2.792 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.872 3.978 -2.048 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.348 1.355 -2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.750 1.910 -0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.636 4.299 -0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.556 1.823 -3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.738 5.489 0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.660 3.023 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.697 4.631 -1.618 1.00 0.00 H new ATOM 477 N VAL A 31 -3.027 2.384 -1.680 1.00 0.00 N ATOM 478 CA VAL A 31 -1.821 1.610 -1.501 1.00 0.00 C ATOM 479 C VAL A 31 -1.896 0.963 -0.144 1.00 0.00 C ATOM 480 O VAL A 31 -2.674 1.413 0.715 1.00 0.00 O ATOM 481 CB VAL A 31 -0.519 2.467 -1.547 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.260 3.067 -2.906 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.536 3.546 -0.486 1.00 0.00 C ATOM 0 H VAL A 31 -3.216 3.024 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.766 0.892 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 31 0.303 1.783 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.659 3.652 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.159 2.270 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.093 3.713 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.385 4.127 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.390 4.203 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.615 3.086 0.499 1.00 0.00 H new ATOM 493 N ALA A 32 -1.126 -0.055 0.070 1.00 0.00 N ATOM 494 CA ALA A 32 -1.115 -0.690 1.344 1.00 0.00 C ATOM 495 C ALA A 32 0.299 -0.878 1.843 1.00 0.00 C ATOM 496 O ALA A 32 1.203 -1.218 1.080 1.00 0.00 O ATOM 497 CB ALA A 32 -1.870 -2.004 1.299 1.00 0.00 C ATOM 0 H ALA A 32 -0.497 -0.463 -0.622 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.628 -0.040 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.848 -2.470 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.904 -1.820 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.402 -2.668 0.572 1.00 0.00 H new ATOM 503 N ILE A 33 0.486 -0.606 3.102 1.00 0.00 N ATOM 504 CA ILE A 33 1.748 -0.804 3.777 1.00 0.00 C ATOM 505 C ILE A 33 1.425 -1.530 5.062 1.00 0.00 C ATOM 506 O ILE A 33 0.684 -1.001 5.877 1.00 0.00 O ATOM 507 CB ILE A 33 2.441 0.558 4.126 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.662 1.411 2.882 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.775 0.342 4.839 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.337 2.728 3.185 1.00 0.00 C ATOM 0 H ILE A 33 -0.246 -0.232 3.706 1.00 0.00 H new ATOM 0 HA ILE A 33 2.431 -1.360 3.135 1.00 0.00 H new ATOM 0 HB ILE A 33 1.765 1.087 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.268 0.853 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.702 1.602 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.227 1.308 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.608 -0.207 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.443 -0.229 4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.467 3.291 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.720 3.303 3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.311 2.542 3.637 1.00 0.00 H new ATOM 522 N LYS A 34 1.922 -2.765 5.212 1.00 0.00 N ATOM 523 CA LYS A 34 1.660 -3.606 6.411 1.00 0.00 C ATOM 524 C LYS A 34 0.185 -4.017 6.447 1.00 0.00 C ATOM 525 O LYS A 34 -0.340 -4.406 7.486 1.00 0.00 O ATOM 526 CB LYS A 34 2.011 -2.860 7.715 1.00 0.00 C ATOM 527 CG LYS A 34 3.458 -2.449 7.874 1.00 0.00 C ATOM 528 CD LYS A 34 4.389 -3.631 7.991 1.00 0.00 C ATOM 529 CE LYS A 34 5.804 -3.162 8.278 1.00 0.00 C ATOM 530 NZ LYS A 34 5.879 -2.382 9.540 1.00 0.00 N ATOM 0 H LYS A 34 2.515 -3.217 4.516 1.00 0.00 H new ATOM 0 HA LYS A 34 2.294 -4.490 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.391 -1.966 7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.739 -3.495 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.755 -1.841 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.558 -1.823 8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.049 -4.292 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.371 -4.209 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.467 -4.025 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.159 -2.549 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.846 -2.021 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.215 -1.583 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.629 -2.995 10.342 1.00 0.00 H new ATOM 544 N GLY A 35 -0.461 -3.958 5.298 1.00 0.00 N ATOM 545 CA GLY A 35 -1.870 -4.253 5.205 1.00 0.00 C ATOM 546 C GLY A 35 -2.730 -3.072 5.600 1.00 0.00 C ATOM 547 O GLY A 35 -3.950 -3.197 5.744 1.00 0.00 O ATOM 0 H GLY A 35 -0.024 -3.706 4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.110 -4.550 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.105 -5.102 5.847 1.00 0.00 H new ATOM 551 N ARG A 36 -2.101 -1.935 5.794 1.00 0.00 N ATOM 552 CA ARG A 36 -2.790 -0.716 6.130 1.00 0.00 C ATOM 553 C ARG A 36 -2.987 0.055 4.853 1.00 0.00 C ATOM 554 O ARG A 36 -2.026 0.305 4.131 1.00 0.00 O ATOM 555 CB ARG A 36 -1.946 0.105 7.103 1.00 0.00 C ATOM 556 CG ARG A 36 -1.601 -0.625 8.391 1.00 0.00 C ATOM 557 CD ARG A 36 -0.648 0.186 9.249 1.00 0.00 C ATOM 558 NE ARG A 36 -1.210 1.483 9.633 1.00 0.00 N ATOM 559 CZ ARG A 36 -0.580 2.382 10.399 1.00 0.00 C ATOM 560 NH1 ARG A 36 0.680 2.177 10.777 1.00 0.00 N ATOM 561 NH2 ARG A 36 -1.206 3.487 10.771 1.00 0.00 N ATOM 0 H ARG A 36 -1.089 -1.833 5.722 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.748 -0.932 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.022 0.400 6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.482 1.021 7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.514 -0.829 8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.150 -1.589 8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.400 -0.380 10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.283 0.343 8.704 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.143 1.717 9.294 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.170 1.332 10.483 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.156 2.865 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.168 3.653 10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.727 4.173 11.355 1.00 0.00 H new ATOM 575 N VAL A 37 -4.201 0.408 4.565 1.00 0.00 N ATOM 576 CA VAL A 37 -4.514 1.092 3.335 1.00 0.00 C ATOM 577 C VAL A 37 -4.508 2.591 3.517 1.00 0.00 C ATOM 578 O VAL A 37 -5.220 3.129 4.356 1.00 0.00 O ATOM 579 CB VAL A 37 -5.866 0.622 2.748 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.236 1.426 1.524 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.770 -0.829 2.371 1.00 0.00 C ATOM 0 H VAL A 37 -5.005 0.234 5.169 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.731 0.835 2.622 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.636 0.766 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.190 1.074 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.320 2.479 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.465 1.306 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.722 -1.161 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.985 -0.960 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.533 -1.420 3.256 1.00 0.00 H new ATOM 591 N PHE A 38 -3.698 3.243 2.739 1.00 0.00 N ATOM 592 CA PHE A 38 -3.584 4.680 2.748 1.00 0.00 C ATOM 593 C PHE A 38 -4.245 5.226 1.487 1.00 0.00 C ATOM 594 O PHE A 38 -4.122 4.621 0.407 1.00 0.00 O ATOM 595 CB PHE A 38 -2.107 5.096 2.756 1.00 0.00 C ATOM 596 CG PHE A 38 -1.299 4.707 3.983 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.934 3.385 4.223 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.870 5.676 4.873 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.170 3.050 5.322 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.110 5.342 5.974 1.00 0.00 C ATOM 601 CZ PHE A 38 0.242 4.027 6.198 1.00 0.00 C ATOM 0 H PHE A 38 -3.083 2.787 2.065 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.069 5.076 3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.626 4.662 1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.057 6.179 2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.253 2.612 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.134 6.709 4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.105 2.020 5.494 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.210 6.111 6.662 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.839 3.765 7.059 1.00 0.00 H new ATOM 611 N ASP A 39 -4.943 6.339 1.609 1.00 0.00 N ATOM 612 CA ASP A 39 -5.583 6.957 0.443 1.00 0.00 C ATOM 613 C ASP A 39 -4.597 7.838 -0.275 1.00 0.00 C ATOM 614 O ASP A 39 -4.141 8.844 0.271 1.00 0.00 O ATOM 615 CB ASP A 39 -6.824 7.784 0.830 1.00 0.00 C ATOM 616 CG ASP A 39 -7.507 8.442 -0.380 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.006 9.477 -0.881 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.554 