USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 931 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 Single : A 9 HIS : no HD1:sc= -0.745 X(o=-0.75,f=-0.49) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -120:sc= 0.0106 (180deg=-0.0425) USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= -0.0186 (180deg=-0.0402) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0368 (180deg=-0.321) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= -0.0908 (180deg=-0.151) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc=-0.000811 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00787 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.625 X(o=-0.62,f=-0.14) USER MOD Single : A 81 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.2!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 72:sc= 1.05 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0784 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 91 MET CE :methyl -150:sc=-0.00177 (180deg=-0.231) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.34) USER MOD Single : A 99 HIS : no HD1:sc= -0.773 X(o=-0.77,f=-0.46) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 30:sc= -0.0203 USER MOD Single : A 110 SER OG : rot -126:sc=-0.00238 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : B 732 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N HIS A 9 -9.816 12.749 2.877 1.00 0.00 N ATOM 198 CA HIS A 9 -10.918 13.679 3.099 1.00 0.00 C ATOM 199 C HIS A 9 -12.257 12.948 2.892 1.00 0.00 C ATOM 200 O HIS A 9 -13.055 12.914 3.824 1.00 0.00 O ATOM 201 CB HIS A 9 -10.784 14.916 2.190 1.00 0.00 C ATOM 202 CG HIS A 9 -12.099 15.538 1.762 1.00 0.00 C ATOM 203 ND1 HIS A 9 -13.111 15.967 2.590 1.00 0.00 N ATOM 204 CD2 HIS A 9 -12.523 15.720 0.472 1.00 0.00 C ATOM 205 CE1 HIS A 9 -14.115 16.410 1.818 1.00 0.00 C ATOM 206 NE2 HIS A 9 -13.799 16.284 0.517 1.00 0.00 N ATOM 0 HA HIS A 9 -10.886 14.042 4.126 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.195 15.670 2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -10.224 14.635 1.298 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.969 15.471 -0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.046 16.811 2.189 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.378 16.549 -0.280 1.00 0.00 H new ATOM 214 N PRO A 10 -12.542 12.358 1.707 1.00 0.00 N ATOM 215 CA PRO A 10 -13.788 11.651 1.469 1.00 0.00 C ATOM 216 C PRO A 10 -13.830 10.285 2.184 1.00 0.00 C ATOM 217 O PRO A 10 -13.914 9.241 1.535 1.00 0.00 O ATOM 218 CB PRO A 10 -13.863 11.553 -0.055 1.00 0.00 C ATOM 219 CG PRO A 10 -12.414 11.343 -0.463 1.00 0.00 C ATOM 220 CD PRO A 10 -11.732 12.319 0.491 1.00 0.00 C ATOM 0 HA PRO A 10 -14.657 12.166 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.495 10.724 -0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.278 12.459 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.083 10.315 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.235 11.588 -1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.716 11.995 0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.659 13.310 0.043 1.00 0.00 H new ATOM 228 N PHE A 11 -13.856 10.281 3.518 1.00 0.00 N ATOM 229 CA PHE A 11 -13.923 9.099 4.380 1.00 0.00 C ATOM 230 C PHE A 11 -15.069 8.194 3.931 1.00 0.00 C ATOM 231 O PHE A 11 -14.929 6.981 3.831 1.00 0.00 O ATOM 232 CB PHE A 11 -14.159 9.587 5.817 1.00 0.00 C ATOM 233 CG PHE A 11 -14.653 8.559 6.824 1.00 0.00 C ATOM 234 CD1 PHE A 11 -16.021 8.219 6.909 1.00 0.00 C ATOM 235 CD2 PHE A 11 -13.759 8.024 7.767 1.00 0.00 C ATOM 236 CE1 PHE A 11 -16.484 7.378 7.936 1.00 0.00 C ATOM 237 CE2 PHE A 11 -14.232 7.231 8.824 1.00 0.00 C ATOM 238 CZ PHE A 11 -15.596 6.917 8.919 1.00 0.00 C ATOM 0 H PHE A 11 -13.829 11.148 4.055 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.998 8.525 4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.224 10.005 6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.882 10.402 5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -16.716 8.608 6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.701 8.224 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -17.524 7.087 7.968 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.542 6.861 9.568 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.960 6.324 9.745 1.00 0.00 H new ATOM 248 N GLU A 12 -16.216 8.808 3.625 1.00 0.00 N ATOM 249 CA GLU A 12 -17.413 8.110 3.188 1.00 0.00 C ATOM 250 C GLU A 12 -17.114 7.224 1.972 1.00 0.00 C ATOM 251 O GLU A 12 -17.535 6.063 1.905 1.00 0.00 O ATOM 252 CB GLU A 12 -18.534 9.141 2.938 1.00 0.00 C ATOM 253 CG GLU A 12 -18.211 10.253 1.918 1.00 0.00 C ATOM 254 CD GLU A 12 -19.343 11.279 1.842 1.00 0.00 C ATOM 255 OE1 GLU A 12 -19.530 12.044 2.820 1.00 0.00 O ATOM 256 OE2 GLU A 12 -20.077 11.300 0.833 1.00 0.00 O ATOM 0 H GLU A 12 -16.333 9.820 3.677 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.761 7.431 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.422 8.608 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.789 9.609 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.283 10.751 2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.049 9.812 0.934 1.00 0.00 H new ATOM 263 N TYR A 13 -16.394 7.793 1.012 1.00 0.00 N ATOM 264 CA TYR A 13 -15.978 7.176 -0.229 1.00 0.00 C ATOM 265 C TYR A 13 -14.957 6.085 0.079 1.00 0.00 C ATOM 266 O TYR A 13 -15.130 4.952 -0.365 1.00 0.00 O ATOM 267 CB TYR A 13 -15.396 8.273 -1.135 1.00 0.00 C ATOM 268 CG TYR A 13 -15.368 7.984 -2.620 1.00 0.00 C ATOM 269 CD1 TYR A 13 -14.662 6.875 -3.118 1.00 0.00 C ATOM 270 CD2 TYR A 13 -16.033 8.849 -3.510 1.00 0.00 C ATOM 271 CE1 TYR A 13 -14.646 6.614 -4.496 1.00 0.00 C ATOM 272 CE2 TYR A 13 -16.039 8.581 -4.889 1.00 0.00 C ATOM 273 CZ TYR A 13 -15.348 7.456 -5.386 1.00 0.00 C ATOM 274 OH TYR A 13 -15.337 7.200 -6.719 1.00 0.00 O ATOM 0 H TYR A 13 -16.068 8.756 1.090 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.815 6.708 -0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.971 9.185 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.376 8.478 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.132 6.224 -2.439 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.541 9.723 -3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.095 5.767 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.570 9.234 -5.566 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.871 7.876 -7.186 1.00 0.00 H new ATOM 284 N ARG A 14 -13.906 6.409 0.851 1.00 0.00 N ATOM 285 CA ARG A 14 -12.865 5.444 1.187 1.00 0.00 C ATOM 286 C ARG A 14 -13.436 4.228 1.888 1.00 0.00 C ATOM 287 O ARG A 14 -13.093 3.116 1.484 1.00 0.00 O ATOM 288 CB ARG A 14 -11.800 6.077 2.104 1.00 0.00 C ATOM 289 CG ARG A 14 -10.874 7.098 1.438 1.00 0.00 C ATOM 290 CD ARG A 14 -9.944 6.481 0.380 1.00 0.00 C ATOM 291 NE ARG A 14 -10.515 6.556 -0.977 1.00 0.00 N ATOM 292 CZ ARG A 14 -10.729 5.554 -1.843 1.00 0.00 C ATOM 293 NH1 ARG A 14 -10.534 4.275 -1.535 1.00 0.00 N ATOM 294 NH2 ARG A 14 -11.183 5.843 -3.054 1.00 0.00 N ATOM 0 H ARG A 14 -13.762 7.336 1.251 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.410 5.137 0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.307 6.563 2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.188 5.279 2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.479 7.875 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.269 7.583 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.984 6.997 0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.750 5.439 0.633 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.781 7.487 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.207 4.019 -0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.712 3.550 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.363 6.813 -3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.352 5.095 -3.727 1.00 0.00 H new ATOM 308 N LYS A 15 -14.370 4.390 2.821 1.00 0.00 N ATOM 309 CA LYS A 15 -14.925 3.242 3.511 1.00 0.00 C ATOM 310 C LYS A 15 -15.846 2.441 2.598 1.00 0.00 C ATOM 311 O LYS A 15 -15.854 1.210 2.694 1.00 0.00 O ATOM 312 CB LYS A 15 -15.648 3.682 4.787 1.00 0.00 C ATOM 313 CG LYS A 15 -15.764 2.499 5.767 1.00 0.00 C ATOM 314 CD LYS A 15 -17.204 2.269 6.226 1.00 0.00 C ATOM 315 CE LYS A 15 -17.776 3.408 7.072 1.00 0.00 C ATOM 316 NZ LYS A 15 -17.078 3.531 8.362 1.00 0.00 N ATOM 0 H LYS A 15 -14.750 5.292 3.110 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.103 2.586 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.105 4.502 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.641 4.058 4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.388 1.595 5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.133 2.686 6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.836 2.128 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.248 1.345 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.694 4.346 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.837 3.233 7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.757 3.397 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.334 2.807 8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.649 4.476 8.436 1.00 0.00 H new ATOM 330 N LYS A 16 -16.653 3.085 1.740 1.00 0.00 N ATOM 331 CA LYS A 16 -17.545 2.325 0.856 1.00 0.00 C ATOM 332 C LYS A 16 -16.741 1.503 -0.145 1.00 0.00 C ATOM 333 O LYS A 16 -16.930 0.289 -0.220 1.00 0.00 O ATOM 334 CB LYS A 16 -18.544 3.242 0.138 1.00 0.00 C ATOM 335 CG LYS A 16 -19.652 3.683 1.101 1.00 0.00 C ATOM 336 CD LYS A 16 -20.653 4.649 0.461 1.00 0.00 C ATOM 337 CE LYS A 16 -21.547 5.291 1.533 1.00 0.00 C ATOM 338 NZ LYS A 16 -20.869 6.419 2.204 1.00 0.00 N ATOM 0 H LYS A 16 -16.706 4.099 1.641 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.121 1.639 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.026 4.117 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.980 2.719 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.185 2.803 1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.201 4.160 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.118 5.425 -0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.270 4.116 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.471 5.643 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.824 4.540 2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.138 6.438 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.839 6.302 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.152 7.312 1.753 1.00 0.00 H new ATOM 352 N GLU A 17 -15.833 2.133 -0.886 1.00 0.00 N ATOM 353 CA GLU A 17 -15.022 1.451 -1.886 1.00 0.00 C ATOM 354 C GLU A 17 -14.044 0.468 -1.238 1.00 0.00 C ATOM 355 O GLU A 17 -13.887 -0.641 -1.754 1.00 0.00 O ATOM 356 CB GLU A 17 -14.348 2.494 -2.797 1.00 0.00 C ATOM 357 CG GLU A 17 -15.077 2.715 -4.139 1.00 0.00 C ATOM 358 CD GLU A 17 -16.604 2.560 -4.129 1.00 0.00 C ATOM 359 OE1 GLU A 17 -17.325 3.301 -3.427 1.00 0.00 O ATOM 360 OE2 GLU A 17 -17.086 1.664 -4.869 1.00 0.00 O ATOM 0 H GLU A 17 -15.640 3.132 -0.809 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.659 0.835 -2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.290 3.444 -2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.324 2.179 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.839 3.718 -4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.669 2.014 -4.867 1.00 0.00 H new ATOM 367 N GLY A 18 -13.444 0.818 -0.095 1.00 0.00 N ATOM 368 CA GLY A 18 -12.504 -0.040 0.623 1.00 0.00 C ATOM 369 C GLY A 18 -13.226 -1.298 1.097 1.00 0.00 C ATOM 370 O GLY A 18 -12.767 -2.422 0.869 1.00 0.00 O ATOM 0 H GLY A 18 -13.602 1.717 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.671 -0.309 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.084 0.495 1.475 1.00 0.00 H new ATOM 374 N GLU A 19 -14.414 -1.142 1.695 1.00 0.00 N ATOM 375 CA GLU A 19 -15.172 -2.296 2.146 1.00 0.00 C ATOM 376 C GLU A 19 -15.609 -3.123 0.933 1.00 0.00 C ATOM 377 O GLU A 19 -15.632 -4.354 0.995 1.00 0.00 O ATOM 378 CB GLU A 19 -16.400 -1.895 2.979 1.00 0.00 C ATOM 379 CG GLU A 19 -17.251 -3.138 3.288 1.00 0.00 C ATOM 380 CD GLU A 19 -18.198 -2.972 4.472 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.135 -2.136 4.428 1.00 0.00 O ATOM 382 OE2 GLU A 19 -18.040 -3.752 5.438 1.00 0.00 O ATOM 0 H GLU A 19 -14.858 -0.241 1.872 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.524 -2.890 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.082 -1.421 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.996 -1.162 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.835 -3.393 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.586 -3.979 3.485 1.00 0.00 H new ATOM 389 N LYS A 20 -15.907 -2.481 -0.198 1.00 0.00 N ATOM 390 CA LYS A 20 -16.357 -3.214 -1.364 1.00 0.00 C ATOM 391 C LYS A 20 -15.237 -4.091 -1.921 1.00 0.00 C ATOM 392 O LYS A 20 -15.481 -5.285 -2.139 1.00 0.00 O ATOM 393 CB LYS A 20 -16.815 -2.188 -2.422 1.00 0.00 C ATOM 394 CG LYS A 20 -17.513 -2.779 -3.650 1.00 0.00 C ATOM 395 CD LYS A 20 -18.937 -3.257 -3.330 1.00 0.00 C ATOM 396 CE LYS A 20 -19.691 -3.636 -4.608 1.00 0.00 C ATOM 397 NZ LYS A 20 -19.907 -2.481 -5.504 1.00 