7.933 -0.844 1.00 0.00 O ATOM 0 H ASP A 39 -5.086 6.836 2.488 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.912 6.150 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.540 7.138 1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.532 8.557 1.540 1.00 0.00 H new ATOM 623 N VAL A 40 -4.267 7.464 -1.482 1.00 0.00 N ATOM 624 CA VAL A 40 -3.342 8.225 -2.300 1.00 0.00 C ATOM 625 C VAL A 40 -4.064 8.813 -3.497 1.00 0.00 C ATOM 626 O VAL A 40 -3.450 9.141 -4.516 1.00 0.00 O ATOM 627 CB VAL A 40 -2.126 7.378 -2.779 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.220 7.017 -1.624 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.580 6.119 -3.482 1.00 0.00 C ATOM 0 H VAL A 40 -4.629 6.623 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.950 9.026 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.566 7.992 -3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.381 6.426 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.846 7.928 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.779 6.436 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.709 5.548 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.176 5.515 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.182 6.384 -4.351 1.00 0.00 H new ATOM 639 N THR A 41 -5.366 9.003 -3.341 1.00 0.00 N ATOM 640 CA THR A 41 -6.194 9.565 -4.385 1.00 0.00 C ATOM 641 C THR A 41 -5.812 11.049 -4.608 1.00 0.00 C ATOM 642 O THR A 41 -6.040 11.619 -5.683 1.00 0.00 O ATOM 643 CB THR A 41 -7.688 9.436 -4.009 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.961 8.069 -3.643 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.582 9.814 -5.184 1.00 0.00 C ATOM 0 H THR A 41 -5.873 8.771 -2.487 1.00 0.00 H new ATOM 0 HA THR A 41 -6.028 9.016 -5.312 1.00 0.00 H new ATOM 0 HB THR A 41 -7.896 10.110 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.301 8.038 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.628 9.714 -4.892 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.383 10.845 -5.475 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.376 9.153 -6.026 1.00 0.00 H new ATOM 653 N THR A 42 -5.219 11.642 -3.585 1.00 0.00 N ATOM 654 CA THR A 42 -4.708 12.984 -3.643 1.00 0.00 C ATOM 655 C THR A 42 -3.476 13.032 -4.548 1.00 0.00 C ATOM 656 O THR A 42 -3.401 13.838 -5.479 1.00 0.00 O ATOM 657 CB THR A 42 -4.338 13.442 -2.234 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.594 12.384 -1.596 1.00 0.00 O ATOM 659 CG2 THR A 42 -5.579 13.766 -1.420 1.00 0.00 C ATOM 0 H THR A 42 -5.081 11.190 -2.681 1.00 0.00 H new ATOM 0 HA THR A 42 -5.470 13.647 -4.052 1.00 0.00 H new ATOM 0 HB THR A 42 -3.737 14.349 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.345 12.660 -0.689 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.285 14.089 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.137 14.564 -1.910 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.206 12.878 -1.344 1.00 0.00 H new ATOM 667 N GLY A 43 -2.538 12.137 -4.292 1.00 0.00 N ATOM 668 CA GLY A 43 -1.339 12.032 -5.095 1.00 0.00 C ATOM 669 C GLY A 43 -1.549 11.084 -6.254 1.00 0.00 C ATOM 670 O GLY A 43 -0.710 10.232 -6.546 1.00 0.00 O ATOM 0 H GLY A 43 -2.588 11.467 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.060 13.017 -5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.512 11.681 -4.478 1.00 0.00 H new ATOM 674 N LYS A 44 -2.665 11.248 -6.917 1.00 0.00 N ATOM 675 CA LYS A 44 -3.083 10.424 -7.999 1.00 0.00 C ATOM 676 C LYS A 44 -2.100 10.467 -9.167 1.00 0.00 C ATOM 677 O LYS A 44 -1.875 9.461 -9.820 1.00 0.00 O ATOM 678 CB LYS A 44 -4.442 10.882 -8.416 1.00 0.00 C ATOM 679 CG LYS A 44 -5.004 10.178 -9.601 1.00 0.00 C ATOM 680 CD LYS A 44 -6.397 10.654 -9.882 1.00 0.00 C ATOM 681 CE LYS A 44 -6.490 12.171 -10.008 1.00 0.00 C ATOM 682 NZ LYS A 44 -7.854 12.632 -10.334 1.00 0.00 N ATOM 0 H LYS A 44 -3.328 11.993 -6.701 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.114 9.383 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.126 10.754 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.399 11.950 -8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.371 10.354 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.010 9.103 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.754 10.195 -10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.058 10.319 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.170 12.630 -9.073 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.801 12.510 -10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.861 13.669 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.153 12.218 -11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.510 12.334 -9.584 1.00 0.00 H new ATOM 696 N SER A 45 -1.521 11.618 -9.408 1.00 0.00 N ATOM 697 CA SER A 45 -0.506 11.791 -10.450 1.00 0.00 C ATOM 698 C SER A 45 0.711 10.869 -10.210 1.00 0.00 C ATOM 699 O SER A 45 1.455 10.550 -11.137 1.00 0.00 O ATOM 700 CB SER A 45 -0.053 13.247 -10.491 1.00 0.00 C ATOM 701 OG SER A 45 -1.158 14.114 -10.704 1.00 0.00 O ATOM 0 H SER A 45 -1.733 12.472 -8.892 1.00 0.00 H new ATOM 0 HA SER A 45 -0.952 11.518 -11.406 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.442 13.505 -9.555 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.680 13.382 -11.287 1.00 0.00 H new ATOM 0 HG SER A 45 -0.846 15.043 -10.725 1.00 0.00 H new ATOM 707 N PHE A 46 0.886 10.434 -8.978 1.00 0.00 N ATOM 708 CA PHE A 46 1.987 9.573 -8.629 1.00 0.00 C ATOM 709 C PHE A 46 1.602 8.101 -8.747 1.00 0.00 C ATOM 710 O PHE A 46 2.384 7.288 -9.228 1.00 0.00 O ATOM 711 CB PHE A 46 2.463 9.850 -7.197 1.00 0.00 C ATOM 712 CG PHE A 46 2.958 11.244 -6.946 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.281 11.572 -7.181 1.00 0.00 C ATOM 714 CD2 PHE A 46 2.105 12.222 -6.459 1.00 0.00 C ATOM 715 CE1 PHE A 46 4.745 12.845 -6.937 1.00 0.00 C ATOM 716 CE2 PHE A 46 2.563 13.498 -6.216 1.00 0.00 C ATOM 717 CZ PHE A 46 3.885 13.809 -6.455 1.00 0.00 C ATOM 0 H PHE A 46 0.271 10.668 -8.199 1.00 0.00 H new ATOM 0 HA PHE A 46 2.794 9.786 -9.330 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.640 9.645 -6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.262 9.149 -6.955 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.958 10.821 -7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.070 11.981 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.781 13.088 -7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.889 14.253 -5.839 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.247 14.808 -6.264 1.00 0.00 H new ATOM 727 N TYR A 47 0.409 7.762 -8.294 1.00 0.00 N ATOM 728 CA TYR A 47 -0.008 6.367 -8.239 1.00 0.00 C ATOM 729 C TYR A 47 -1.048 5.972 -9.325 1.00 0.00 C ATOM 730 O TYR A 47 -0.808 5.047 -10.112 1.00 0.00 O ATOM 731 CB TYR A 47 -0.585 6.089 -6.839 1.00 0.00 C ATOM 732 CG TYR A 47 0.376 6.414 -5.704 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.441 7.700 -5.182 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.216 5.454 -5.170 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.313 8.021 -4.170 1.00 0.00 C ATOM 736 CE2 TYR A 47 2.094 5.769 -4.143 1.00 0.00 C ATOM 737 CZ TYR A 47 2.136 7.059 -3.653 1.00 0.00 C ATOM 738 OH TYR A 47 3.010 7.386 -2.646 1.00 0.00 O ATOM 0 H TYR A 47 -0.288 8.428 -7.960 1.00 0.00 H new ATOM 0 HA TYR A 47 0.874 5.759 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.497 6.672 -6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.867 5.038 -6.774 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.209 8.465 -5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.188 4.446 -5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.348 9.029 -3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.741 5.009 -3.729 1.00 0.00 H new ATOM 0 HH TYR A 47 2.970 6.704 -1.944 1.00 0.00 H new ATOM 748 N GLY A 48 -2.147 6.722 -9.381 1.00 0.00 N ATOM 749 CA GLY A 48 -3.346 6.361 -10.144 1.00 0.00 C ATOM 750 C GLY A 48 -3.198 5.957 -11.607 1.00 0.00 C ATOM 751 O GLY A 48 -3.328 4.783 -11.942 1.00 0.00 O ATOM 0 H GLY A 48 -2.233 7.612 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.832 5.536 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.029 7.210 -10.105 1.00 0.00 H new ATOM 755 N SER A 49 -2.909 6.898 -12.470 1.00 0.00 N ATOM 756 CA SER A 49 -3.000 6.646 -13.906 1.00 0.00 C ATOM 757 C SER A 49 -1.694 6.143 -14.495 1.00 0.00 C ATOM 758 O SER A 49 -1.552 6.026 -15.717 1.00 0.00 O ATOM 759 CB SER A 49 -3.451 7.908 -14.616 1.00 0.00 C ATOM 760 OG SER A 49 -4.685 8.381 -14.075 1.00 0.00 O ATOM 0 H SER A 49 -2.611 7.840 -12.218 1.00 0.00 H new ATOM 0 HA SER A 49 -3.735 5.855 -14.055 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.687 8.679 -14.518 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.568 7.709 -15.681 1.00 0.00 H new ATOM 0 HG SER A 49 -4.957 9.196 -14.546 1.00 0.00 H new ATOM 766 N GLY A 50 -0.758 5.839 -13.650 1.00 0.00 N ATOM 767 CA GLY A 50 0.482 5.325 -14.126 1.00 0.00 C ATOM 768 C GLY A 50 1.606 6.266 -13.875 1.00 0.00 C ATOM 769 O GLY A 50 2.376 6.589 -14.785 1.00 0.00 O ATOM 0 H GLY A 50 -0.830 5.938 -12.637 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.691 4.372 -13.639 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.406 5.127 -15.195 1.00 0.00 H new ATOM 773 N GLY A 51 1.698 6.730 -12.653 1.00 0.00 N ATOM 774 CA GLY A 51 2.764 7.602 -12.283 1.00 0.00 C ATOM 775 C GLY A 51 4.026 6.816 -11.973 1.00 0.00 C ATOM 776 O GLY A 51 4.118 5.622 -12.292 1.00 0.00 O ATOM 0 H GLY A 51 1.042 6.513 -11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.959 8.307 -13.091 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.473 8.189 -11.412 1.00 0.00 H new ATOM 780 N ASP A 52 4.971 7.445 -11.330 1.00 0.00 N ATOM 781 CA ASP A 52 6.235 6.783 -10.989 1.00 0.00 C ATOM 782 C ASP A 52 6.013 5.755 -9.884 1.00 0.00 C ATOM 783 O ASP A 52 6.701 4.738 -9.797 1.00 0.00 O ATOM 784 CB ASP A 52 7.286 7.817 -10.551 1.00 0.00 C ATOM 785 CG ASP A 52 8.623 7.188 -10.222 1.00 0.00 C ATOM 786 OD1 ASP A 52 9.371 6.830 -11.163 1.00 0.00 O ATOM 787 OD2 ASP A 52 8.956 7.051 -9.033 1.00 0.00 O ATOM 0 H ASP A 52 4.906 8.416 -11.024 1.00 0.00 H new ATOM 0 HA ASP A 52 6.605 6.269 -11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.420 8.551 -11.345 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.918 8.356 -9.678 1.00 0.00 H new ATOM 792 N TYR A 53 5.009 6.006 -9.082 1.00 0.00 N ATOM 793 CA TYR A 53 4.679 5.160 -7.959 1.00 0.00 C ATOM 794 C TYR A 53 3.475 4.286 -8.282 1.00 0.00 C ATOM 795 O TYR A 53 2.851 3.719 -7.392 1.00 0.00 O ATOM 796 CB TYR A 53 4.399 6.019 -6.727 1.00 0.00 C ATOM 797 CG TYR A 53 5.586 6.824 -6.263 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.486 6.293 -5.355 1.00 0.00 C ATOM 799 CD2 TYR A 53 5.813 8.107 -6.739 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.576 7.015 -4.929 1.00 0.00 C ATOM 801 CE2 TYR A 53 6.903 8.836 -6.321 1.00 0.00 C ATOM 802 CZ TYR A 53 7.782 8.285 -5.415 1.00 0.00 C ATOM 803 OH TYR A 53 8.884 9.005 -5.005 1.00 0.00 O ATOM 0 H TYR A 53 4.391 6.810 -9.190 1.00 0.00 H new ATOM 0 HA TYR A 53 5.527 4.507 -7.751 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.576 6.698 -6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.069 5.373 -5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.329 5.294 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.124 8.541 -7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.266 6.587 -4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.068 9.833 -6.701 1.00 0.00 H new ATOM 0 HH TYR A 53 8.883 9.882 -5.442 1.00 0.00 H new ATOM 813 N SER A 54 3.194 4.137 -9.565 1.00 0.00 N ATOM 814 CA SER A 54 2.061 3.349 -10.051 1.00 0.00 C ATOM 815 C SER A 54 2.163 1.877 -9.604 1.00 0.00 C ATOM 816 O SER A 54 1.149 1.173 -9.502 1.00 0.00 O ATOM 817 CB SER A 54 2.006 3.433 -11.578 1.00 0.00 C ATOM 818 OG SER A 54 0.867 2.780 -12.111 1.00 0.00 O ATOM 0 H SER A 54 3.747 4.561 -10.310 1.00 0.00 H new ATOM 0 HA SER A 54 1.146 3.760 -9.624 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.998 4.480 -11.882 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.908 2.986 -11.997 1.00 0.00 H new ATOM 0 HG SER A 54 1.117 2.300 -12.928 1.00 0.00 H new ATOM 824 N MET A 55 3.382 1.434 -9.305 1.00 0.00 N ATOM 825 CA MET A 55 3.624 0.049 -8.903 1.00 0.00 C ATOM 826 C MET A 55 2.991 -0.209 -7.564 1.00 0.00 C ATOM 827 O MET A 55 2.499 -1.281 -7.309 1.00 0.00 O ATOM 828 CB MET A 55 5.117 -0.242 -8.778 1.00 0.00 C ATOM 829 CG MET A 55 5.932 0.257 -9.927 1.00 0.00 C ATOM 830 SD MET A 55 5.341 -0.318 -11.528 1.00 0.00 S ATOM 831 CE MET A 55 6.480 0.537 -12.618 1.00 0.00 C ATOM 0 H MET A 55 4.220 2.015 -9.333 1.00 0.00 H new ATOM 0 HA MET A 55 3.193 -0.594 -9.670 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.489 0.210 -7.859 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.260 -1.318 -8.685 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.930 1.347 -9.918 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.966 -0.061 -9.794 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.249 0.287 -13.654 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.383 1.613 -12.474 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.501 0.231 -12.390 1.00 0.00 H new ATOM 841 N PHE A 56 2.977 0.815 -6.738 1.00 0.00 N ATOM 842 CA PHE A 56 2.488 0.733 -5.372 1.00 0.00 C ATOM 843 C PHE A 56 0.967 0.706 -5.350 1.00 0.00 C ATOM 844 O PHE A 56 0.356 0.220 -4.404 1.00 0.00 O ATOM 845 CB PHE A 56 2.988 1.950 -4.569 1.00 0.00 C ATOM 846 CG PHE A 56 4.493 2.082 -4.476 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.235 2.558 -5.545 1.00 0.00 C ATOM 848 CD2 PHE A 56 5.155 1.742 -3.319 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.604 2.687 -5.457 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.522 1.865 -3.221 1.00 0.00 C ATOM 851 CZ PHE A 56 7.250 2.338 -4.292 1.00 0.00 C ATOM 0 H PHE A 56 3.309 1.744 -6.997 1.00 0.00 H new ATOM 0 HA PHE A 56 2.864 -0.186 -4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.587 2.856 -5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.581 1.892 -3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.733 2.832 -6.461 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.593 1.373 -2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.168 3.060 -6.299 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.025 1.591 -2.305 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.323 2.434 -4.218 1.00 0.00 H new ATOM 861 N ALA A 57 0.373 1.208 -6.411 1.00 0.00 N ATOM 862 CA ALA A 57 -1.061 1.338 -6.500 1.00 0.00 C ATOM 863 C ALA A 57 -1.768 -0.014 -6.530 1.00 0.00 C ATOM 864 O ALA A 57 -1.397 -0.923 -7.301 1.00 0.00 O ATOM 865 CB ALA A 57 -1.444 2.177 -7.710 1.00 0.00 C ATOM 0 H ALA A 57 0.874 1.537 -7.236 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.396 1.847 -5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.529 2.265 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.003 3.170 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.075 1.698 -8.617 1.00 0.00 H new ATOM 871 N GLY A 58 -2.745 -0.147 -5.656 1.00 0.00 N ATOM 872 CA GLY A 58 -3.595 -1.307 -5.601 1.00 0.00 C ATOM 873 C GLY A 58 -2.947 -2.519 -4.993 1.00 0.00 C ATOM 874 O GLY A 58 -3.469 -3.625 -5.109 1.00 0.00 O ATOM 0 H GLY A 58 -2.970 0.561 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.489 -1.061 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.922 -1.552 -6.612 1.00 0.00 H new ATOM 878 N LYS A 59 -1.837 -2.346 -4.348 1.00 0.00 N ATOM 879 CA LYS A 59 -1.178 -3.474 -3.763 1.00 0.00 C ATOM 880 C LYS A 59 -0.485 -3.089 -2.498 1.00 0.00 C ATOM 881 O LYS A 59 -0.321 -1.894 -2.206 1.00 0.00 O ATOM 882 CB LYS A 59 -0.210 -4.133 -4.764 1.00 0.00 C ATOM 883 CG LYS A 59 0.901 -3.262 -5.268 1.00 0.00 C ATOM 884 CD LYS A 59 1.675 -3.988 -6.369 1.00 0.00 C ATOM 885 CE LYS A 59 0.844 -4.206 -7.628 1.00 0.00 C ATOM 886 NZ LYS A 59 0.400 -2.923 -8.240 1.00 0.00 N ATOM 0 H LYS A 59 -1.372 -1.448 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.936 -4.215 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.229 -5.012 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.786 -4.485 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.495 -2.327 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.573 -3.004 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.565 -3.412 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.016 -4.952 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.430 -4.769 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.029 -4.811 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.194 -3.072 -9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.458 -2.587 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.153 -2.213 -8.142 1.00 0.00 H new ATOM 900 N ASP A 60 -0.104 -4.072 -1.731 1.00 0.00 N ATOM 901 CA ASP A 60 0.680 -3.806 -0.567 1.00 0.00 C ATOM 902 C ASP A 60 2.096 -3.727 -1.028 1.00 0.00 C ATOM 903 O ASP A 60 2.603 -4.644 -1.680 1.00 0.00 O ATOM 904 CB ASP A 60 0.520 -4.875 0.508 1.00 0.00 C ATOM 905 CG ASP A 60 1.270 -4.518 1.789 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.502 -4.501 1.780 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.629 -4.290 2.834 1.00 0.00 O ATOM 0 H ASP A 60 -0.323 -5.055 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 60 0.351 -2.877 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.538 -5.007 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.886 -5.829 0.128 1.00 0.00 H new ATOM 912 N ALA A 61 2.715 -2.653 -0.734 1.00 0.00 N ATOM 913 CA ALA A 61 4.011 -2.390 -1.236 1.00 0.00 C ATOM 914 C ALA A 61 5.035 -2.348 -0.137 1.00 0.00 C ATOM 915 O ALA A 61 6.116 -1.795 -0.327 1.00 0.00 O ATOM 916 CB ALA A 61 3.974 -1.079 -1.978 1.00 0.00 C ATOM 0 H ALA A 61 2.337 -1.921 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 61 4.305 -3.196 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.965 -0.857 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.261 -1.146 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.669 -0.284 -1.297 1.00 0.00 H new ATOM 922 N SER A 62 4.739 -2.973 0.993 1.00 0.00 N ATOM 923 CA SER A 62 5.656 -2.936 