0.00 N ATOM 0 H LYS A 20 -15.844 -1.471 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.182 -3.873 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.492 -1.479 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.945 -1.623 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.552 -2.029 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.927 -3.615 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.894 -4.116 -2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.478 -2.471 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.132 -4.405 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.655 -4.070 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.650 -2.711 -6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.200 -1.656 -4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.023 -2.261 -6.007 1.00 0.00 H new ATOM 411 N ILE A 21 -14.019 -3.565 -2.087 1.00 0.00 N ATOM 412 CA ILE A 21 -12.933 -4.366 -2.645 1.00 0.00 C ATOM 413 C ILE A 21 -12.448 -5.442 -1.665 1.00 0.00 C ATOM 414 O ILE A 21 -12.186 -6.566 -2.097 1.00 0.00 O ATOM 415 CB ILE A 21 -11.802 -3.417 -3.130 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.713 -4.124 -3.955 1.00 0.00 C ATOM 417 CG2 ILE A 21 -11.101 -2.653 -1.993 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.184 -4.544 -5.346 1.00 0.00 C ATOM 0 H ILE A 21 -13.766 -2.606 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.298 -4.923 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.338 -2.711 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.855 -3.460 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.372 -5.006 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.325 -2.012 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.830 -2.041 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.651 -3.364 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.367 -5.036 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.024 -5.233 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.498 -3.663 -5.905 1.00 0.00 H new ATOM 430 N ARG A 22 -12.515 -5.209 -0.347 1.00 0.00 N ATOM 431 CA ARG A 22 -12.055 -6.210 0.621 1.00 0.00 C ATOM 432 C ARG A 22 -13.104 -7.289 0.830 1.00 0.00 C ATOM 433 O ARG A 22 -12.758 -8.455 0.981 1.00 0.00 O ATOM 434 CB ARG A 22 -11.572 -5.541 1.918 1.00 0.00 C ATOM 435 CG ARG A 22 -12.671 -5.013 2.846 1.00 0.00 C ATOM 436 CD ARG A 22 -13.125 -6.025 3.903 1.00 0.00 C ATOM 437 NE ARG A 22 -14.442 -5.668 4.467 1.00 0.00 N ATOM 438 CZ ARG A 22 -15.230 -6.492 5.169 1.00 0.00 C ATOM 439 NH1 ARG A 22 -14.800 -7.715 5.462 1.00 0.00 N ATOM 440 NH2 ARG A 22 -16.441 -6.102 5.562 1.00 0.00 N ATOM 0 H ARG A 22 -12.877 -4.350 0.067 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.184 -6.725 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.969 -6.260 2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.916 -4.711 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.310 -4.115 3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.531 -4.719 2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.176 -7.019 3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.386 -6.072 4.703 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.778 -4.718 4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.877 -8.019 5.153 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.393 -8.350 5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.777 -5.167 5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.033 -6.738 6.096 1.00 0.00 H new ATOM 454 N LYS A 23 -14.397 -6.944 0.838 1.00 0.00 N ATOM 455 CA LYS A 23 -15.439 -7.956 1.014 1.00 0.00 C ATOM 456 C LYS A 23 -15.422 -8.864 -0.206 1.00 0.00 C ATOM 457 O LYS A 23 -15.621 -10.071 -0.072 1.00 0.00 O ATOM 458 CB LYS A 23 -16.808 -7.302 1.246 1.00 0.00 C ATOM 459 CG LYS A 23 -17.787 -8.192 2.031 1.00 0.00 C ATOM 460 CD LYS A 23 -18.737 -8.987 1.130 1.00 0.00 C ATOM 461 CE LYS A 23 -19.412 -10.093 1.952 1.00 0.00 C ATOM 462 NZ LYS A 23 -20.565 -10.704 1.257 1.00 0.00 N ATOM 0 H LYS A 23 -14.740 -5.990 0.727 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.245 -8.556 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -16.668 -6.365 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.250 -7.051 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.219 -8.886 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.374 -7.568 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.490 -8.325 0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -18.186 -9.423 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.680 -10.867 2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.745 -9.679 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.981 -11.443 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.279 -9.974 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.247 -11.125 0.361 1.00 0.00 H new ATOM 476 N LYS A 24 -15.178 -8.297 -1.398 1.00 0.00 N ATOM 477 CA LYS A 24 -15.127 -9.106 -2.596 1.00 0.00 C ATOM 478 C LYS A 24 -13.903 -10.031 -2.590 1.00 0.00 C ATOM 479 O LYS A 24 -14.079 -11.234 -2.792 1.00 0.00 O ATOM 480 CB LYS A 24 -15.094 -8.175 -3.825 1.00 0.00 C ATOM 481 CG LYS A 24 -15.656 -8.839 -5.085 1.00 0.00 C ATOM 482 CD LYS A 24 -17.166 -8.612 -5.245 1.00 0.00 C ATOM 483 CE LYS A 24 -18.022 -9.264 -4.157 1.00 0.00 C ATOM 484 NZ LYS A 24 -19.473 -9.105 -4.392 1.00 0.00 N ATOM 0 H LYS A 24 -15.018 -7.300 -1.543 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.013 -9.739 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.667 -7.273 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.067 -7.863 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.138 -8.447 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.455 -9.910 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.361 -7.540 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.478 -8.997 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.783 -10.326 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.766 -8.829 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -20.002 -9.566 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.712 -8.093 -4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.728 -9.544 -5.300 1.00 0.00 H new ATOM 498 N TYR A 25 -12.712 -9.525 -2.248 1.00 0.00 N ATOM 499 CA TYR A 25 -11.467 -10.299 -2.232 1.00 0.00 C ATOM 500 C TYR A 25 -10.825 -10.254 -0.837 1.00 0.00 C ATOM 501 O TYR A 25 -9.813 -9.580 -0.633 1.00 0.00 O ATOM 502 CB TYR A 25 -10.531 -9.780 -3.339 1.00 0.00 C ATOM 503 CG TYR A 25 -11.209 -9.534 -4.675 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.860 -10.579 -5.363 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.240 -8.229 -5.196 1.00 0.00 C ATOM 506 CE1 TYR A 25 -12.530 -10.319 -6.574 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.904 -7.965 -6.403 1.00 0.00 C ATOM 508 CZ TYR A 25 -12.548 -9.007 -7.102 1.00 0.00 C ATOM 509 OH TYR A 25 -13.178 -8.734 -8.276 1.00 0.00 O ATOM 0 H TYR A 25 -12.585 -8.552 -1.971 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.674 -11.348 -2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.072 -8.850 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.725 -10.500 -3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.845 -11.581 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.751 -7.426 -4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.029 -11.120 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.922 -6.960 -6.799 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.088 -7.780 -8.482 1.00 0.00 H new ATOM 519 N PRO A 26 -11.364 -10.998 0.142 1.00 0.00 N ATOM 520 CA PRO A 26 -10.847 -10.991 1.504 1.00 0.00 C ATOM 521 C PRO A 26 -9.444 -11.569 1.680 1.00 0.00 C ATOM 522 O PRO A 26 -8.805 -11.258 2.690 1.00 0.00 O ATOM 523 CB PRO A 26 -11.874 -11.752 2.336 1.00 0.00 C ATOM 524 CG PRO A 26 -12.603 -12.634 1.332 1.00 0.00 C ATOM 525 CD PRO A 26 -12.543 -11.839 0.038 1.00 0.00 C ATOM 0 HA PRO A 26 -10.718 -9.957 1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.393 -12.348 3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.561 -11.071 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.119 -13.605 1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.632 -12.822 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.475 -12.502 -0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.442 -11.237 -0.093 1.00 0.00 H new ATOM 533 N ASP A 27 -8.942 -12.371 0.739 1.00 0.00 N ATOM 534 CA ASP A 27 -7.603 -12.959 0.850 1.00 0.00 C ATOM 535 C ASP A 27 -6.525 -11.945 0.470 1.00 0.00 C ATOM 536 O ASP A 27 -5.341 -12.244 0.593 1.00 0.00 O ATOM 537 CB ASP A 27 -7.440 -14.203 -0.042 1.00 0.00 C ATOM 538 CG ASP A 27 -8.451 -15.306 0.238 1.00 0.00 C ATOM 539 OD1 ASP A 27 -8.767 -15.573 1.415 1.00 0.00 O ATOM 540 OD2 ASP A 27 -8.957 -15.906 -0.742 1.00 0.00 O ATOM 0 H ASP A 27 -9.443 -12.629 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.486 -13.255 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.527 -13.902 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.435 -14.604 0.092 1.00 0.00 H new ATOM 545 N ARG A 28 -6.894 -10.756 -0.027 1.00 0.00 N ATOM 546 CA ARG A 28 -5.939 -9.730 -0.427 1.00 0.00 C ATOM 547 C ARG A 28 -6.166 -8.468 0.392 1.00 0.00 C ATOM 548 O ARG A 28 -7.296 -8.164 0.778 1.00 0.00 O ATOM 549 CB ARG A 28 -5.987 -9.497 -1.951 1.00 0.00 C ATOM 550 CG ARG A 28 -5.447 -10.675 -2.790 1.00 0.00 C ATOM 551 CD ARG A 28 -6.483 -11.768 -3.106 1.00 0.00 C ATOM 552 NE ARG A 28 -5.843 -13.065 -3.392 1.00 0.00 N ATOM 553 CZ ARG A 28 -6.352 -14.076 -4.110 1.00 0.00 C ATOM 554 NH1 ARG A 28 -7.497 -13.959 -4.774 1.00 0.00 N ATOM 555 NH2 ARG A 28 -5.703 -15.225 -4.161 1.00 0.00 N ATOM 0 H ARG A 28 -7.868 -10.484 -0.161 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.924 -10.066 -0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.018 -9.299 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.411 -8.603 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.053 -10.284 -3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.611 -11.129 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.164 -11.877 -2.262 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.083 -11.462 -3.963 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.912 -13.209 -3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.015 -13.081 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.858 -14.747 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.823 -15.337 -3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.081 -16.001 -4.704 1.00 0.00 H new ATOM 569 N VAL A 29 -5.095 -7.718 0.634 1.00 0.00 N ATOM 570 CA VAL A 29 -5.093 -6.486 1.406 1.00 0.00 C ATOM 571 C VAL A 29 -4.712 -5.328 0.466 1.00 0.00 C ATOM 572 O VAL A 29 -3.703 -5.443 -0.251 1.00 0.00 O ATOM 573 CB VAL A 29 -4.202 -6.637 2.661 1.00 0.00 C ATOM 574 CG1 VAL A 29 -4.745 -7.771 3.548 1.00 0.00 C ATOM 575 CG2 VAL A 29 -2.719 -6.935 2.389 1.00 0.00 C ATOM 0 H VAL A 29 -4.170 -7.964 0.282 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.081 -6.254 1.803 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.244 -5.661 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.115 -7.875 4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.764 -7.537 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.741 -8.706 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.186 -7.021 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.631 -7.870 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.287 -6.125 1.802 1.00 0.00 H new ATOM 585 N PRO A 30 -5.544 -4.268 0.376 1.00 0.00 N ATOM 586 CA PRO A 30 -5.316 -3.103 -0.470 1.00 0.00 C ATOM 587 C PRO A 30 -4.255 -2.203 0.171 1.00 0.00 C ATOM 588 O PRO A 30 -4.385 -1.833 1.340 1.00 0.00 O ATOM 589 CB PRO A 30 -6.668 -2.393 -0.564 1.00 0.00 C ATOM 590 CG PRO A 30 -7.336 -2.716 0.764 1.00 0.00 C ATOM 591 CD PRO A 30 -6.756 -4.071 1.160 1.00 0.00 C ATOM 0 HA PRO A 30 -4.949 -3.370 -1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.548 -1.318 -0.701 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.255 -2.758 -1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.118 -1.956 1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.420 -2.762 0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.532 -4.097 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.474 -4.868 0.965 1.00 0.00 H new ATOM 599 N VAL A 31 -3.233 -1.806 -0.588 1.00 0.00 N ATOM 600 CA VAL A 31 -2.148 -0.978 -0.092 1.00 0.00 C ATOM 601 C VAL A 31 -1.915 0.233 -0.995 1.00 0.00 C ATOM 602 O VAL A 31 -1.931 0.117 -2.224 1.00 0.00 O ATOM 603 CB VAL A 31 -0.873 -1.840 0.031 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.182 -1.131 0.876 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.114 -3.237 0.639 1.00 0.00 C ATOM 0 H VAL A 31 -3.140 -2.056 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.414 -0.590 0.891 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.530 -1.978 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.071 -1.757 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.444 -0.181 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.215 -0.947 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.170 -3.779 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.527 -3.131 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.816 -3.790 0.014 1.00 0.00 H new ATOM 615 N ILE A 32 -1.688 1.393 -0.378 1.00 0.00 N ATOM 616 CA ILE A 32 -1.403 2.663 -1.031 1.00 0.00 C ATOM 617 C ILE A 32 0.111 2.785 -0.855 1.00 0.00 C ATOM 618 O ILE A 32 0.600 2.882 0.273 1.00 0.00 O ATOM 619 CB ILE A 32 -2.201 3.833 -0.411 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.717 3.750 -0.712 1.00 0.00 C ATOM 621 CG2 ILE A 32 -1.702 5.179 -0.976 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.485 2.709 0.106 1.00 0.00 C ATOM 0 H ILE A 32 -1.699 1.472 0.639 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.705 2.702 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.045 3.764 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.161 4.729 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.850 3.528 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.272 5.994 -0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.645 5.304 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.835 5.191 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.537 2.728 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.075 1.718 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.391 2.939 1.167 1.00 0.00 H new ATOM 634 N VAL A 33 0.852 2.730 -1.959 1.00 0.00 N ATOM 635 CA VAL A 33 2.308 2.796 -1.988 1.00 0.00 C ATOM 636 C VAL A 33 2.765 4.222 -2.325 1.00 0.00 C ATOM 637 O VAL A 33 2.488 4.682 -3.438 1.00 0.00 O ATOM 638 CB VAL A 33 2.773 1.731 -3.009 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.278 1.791 -3.279 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.418 0.310 -2.528 1.00 0.00 C ATOM 0 H VAL A 33 0.441 2.635 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 33 2.759 2.576 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 33 2.246 1.957 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.549 1.022 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.537 2.772 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.821 1.622 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.756 -0.419 -3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.908 0.116 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.338 0.227 -2.405 1.00 0.00 H new ATOM 650 N GLU A 34 3.522 4.894 -1.437 1.00 0.00 N ATOM 651 CA GLU A 34 4.009 6.260 -1.642 1.00 0.00 C ATOM 652 C GLU A 34 5.509 6.439 -1.308 1.00 0.00 C ATOM 653 O GLU A 34 6.100 5.641 -0.576 1.00 0.00 O ATOM 654 CB GLU A 34 3.065 7.207 -0.894 1.00 0.00 C ATOM 655 CG GLU A 34 3.435 7.537 0.568 1.00 0.00 C ATOM 656 CD GLU A 34 3.940 8.974 0.708 1.00 0.00 C ATOM 657 OE1 GLU A 34 3.253 9.859 0.141 1.00 0.00 O ATOM 658 OE2 GLU A 34 4.976 9.216 1.360 1.00 0.00 O ATOM 0 H GLU A 34 3.813 4.492 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 34 3.983 6.510 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.009 8.142 -1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.066 6.770 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.563 7.393 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.202 6.845 0.915 1.00 0.00 H new ATOM 665 N LYS A 35 6.149 7.469 -1.878 1.00 0.00 N ATOM 666 CA LYS A 35 7.577 7.748 -1.685 1.00 0.00 C ATOM 667 C LYS A 35 7.804 8.756 -0.559 1.00 0.00 C ATOM 668 O LYS A 35 7.283 9.874 -0.619 1.00 0.00 O ATOM 669 CB LYS A 35 8.177 8.221 -3.021 1.00 0.00 C ATOM 670 CG LYS A 35 9.714 8.233 -3.031 1.00 0.00 C ATOM 671 CD LYS A 35 10.304 9.625 -2.765 1.00 0.00 C ATOM 672 CE LYS A 35 10.510 10.457 -4.034 1.00 0.00 C ATOM 673 NZ LYS A 35 9.247 10.887 -4.668 1.00 0.00 N ATOM 0 H LYS A 35 5.685 8.138 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 35 8.087 6.836 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.821 7.571 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.812 9.225 -3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.082 7.538 -2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.069 7.872 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.643 10.167 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.261 9.513 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.103 11.338 -3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.087 9.874 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.457 11.528 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.736 10.054 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.658 11.382 -3.968 1.00 0.00 H new ATOM 687 N ALA A 36 8.707 8.423 0.362 1.00 0.00 N ATOM 688 CA ALA A 36 9.048 9.238 1.524 1.00 0.00 C ATOM 689 C ALA A 36 10.190 10.207 1.192 1.00 0.00 C ATOM 690 O ALA A 36 10.907 10.019 0.208 1.00 0.00 O ATOM 691 CB ALA A 36 9.449 8.253 2.626 1.00 0.00 C ATOM 0 H ALA A 36 9.237 7.552 0.318 1.00 0.00 H new ATOM 0 HA ALA A 36 8.209 9.857 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.717 8.805 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.612 7.589 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.304 7.664 2.294 1.00 0.00 H new ATOM 697 N PRO A 37 10.350 11.274 1.991 1.00 0.00 N ATOM 698 CA PRO A 37 11.370 12.291 1.774 1.00 0.00 C ATOM 699 C PRO A 37 12.794 11.780 1.969 1.00 0.00 C ATOM 700 O PRO A 37 13.037 10.826 2.702 1.00 0.00 O ATOM 701 CB PRO A 37 11.055 13.393 2.792 1.00 0.00 C ATOM 702 CG PRO A 37 10.336 12.644 3.911 1.00 0.00 C ATOM 703 CD PRO A 37 9.562 11.578 3.177 1.00 0.00 C ATOM 0 HA PRO A 37 11.339 12.636 0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.962 13.879 3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.426 14.171 2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.040 12.212 4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.676 13.302 4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.429 10.692 3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.567 11.931 2.907 1.00 0.00 H new ATOM 711 N LYS A 38 13.744 12.519 1.388 1.00 0.00 N ATOM 712 CA LYS A 38 15.185 12.279 1.421 1.00 0.00 C ATOM 713 C LYS A 38 15.577 10.911 0.851 1.00 0.00 C ATOM 714 O LYS A 38 16.689 10.451 1.120 1.00 0.00 O ATOM 715 CB LYS A 38 15.740 12.527 2.844 1.00 0.00 C ATOM 716 CG LYS A 38 15.421 13.924 3.415 1.00 0.00 C ATOM 717 CD LYS A 38 15.967 14.097 4.842 1.00 0.00 C ATOM 718 CE LYS A 38 15.111 13.414 5.924 1.00 0.00 C ATOM 719 NZ LYS A 38 14.004 14.268 6.418 1.00 0.00 N ATOM 0 H LYS A 38 13.510 13.353 0.849 1.00 0.00 H new ATOM 0 HA LYS A 38 15.657 13.000 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.334 11.771 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.821 12.392 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.850 14.688 2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.342 14.078 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.979 13.694 4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.038 15.161 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.696 12.490 5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.750 13.137 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.465 13.753 7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.395 15.139 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.374 14.512 5.627 1.00 0.00 H new ATOM 733 N ALA A 39 14.710 10.217 0.111 1.00 0.00 N ATOM 734 CA ALA A 39 15.034 8.915 -0.464 1.00 0.00 C ATOM 735 C ALA A 39 15.765 9.108 -1.796 1.00 0.00 C ATOM 736 O ALA A 39 15.716 10.193 -2.378 1.00 0.00 O ATOM 737 CB ALA A 39 13.743 8.124 -0.681 1.00 0.00 C ATOM 0 H ALA A 39 13.768 10.542 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 39 15.683 8.363 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.980 7.151 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.236 7.985 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.091 8.671 -1.362 1.00 0.00 H new ATOM 743 N ARG A 40 16.443 8.081 -2.313 1.00 0.00 N ATOM 744 CA ARG A 40 17.145 8.129 -3.600 1.00 0.00 C ATOM 745 C ARG A 40 16.687 6.904 -4.389 1.00 0.00 C ATOM 746 O ARG A 40 17.469 6.006 -4.675 1.00 0.00 O ATOM 747 CB ARG A 40 18.662 8.241 -3.371 1.00 0.00 C ATOM 748 CG ARG A 40 19.459 8.776 -4.573 1.00 0.00 C ATOM 749 CD ARG A 40 19.585 7.872 -5.804 1.00 0.00 C ATOM 750 NE ARG A 40 20.303 6.622 -5.510 1.00 0.00 N ATOM 751 CZ ARG A 40 21.626 6.472 -5.404 1.00 0.00 C ATOM 752 NH1 ARG A 40 22.439 7.481 -5.688 1.00 0.00 N ATOM 753 NH2 ARG A 40 22.155 5.324 -5.010 1.00 0.00 N ATOM 0 H ARG A 40 16.522 7.179 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 40 16.904 9.013 -4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.839 8.894 -2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 40 19.049 7.257 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 40 18.999 9.712 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.465 9.015 -4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 40 18.590 7.636 -6.182 1.00 0.00 H new ATOM 0 HD3 ARG A 40 20.107 8.410 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 40 19.734 5.787 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 40 22.055 8.377 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 40 23.449 7.361 -5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 40 21.550 4.535 -4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 40 23.168 5.228 -4.935 1.00 0.00 H new ATOM 767 N VAL A 41 15.384 6.825 -4.644 1.00 0.00 N ATOM 768 CA VAL A 41 14.756 5.728 -5.368 1.00 0.00 C ATOM 769 C VAL A 41 13.769 6.295 -6.394 1.00 0.00 C ATOM 770 O VAL A 41 13.209 7.370 -6.144 1.00 0.00 O ATOM 771 CB VAL A 41 14.070 4.775 -4.361 1.00 0.00 C ATOM 772 CG1 VAL A 41 15.090 4.091 -3.436 1.00 0.00 C ATOM 773 CG2 VAL A 41 13.019 5.483 -3.485 1.00 0.00 C ATOM 0 H VAL A 41 14.721 7.540 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 41 15.503 5.151 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 41 13.567 4.028 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.568 3.430 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.791 3.509 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 41 15.635 4.848 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.573 4.763 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.497 6.279 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.242 5.908 -4.121 1.00 0.00 H new ATOM 783 N PRO A 42 13.518 5.616 -7.526 1.00 0.00 N ATOM 784 CA PRO A 42 12.566 6.091 -8.514 1.00 0.00 C ATOM 785 C PRO A 42 11.153 5.993 -7.937 1.00 0.00 C ATOM 786 O PRO A 42 10.874 5.175 -7.056 1.00 0.00 O ATOM 787 CB PRO A 42 12.745 5.180 -9.731 1.00 0.00 C ATOM 788 CG PRO A 42 13.212 3.868 -9.106 1.00 0.00 C ATOM 789 CD PRO A 42 14.101 4.359 -7.965 1.00 0.00 C ATOM 0 HA PRO A 42 12.726 7.133 -8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.814 5.056 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.480 5.579 -10.430 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.377 3.269 -8.744 1.00 0.00 H new ATOM 0 HG3 PRO A 42 13.763 3.251 -9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 42 14.129 3.635 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.128 4.500 -8.302 1.00 0.00 H new ATOM 797 N ASP A 43 10.275 6.869 -8.414 1.00 0.00 N ATOM 798 CA ASP A 43 8.879 6.935 -8.006 1.00 0.00 C ATOM 799 C ASP A 43 8.027 6.045 -8.914 1.00 0.00 C ATOM 800 O ASP A 43 8.483 5.597 -9.966 1.00 0.00 O ATOM 801 CB ASP A 43 8.381 8.385 -7.999 1.00 0.00 C ATOM 802 CG ASP A 43 8.319 8.984 -9.401 1.00 0.00 C ATOM 803 OD1 ASP A 43 9.393 9.368 -9.922 1.00 0.00 O ATOM 804 OD2 ASP A 43 7.205 9.162 -9.943 1.00 0.00 O ATOM 0 H ASP A 43 10.522 7.570 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 43 8.788 6.561 -6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.391 8.424 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.040 8.990 -7.377 1.00 0.00 H new ATOM 809 N LEU A 44 6.790 5.766 -8.496 1.00 0.00 N ATOM 810 CA LEU A 44 5.846 4.922 -9.228 1.00 0.00 C ATOM 811 C LEU A 44 4.640 5.734 -9.689 1.00 0.00 C ATOM 812 O LEU A 44 4.241 6.680 -9.006 1.00 0.00 O ATOM 813 CB LEU A 44 5.337 3.786 -8.315 1.00 0.00 C ATOM 814 CG LEU A 44 6.239 2.556 -8.120 1.00 0.00 C ATOM 815 CD1 LEU A 44 6.676 1.899 -9.433 1.00 0.00 C ATOM 816 CD2 LEU A 44 7.455 2.857 -7.245 1.00 0.00 C ATOM 0 H LEU A 44 6.410 6.128 -7.621 1.00 0.00 H new ATOM 0 HA LEU A 44 6.367 4.513 -10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.137 4.212 -7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.383 3.440 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 44 5.611 1.834 -7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.309 1.039 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.796 1.571 -9.986 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.234 2.619 -10.032 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.059 1.956 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.052 3.641 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.122 3.189 -6.261 1.00 0.00 H new ATOM 828 N ASP A 45 4.029 5.315 -10.800 1.00 0.00 N ATOM 829 CA ASP A 45 2.843 5.950 -11.381 1.00 0.00 C ATOM 830 C ASP A 45 1.623 5.464 -10.607 1.00 0.00 C ATOM 831 O ASP A 45 0.924 6.245 -9.961 1.00 0.00 O ATOM 832 CB ASP A 45 2.657 5.590 -12.863 1.00 0.00 C ATOM 833 CG ASP A 45 3.725 6.200 -13.751 1.00 0.00 C ATOM 834 OD1 ASP A 45 3.610 7.379 -14.144 1.00 0.00 O ATOM 835 OD2 ASP A 45 4.686 5.462 -14.069 1.00 0.00 O ATOM 0 H ASP A 45 4.352 4.507 -11.332 1.00 0.00 H new ATOM 0 HA ASP A 45 2.966 7.031 -11.315 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.673 4.506 -12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.676 5.930 -13.195 1.00 0.00 H new ATOM 840 N LYS A 46 1.334 4.158 -10.689 1.00 0.00 N ATOM 841 CA LYS A 46 0.204 3.563 -9.986 1.00 0.00 C ATOM 842 C LYS A 46 0.476 3.673 -8.491 1.00 0.00 C ATOM 843 O LYS A 46 1.640 3.602 -8.065 1.00 0.00 O ATOM 844 CB LYS A 46 -0.030 2.093 -10.362 1.00 0.00 C ATOM 845 CG LYS A 46 -0.401 1.802 -11.824 1.00 0.00 C ATOM 846 CD LYS A 46 0.802 1.650 -12.766 1.00 0.00 C ATOM 847 CE LYS A 46 0.328 1.052 -14.093 1.00 0.00 C ATOM 848 NZ LYS A 46 1.425 0.875 -15.066 1.00 0.00 N ATOM 0 H LYS A 46 1.876 3.494 -11.242 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.700 4.101 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.874 1.533 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.824 1.702 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.993 0.888 -11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.036 2.608 -12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.271 2.619 -12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.556 1.007 -12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.143 0.087 -13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.435 1.699 -14.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.047 0.467 -15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.859 1.797 -15.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.142 0.235 -14.668 1.00 0.00 H new ATOM 862 N ARG A 47 -0.579 3.787 -7.683 1.00 0.00 N ATOM 863 CA ARG A 47 -0.434 3.922 -6.232 1.00 0.00 C ATOM 864 C ARG A 47 -1.231 2.887 -5.453 1.00 0.00 C ATOM 865 O ARG A 47 -0.720 2.396 -4.446 1.00 0.00 O ATOM 866 CB ARG A 47 -0.782 5.354 -5.765 1.00 0.00 C ATOM 867 CG ARG A 47 -0.430 6.493 -6.747 1.00 0.00 C ATOM 868 CD ARG A 47 -0.123 7.813 -6.033 1.00 0.00 C ATOM 869 NE ARG A 47 1.300 7.885 -5.656 1.00 0.00 N ATOM 870 CZ ARG A 47 1.858 8.787 -4.841 1.00 0.00 C ATOM 871 NH1 ARG A 47 1.115 9.601 -4.106 1.00 0.00 N ATOM 872 NH2 ARG A 47 3.178 8.881 -4.741 1.00 0.00 N ATOM 0 H ARG A 47 -1.545 3.789 -8.009 1.00 0.00 H new ATOM 0 HA ARG A 47 0.617 3.732 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.851 5.397 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.268 5.542 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.433 6.199 -7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.260 6.642 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.374 8.651 -6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.745 7.903 -5.142 1.00 0.00 H new ATOM 0 HE ARG A 47 1.919 7.179 -6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.098 9.547 -4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.560 10.282 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.776 8.262 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.594 9.572 -4.117 1.00 0.00 H new ATOM 886 N LYS A 48 -2.443 2.551 -5.897 1.00 0.00 N ATOM 887 CA LYS A 48 -3.313 1.584 -5.231 1.00 0.00 C ATOM 888 C LYS A 48 -3.040 0.174 -5.770 1.00 0.00 C ATOM 889 O LYS A 48 -3.226 -0.092 -6.961 1.00 0.00 O ATOM 890 CB LYS A 48 -4.771 2.070 -5.401 1.00 0.00 C ATOM 891 CG LYS A 48 -5.232 2.385 -6.841 1.00 0.00 C ATOM 892 CD LYS A 48 -6.314 3.474 -6.898 1.00 0.00 C ATOM 893 CE LYS A 48 -6.532 3.934 -8.348 1.00 0.00 C ATOM 894 NZ LYS A 48 -7.340 5.163 -8.449 1.00 0.00 N ATOM 0 H LYS A 48 -2.853 2.950 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.115 1.518 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.434 1.309 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.903 2.968 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.372 2.703 -7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.615 1.475 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.248 3.090 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.019 4.322 -6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.564 4.103 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.023 3.137 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.453 5.423 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.276 4.999 -8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.862 5.935 -7.942 1.00 0.00 H new ATOM 908 N TYR A 49 -2.687 -0.751 -4.874 1.00 0.00 N ATOM 909 CA TYR A 49 -2.354 -2.140 -5.180 1.00 0.00 C ATOM 910 C TYR A 49 -3.015 -3.127 -4.206 1.00 0.00 C ATOM 911 O TYR A 49 -3.525 -2.708 -3.172 1.00 0.00 O ATOM 912 CB TYR A 49 -0.827 -2.291 -5.086 1.00 0.00 C ATOM 913 CG TYR A 49 -0.012 -1.721 -6.234 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.222 -2.504 -7.381 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.573 -0.444 -6.131 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.040 -2.023 -8.418 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.393 0.046 -7.165 1.00 0.00 C ATOM 918 CZ TYR A 49 1.635 -0.746 -8.311 1.00 0.00 C ATOM 919 OH TYR A 49 2.465 -0.283 -9.287 1.00 0.00 O ATOM 0 H TYR A 49 -2.624 -0.542 -3.878 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.724 -2.372 -6.179 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.494 -1.815 -4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.595 -3.352 -4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.230 -3.481 -7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.392 0.162 -5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.213 -2.629 -9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.837 1.027 -7.083 1.00 0.00 H new ATOM 0 HH TYR A 49 2.782 0.613 -9.049 1.00 0.00 H new ATOM 929 N LEU A 50 -2.982 -4.439 -4.484 1.00 0.00 N ATOM 930 CA LEU A 50 -3.552 -5.509 -3.643 1.00 0.00 C ATOM 931 C LEU A 50 -2.558 -6.659 -3.626 1.00 0.00 C ATOM 932 O LEU A 50 -2.118 -7.079 -4.701 1.00 0.00 O ATOM 933 CB LEU A 50 -4.894 -6.085 -4.167 1.00 0.00 C ATOM 934 CG LEU A 50 -6.179 -5.372 -3.700 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.347 -5.616 -4.666 1.00 0.00 C ATOM 936 CD2 LEU A 50 -6.640 -5.909 -2.343 1.00 0.00 C ATOM 0 H LEU A 50 -2.542 -4.800 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.743 -5.069 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.871 -6.067 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.956 -7.131 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.930 -4.312 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.234 -5.097 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.086 -5.239 -5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.551 -6.685 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.548 -5.390 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.842 -6.977 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.859 -5.743 -1.601 1.00 0.00 H new ATOM 948 N VAL A 51 -2.238 -7.174 -2.439 1.00 0.00 N ATOM 949 CA VAL A 51 -1.316 -8.308 -2.253 1.00 0.00 C ATOM 950 C VAL A 51 -2.000 -9.311 -1.325 1.00 0.00 C ATOM 951 O VAL A 51 -2.854 -8.884 -0.545 1.00 0.00 O ATOM 952 CB VAL A 51 0.050 -7.858 -1.693 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.871 -7.161 -2.781 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.060 -6.956 -0.456 1.00 0.00 C ATOM 0 H VAL A 51 -2.615 -6.814 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.101 -8.770 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 51 0.558 -8.766 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.831 -6.850 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.037 -7.850 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.330 -6.286 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.938 -6.679 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.620 -6.056 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.577 -7.492 0.340 1.00 0.00 H new ATOM 964 N PRO A 52 -1.692 -10.617 -1.376 1.00 0.00 N ATOM 965 CA PRO A 52 -2.343 -11.563 -0.492 1.00 0.00 C ATOM 966 C PRO A 52 -1.840 -11.393 0.938 1.00 0.00 C ATOM 967 O PRO A 52 -0.675 -11.066 1.172 1.00 0.00 O ATOM 968 CB PRO A 52 -2.058 -12.931 -1.084 1.00 0.00 C ATOM 969 CG PRO A 52 -0.697 -12.755 -1.721 1.00 0.00 C ATOM 970 CD PRO A 52 -0.726 -11.306 -2.224 1.00 0.00 C ATOM 0 HA PRO A 52 -3.420 -11.410 -0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.047 -13.707 -0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.812 -13.217 -1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.107 -12.915 -1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.541 -13.461 -2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.259 -10.846 -2.150 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.022 -11.261 -3.272 1.00 0.00 H new ATOM 978 N SER A 53 -2.726 -11.632 1.900 1.00 0.00 N ATOM 979 CA SER A 53 -2.440 -11.510 3.320 1.00 0.00 C ATOM 980 C SER A 53 -1.355 -12.476 3.812 1.00 0.00 C ATOM 981 O SER A 53 -0.670 -12.181 4.787 1.00 0.00 O ATOM 982 CB SER A 53 -3.747 -11.733 4.091 1.00 0.00 C ATOM 983 OG SER A 53 -4.498 -12.824 3.577 1.00 0.00 O ATOM 0 H SER A 53 -3.684 -11.923 1.706 1.00 0.00 H new ATOM 0 HA SER A 53 -2.043 -10.511 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.520 -11.914 5.142 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.351 -10.827 4.047 1.00 0.00 H new ATOM 0 HG SER A 53 -5.321 -12.930 4.099 1.00 0.00 H new ATOM 989 N ASP A 54 -1.154 -13.598 3.126 1.00 0.00 N ATOM 990 CA ASP A 54 -0.180 -14.625 3.499 1.00 0.00 C ATOM 991 C ASP A 54 1.212 -14.387 2.899 1.00 0.00 C ATOM 992 O ASP A 54 2.109 -15.212 3.105 1.00 0.00 O ATOM 993 CB ASP A 54 -0.721 -16.029 3.167 1.00 0.00 C ATOM 994 CG ASP A 54 -2.000 -16.387 3.934 1.00 0.00 C ATOM 995 OD1 ASP A 54 -2.053 -16.233 5.178 1.00 0.00 O ATOM 996 OD2 ASP A 54 -2.984 -16.816 3.295 1.00 0.00 O ATOM 0 H ASP A 54 -1.673 -13.825 2.278 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.043 -14.557 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.919 -16.090 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.047 -16.769 3.392 1.00 0.00 H new ATOM 1001 N LEU A 55 1.420 -13.314 2.126 1.00 0.00 N ATOM 1002 CA LEU A 55 2.723 -12.996 1.535 1.00 0.00 C ATOM 1003 C LEU A 55 3.629 -12.486 2.655 1.00 0.00 C ATOM 1004 O LEU A 55 3.178 -11.656 3.448 1.00 0.00 O ATOM 1005 CB LEU A 55 2.549 -11.908 0.463 1.00 0.00 C ATOM 1006 CG LEU A 55 3.848 -11.489 -0.257 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.398 -12.657 -1.089 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.556 -10.286 -1.162 1.00 0.00 C ATOM 0 H LEU A 55 0.688 -12.642 1.893 1.00 0.00 H new ATOM 0 HA LEU A 55 3.161 -13.877 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.837 -12.263 -0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.109 -11.026 0.929 1.00 0.00 H new ATOM 0 HG LEU A 55 4.599 -11.213 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.314 -12.346 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.612 -13.502 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.659 -12.953 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.470 -9.985 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.801 -10.560 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.189 -9.457 -0.558 1.00 0.00 H new ATOM 1020 N THR A 56 4.875 -12.954 2.758 1.00 0.00 N ATOM 1021 CA THR A 56 5.756 -12.470 3.815 1.00 0.00 C ATOM 1022 C THR A 56 6.230 -11.044 3.511 1.00 0.00 C ATOM 1023 O THR A 56 6.285 -10.612 2.355 1.00 0.00 O ATOM 1024 CB THR A 56 6.940 -13.421 4.051 1.00 0.00 C ATOM 1025 OG1 THR A 56 7.734 -13.579 2.897 1.00 0.00 O ATOM 1026 CG2 THR A 56 6.471 -14.804 4.507 1.00 0.00 C ATOM 0 H THR A 56 5.287 -13.651 2.137 1.00 0.00 H new ATOM 0 HA THR A 56 5.183 -12.445 4.742 1.00 0.00 H new ATOM 0 HB THR A 56 7.538 -12.958 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.476 -14.189 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.336 -15.448 4.664 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.915 -14.710 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.827 -15.240 3.743 1.00 0.00 H new ATOM 1034 N VAL A 57 6.601 -10.306 4.556 1.00 0.00 N ATOM 1035 CA VAL A 57 7.100 -8.947 4.435 1.00 0.00 C ATOM 1036 C VAL A 57 8.409 -9.017 3.635 1.00 0.00 C ATOM 1037 O VAL A 57 8.598 -8.220 2.718 1.00 0.00 O ATOM 1038 CB VAL A 57 7.222 -8.322 5.841 1.00 0.00 C ATOM 1039 CG1 VAL A 57 7.891 -6.950 5.816 1.00 0.00 C ATOM 1040 CG2 VAL A 57 5.843 -8.117 6.477 1.00 0.00 C ATOM 0 H VAL A 57 6.561 -10.643 5.518 1.00 0.00 H new ATOM 0 HA VAL A 57 6.425 -8.286 3.892 1.00 0.00 H new ATOM 0 HB VAL A 57 7.827 -9.024 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.951 -6.556 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.895 -7.042 5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.305 -6.271 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.961 -7.675 7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.249 -7.451 5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.337 -9.078 6.567 1.00 0.00 H new ATOM 1050 N GLY A 58 9.269 -10.011 3.897 1.00 0.00 N ATOM 1051 CA GLY A 58 10.529 -10.193 3.189 1.00 0.00 C ATOM 1052 C GLY A 58 10.297 -10.350 1.684 1.00 0.00 C ATOM 1053 O GLY A 58 11.004 -9.722 0.896 1.00 0.00 O