2.108 1.00 0.00 C ATOM 924 C SER A 62 7.043 -3.521 1.758 1.00 0.00 C ATOM 925 O SER A 62 8.073 -2.954 2.134 1.00 0.00 O ATOM 926 CB SER A 62 5.045 -3.535 3.388 1.00 0.00 C ATOM 927 OG SER A 62 4.567 -4.848 3.185 1.00 0.00 O ATOM 0 H SER A 62 3.883 -3.503 1.155 1.00 0.00 H new ATOM 0 HA SER A 62 5.834 -1.884 2.330 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.795 -3.541 4.179 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.227 -2.901 3.730 1.00 0.00 H new ATOM 0 HG SER A 62 3.606 -4.821 2.997 1.00 0.00 H new ATOM 933 N ARG A 63 7.076 -4.616 1.005 1.00 0.00 N ATOM 934 CA ARG A 63 8.352 -5.179 0.585 1.00 0.00 C ATOM 935 C ARG A 63 9.075 -4.242 -0.394 1.00 0.00 C ATOM 936 O ARG A 63 10.288 -4.096 -0.338 1.00 0.00 O ATOM 937 CB ARG A 63 8.184 -6.585 -0.013 1.00 0.00 C ATOM 938 CG ARG A 63 9.470 -7.163 -0.581 1.00 0.00 C ATOM 939 CD ARG A 63 9.292 -8.569 -1.114 1.00 0.00 C ATOM 940 NE ARG A 63 10.504 -9.028 -1.813 1.00 0.00 N ATOM 941 CZ ARG A 63 11.000 -10.265 -1.802 1.00 0.00 C ATOM 942 NH1 ARG A 63 10.458 -11.205 -1.046 1.00 0.00 N ATOM 943 NH2 ARG A 63 12.053 -10.546 -2.550 1.00 0.00 N ATOM 0 H ARG A 63 6.252 -5.121 0.679 1.00 0.00 H new ATOM 0 HA ARG A 63 8.973 -5.278 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.804 -7.255 0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.433 -6.548 -0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.831 -6.518 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.236 -7.167 0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.064 -9.247 -0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.442 -8.598 -1.796 1.00 0.00 H new ATOM 0 HE ARG A 63 11.013 -8.332 -2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.651 -10.987 -0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.847 -12.148 -1.047 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.477 -9.820 -3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.442 -11.489 -2.550 1.00 0.00 H new ATOM 957 N ALA A 64 8.311 -3.541 -1.212 1.00 0.00 N ATOM 958 CA ALA A 64 8.866 -2.673 -2.252 1.00 0.00 C ATOM 959 C ALA A 64 9.520 -1.502 -1.598 1.00 0.00 C ATOM 960 O ALA A 64 10.521 -0.988 -2.064 1.00 0.00 O ATOM 961 CB ALA A 64 7.775 -2.196 -3.196 1.00 0.00 C ATOM 0 H ALA A 64 7.292 -3.552 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 64 9.596 -3.233 -2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.211 -1.553 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.304 -3.056 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.027 -1.637 -2.634 1.00 0.00 H new ATOM 967 N LEU A 65 8.935 -1.110 -0.508 1.00 0.00 N ATOM 968 CA LEU A 65 9.414 -0.056 0.319 1.00 0.00 C ATOM 969 C LEU A 65 10.751 -0.399 0.967 1.00 0.00 C ATOM 970 O LEU A 65 11.667 0.417 0.979 1.00 0.00 O ATOM 971 CB LEU A 65 8.361 0.258 1.370 1.00 0.00 C ATOM 972 CG LEU A 65 7.088 0.944 0.877 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.116 1.149 2.011 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.432 2.265 0.284 1.00 0.00 C ATOM 0 H LEU A 65 8.076 -1.536 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 65 9.590 0.823 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.078 -0.674 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.817 0.891 2.131 1.00 0.00 H new ATOM 0 HG LEU A 65 6.622 0.306 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.217 1.639 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.850 0.183 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.577 1.773 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.523 2.754 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.911 2.889 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.114 2.121 -0.554 1.00 0.00 H new ATOM 986 N GLY A 66 10.866 -1.608 1.479 1.00 0.00 N ATOM 987 CA GLY A 66 12.085 -2.003 2.157 1.00 0.00 C ATOM 988 C GLY A 66 13.200 -2.325 1.209 1.00 0.00 C ATOM 989 O GLY A 66 14.361 -1.986 1.452 1.00 0.00 O ATOM 0 H GLY A 66 10.142 -2.325 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.401 -1.200 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.882 -2.873 2.781 1.00 0.00 H new ATOM 993 N LYS A 67 12.859 -2.970 0.128 1.00 0.00 N ATOM 994 CA LYS A 67 13.841 -3.367 -0.864 1.00 0.00 C ATOM 995 C LYS A 67 14.217 -2.174 -1.716 1.00 0.00 C ATOM 996 O LYS A 67 15.349 -2.061 -2.186 1.00 0.00 O ATOM 997 CB LYS A 67 13.256 -4.463 -1.753 1.00 0.00 C ATOM 998 CG LYS A 67 12.731 -5.671 -0.987 1.00 0.00 C ATOM 999 CD LYS A 67 13.821 -6.454 -0.272 1.00 0.00 C ATOM 1000 CE LYS A 67 14.772 -7.098 -1.246 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.808 -7.902 -0.547 1.00 0.00 N ATOM 0 H LYS A 67 11.901 -3.238 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 67 14.730 -3.744 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.444 -4.041 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.022 -4.795 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.995 -5.336 -0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.213 -6.334 -1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.374 -5.787 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.367 -7.221 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.215 -7.737 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.253 -6.328 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.259 -8.551 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.527 -7.267 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.364 -8.451 0.217 1.00 0.00 H new ATOM 1015 N MET A 68 13.252 -1.286 -1.875 1.00 0.00 N ATOM 1016 CA MET A 68 13.347 -0.103 -2.704 1.00 0.00 C ATOM 1017 C MET A 68 13.423 -0.545 -4.112 1.00 0.00 C ATOM 1018 O MET A 68 14.425 -0.370 -4.811 1.00 0.00 O ATOM 1019 CB MET A 68 14.486 0.838 -2.321 1.00 0.00 C ATOM 1020 CG MET A 68 14.404 1.311 -0.892 1.00 0.00 C ATOM 1021 SD MET A 68 15.636 2.562 -0.501 1.00 0.00 S ATOM 1022 CE MET A 68 15.182 3.856 -1.653 1.00 0.00 C ATOM 0 H MET A 68 12.348 -1.375 -1.412 1.00 0.00 H new ATOM 0 HA MET A 68 12.456 0.505 -2.547 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.438 0.329 -2.476 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.475 1.702 -2.985 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.409 1.716 -0.704 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.533 0.459 -0.224 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.322 4.829 -1.181 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.811 3.790 -2.541 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.137 3.738 -1.939 1.00 0.00 H new ATOM 1032 N SER A 69 12.387 -1.208 -4.489 1.00 0.00 N ATOM 1033 CA SER A 69 12.273 -1.826 -5.747 1.00 0.00 C ATOM 1034 C SER A 69 10.884 -1.604 -6.283 1.00 0.00 C ATOM 1035 O SER A 69 9.899 -1.823 -5.584 1.00 0.00 O ATOM 1036 CB SER A 69 12.527 -3.299 -5.552 1.00 0.00 C ATOM 1037 OG SER A 69 13.818 -3.515 -4.988 1.00 0.00 O ATOM 0 H SER A 69 11.565 -1.335 -3.898 1.00 0.00 H new ATOM 0 HA SER A 69 12.989 -1.411 -6.457 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.764 -3.722 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.451 -3.816 -6.508 1.00 0.00 H new ATOM 0 HG SER A 69 13.965 -4.476 -4.867 1.00 0.00 H new ATOM 1043 N LYS A 70 10.812 -1.157 -7.493 1.00 0.00 N ATOM 1044 CA LYS A 70 9.557 -0.870 -8.133 1.00 0.00 C ATOM 1045 C LYS A 70 9.127 -2.028 -9.004 1.00 0.00 C ATOM 1046 O LYS A 70 8.025 -2.033 -9.555 1.00 0.00 O ATOM 1047 CB LYS A 70 9.712 0.387 -8.938 1.00 0.00 C ATOM 1048 CG LYS A 70 10.039 1.591 -8.076 1.00 0.00 C ATOM 1049 CD LYS A 70 10.450 2.785 -8.925 1.00 0.00 C ATOM 1050 CE LYS A 70 9.385 3.132 -9.956 1.00 0.00 C ATOM 1051 NZ LYS A 70 9.817 4.207 -10.860 1.00 0.00 N ATOM 0 H LYS A 70 11.628 -0.976 -8.077 1.00 0.00 H new ATOM 0 HA LYS A 70 8.780 -0.726 -7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.502 0.247 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.791 0.578 -9.489 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.171 1.854 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.844 1.339 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.628 3.646 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.390 2.566 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.144 2.244 -10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.471 3.435 -9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.059 4.913 -10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.671 4.661 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.028 3.809 -11.797 1.00 0.00 H new ATOM 1065 N ASN A 71 10.004 -2.993 -9.140 1.00 0.00 N ATOM 1066 CA ASN A 71 9.706 -4.205 -9.863 1.00 0.00 C ATOM 1067 C ASN A 71 8.628 -4.994 -9.120 1.00 0.00 C ATOM 1068 O ASN A 71 8.698 -5.161 -7.896 1.00 0.00 O ATOM 1069 CB ASN A 71 10.993 -5.044 -10.114 1.00 0.00 C ATOM 1070 CG ASN A 71 11.769 -5.393 -8.849 1.00 0.00 C ATOM 1071 OD1 ASN A 71 12.631 -4.632 -8.411 1.00 0.00 O ATOM 1072 ND2 ASN A 71 11.512 -6.540 -8.294 1.00 0.00 N ATOM 0 H ASN A 71 10.947 -2.960 -8.751 1.00 0.00 H new ATOM 0 HA ASN A 71 9.315 -3.949 -10.848 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.718 -5.967 -10.624 