ATOM 0 H GLY A 58 9.101 -10.715 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.180 -9.338 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.043 -11.073 3.575 1.00 0.00 H new ATOM 1057 N GLN A 59 9.301 -11.152 1.272 1.00 0.00 N ATOM 1058 CA GLN A 59 8.990 -11.353 -0.143 1.00 0.00 C ATOM 1059 C GLN A 59 8.617 -10.010 -0.774 1.00 0.00 C ATOM 1060 O GLN A 59 9.135 -9.663 -1.838 1.00 0.00 O ATOM 1061 CB GLN A 59 7.803 -12.324 -0.304 1.00 0.00 C ATOM 1062 CG GLN A 59 8.179 -13.800 -0.483 1.00 0.00 C ATOM 1063 CD GLN A 59 8.546 -14.098 -1.937 1.00 0.00 C ATOM 1064 OE1 GLN A 59 9.669 -13.843 -2.375 1.00 0.00 O ATOM 1065 NE2 GLN A 59 7.621 -14.616 -2.728 1.00 0.00 N ATOM 0 H GLN A 59 8.697 -11.672 1.908 1.00 0.00 H new ATOM 0 HA GLN A 59 9.866 -11.775 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.161 -12.234 0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.213 -12.010 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.019 -14.046 0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.345 -14.431 -0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.693 -14.825 -2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.835 -14.807 -3.707 1.00 0.00 H new ATOM 1074 N PHE A 60 7.753 -9.234 -0.112 1.00 0.00 N ATOM 1075 CA PHE A 60 7.328 -7.936 -0.613 1.00 0.00 C ATOM 1076 C PHE A 60 8.518 -6.972 -0.710 1.00 0.00 C ATOM 1077 O PHE A 60 8.675 -6.290 -1.727 1.00 0.00 O ATOM 1078 CB PHE A 60 6.201 -7.377 0.267 1.00 0.00 C ATOM 1079 CG PHE A 60 5.770 -5.989 -0.159 1.00 0.00 C ATOM 1080 CD1 PHE A 60 5.084 -5.802 -1.374 1.00 0.00 C ATOM 1081 CD2 PHE A 60 6.139 -4.873 0.614 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.795 -4.502 -1.822 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.841 -3.576 0.172 1.00 0.00 C ATOM 1084 CZ PHE A 60 5.176 -3.390 -1.050 1.00 0.00 C ATOM 0 H PHE A 60 7.334 -9.492 0.781 1.00 0.00 H new ATOM 0 HA PHE A 60 6.934 -8.054 -1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.344 -8.049 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.534 -7.349 1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.780 -6.656 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.654 -5.016 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.280 -4.357 -2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.123 -2.722 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.957 -2.391 -1.398 1.00 0.00 H new ATOM 1094 N TYR A 61 9.385 -6.934 0.306 1.00 0.00 N ATOM 1095 CA TYR A 61 10.554 -6.062 0.327 1.00 0.00 C ATOM 1096 C TYR A 61 11.455 -6.371 -0.874 1.00 0.00 C ATOM 1097 O TYR A 61 12.018 -5.453 -1.479 1.00 0.00 O ATOM 1098 CB TYR A 61 11.339 -6.217 1.645 1.00 0.00 C ATOM 1099 CG TYR A 61 10.806 -5.510 2.885 1.00 0.00 C ATOM 1100 CD1 TYR A 61 9.463 -5.097 2.994 1.00 0.00 C ATOM 1101 CD2 TYR A 61 11.689 -5.240 3.950 1.00 0.00 C ATOM 1102 CE1 TYR A 61 9.012 -4.426 4.143 1.00 0.00 C ATOM 1103 CE2 TYR A 61 11.241 -4.582 5.108 1.00 0.00 C ATOM 1104 CZ TYR A 61 9.897 -4.174 5.216 1.00 0.00 C ATOM 1105 OH TYR A 61 9.484 -3.532 6.341 1.00 0.00 O ATOM 0 H TYR A 61 9.291 -7.513 1.141 1.00 0.00 H new ATOM 0 HA TYR A 61 10.215 -5.028 0.262 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.405 -7.281 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.356 -5.864 1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.774 -5.298 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.723 -5.543 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.984 -4.101 4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.929 -4.389 5.918 1.00 0.00 H new ATOM 0 HH TYR A 61 10.234 -3.452 6.966 1.00 0.00 H new ATOM 1115 N PHE A 62 11.651 -7.659 -1.187 1.00 0.00 N ATOM 1116 CA PHE A 62 12.454 -8.083 -2.327 1.00 0.00 C ATOM 1117 C PHE A 62 11.783 -7.660 -3.633 1.00 0.00 C ATOM 1118 O PHE A 62 12.451 -7.105 -4.508 1.00 0.00 O ATOM 1119 CB PHE A 62 12.683 -9.602 -2.312 1.00 0.00 C ATOM 1120 CG PHE A 62 13.980 -9.990 -1.641 1.00 0.00 C ATOM 1121 CD1 PHE A 62 15.196 -9.658 -2.266 1.00 0.00 C ATOM 1122 CD2 PHE A 62 13.984 -10.677 -0.415 1.00 0.00 C ATOM 1123 CE1 PHE A 62 16.414 -10.020 -1.671 1.00 0.00 C ATOM 1124 CE2 PHE A 62 15.204 -11.031 0.184 1.00 0.00 C ATOM 1125 CZ PHE A 62 16.418 -10.715 -0.450 1.00 0.00 C ATOM 0 H PHE A 62 11.254 -8.432 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 62 13.427 -7.596 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.853 -10.085 -1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.683 -9.975 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.192 -9.124 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.051 -10.932 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 62 17.347 -9.765 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.209 -11.547 1.133 1.00 0.00 H new ATOM 0 HZ PHE A 62 17.355 -11.007 0.002 1.00 0.00 H new ATOM 1135 N LEU A 63 10.468 -7.853 -3.739 1.00 0.00 N ATOM 1136 CA LEU A 63 9.689 -7.517 -4.924 1.00 0.00 C ATOM 1137 C LEU A 63 9.863 -6.045 -5.287 1.00 0.00 C ATOM 1138 O LEU A 63 10.177 -5.711 -6.428 1.00 0.00 O ATOM 1139 CB LEU A 63 8.215 -7.894 -4.697 1.00 0.00 C ATOM 1140 CG LEU A 63 7.458 -8.128 -6.012 1.00 0.00 C ATOM 1141 CD1 LEU A 63 7.912 -9.440 -6.672 1.00 0.00 C ATOM 1142 CD2 LEU A 63 5.954 -8.209 -5.741 1.00 0.00 C ATOM 0 H LEU A 63 9.907 -8.255 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 63 10.054 -8.093 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.164 -8.796 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.723 -7.100 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 63 7.673 -7.294 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.364 -9.588 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.980 -9.390 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.714 -10.274 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.424 -8.375 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.751 -9.034 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.614 -7.275 -5.293 1.00 0.00 H new ATOM 1154 N ILE A 64 9.701 -5.152 -4.307 1.00 0.00 N ATOM 1155 CA ILE A 64 9.865 -3.725 -4.544 1.00 0.00 C ATOM 1156 C ILE A 64 11.340 -3.444 -4.856 1.00 0.00 C ATOM 1157 O ILE A 64 11.605 -2.681 -5.781 1.00 0.00 O ATOM 1158 CB ILE A 64 9.311 -2.916 -3.358 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.801 -3.167 -3.136 1.00 0.00 C ATOM 1160 CG2 ILE A 64 9.596 -1.414 -3.534 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.886 -2.831 -4.318 1.00 0.00 C ATOM 0 H ILE A 64 9.457 -5.396 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 64 9.285 -3.404 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 64 9.830 -3.263 -2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.661 -4.217 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.478 -2.583 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.194 -0.865 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.672 -1.253 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.124 -1.059 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.852 -3.046 -4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.985 -1.774 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.170 -3.434 -5.181 1.00 0.00 H new ATOM 1173 N ARG A 65 12.311 -4.054 -4.151 1.00 0.00 N ATOM 1174 CA ARG A 65 13.739 -3.835 -4.436 1.00 0.00 C ATOM 1175 C ARG A 65 14.023 -4.136 -5.908 1.00 0.00 C ATOM 1176 O ARG A 65 14.731 -3.376 -6.568 1.00 0.00 O ATOM 1177 CB ARG A 65 14.635 -4.681 -3.506 1.00 0.00 C ATOM 1178 CG ARG A 65 16.118 -4.585 -3.898 1.00 0.00 C ATOM 1179 CD ARG A 65 17.057 -5.183 -2.846 1.00 0.00 C ATOM 1180 NE ARG A 65 18.445 -5.185 -3.333 1.00 0.00 N ATOM 1181 CZ ARG A 65 19.488 -5.829 -2.795 1.00 0.00 C ATOM 1182 NH1 ARG A 65 19.378 -6.487 -1.645 1.00 0.00 N ATOM 1183 NH2 ARG A 65 20.648 -5.810 -3.442 1.00 0.00 N ATOM 0 H ARG A 65 12.132 -4.700 -3.382 1.00 0.00 H new ATOM 0 HA ARG A 65 13.977 -2.789 -4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.509 -4.346 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.316 -5.723 -3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.271 -5.099 -4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.379 -3.539 -4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.991 -4.608 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 65 16.747 -6.201 -2.610 1.00 0.00 H new ATOM 0 HE ARG A 65 18.633 -4.636 -4.172 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.485 -6.509 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.187 -6.970 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.729 -5.312 -4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.457 -6.293 -3.052 1.00 0.00 H new ATOM 1197 N LYS A 66 13.455 -5.231 -6.425 1.00 0.00 N ATOM 1198 CA LYS A 66 13.628 -5.641 -7.807 1.00 0.00 C ATOM 1199 C LYS A 66 13.084 -4.550 -8.728 1.00 0.00 C ATOM 1200 O LYS A 66 13.818 -4.089 -9.608 1.00 0.00 O ATOM 1201 CB LYS A 66 12.879 -6.978 -8.003 1.00 0.00 C ATOM 1202 CG LYS A 66 13.085 -7.631 -9.375 1.00 0.00 C ATOM 1203 CD LYS A 66 14.393 -8.425 -9.456 1.00 0.00 C ATOM 1204 CE LYS A 66 14.457 -9.046 -10.850 1.00 0.00 C ATOM 1205 NZ LYS A 66 15.586 -9.984 -11.019 1.00 0.00 N ATOM 0 H LYS A 66 12.859 -5.857 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 66 14.681 -5.785 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.202 -7.676 -7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.813 -6.807 -7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.247 -8.295 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.084 -6.859 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.250 -7.774 -9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.422 -9.198 -8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.523 -9.572 -11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.540 -8.251 -11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.574 -10.371 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.482 -9.481 -10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.497 -10.761 -10.333 1.00 0.00 H new ATOM 1219 N ARG A 67 11.861 -4.071 -8.481 1.00 0.00 N ATOM 1220 CA ARG A 67 11.216 -3.044 -9.296 1.00 0.00 C ATOM 1221 C ARG A 67 11.887 -1.683 -9.261 1.00 0.00 C ATOM 1222 O ARG A 67 12.082 -1.112 -10.330 1.00 0.00 O ATOM 1223 CB ARG A 67 9.762 -2.863 -8.853 1.00 0.00 C ATOM 1224 CG ARG A 67 8.866 -4.016 -9.290 1.00 0.00 C ATOM 1225 CD ARG A 67 7.401 -3.653 -9.027 1.00 0.00 C ATOM 1226 NE ARG A 67 6.508 -4.664 -9.603 1.00 0.00 N ATOM 1227 CZ ARG A 67 6.347 -4.891 -10.913 1.00 0.00 C ATOM 1228 NH1 ARG A 67 6.773 -4.021 -11.823 1.00 0.00 N ATOM 1229 NH2 ARG A 67 5.751 -5.996 -11.328 1.00 0.00 N ATOM 0 H ARG A 67 11.287 -4.391 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 67 11.294 -3.411 -10.319 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.726 -2.772 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.374 -1.931 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.015 -4.225 -10.349 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.130 -4.923 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.227 -3.575 -7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.180 -2.676 -9.458 1.00 0.00 H new ATOM 0 HE ARG A 67 5.968 -5.238 -8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.233 -3.160 -11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.640 -4.215 -12.816 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.412 -6.678 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.630 -6.166 -12.326 1.00 0.00 H new ATOM 1243 N ILE A 68 12.298 -1.166 -8.099 1.00 0.00 N ATOM 1244 CA ILE A 68 12.936 0.153 -8.027 1.00 0.00 C ATOM 1245 C ILE A 68 14.369 0.111 -8.588 1.00 0.00 C ATOM 1246 O ILE A 68 15.018 1.144 -8.697 1.00 0.00 O ATOM 1247 CB ILE A 68 12.847 0.762 -6.611 1.00 0.00 C ATOM 1248 CG1 ILE A 68 13.727 -0.020 -5.625 1.00 0.00 C ATOM 1249 CG2 ILE A 68 11.384 0.893 -6.154 1.00 0.00 C ATOM 1250 CD1 ILE A 68 13.559 0.399 -4.167 1.00 0.00 C ATOM 0 H ILE A 68 12.201 -1.637 -7.200 1.00 0.00 H new ATOM 0 HA ILE A 68 12.376 0.832 -8.670 1.00 0.00 H new ATOM 0 HB ILE A 68 13.244 1.777 -6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.498 -1.082 -5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.772 0.106 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 68 11.353 1.325 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.843 1.539 -6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.918 -0.092 -6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.216 -0.202 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.817 1.452 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.524 0.246 -3.861 1.00 0.00 H new ATOM 1262 N HIS A 69 14.856 -1.089 -8.948 1.00 0.00 N ATOM 1263 CA HIS A 69 16.154 -1.394 -9.532 1.00 0.00 C ATOM 1264 C HIS A 69 17.361 -0.673 -8.918 1.00 0.00 C ATOM 1265 O HIS A 69 18.382 -0.510 -9.595 1.00 0.00 O ATOM 1266 CB HIS A 69 16.040 -1.247 -11.063 1.00 0.00 C ATOM 1267 CG HIS A 69 15.799 0.155 -11.563 1.00 0.00 C ATOM 1268 ND1 HIS A 69 16.763 1.007 -12.045 1.00 0.00 N ATOM 1269 CD2 HIS A 69 14.586 0.776 -11.708 1.00 0.00 C ATOM 1270 CE1 HIS A 69 16.151 2.135 -12.436 1.00 0.00 C ATOM 1271 NE2 HIS A 69 14.821 2.022 -12.291 1.00 0.00 N ATOM 0 H HIS A 