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.648 -4.491 -10.787 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.032 -6.835 -7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.790 -7.145 -8.685 1.00 0.00 H new ATOM 1079 N GLU A 72 7.646 -5.483 -9.871 1.00 0.00 N ATOM 1080 CA GLU A 72 6.449 -6.148 -9.330 1.00 0.00 C ATOM 1081 C GLU A 72 6.815 -7.351 -8.482 1.00 0.00 C ATOM 1082 O GLU A 72 6.094 -7.708 -7.555 1.00 0.00 O ATOM 1083 CB GLU A 72 5.540 -6.588 -10.468 1.00 0.00 C ATOM 1084 CG GLU A 72 5.160 -5.464 -11.412 1.00 0.00 C ATOM 1085 CD GLU A 72 4.215 -5.914 -12.482 1.00 0.00 C ATOM 1086 OE1 GLU A 72 4.629 -6.670 -13.378 1.00 0.00 O ATOM 1087 OE2 GLU A 72 3.042 -5.506 -12.453 1.00 0.00 O ATOM 0 H GLU A 72 7.653 -5.431 -10.890 1.00 0.00 H new ATOM 0 HA GLU A 72 5.929 -5.430 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.037 -7.375 -11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.632 -7.022 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.702 -4.654 -10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.061 -5.060 -11.873 1.00 0.00 H new ATOM 1094 N GLU A 73 7.946 -7.947 -8.800 1.00 0.00 N ATOM 1095 CA GLU A 73 8.474 -9.105 -8.078 1.00 0.00 C ATOM 1096 C GLU A 73 8.677 -8.786 -6.583 1.00 0.00 C ATOM 1097 O GLU A 73 8.542 -9.662 -5.728 1.00 0.00 O ATOM 1098 CB GLU A 73 9.813 -9.509 -8.681 1.00 0.00 C ATOM 1099 CG GLU A 73 9.775 -9.782 -10.166 1.00 0.00 C ATOM 1100 CD GLU A 73 11.145 -10.032 -10.724 1.00 0.00 C ATOM 1101 OE1 GLU A 73 11.917 -9.065 -10.869 1.00 0.00 O ATOM 1102 OE2 GLU A 73 11.486 -11.190 -11.014 1.00 0.00 O ATOM 0 H GLU A 73 8.537 -7.644 -9.574 1.00 0.00 H new ATOM 0 HA GLU A 73 7.753 -9.918 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.537 -8.718 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.173 -10.402 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.141 -10.647 -10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.323 -8.934 -10.680 1.00 0.00 H new ATOM 1109 N ASP A 74 8.987 -7.529 -6.275 1.00 0.00 N ATOM 1110 CA ASP A 74 9.236 -7.136 -4.897 1.00 0.00 C ATOM 1111 C ASP A 74 8.129 -6.296 -4.304 1.00 0.00 C ATOM 1112 O ASP A 74 8.215 -5.907 -3.150 1.00 0.00 O ATOM 1113 CB ASP A 74 10.600 -6.445 -4.698 1.00 0.00 C ATOM 1114 CG ASP A 74 11.784 -7.382 -4.832 1.00 0.00 C ATOM 1115 OD1 ASP A 74 12.133 -8.067 -3.848 1.00 0.00 O ATOM 1116 OD2 ASP A 74 12.400 -7.437 -5.907 1.00 0.00 O ATOM 0 H ASP A 74 9.070 -6.774 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 74 9.261 -8.079 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.700 -5.641 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.623 -5.984 -3.711 1.00 0.00 H new ATOM 1121 N VAL A 75 7.085 -6.006 -5.055 1.00 0.00 N ATOM 1122 CA VAL A 75 5.988 -5.268 -4.452 1.00 0.00 C ATOM 1123 C VAL A 75 5.074 -6.319 -3.850 1.00 0.00 C ATOM 1124 O VAL A 75 4.327 -6.990 -4.567 1.00 0.00 O ATOM 1125 CB VAL A 75 5.168 -4.400 -5.455 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.442 -3.291 -4.738 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.987 -3.826 -6.561 1.00 0.00 C ATOM 0 H VAL A 75 6.971 -6.255 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 75 6.397 -4.563 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 75 4.451 -5.082 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.877 -2.700 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.758 -3.718 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.164 -2.651 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.348 -3.235 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.767 -3.189 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.445 -4.634 -7.131 1.00 0.00 H new ATOM 1137 N SER A 76 5.161 -6.485 -2.558 1.00 0.00 N ATOM 1138 CA SER A 76 4.468 -7.545 -1.885 1.00 0.00 C ATOM 1139 C SER A 76 4.225 -7.177 -0.430 1.00 0.00 C ATOM 1140 O SER A 76 4.970 -6.357 0.141 1.00 0.00 O ATOM 1141 CB SER A 76 5.349 -8.817 -1.960 1.00 0.00 C ATOM 1142 OG SER A 76 4.779 -9.918 -1.260 1.00 0.00 O ATOM 0 H SER A 76 5.715 -5.888 -1.944 1.00 0.00 H new ATOM 0 HA SER A 76 3.503 -7.718 -2.360 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.496 -9.092 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.333 -8.598 -1.546 1.00 0.00 H new ATOM 0 HG SER A 76 5.370 -10.696 -1.338 1.00 0.00 H new ATOM 1148 N PRO A 77 3.157 -7.743 0.180 1.00 0.00 N ATOM 1149 CA PRO A 77 2.903 -7.607 1.607 1.00 0.00 C ATOM 1150 C PRO A 77 3.831 -8.514 2.423 1.00 0.00 C ATOM 1151 O PRO A 77 3.915 -8.403 3.648 1.00 0.00 O ATOM 1152 CB PRO A 77 1.452 -8.090 1.761 1.00 0.00 C ATOM 1153 CG PRO A 77 1.244 -9.032 0.631 1.00 0.00 C ATOM 1154 CD PRO A 77 2.081 -8.512 -0.502 1.00 0.00 C ATOM 0 HA PRO A 77 3.070 -6.590 1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.299 -8.584 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.751 -7.257 1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.544 -10.043 0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.192 -9.077 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.489 -9.324 -1.104 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.499 -7.879 -1.172 1.00 0.00 H new ATOM 1162 N SER A 78 4.510 -9.414 1.745 1.00 0.00 N ATOM 1163 CA SER A 78 5.385 -10.347 2.398 1.00 0.00 C ATOM 1164 C SER A 78 6.708 -9.698 2.622 1.00 0.00 C ATOM 1165 O SER A 78 7.322 -9.156 1.696 1.00 0.00 O ATOM 1166 CB SER A 78 5.534 -11.603 1.566 1.00 0.00 C ATOM 1167 OG SER A 78 6.219 -12.625 2.275 1.00 0.00 O ATOM 0 H SER A 78 4.468 -9.515 0.731 1.00 0.00 H new ATOM 0 HA SER A 78 4.961 -10.635 3.360 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.548 -11.963 1.271 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.076 -11.370 0.649 1.00 0.00 H new ATOM 0 HG SER A 78 6.296 -13.421 1.709 1.00 0.00 H new ATOM 1173 N LEU A 79 7.150 -9.750 3.837 1.00 0.00 N ATOM 1174 CA LEU A 79 8.340 -9.090 4.206 1.00 0.00 C ATOM 1175 C LEU A 79 9.456 -10.055 4.483 1.00 0.00 C ATOM 1176 O LEU A 79 10.553 -9.649 4.884 1.00 0.00 O ATOM 1177 CB LEU A 79 8.088 -8.169 5.392 1.00 0.00 C ATOM 1178 CG LEU A 79 7.037 -7.080 5.169 1.00 0.00 C ATOM 1179 CD1 LEU A 79 6.973 -6.106 6.345 1.00 0.00 C ATOM 1180 CD2 LEU A 79 7.305 -6.359 3.869 1.00 0.00 C ATOM 0 H LEU A 79 6.689 -10.254 4.595 1.00 0.00 H new ATOM 0 HA LEU A 79 8.660 -8.481 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.781 -8.777 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.029 -7.691 5.665 1.00 0.00 H new ATOM 0 HG LEU A 79 6.060 -7.558 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.215 -5.348 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.715 -6.650 7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.943 -5.625 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.551 -5.586 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.293 -5.900 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.264 -7.070 3.044 1.00 0.00 H new ATOM 1192 N GLU A 80 9.220 -11.335 4.256 1.00 0.00 N ATOM 1193 CA GLU A 80 10.271 -12.267 4.481 1.00 0.00 C ATOM 1194 C GLU A 80 11.175 -12.429 3.293 1.00 0.00 C ATOM 1195 O GLU A 80 11.035 -13.330 2.452 1.00 0.00 O ATOM 1196 CB GLU A 80 9.856 -13.572 5.115 1.00 0.00 C ATOM 1197 CG GLU A 80 11.038 -14.479 5.384 1.00 0.00 C ATOM 1198 CD GLU A 80 10.692 -15.670 6.238 1.00 0.00 C ATOM 1199 OE1 GLU A 80 10.165 -16.669 5.705 1.00 0.00 O ATOM 1200 OE2 GLU A 80 10.928 -15.620 7.468 1.00 0.00 O ATOM 0 H GLU A 80 8.338 -11.728 3.928 1.00 0.00 H new ATOM 0 HA GLU A 80 10.876 -11.800 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.335 -13.370 6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.150 -14.083 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.444 -14.827 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.824 -13.905 5.875 1.00 0.00 H new ATOM 1207 N GLY A 81 12.002 -11.473 3.197 1.00 0.00 N ATOM 1208 CA GLY A 81 13.072 -11.413 2.278 1.00 0.00 C ATOM 1209 C GLY A 81 13.856 -10.190 2.639 1.00 0.00 C ATOM 1210 O GLY A 81 14.570 -9.589 1.819 1.00 0.00 O ATOM 0 H GLY A 81 11.952 -10.650 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.692 -12.307 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.704 -11.353 1.254 1.00 0.00 H new ATOM 1214 N LEU A 82 13.653 -9.801 3.900 1.00 0.00 N ATOM 1215 CA LEU A 82 14.176 -8.621 4.508 1.00 0.00 C ATOM 1216 C LEU A 82 14.551 -8.963 5.898 1.00 0.00 C ATOM 1217 O LEU A 82 13.868 -9.757 6.552 1.00 0.00 O ATOM 1218 CB LEU A 82 13.111 -7.470 4.608 1.00 0.00 C ATOM 1219 CG LEU A 82 12.640 -6.778 3.323 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.883 -7.693 2.480 1.00 0.00 C ATOM 1221 CD2 LEU A 82 11.821 -5.543 3.616 1.00 0.00 C ATOM 0 H LEU A 82 13.082 -10.348 4.544 1.00 0.00 H new ATOM 0 HA LEU A 82 15.012 -8.277 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.230 -7.879 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.518 -6.702 5.265 1.00 0.00 H new ATOM 0 HG LEU A 82 13.536 -6.467 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.562 -7.174 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.511 -8.541 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.008 -8.049 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.508 -5.083 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.941 -5.819 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.423 -4.834 4.184 1.00 0.00 H new ATOM 1233 N THR A 83 15.601 -8.406 6.346 1.00 0.00 N ATOM 1234 CA THR A 83 15.979 -8.536 7.704 1.00 0.00 C ATOM 1235 C THR A 83 15.660 -7.214 8.352 1.00 0.00 C ATOM 1236 O THR A 83 15.015 -6.369 7.703 1.00 0.00 O ATOM 1237 CB THR A 83 17.468 -8.877 7.826 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.245 -7.826 7.277 1.00 0.00 O ATOM 1239 CG2 THR A 83 17.747 -10.115 7.036 1.00 0.00 C ATOM 0 H THR A 83 16.234 -7.840 5.781 1.00 0.00 H new ATOM 0 HA THR A 83 15.443 -9.349 8.193 1.00 0.00 H new ATOM 0 HB THR A 83 17.718 -9.020 8.877 1.00 0.00 H new ATOM 0 HG1 THR A 83 17.722 -7.355 6.595 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.804 -10.367 7.116 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.147 -10.938 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.493 -9.944 5.990 1.00 0.00 H new ATOM 1247 N GLU A 84 16.104 -6.995 9.565 1.00 0.00 N ATOM 1248 CA GLU A 84 15.770 -5.780 10.280 1.00 0.00 C ATOM 1249 C GLU A 84 16.176 -4.535 9.485 1.00 0.00 C ATOM 1250 O GLU A 84 15.415 -3.602 9.399 1.00 0.00 O ATOM 1251 CB GLU A 84 16.385 -5.776 11.665 1.00 0.00 C ATOM 1252 CG GLU A 84 15.909 -4.632 12.541 1.00 0.00 C ATOM 1253 CD GLU A 84 16.508 -4.670 13.913 1.00 0.00 C ATOM 1254 OE1 GLU A 84 16.101 -5.527 14.729 1.00 0.00 O ATOM 1255 OE2 GLU A 84 17.373 -3.825 14.218 1.00 0.00 O ATOM 0 H GLU A 84 16.699 -7.642 10.082 1.00 0.00 H new ATOM 0 HA GLU A 84 14.687 -5.752 10.398 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.154 -6.720 12.158 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.470 -5.723 11.571 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.162 -3.685 12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.823 -4.669 12.622 1.00 0.00 H new ATOM 1262 N LYS A 85 17.351 -4.560 8.863 1.00 0.00 N ATOM 1263 CA LYS A 85 17.808 -3.431 8.037 1.00 0.00 C ATOM 1264 C LYS A 85 16.905 -3.162 6.831 1.00 0.00 C ATOM 1265 O LYS A 85 16.572 -2.001 6.554 1.00 0.00 O ATOM 1266 CB LYS A 85 19.204 -3.647 7.548 1.00 0.00 C ATOM 1267 CG LYS A 85 19.389 -5.002 6.970 1.00 0.00 C ATOM 1268 CD LYS A 85 20.651 -5.083 6.175 1.00 0.00 C ATOM 1269 CE LYS A 85 21.235 -6.501 6.082 1.00 0.00 C ATOM 1270 NZ LYS A 85 20.302 -7.475 5.509 1.00 0.00 N ATOM 0 H LYS A 85 18.005 -5.341 8.910 1.00 0.00 H new ATOM 0 HA LYS A 85 17.769 -2.561 8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.444 -2.896 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.903 -3.507 8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.412 -5.741 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.539 -5.248 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.460 -4.712 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.394 -4.423 6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.140 -6.475 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.529 -6.832 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.749 -8.414 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.440 -7.514 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.054 -7.189 4.540 1.00 0.00 H new ATOM 1284 N GLU A 86 16.498 -4.217 6.103 1.00 0.00 N ATOM 1285 CA GLU A 86 15.671 -4.029 4.979 1.00 0.00 C ATOM 1286 C GLU A 86 14.332 -3.537 5.430 1.00 0.00 C ATOM 1287 O GLU A 86 13.738 -2.650 4.810 1.00 0.00 O ATOM 1288 CB GLU A 86 15.503 -5.292 4.193 1.00 0.00 C ATOM 1289 CG GLU A 86 16.646 -5.770 3.327 1.00 0.00 C ATOM 1290 CD GLU A 86 17.784 -6.270 4.087 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.578 -7.093 4.972 1.00 0.00 O ATOM 1292 OE2 GLU A 86 18.917 -5.843 3.825 1.00 0.00 O ATOM 0 H GLU A 86 16.745 -5.187 6.300 1.00 0.00 H new ATOM 0 HA GLU A 86 16.146 -3.295 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.267 -6.090 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.632 -5.167 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.286 -6.559 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.977 -4.949 2.691 1.00 0.00 H new ATOM 1299 N ILE A 87 13.862 -4.092 6.537 1.00 0.00 N ATOM 1300 CA ILE A 87 12.630 -3.663 7.106 1.00 0.00 C ATOM 1301 C ILE A 87 12.739 -2.218 7.528 1.00 0.00 C ATOM 1302 O ILE A 87 11.835 -1.460 7.282 1.00 0.00 O ATOM 1303 CB ILE A 87 12.186 -4.504 8.315 1.00 0.00 C ATOM 1304 CG1 ILE A 87 11.951 -5.954 7.926 1.00 0.00 C ATOM 1305 CG2 ILE A 87 10.916 -3.928 8.879 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.552 -6.816 9.102 1.00 0.00 C ATOM 0 H ILE A 87 14.330 -4.841 7.047 1.00 0.00 H new ATOM 0 HA ILE A 87 11.874 -3.790 6.331 1.00 0.00 H new ATOM 0 HB ILE A 87 12.980 -4.477 9.061 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.171 -6.000 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.859 -6.357 7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.597 -4.521 9.736 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.091 -2.899 9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.138 -3.946 8.116 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.397 -7.841 8.766 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.342 -6.796 9.853 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.629 -6.433 9.537 1.00 0.00 H new ATOM 1318 N ASN A 88 13.884 -1.835 8.129 1.00 0.00 N ATOM 1319 CA ASN A 88 14.105 -0.436 8.595 1.00 0.00 C ATOM 1320 C ASN A 88 13.839 0.558 7.511 1.00 0.00 C ATOM 1321 O ASN A 88 13.336 1.655 7.765 1.00 0.00 O ATOM 1322 CB ASN A 88 15.530 -0.201 9.102 1.00 0.00 C ATOM 1323 CG ASN A 88 15.865 -0.839 10.442 1.00 0.00 C ATOM 1324 OD1 ASN A 88 17.014 -1.220 10.684 1.00 0.00 O ATOM 1325 ND2 ASN A 88 14.900 -0.940 11.330 1.00 0.00 N ATOM 0 H ASN A 88 14.668 -2.463 8.305 1.00 0.00 H new ATOM 0 HA ASN A 88 13.402 -0.297 9.416 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.229 -0.578 8.355 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.696 0.873 9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 88 15.091 -1.342 12.248 1.00 0.00 H new ATOM 0 HD22 ASN A 88 13.960 -0.616 11.101 1.00 0.00 H new ATOM 1332 N THR A 89 14.162 0.174 6.316 1.00 0.00 N ATOM 1333 CA THR A 89 13.987 1.009 5.185 1.00 0.00 C ATOM 1334 C THR A 89 12.478 1.280 4.925 1.00 0.00 C ATOM 1335 O THR A 89 12.059 2.424 4.819 1.00 0.00 O ATOM 1336 CB THR A 89 14.628 0.320 3.986 1.00 0.00 C ATOM 1337 OG1 THR A 89 16.022 0.052 4.281 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.523 1.178 2.772 1.00 0.00 C ATOM 0 H THR A 89 14.559 -0.741 6.103 1.00 0.00 H new ATOM 0 HA THR A 89 14.462 1.975 5.358 1.00 0.00 H new ATOM 0 HB THR A 89 14.105 -0.616 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.086 -0.712 4.891 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.986 0.670 1.926 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.473 1.368 2.551 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.033 2.125 2.950 1.00 0.00 H new ATOM 1346 N LEU A 90 11.683 0.227 4.919 1.00 0.00 N ATOM 1347 CA LEU A 90 10.230 0.328 4.737 1.00 0.00 C ATOM 1348 C LEU A 90 9.581 0.902 5.976 1.00 0.00 C ATOM 1349 O LEU A 90 8.622 1.645 5.901 1.00 0.00 O ATOM 1350 CB LEU A 90 9.677 -1.054 4.447 1.00 0.00 C ATOM 1351 CG LEU A 90 8.429 -1.480 5.209 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.158 -0.892 4.639 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.373 -2.966 5.371 1.00 0.00 C ATOM 0 H LEU A 90 12.018 -0.729 5.040 1.00 0.00 H new ATOM 0 HA LEU A 90 10.013 0.994 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.458 -1.113 3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.462 -1.782 4.652 1.00 0.00 H new ATOM 0 HG LEU A 90 8.505 -1.057 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.305 -1.233 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.212 0.196 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.040 -1.215 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.471 -3.239 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.358 -3.439 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.249 -3.305 5.924 1.00 0.00 H new ATOM 1365 N ASN A 91 10.109 0.511 7.100 1.00 0.00 N ATOM 1366 CA ASN A 91 9.678 0.959 8.414 1.00 0.00 C ATOM 1367 C ASN A 91 9.687 2.495 8.446 1.00 0.00 C ATOM 1368 O ASN A 91 8.869 3.128 9.100 1.00 0.00 O ATOM 1369 CB ASN A 91 10.656 0.406 9.447 1.00 0.00 C ATOM 1370 CG ASN A 91 10.123 0.334 10.855 1.00 0.00 C ATOM 1371 OD1 ASN A 91 10.204 1.299 11.629 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.618 -0.833 11.215 1.00 0.00 N ATOM 0 H ASN A 91 10.882 -0.154 7.139 1.00 0.00 H new ATOM 0 HA ASN A 91 8.670 0.607 8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.960 -0.594 9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.552 1.026 9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.274 -0.968 12.166 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.572 -1.598 10.542 1.00 0.00 H new ATOM 1379 N ASP A 92 10.642 3.073 7.731 1.00 0.00 N ATOM 1380 CA ASP A 92 10.743 4.515 7.573 1.00 0.00 C ATOM 1381 C ASP A 92 