69 14.298 -1.934 -8.824 1.00 0.00 H new ATOM 0 HA HIS A 69 16.392 -2.427 -9.277 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.957 -1.623 -11.516 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.227 -1.884 -11.412 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.625 0.375 -11.423 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.657 3.011 -12.814 1.00 0.00 H new ATOM 0 HE2 HIS A 69 14.119 2.713 -12.556 1.00 0.00 H new ATOM 1279 N LEU A 70 17.298 -0.308 -7.634 1.00 0.00 N ATOM 1280 CA LEU A 70 18.356 0.382 -6.893 1.00 0.00 C ATOM 1281 C LEU A 70 19.690 -0.369 -6.941 1.00 0.00 C ATOM 1282 O LEU A 70 19.735 -1.568 -7.244 1.00 0.00 O ATOM 1283 CB LEU A 70 17.913 0.749 -5.469 1.00 0.00 C ATOM 1284 CG LEU A 70 17.360 -0.370 -4.570 1.00 0.00 C ATOM 1285 CD1 LEU A 70 18.348 -1.486 -4.259 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.964 0.259 -3.240 1.00 0.00 C ATOM 0 H LEU A 70 16.475 -0.493 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 70 18.539 1.328 -7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 70 18.767 1.195 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 70 17.149 1.522 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 70 16.531 -0.821 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.869 -2.228 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.667 -1.959 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.216 -1.071 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.567 -0.510 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.839 0.718 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.202 1.020 -3.410 1.00 0.00 H new ATOM 1298 N ARG A 71 20.797 0.348 -6.743 1.00 0.00 N ATOM 1299 CA ARG A 71 22.136 -0.236 -6.781 1.00 0.00 C ATOM 1300 C ARG A 71 22.287 -1.275 -5.663 1.00 0.00 C ATOM 1301 O ARG A 71 21.615 -1.193 -4.634 1.00 0.00 O ATOM 1302 CB ARG A 71 23.212 0.858 -6.669 1.00 0.00 C ATOM 1303 CG ARG A 71 22.949 2.099 -7.538 1.00 0.00 C ATOM 1304 CD ARG A 71 24.045 3.137 -7.311 1.00 0.00 C ATOM 1305 NE ARG A 71 23.651 4.443 -7.851 1.00 0.00 N ATOM 1306 CZ ARG A 71 24.457 5.492 -8.029 1.00 0.00 C ATOM 1307 NH1 ARG A 71 25.750 5.430 -7.731 1.00 0.00 N ATOM 1308 NH2 ARG A 71 23.936 6.615 -8.498 1.00 0.00 N ATOM 0 H ARG A 71 20.789 1.350 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 71 22.273 -0.737 -7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 71 23.290 1.169 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 71 24.176 0.432 -6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.917 1.816 -8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 71 21.976 2.525 -7.293 1.00 0.00 H new ATOM 0 HD2 ARG A 71 24.250 3.227 -6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 71 24.968 2.806 -7.786 1.00 0.00 H new ATOM 0 HE ARG A 71 22.673 4.560 -8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 71 26.147 4.568 -7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 71 26.346 6.245 -7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 71 22.940 6.664 -8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 71 24.530 7.431 -8.643 1.00 0.00 H new ATOM 1322 N PRO A 72 23.195 -2.245 -5.794 1.00 0.00 N ATOM 1323 CA PRO A 72 23.407 -3.281 -4.793 1.00 0.00 C ATOM 1324 C PRO A 72 23.970 -2.731 -3.483 1.00 0.00 C ATOM 1325 O PRO A 72 23.710 -3.306 -2.425 1.00 0.00 O ATOM 1326 CB PRO A 72 24.368 -4.271 -5.447 1.00 0.00 C ATOM 1327 CG PRO A 72 25.132 -3.408 -6.446 1.00 0.00 C ATOM 1328 CD PRO A 72 24.057 -2.457 -6.936 1.00 0.00 C ATOM 0 HA PRO A 72 22.465 -3.749 -4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 72 25.035 -4.727 -4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.835 -5.083 -5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.961 -2.878 -5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.552 -4.001 -7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.489 -1.519 -7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.505 -2.883 -7.773 1.00 0.00 H new ATOM 1336 N GLU A 73 24.719 -1.632 -3.539 1.00 0.00 N ATOM 1337 CA GLU A 73 25.309 -1.009 -2.362 1.00 0.00 C ATOM 1338 C GLU A 73 24.332 -0.090 -1.627 1.00 0.00 C ATOM 1339 O GLU A 73 24.689 0.445 -0.578 1.00 0.00 O ATOM 1340 CB GLU A 73 26.586 -0.257 -2.783 1.00 0.00 C ATOM 1341 CG GLU A 73 27.645 -1.170 -3.426 1.00 0.00 C ATOM 1342 CD GLU A 73 27.864 -2.479 -2.656 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.900 -2.453 -1.401 1.00 0.00 O ATOM 1344 OE2 GLU A 73 27.929 -3.552 -3.300 1.00 0.00 O ATOM 0 H GLU A 73 24.934 -1.147 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 73 25.564 -1.793 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.320 0.531 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 73 27.018 0.229 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.343 -1.403 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 73 28.590 -0.631 -3.489 1.00 0.00 H new ATOM 1351 N ASP A 74 23.141 0.134 -2.184 1.00 0.00 N ATOM 1352 CA ASP A 74 22.125 0.994 -1.591 1.00 0.00 C ATOM 1353 C ASP A 74 21.280 0.186 -0.616 1.00 0.00 C ATOM 1354 O ASP A 74 21.088 -1.020 -0.803 1.00 0.00 O ATOM 1355 CB ASP A 74 21.194 1.550 -2.672 1.00 0.00 C ATOM 1356 CG ASP A 74 21.887 2.458 -3.685 1.00 0.00 C ATOM 1357 OD1 ASP A 74 22.982 3.004 -3.408 1.00 0.00 O ATOM 1358 OD2 ASP A 74 21.330 2.633 -4.791 1.00 0.00 O ATOM 0 H ASP A 74 22.855 -0.283 -3.070 1.00 0.00 H new ATOM 0 HA ASP A 74 22.629 1.814 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.733 0.717 -3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.389 2.107 -2.192 1.00 0.00 H new ATOM 1363 N ALA A 75 20.770 0.843 0.423 1.00 0.00 N ATOM 1364 CA ALA A 75 19.915 0.206 1.412 1.00 0.00 C ATOM 1365 C ALA A 75 18.456 0.452 1.022 1.00 0.00 C ATOM 1366 O ALA A 75 18.177 1.197 0.080 1.00 0.00 O ATOM 1367 CB ALA A 75 20.251 0.726 2.804 1.00 0.00 C ATOM 0 H ALA A 75 20.940 1.833 0.600 1.00 0.00 H new ATOM 0 HA ALA A 75 20.081 -0.871 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.606 0.244 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.293 0.503 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 75 20.095 1.804 2.837 1.00 0.00 H new ATOM 1373 N LEU A 76 17.510 -0.191 1.706 1.00 0.00 N ATOM 1374 CA LEU A 76 16.093 -0.034 1.412 1.00 0.00 C ATOM 1375 C LEU A 76 15.301 -0.356 2.663 1.00 0.00 C ATOM 1376 O LEU A 76 15.506 -1.420 3.250 1.00 0.00 O ATOM 1377 CB LEU A 76 15.703 -0.990 0.276 1.00 0.00 C ATOM 1378 CG LEU A 76 14.259 -0.782 -0.213 1.00 0.00 C ATOM 1379 CD1 LEU A 76 14.052 0.606 -0.829 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.910 -1.869 -1.236 1.00 0.00 C ATOM 0 H LEU A 76 17.707 -0.831 2.475 1.00 0.00 H new ATOM 0 HA LEU A 76 15.880 0.988 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.388 -0.851 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.821 -2.019 0.617 1.00 0.00 H new ATOM 0 HG LEU A 76 13.597 -0.853 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.018 0.707 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.271 1.371 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.719 0.729 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.887 -1.725 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.594 -1.806 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.000 -2.850 -0.769 1.00 0.00 H new ATOM 1392 N PHE A 77 14.390 0.532 3.051 1.00 0.00 N ATOM 1393 CA PHE A 77 13.552 0.386 4.230 1.00 0.00 C ATOM 1394 C PHE A 77 12.133 0.825 3.909 1.00 0.00 C ATOM 1395 O PHE A 77 11.910 1.653 3.018 1.00 0.00 O ATOM 1396 CB PHE A 77 14.184 1.149 5.397 1.00 0.00 C ATOM 1397 CG PHE A 77 15.540 0.596 5.786 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.621 -0.595 6.529 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.721 1.215 5.335 1.00 0.00 C ATOM 1400 CE1 PHE A 77 16.871 -1.152 6.843 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.971 0.655 5.653 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.048 -0.525 6.409 1.00 0.00 C ATOM 0 H PHE A 77 14.212 1.395 2.538 1.00 0.00 H new ATOM 0 HA PHE A 77 13.487 -0.658 4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.288 2.200 5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.517 1.106 6.258 1.00 0.00 H new ATOM 0 HD1 PHE A 77 14.717 -1.084 6.860 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.667 2.118 4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.926 -2.064 7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.877 1.135 5.314 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.010 -0.949 6.656 1.00 0.00 H new ATOM 1412 N PHE A 78 11.163 0.233 4.599 1.00 0.00 N ATOM 1413 CA PHE A 78 9.744 0.489 4.425 1.00 0.00 C ATOM 1414 C PHE A 78 9.124 0.815 5.773 1.00 0.00 C ATOM 1415 O PHE A 78 9.622 0.365 6.808 1.00 0.00 O ATOM 1416 CB PHE A 78 9.055 -0.769 3.877 1.00 0.00 C ATOM 1417 CG PHE A 78 9.602 -1.349 2.589 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.833 -2.034 2.580 1.00 0.00 C ATOM 1419 CD2 PHE A 78 8.857 -1.243 1.401 1.00 0.00 C ATOM 1420 CE1 PHE A 78 11.342 -2.564 1.386 1.00 0.00 C ATOM 1421 CE2 PHE A 78 9.356 -1.796 0.210 1.00 0.00 C ATOM 1422 CZ PHE A 78 10.607 -2.440 0.198 1.00 0.00 C ATOM 0 H PHE A 78 11.354 -0.463 5.320 1.00 0.00 H new ATOM 0 HA PHE A 78 9.616 1.321 3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.103 -1.542 4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.001 -0.538 3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.388 -2.152 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.903 -0.737 1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.298 -3.067 1.381 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.778 -1.727 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 78 11.001 -2.838 -0.725 1.00 0.00 H new ATOM 1432 N PHE A 79 8.026 1.561 5.740 1.00 0.00 N ATOM 1433 CA PHE A 79 7.268 1.966 6.908 1.00 0.00 C ATOM 1434 C PHE A 79 5.784 1.829 6.576 1.00 0.00 C ATOM 1435 O PHE A 79 5.371 1.872 5.413 1.00 0.00 O ATOM 1436 CB PHE A 79 7.585 3.422 7.287 1.00 0.00 C ATOM 1437 CG PHE A 79 8.767 3.647 8.216 1.00 0.00 C ATOM 1438 CD1 PHE A 79 10.091 3.525 7.752 1.00 0.00 C ATOM 1439 CD2 PHE A 79 8.541 4.121 9.522 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.168 3.903 8.575 1.00 0.00 C ATOM 1441 CE2 PHE A 79 9.613 4.514 10.340 1.00 0.00 C ATOM 1442 CZ PHE A 79 10.929 4.421 9.859 1.00 0.00 C ATOM 0 H PHE A 79 7.629 1.910 4.868 1.00 0.00 H new ATOM 0 HA PHE A 79 7.533 1.335 7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.764 3.981 6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 79 6.699 3.852 7.754 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.280 3.140 6.761 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.531 4.183 9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.182 3.795 8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.426 4.887 11.336 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.755 4.747 10.474 1.00 0.00 H new ATOM 1452 N VAL A 80 4.975 1.675 7.615 1.00 0.00 N ATOM 1453 CA VAL A 80 3.525 1.550 7.596 1.00 0.00 C ATOM 1454 C VAL A 80 3.106 2.311 8.847 1.00 0.00 C ATOM 1455 O VAL A 80 3.652 2.016 9.904 1.00 0.00 O ATOM 1456 CB VAL A 80 3.081 0.069 7.578 1.00 0.00 C ATOM 1457 CG1 VAL A 80 3.913 -0.871 8.472 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.602 -0.071 7.947 1.00 0.00 C ATOM 0 H VAL A 80 5.344 1.631 8.565 1.00 0.00 H new ATOM 0 HA VAL A 80 3.053 1.955 6.701 1.00 0.00 H new ATOM 0 HB VAL A 80 3.253 -0.248 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.525 -1.887 8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.954 -0.853 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.849 -0.539 9.508 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.320 -1.124 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.437 0.329 8.948 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.994 0.482 7.231 1.00 0.00 H new ATOM 1468 N ASN A 81 2.202 3.292 8.733 1.00 0.00 N ATOM 1469 CA ASN A 81 1.711 4.134 9.833 1.00 0.00 C ATOM 1470 C ASN A 81 2.839 4.459 10.828 1.00 0.00 C ATOM 1471 O ASN A 81 2.808 4.075 11.998 1.00 0.00 O ATOM 1472 CB ASN A 81 0.474 3.513 10.501 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.308 4.552 11.302 1.00 0.00 C ATOM 1474 OD1 ASN A 81 0.251 5.468 11.899 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.618 4.428 11.346 1.00 0.00 N ATOM 0 H ASN A 81 1.776 3.531 7.838 1.00 0.00 H new ATOM 0 HA ASN A 81 1.384 5.088 9.419 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.172 3.077 9.739 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.783 2.701 11.159 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.176 5.095 11.879 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.075 3.664 10.847 1.00 0.00 H new ATOM 1482 N ASN A 82 3.902 5.097 10.318 1.00 0.00 N ATOM 1483 CA ASN A 82 5.095 5.508 11.065 1.00 0.00 C ATOM 1484 C ASN A 82 5.697 4.401 11.959 1.00 0.00 C ATOM 1485 O ASN A 82 6.313 4.698 12.984 1.00 0.00 O ATOM 1486 CB ASN A 82 4.799 6.803 11.841 1.00 0.00 C ATOM 1487 CG ASN A 82 4.415 7.980 10.951 1.00 0.00 C ATOM 1488 OD1 ASN A 82 3.303 8.491 11.005 1.00 0.00 O ATOM 1489 ND2 ASN A 82 5.320 8.446 10.108 1.00 0.00 N ATOM 0 H ASN A 82 3.954 5.351 9.331 1.00 0.00 H new ATOM 0 HA ASN A 82 5.880 