9.689 5.018 6.591 1.00 0.00 C ATOM 1382 O ASP A 92 9.069 6.054 6.805 1.00 0.00 O ATOM 1383 CB ASP A 92 12.137 4.893 7.094 1.00 0.00 C ATOM 1384 CG ASP A 92 12.315 6.372 6.937 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.301 7.088 7.962 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.471 6.842 5.800 1.00 0.00 O ATOM 0 H ASP A 92 11.371 2.552 7.243 1.00 0.00 H new ATOM 0 HA ASP A 92 10.566 4.986 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.874 4.516 7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.333 4.405 6.140 1.00 0.00 H new ATOM 1391 N TRP A 93 9.475 4.250 5.537 1.00 0.00 N ATOM 1392 CA TRP A 93 8.484 4.541 4.512 1.00 0.00 C ATOM 1393 C TRP A 93 7.078 4.611 5.043 1.00 0.00 C ATOM 1394 O TRP A 93 6.279 5.425 4.572 1.00 0.00 O ATOM 1395 CB TRP A 93 8.588 3.563 3.368 1.00 0.00 C ATOM 1396 CG TRP A 93 9.689 3.868 2.392 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.880 3.230 2.263 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.686 4.907 1.403 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.618 3.795 1.258 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.906 4.828 0.711 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.765 5.892 1.034 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.232 5.695 -0.326 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.089 6.753 0.005 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.311 6.648 -0.664 1.00 0.00 C ATOM 0 H TRP A 93 9.995 3.389 5.365 1.00 0.00 H new ATOM 0 HA TRP A 93 8.714 5.539 4.140 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.744 2.563 3.773 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.639 3.545 2.833 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.200 2.395 2.868 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.548 3.495 0.964 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.817 5.978 1.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.176 5.619 -0.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 8.387 7.520 -0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.534 7.335 -1.467 1.00 0.00 H new ATOM 1415 N GLU A 94 6.778 3.788 6.027 1.00 0.00 N ATOM 1416 CA GLU A 94 5.480 3.808 6.687 1.00 0.00 C ATOM 1417 C GLU A 94 5.187 5.213 7.171 1.00 0.00 C ATOM 1418 O GLU A 94 4.126 5.739 6.960 1.00 0.00 O ATOM 1419 CB GLU A 94 5.490 2.864 7.877 1.00 0.00 C ATOM 1420 CG GLU A 94 5.757 1.426 7.514 1.00 0.00 C ATOM 1421 CD GLU A 94 5.807 0.529 8.722 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.746 0.068 9.174 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.895 0.242 9.229 1.00 0.00 O ATOM 0 H GLU A 94 7.422 3.087 6.394 1.00 0.00 H new ATOM 0 HA GLU A 94 4.714 3.490 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.249 3.196 8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.528 2.927 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.979 1.075 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.703 1.359 6.976 1.00 0.00 H new ATOM 1430 N THR A 95 6.196 5.816 7.737 1.00 0.00 N ATOM 1431 CA THR A 95 6.143 7.147 8.321 1.00 0.00 C ATOM 1432 C THR A 95 5.989 8.235 7.254 1.00 0.00 C ATOM 1433 O THR A 95 5.368 9.276 7.480 1.00 0.00 O ATOM 1434 CB THR A 95 7.444 7.377 9.091 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.571 6.318 10.047 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.431 8.700 9.830 1.00 0.00 C ATOM 0 H THR A 95 7.118 5.385 7.812 1.00 0.00 H new ATOM 0 HA THR A 95 5.275 7.207 8.977 1.00 0.00 H new ATOM 0 HB THR A 95 8.276 7.395 8.387 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.399 6.436 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.372 8.827 10.365 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.306 9.514 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.605 8.711 10.541 1.00 0.00 H new ATOM 1444 N LYS A 96 6.501 7.958 6.094 1.00 0.00 N ATOM 1445 CA LYS A 96 6.532 8.918 5.021 1.00 0.00 C ATOM 1446 C LYS A 96 5.153 9.039 4.442 1.00 0.00 C ATOM 1447 O LYS A 96 4.729 10.098 3.982 1.00 0.00 O ATOM 1448 CB LYS A 96 7.585 8.508 4.005 1.00 0.00 C ATOM 1449 CG LYS A 96 8.974 8.393 4.645 1.00 0.00 C ATOM 1450 CD LYS A 96 9.481 9.739 5.149 1.00 0.00 C ATOM 1451 CE LYS A 96 10.835 9.604 5.830 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.349 10.904 6.320 1.00 0.00 N ATOM 0 H LYS A 96 6.913 7.055 5.859 1.00 0.00 H new ATOM 0 HA LYS A 96 6.818 9.907 5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.309 7.552 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.616 9.239 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.934 7.687 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.677 7.990 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.560 10.435 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.761 10.162 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.751 8.910 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.550 9.174 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.273 10.762 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.455 11.559 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.681 11.304 7.009 1.00 0.00 H new ATOM 1466 N PHE A 97 4.466 7.944 4.470 1.00 0.00 N ATOM 1467 CA PHE A 97 3.094 7.897 4.108 1.00 0.00 C ATOM 1468 C PHE A 97 2.224 8.348 5.280 1.00 0.00 C ATOM 1469 O PHE A 97 1.351 9.156 5.116 1.00 0.00 O ATOM 1470 CB PHE A 97 2.721 6.500 3.675 1.00 0.00 C ATOM 1471 CG PHE A 97 3.219 6.106 2.308 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.550 5.789 2.089 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.340 6.034 1.243 1.00 0.00 C ATOM 1474 CE1 PHE A 97 4.993 5.413 0.838 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.775 5.661 -0.011 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.105 5.351 -0.213 1.00 0.00 C ATOM 0 H PHE A 97 4.853 7.043 4.751 1.00 0.00 H new ATOM 0 HA PHE A 97 2.924 8.576 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.111 5.792 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.635 6.408 3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.251 5.837 2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.298 6.273 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.033 5.168 0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.077 5.611 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.449 5.060 -1.195 1.00 0.00 H new ATOM 1486 N GLU A 98 2.536 7.852 6.460 1.00 0.00 N ATOM 1487 CA GLU A 98 1.805 8.130 7.720 1.00 0.00 C ATOM 1488 C GLU A 98 1.659 9.606 8.058 1.00 0.00 C ATOM 1489 O GLU A 98 0.705 9.994 8.726 1.00 0.00 O ATOM 1490 CB GLU A 98 2.525 7.425 8.864 1.00 0.00 C ATOM 1491 CG GLU A 98 1.857 6.168 9.371 1.00 0.00 C ATOM 1492 CD GLU A 98 0.624 6.488 10.158 1.00 0.00 C ATOM 1493 OE1 GLU A 98 0.759 6.806 11.368 1.00 0.00 O ATOM 1494 OE2 GLU A 98 -0.482 6.439 9.617 1.00 0.00 O ATOM 0 H GLU A 98 3.327 7.222 6.593 1.00 0.00 H new ATOM 0 HA GLU A 98 0.791 7.756 7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.534 7.174 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.624 8.124 9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.597 5.526 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.554 5.609 9.995 1.00 0.00 H new ATOM 1501 N ALA A 99 2.563 10.426 7.606 1.00 0.00 N ATOM 1502 CA ALA A 99 2.509 11.816 7.965 1.00 0.00 C ATOM 1503 C ALA A 99 1.843 12.622 6.877 1.00 0.00 C ATOM 1504 O ALA A 99 1.630 13.830 7.027 1.00 0.00 O ATOM 1505 CB ALA A 99 3.907 12.344 8.252 1.00 0.00 C ATOM 0 H ALA A 99 3.337 10.163 6.996 1.00 0.00 H new ATOM 0 HA ALA A 99 1.912 11.916 8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.849 13.398 8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.346 11.782 9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.528 12.231 7.363 1.00 0.00 H new ATOM 1511 N LYS A 100 1.499 11.964 5.780 1.00 0.00 N ATOM 1512 CA LYS A 100 0.944 12.650 4.643 1.00 0.00 C ATOM 1513 C LYS A 100 -0.394 12.068 4.222 1.00 0.00 C ATOM 1514 O LYS A 100 -1.350 12.803 3.990 1.00 0.00 O ATOM 1515 CB LYS A 100 1.927 12.673 3.440 1.00 0.00 C ATOM 1516 CG LYS A 100 3.127 13.626 3.550 1.00 0.00 C ATOM 1517 CD LYS A 100 4.113 13.241 4.627 1.00 0.00 C ATOM 1518 CE LYS A 100 5.199 14.283 4.772 1.00 0.00 C ATOM 1519 NZ LYS A 100 6.005 14.460 3.540 1.00 0.00 N ATOM 0 H LYS A 100 1.598 10.956 5.662 1.00 0.00 H new ATOM 0 HA LYS A 100 0.777 13.679 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.307 11.662 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.364 12.936 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.644 13.657 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.762 14.634 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.591 13.122 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.560 12.277 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.745 15.237 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.858 14.000 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.813 15.083 3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.353 13.535 3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.415 14.886 2.797 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.452 10.771 4.135 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.621 10.063 3.701 1.00 0.00 C ATOM 1535 C TYR A 101 -2.322 9.414 4.887 1.00 0.00 C ATOM 1536 O TYR A 101 -1.669 8.895 5.802 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.229 8.989 2.692 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.568 9.517 1.439 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.323 10.053 0.411 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.809 9.469 1.283 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.732 10.525 -0.736 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.412 9.941 0.136 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.634 10.468 -0.870 1.00 0.00 C ATOM 1544 OH TYR A 101 1.226 10.943 -2.019 1.00 0.00 O ATOM 0 H TYR A 101 0.331 10.161 4.370 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.303 10.773 3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.552 8.284 3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.122 8.431 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.397 10.101 0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.419 9.055 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.338 10.939 -1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.486 9.898 0.028 1.00 0.00 H new ATOM 0 HH TYR A 101 2.198 10.831 -1.957 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.651 9.449 4.903 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.428 8.845 5.956 1.00 0.00 C ATOM 1556 C PRO A 102 -4.665 7.351 5.721 1.00 0.00 C ATOM 1557 O PRO A 102 -4.930 6.907 4.581 1.00 0.00 O ATOM 1558 CB PRO A 102 -5.753 9.597 5.863 1.00 0.00 C ATOM 1559 CG PRO A 102 -5.906 9.858 4.410 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.513 10.118 3.900 1.00 0.00 C ATOM 0 HA PRO A 102 -3.932 8.911 6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.579 9.003 6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.729 10.524 6.436 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.357 9.005 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.556 10.715 4.231 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.366 9.703 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.301 11.185 3.836 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.546 6.586 6.772 1.00 0.00 N ATOM 1569 CA VAL A 103 -4.900 5.184 6.727 1.00 0.00 C ATOM 1570 C VAL A 103 -6.405 5.097 6.741 1.00 0.00 C ATOM 1571 O VAL A 103 -7.047 5.361 7.756 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.322 4.359 7.912 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.774 2.903 7.826 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -2.816 4.417 7.914 1.00 0.00 C ATOM 0 H VAL A 103 -4.205 6.908 7.678 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.469 4.755 5.822 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.698 4.795 8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.359 2.343 8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.862 2.857 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.424 2.468 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.431 3.834 8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.435 4.006 6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.492 5.453 8.014 1.00 0.00 H new ATOM 1584 N VAL A 104 -6.955 4.764 5.625 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.387 4.738 5.467 1.00 0.00 C ATOM 1586 C VAL A 104 -8.972 3.354 5.694 1.00 0.00 C ATOM 1587 O VAL A 104 -10.184 3.157 5.580 1.00 0.00 O ATOM 1588 CB VAL A 104 -8.814 5.281 4.098 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.434 6.745 3.977 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.173 4.483 2.977 1.00 0.00 C ATOM 0 H VAL A 104 -6.434 4.500 4.789 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.789 5.394 6.239 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.896 5.184 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.741 7.121 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -8.933 7.316 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.354 6.851 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.491 4.886 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.088 4.549 3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.480 3.440 3.052 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.126 2.402 6.003 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.604 1.088 6.296 1.00 0.00 C ATOM 1602 C GLY A 105 -7.543 0.042 6.173 1.00 0.00 C ATOM 1603 O GLY A 105 -6.356 0.315 6.406 1.00 0.00 O ATOM 0 H GLY A 105 -7.114 2.518 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.008 1.071 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.425 0.847 5.621 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.944 -1.132 5.780 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.052 -2.268 5.706 1.00 0.00 C ATOM 1609 C ARG A 106 -7.186 -2.979 4.425 1.00 0.00 C ATOM 1610 O ARG A 106 -8.187 -2.842 3.718 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.387 -3.317 6.750 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.817 -3.774 6.711 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.991 -5.000 7.534 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.588 -4.824 8.925 1.00 0.00 N ATOM 1615 CZ ARG A 106 -8.308 -5.831 9.758 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -8.383 -7.094 9.335 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -7.963 -5.582 11.008 1.00 0.00 N ATOM 0 H ARG A 106 -8.903 -1.336 5.499 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.055 -1.850 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.736 -4.179 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.171 -2.914 7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.469 -2.983 7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.114 -3.974 5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.037 -5.305 7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.409 -5.810 7.094 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.515 -3.872 9.285 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.655 -7.294 8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.168 -7.859 9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.910 -4.619 11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.750 -6.353 11.641 1.00 0.00 H new ATOM 1631 N VAL A 107 -6.199 -3.754 4.134 1.00 0.00 N ATOM 1632 CA VAL A 107 -6.303 -4.676 3.103 1.00 0.00 C ATOM 1633 C VAL A 107 -6.120 -6.044 3.712 1.00 0.00 C ATOM 1634 O VAL A 107 -5.234 -6.259 4.553 1.00 0.00 O ATOM 1635 CB VAL A 107 -5.328 -4.461 1.926 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.899 -4.725 2.309 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.748 -5.325 0.782 1.00 0.00 C ATOM 0 H VAL A 107 -5.301 -3.751 4.618 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.285 -4.554 2.647 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.373 -3.413 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.254 -4.560 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.608 -4.051 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.797 -5.757 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.064 -5.179 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.728 -6.371 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.759 -5.056 0.475 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.974 -6.909 3.364 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.966 -8.233 3.838 1.00 0.00 C ATOM 1649 C VAL A 108 -6.643 -9.131 2.678 1.00 0.00 C ATOM 1650 O VAL A 108 -7.122 -8.912 1.564 1.00 0.00 O ATOM 1651 CB VAL A 108 -8.317 -8.569 4.518 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.488 -7.615 5.630 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -9.459 -8.327 3.608 1.00 0.00 C ATOM 0 H VAL A 108 -7.734 -6.712 2.713 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.207 -8.378 4.606 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.301 -9.615 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.431 -7.815 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.664 -7.726 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.496 -6.598 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.390 -8.574 4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.474 -7.278 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.356 -8.951 2.721 1.00 0.00 H new ATOM 1663 N SER A 109 -5.823 -10.083 2.900 1.00 0.00 N ATOM 1664 CA SER A 109 -5.326 -10.851 1.833 1.00 0.00 C ATOM 1665 C SER A 109 -5.107 -12.289 2.273 1.00 0.00 C ATOM 1666 O SER A 109 -4.082 -12.576 2.902 1.00 0.00 O ATOM 1667 CB SER A 109 -4.010 -10.192 1.385 1.00 0.00 C ATOM 1668 OG SER A 109 -3.351 -10.904 0.340 1.00 0.00 O ATOM 1669 OXT SER A 109 -5.967 -13.135 1.987 1.00 0.00 O ATOM 0 H SER A 109 -5.479 -10.350 3.822 1.00 0.00 H new ATOM 0 HA SER A 109 -6.033 -10.882 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.216 -9.176 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.340 -10.115 2.241 1.00 0.00 H new ATOM 0 HG SER A 109 -2.524 -10.438 0.097 1.00 0.00 H new