5.705 10.335 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.991 6.615 12.548 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.678 7.074 12.426 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.093 9.233 9.500 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.245 8.019 10.065 1.00 0.00 H new ATOM 1496 N THR A 83 5.580 3.132 11.561 1.00 0.00 N ATOM 1497 CA THR A 83 6.062 1.947 12.267 1.00 0.00 C ATOM 1498 C THR A 83 6.898 1.080 11.316 1.00 0.00 C ATOM 1499 O THR A 83 6.672 1.073 10.101 1.00 0.00 O ATOM 1500 CB THR A 83 4.840 1.170 12.799 1.00 0.00 C ATOM 1501 OG1 THR A 83 3.978 2.043 13.492 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.207 0.025 13.751 1.00 0.00 C ATOM 0 H THR A 83 5.118 2.892 10.684 1.00 0.00 H new ATOM 0 HA THR A 83 6.699 2.232 13.104 1.00 0.00 H new ATOM 0 HB THR A 83 4.360 0.739 11.920 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.528 2.634 12.853 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.298 -0.476 14.085 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.846 -0.690 13.232 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.738 0.426 14.614 1.00 0.00 H new ATOM 1510 N ILE A 84 7.834 0.306 11.878 1.00 0.00 N ATOM 1511 CA ILE A 84 8.743 -0.594 11.180 1.00 0.00 C ATOM 1512 C ILE A 84 8.394 -2.037 11.607 1.00 0.00 C ATOM 1513 O ILE A 84 8.679 -2.422 12.747 1.00 0.00 O ATOM 1514 CB ILE A 84 10.216 -0.233 11.489 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.499 1.282 11.370 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.125 -1.026 10.531 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.921 1.685 11.779 1.00 0.00 C ATOM 0 H ILE A 84 7.981 0.294 12.887 1.00 0.00 H new ATOM 0 HA ILE A 84 8.628 -0.500 10.100 1.00 0.00 H new ATOM 0 HB ILE A 84 10.422 -0.501 12.525 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.326 1.594 10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.786 1.824 11.991 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.168 -0.784 10.735 1.00 0.00 H new ATOM 0 HG22 ILE A 84 10.965 -2.094 10.678 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.886 -0.762 9.501 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.040 2.763 11.667 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.093 1.407 12.819 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.642 1.172 11.142 1.00 0.00 H new ATOM 1529 N PRO A 85 7.748 -2.849 10.753 1.00 0.00 N ATOM 1530 CA PRO A 85 7.375 -4.226 11.076 1.00 0.00 C ATOM 1531 C PRO A 85 8.553 -5.211 10.892 1.00 0.00 C ATOM 1532 O PRO A 85 9.581 -4.866 10.297 1.00 0.00 O ATOM 1533 CB PRO A 85 6.241 -4.528 10.087 1.00 0.00 C ATOM 1534 CG PRO A 85 6.668 -3.763 8.836 1.00 0.00 C ATOM 1535 CD PRO A 85 7.347 -2.515 9.395 1.00 0.00 C ATOM 0 HA PRO A 85 7.081 -4.340 12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.146 -5.597 9.895 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.276 -4.185 10.461 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.350 -4.349 8.220 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.813 -3.508 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 85 8.211 -2.237 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.666 -1.664 9.388 1.00 0.00 H new ATOM 1543 N PRO A 86 8.446 -6.460 11.383 1.00 0.00 N ATOM 1544 CA PRO A 86 9.494 -7.456 11.218 1.00 0.00 C ATOM 1545 C PRO A 86 9.377 -8.064 9.815 1.00 0.00 C ATOM 1546 O PRO A 86 8.280 -8.373 9.344 1.00 0.00 O ATOM 1547 CB PRO A 86 9.241 -8.482 12.320 1.00 0.00 C ATOM 1548 CG PRO A 86 7.722 -8.472 12.449 1.00 0.00 C ATOM 1549 CD PRO A 86 7.329 -7.029 12.124 1.00 0.00 C ATOM 0 HA PRO A 86 10.503 -7.053 11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.617 -9.468 12.048 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.728 -8.201 13.254 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.259 -9.176 11.758 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.405 -8.755 13.453 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.414 -6.999 11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.138 -6.463 13.036 1.00 0.00 H new ATOM 1557 N THR A 87 10.503 -8.299 9.146 1.00 0.00 N ATOM 1558 CA THR A 87 10.537 -8.877 7.804 1.00 0.00 C ATOM 1559 C THR A 87 9.960 -10.300 7.756 1.00 0.00 C ATOM 1560 O THR A 87 9.540 -10.759 6.692 1.00 0.00 O ATOM 1561 CB THR A 87 11.979 -8.827 7.278 1.00 0.00 C ATOM 1562 OG1 THR A 87 12.887 -9.099 8.326 1.00 0.00 O ATOM 1563 CG2 THR A 87 12.313 -7.439 6.733 1.00 0.00 C ATOM 0 H THR A 87 11.427 -8.092 9.524 1.00 0.00 H new ATOM 0 HA THR A 87 9.893 -8.283 7.155 1.00 0.00 H new ATOM 0 HB THR A 87 12.064 -9.571 6.486 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.804 -9.067 7.981 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.340 -7.429 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.634 -7.196 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.204 -6.700 7.527 1.00 0.00 H new ATOM 1571 N SER A 88 9.905 -10.990 8.897 1.00 0.00 N ATOM 1572 CA SER A 88 9.372 -12.341 8.993 1.00 0.00 C ATOM 1573 C SER A 88 7.836 -12.369 9.046 1.00 0.00 C ATOM 1574 O SER A 88 7.259 -13.447 8.911 1.00 0.00 O ATOM 1575 CB SER A 88 9.950 -13.016 10.244 1.00 0.00 C ATOM 1576 OG SER A 88 11.359 -12.834 10.325 1.00 0.00 O ATOM 0 H SER A 88 10.234 -10.618 9.788 1.00 0.00 H new ATOM 0 HA SER A 88 9.666 -12.881 8.093 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.476 -12.603 11.135 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.719 -14.081 10.225 1.00 0.00 H new ATOM 0 HG SER A 88 11.700 -13.273 11.132 1.00 0.00 H new ATOM 1582 N ALA A 89 7.159 -11.247 9.329 1.00 0.00 N ATOM 1583 CA ALA A 89 5.696 -11.207 9.388 1.00 0.00 C ATOM 1584 C ALA A 89 5.111 -11.315 7.977 1.00 0.00 C ATOM 1585 O ALA A 89 5.840 -11.469 6.993 1.00 0.00 O ATOM 1586 CB ALA A 89 5.234 -9.923 10.094 1.00 0.00 C ATOM 0 H ALA A 89 7.607 -10.351 9.521 1.00 0.00 H new ATOM 0 HA ALA A 89 5.332 -12.056 9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.145 -9.901 10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.634 -9.901 11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.594 -9.055 9.542 1.00 0.00 H new ATOM 1592 N THR A 90 3.790 -11.209 7.866 1.00 0.00 N ATOM 1593 CA THR A 90 3.070 -11.271 6.610 1.00 0.00 C ATOM 1594 C THR A 90 2.371 -9.939 6.347 1.00 0.00 C ATOM 1595 O THR A 90 2.212 -9.101 7.243 1.00 0.00 O ATOM 1596 CB THR A 90 2.049 -12.422 6.660 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.143 -12.175 7.717 1.00 0.00 O ATOM 1598 CG2 THR A 90 2.704 -13.794 6.851 1.00 0.00 C ATOM 0 H THR A 90 3.180 -11.074 8.672 1.00 0.00 H new ATOM 0 HA THR A 90 3.769 -11.459 5.795 1.00 0.00 H new ATOM 0 HB THR A 90 1.534 -12.453 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.485 -12.900 7.760 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.933 -14.564 6.878 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.385 -13.991 6.023 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.261 -13.804 7.788 1.00 0.00 H new ATOM 1606 N MET A 91 1.916 -9.752 5.110 1.00 0.00 N ATOM 1607 CA MET A 91 1.186 -8.566 4.697 1.00 0.00 C ATOM 1608 C MET A 91 -0.091 -8.453 5.534 1.00 0.00 C ATOM 1609 O MET A 91 -0.488 -7.354 5.898 1.00 0.00 O ATOM 1610 CB MET A 91 0.819 -8.672 3.209 1.00 0.00 C ATOM 1611 CG MET A 91 2.026 -8.482 2.280 1.00 0.00 C ATOM 1612 SD MET A 91 3.036 -6.983 2.512 1.00 0.00 S ATOM 1613 CE MET A 91 1.789 -5.665 2.670 1.00 0.00 C ATOM 0 H MET A 91 2.048 -10.431 4.360 1.00 0.00 H new ATOM 0 HA MET A 91 1.807 -7.683 4.847 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.371 -9.647 3.019 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.063 -7.923 2.972 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.678 -9.348 2.394 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.664 -8.488 1.252 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.199 -4.729 2.291 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.903 -5.932 2.095 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.518 -5.544 3.719 1.00 0.00 H new ATOM 1623 N GLY A 92 -0.728 -9.589 5.835 1.00 0.00 N ATOM 1624 CA GLY A 92 -1.941 -9.684 6.618 1.00 0.00 C ATOM 1625 C GLY A 92 -1.714 -9.387 8.096 1.00 0.00 C ATOM 1626 O GLY A 92 -2.638 -8.902 8.740 1.00 0.00 O ATOM 0 H GLY A 92 -0.390 -10.499 5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.680 -8.988 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.358 -10.685 6.513 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.525 -9.660 8.648 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.230 -9.411 10.056 1.00 0.00 C ATOM 1632 C GLN A 93 -0.196 -7.905 10.296 1.00 0.00 C ATOM 1633 O GLN A 93 -0.927 -7.386 11.141 1.00 0.00 O ATOM 1634 CB GLN A 93 1.136 -10.053 10.364 1.00 0.00 C ATOM 1635 CG GLN A 93 1.691 -9.830 11.778 1.00 0.00 C ATOM 1636 CD GLN A 93 0.865 -10.505 12.862 1.00 0.00 C ATOM 1637 OE1 GLN A 93 0.416 -9.868 13.809 1.00 0.00 O ATOM 1638 NE2 GLN A 93 0.696 -11.812 12.807 1.00 0.00 N ATOM 0 H GLN A 93 0.256 -10.059 8.128 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.990 -9.841 10.709 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.055 -11.127 10.194 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.863 -9.671 9.647 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.713 -10.206 11.823 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.736 -8.760 11.979 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.069 -12.342 12.019 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.192 -12.293 13.552 1.00 0.00 H new ATOM 1647 N LEU A 94 0.600 -7.187 9.498 1.00 0.00 N ATOM 1648 CA LEU A 94 0.693 -5.743 9.637 1.00 0.00 C ATOM 1649 C LEU A 94 -0.631 -5.124 9.198 1.00 0.00 C ATOM 1650 O LEU A 94 -1.075 -4.182 9.824 1.00 0.00 O ATOM 1651 CB LEU A 94 1.959 -5.182 8.978 1.00 0.00 C ATOM 1652 CG LEU A 94 2.030 -5.332 7.449 1.00 0.00 C ATOM 1653 CD1 LEU A 94 1.499 -4.088 6.742 1.00 0.00 C ATOM 1654 CD2 LEU A 94 3.472 -5.566 7.005 1.00 0.00 C ATOM 0 H LEU A 94 1.181 -7.583 8.759 1.00 0.00 H new ATOM 0 HA LEU A 94 0.829 -5.458 10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.039 -4.124 9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.826 -5.678 9.415 1.00 0.00 H new ATOM 0 HG LEU A 94 1.410 -6.187 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.564 -4.227 5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.459 -3.924 7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.095 -3.222 7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.506 -5.670 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.088 -4.719 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.853 -6.476 7.469 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.309 -5.677 8.174 1.00 0.00 N ATOM 1667 CA TYR A 95 -2.596 -5.137 7.750 1.00 0.00 C ATOM 1668 C TYR A 95 -3.564 -5.205 8.931 1.00 0.00 C ATOM 1669 O TYR A 95 -4.329 -4.267 9.122 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.172 -5.918 6.561 1.00 0.00 C ATOM 1671 CG TYR A 95 -4.652 -5.684 6.296 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.098 -4.445 5.803 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.591 -6.696 6.582 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -6.466 -4.212 5.586 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -6.962 -6.479 6.353 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.403 -5.232 5.855 1.00 0.00 C ATOM 1677 OH TYR A 95 -8.721 -5.006 5.604 1.00 0.00 O ATOM 0 H TYR A 95 -0.986 -6.483 7.639 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.455 -4.105 7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.611 -5.652 5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.013 -6.982 6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.382 -3.665 5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.256 -7.643 6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.800 -3.255 5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.676 -7.263 6.557 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.240 -5.803 5.840 1.00 0.00 H new ATOM 1687 N GLU A 96 -3.561 -6.310 9.679 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.413 -6.517 10.836 1.00 0.00 C ATOM 1689 C GLU A 96 -4.025 -5.638 12.023 1.00 0.00 C ATOM 1690 O GLU A 96 -4.899 -5.301 12.817 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.479 -8.011 11.173 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.598 -8.312 12.184 1.00 0.00 C ATOM 1693 CD GLU A 96 -6.294 -9.662 11.986 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -5.830 -10.492 11.163 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -7.374 -9.848 12.587 1.00 0.00 O ATOM 0 H GLU A 96 -2.948 -7.102 9.486 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.422 -6.193 10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.648 -8.584 10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.522 -8.336 11.581 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.179 -8.279 13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.346 -7.521 12.124 1.00 0.00 H new ATOM 1702 N ASP A 97 -2.751 -5.262 12.185 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.330 -4.397 13.299 1.00 0.00 C ATOM 1704 C ASP A 97 -2.482 -2.901 12.977 1.00 0.00 C ATOM 1705 O ASP A 97 -2.697 -2.071 13.859 1.00 0.00 O ATOM 1706 CB ASP A 97 -0.884 -4.692 13.691 1.00 0.00 C ATOM 1707 CG ASP A 97 -0.575 -4.069 15.054 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.298 -4.394 16.024 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.429 -3.319 15.141 1.00 0.00 O ATOM 0 H ASP A 97 -1.993 -5.541 11.562 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.992 -4.623 14.135 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.721 -5.769 13.729 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.205 -4.293 12.937 1.00 0.00 H new ATOM 1714 N ASN A 98 -2.441 -2.567 11.689 1.00 0.00 N ATOM 1715 CA ASN A 98 -2.563 -1.238 11.089 1.00 0.00 C ATOM 1716 C ASN A 98 -3.958 -1.023 10.497 1.00 0.00 C ATOM 1717 O ASN A 98 -4.157 -0.053 9.772 1.00 0.00 O ATOM 1718 CB ASN A 98 -1.446 -1.002 10.053 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.071 -1.002 10.707 1.00 0.00 C ATOM 1720 OD1 ASN A 98 0.760 -1.870 10.457 1.00 0.00 O ATOM 1721 ND2 ASN A 98 0.208 -0.019 11.545 1.00 0.00 N ATOM 0 H ASN A 98 -2.310 -3.283 10.974 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.438 -0.493 11.875 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.487 -1.778 9.289 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.611 -0.050 9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.123 0.025 11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.492 0.696 11.744 1.00 0.00 H new ATOM 1728 N HIS A 99 -4.869 -1.987 10.643 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.238 -2.008 10.139 1.00 0.00 C ATOM 1730 C HIS A 99 -7.010 -0.686 10.310 1.00 0.00 C ATOM 1731 O HIS A 99 -7.605 -0.419 11.356 1.00 0.00 O ATOM 1732 CB HIS A 99 -6.995 -3.222 10.723 1.00 0.00 C ATOM 1733 CG HIS A 99 -7.365 -3.120 12.185 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -8.648 -3.105 12.688 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -6.510 -2.874 13.227 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -8.558 -2.833 14.000 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -7.279 -2.717 14.380 1.00 0.00 N ATOM 0 H HIS A 99 -4.648 -2.839 11.158 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.170 -2.121 9.057 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.907 -3.371 10.145 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.381 -4.112 10.583 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.433 -2.813 13.166 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.405 -2.722 14.661 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.935 -2.547 15.325 1.00 0.00 H new ATOM 1745 N GLU A 100 -7.035 0.152 9.272 1.00 0.00 N ATOM 1746 CA GLU A 100 -7.772 1.408 9.345 1.00 0.00 C ATOM 1747 C GLU A 100 -9.274 1.068 9.305 1.00 0.00 C ATOM 1748 O GLU A 100 -9.671 0.020 8.772 1.00 0.00 O ATOM 1749 CB GLU A 100 -7.384 2.349 8.185 1.00 0.00 C ATOM 1750 CG GLU A 100 -7.067 3.769 8.678 1.00 0.00 C ATOM 1751 CD GLU A 100 -5.636 3.887 9.219 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -5.408 3.442 10.367 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -4.750 4.417 8.508 1.00 0.00 O ATOM 0 H GLU A 100 -6.560 -0.015 8.385 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.529 1.935 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.516 1.944 7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.199 2.389 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.204 4.475 7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.774 4.047 9.460 1.00 0.00 H new ATOM 1760 N GLU A 101 -10.142 1.996 9.717 1.00 0.00 N ATOM 1761 CA GLU A 101 -11.581 1.728 9.713 1.00 0.00 C ATOM 1762 C GLU A 101 -12.131 1.758 8.277 1.00 0.00 C ATOM 1763 O GLU A 101 -13.163 1.144 7.986 1.00 0.00 O ATOM 1764 CB GLU A 101 -12.353 2.833 10.444 1.00 0.00 C ATOM 1765 CG GLU A 101 -12.085 3.124 11.924 1.00 0.00 C ATOM 1766 CD GLU A 101 -13.052 4.201 12.422 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -13.499 5.055 11.611 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -13.420 4.212 13.617 1.00 0.00 O ATOM 0 H GLU A 101 -9.879 2.923 10.052 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.709 0.757 10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.180 3.760 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.414 2.600 10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.206 2.214 12.511 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.055 3.456 12.059 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.429 2.460 7.383 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.759 2.652 5.971 1.00 0.00 C ATOM 1777 C ASP A 102 -11.236 1.509 5.093 1.00 0.00 C ATOM 1778 O ASP A 102 -11.251 1.605 3.864 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.231 4.009 5.485 1.00 0.00 C ATOM 1780 CG ASP A 102 -11.866 5.214 6.176 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -13.051 5.097 6.560 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -11.151 6.224 6.359 1.00 0.00 O ATOM 0 H ASP A 102 -10.565 2.937 7.642 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.845 2.643 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.153 4.043 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.402 4.089 4.411 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.764 0.423 5.717 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.254 -0.781 5.074 1.00 0.00 C ATOM 1789 C TYR A 103 -9.082 -0.569 4.094 1.00 0.00 C ATOM 1790 O TYR A 103 -9.071 -1.183 3.025 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.444 -1.531 4.434 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.388 -2.206 5.406 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -11.969 -3.391 6.032 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.686 -1.707 5.641 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -12.843 -4.100 6.864 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.570 -2.411 6.483 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.145 -3.617 7.090 1.00 0.00 C ATOM 1798 OH TYR A 103 -14.990 -4.380 7.830 1.00 0.00 O ATOM 0 H TYR A 103 -10.728 0.363 6.735 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.794 -1.392 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.015 -0.824 3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.051 -2.286 3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.966 -3.758 5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.003 -0.785 5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.518 -5.017 7.332 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.565 -2.033 6.664 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.856 -3.927 7.909 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.086 0.262 4.418 1.00 0.00 N ATOM 1809 CA PHE A 104 -6.923 0.501 3.556 1.00 0.00 C ATOM 1810 C PHE A 104 -5.631 0.358 4.358 1.00 0.00 C ATOM 1811 O PHE A 104 -5.644 0.567 5.569 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.010 1.859 2.842 1.00 0.00 C ATOM 1813 CG PHE A 104 -6.787 3.073 3.726 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -5.483 3.432 4.127 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -7.885 3.829 4.172 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -5.288 4.494 5.025 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -7.688 4.907 5.054 1.00 0.00 C ATOM 1818 CZ PHE A 104 -6.391 5.225 5.491 1.00 0.00 C ATOM 0 H PHE A 104 -8.064 0.791 5.290 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.919 -0.257 2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.274 1.876 2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.992 1.944 2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.632 2.889 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -8.882 3.582 3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.292 4.747 5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.532 5.489 5.394 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.243 6.036 6.189 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.527 0.017 3.684 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.204 -0.151 4.282 1.00 0.00 C ATOM 1830 C LEU A 105 -2.265 0.897 3.660 1.00 0.00 C ATOM 1831 O LEU A 105 -2.322 1.123 2.447 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.712 -1.578 3.967 1.00 0.00 C ATOM 1833 CG LEU A 105 -1.817 -2.270 5.004 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.143 -3.482 4.339 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -0.777 -1.361 5.659 1.00 0.00 C ATOM 0 H LEU A 105 -4.533 -0.154 2.678 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.230 -0.014 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.588 -2.207 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.167 -1.544 3.023 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.463 -2.581 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.503 -3.985 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.907 -4.175 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.541 -3.146 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.192 -1.936 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.116 -0.955 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.281 -0.543 6.174 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.411 1.557 4.442 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.459 2.565 3.967 1.00 0.00 C ATOM 1849 C TYR A 106 0.959 1.996 3.978 1.00 0.00 C ATOM 1850 O TYR A 106 1.367 1.401 4.976 1.00 0.00 O ATOM 1851 CB TYR A 106 -0.542 3.793 4.876 1.00 0.00 C ATOM 1852 CG TYR A 106 0.497 4.868 4.601 1.00 0.00 C ATOM 1853 CD1 TYR A 106 1.736 4.838 5.271 1.00 0.00 C ATOM 1854 CD2 TYR A 106 0.212 5.923 3.717 1.00 0.00 C ATOM 1855 CE1 TYR A 106 2.670 5.872 5.094 1.00 0.00 C ATOM 1856 CE2 TYR A 106 1.127 6.976 3.551 1.00 0.00 C ATOM 1857 CZ TYR A 106 2.358 6.958 4.245 1.00 0.00 C ATOM 1858 OH TYR A 106 3.231 7.993 4.093 1.00 0.00 O ATOM 0 H TYR A 106 -1.360 1.403 5.449 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.707 2.850 2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.534 4.234 4.776 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.441 3.467 5.911 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.970 4.012 5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.715 5.924 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.621 5.837 5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.890 7.799 2.893 1.00 0.00 H new ATOM 0 HH TYR A 106 2.854 8.651 3.472 1.00 0.00 H new ATOM 1868 N VAL A 107 1.720 2.151 2.893 1.00 0.00 N ATOM 1869 CA VAL A 107 3.096 1.675 2.799 1.00 0.00 C ATOM 1870 C VAL A 107 3.936 2.764 2.144 1.00 0.00 C ATOM 1871 O VAL A 107 3.612 3.246 1.053 1.00 0.00 O ATOM 1872 CB VAL A 107 3.158 0.323 2.058 1.00 0.00 C ATOM 1873 CG1 VAL A 107 4.546 -0.026 1.499 1.00 0.00 C ATOM 1874 CG2 VAL A 107 2.734 -0.814 3.001 1.00 0.00 C ATOM 0 H VAL A 107 1.392 2.616 2.047 1.00 0.00 H new ATOM 0 HA VAL A 107 3.508 1.482 3.790 1.00 0.00 H new ATOM 0 HB VAL A 107 2.478 0.428 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.503 -0.991 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.856 0.741 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.265 -0.077 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.781 -1.764 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.406 -0.845 3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.714 -0.640 3.345 1.00 0.00 H new ATOM 1884 N ALA A 108 5.040 3.134 2.785 1.00 0.00 N ATOM 1885 CA ALA A 108 5.961 4.141 2.287 1.00 0.00 C ATOM 1886 C ALA A 108 7.329 3.483 2.077 1.00 0.00 C ATOM 1887 O ALA A 108 7.676 2.550 2.809 1.00 0.00 O ATOM 1888 CB ALA A 108 5.986 5.329 3.248 1.00 0.00 C ATOM 0 H ALA A 108 5.322 2.734 3.680 1.00 0.00 H new ATOM 0 HA ALA A 108 5.643 4.540 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.677 6.085 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.986 5.757 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.312 4.994 4.232 1.00 0.00 H new ATOM 1894 N TYR A 109 8.089 3.944 1.076 1.00 0.00 N ATOM 1895 CA TYR A 109 9.420 3.413 0.744 1.00 0.00 C ATOM 1896 C TYR A 109 10.485 4.515 0.780 1.00 0.00 C ATOM 1897 O TYR A 109 10.196 5.657 0.405 1.00 0.00 O ATOM 1898 CB TYR A 109 9.387 2.671 -0.614 1.00 0.00 C ATOM 1899 CG TYR A 109 8.833 3.394 -1.839 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.446 3.528 -2.032 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.704 3.878 -2.834 1.00 0.00 C ATOM 1902 CE1 TYR A 109 6.939 4.213 -3.151 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.207 4.558 -3.962 1.00 0.00 C ATOM 1904 CZ TYR A 109 7.817 4.763 -4.109 1.00 0.00 C ATOM 1905 OH TYR A 109 7.327 5.482 -5.160 1.00 0.00 O ATOM 0 H TYR A 109 7.795 4.706 0.465 1.00 0.00 H new ATOM 0 HA TYR A 109 9.701 2.685 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.407 2.364 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.804 1.761 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.763 3.100 -1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.768 3.725 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.872 4.319 -3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.889 4.923 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 109 6.495 5.926 -4.893 1.00 0.00 H new ATOM 1915 N SER A 110 11.696 4.170 1.249 1.00 0.00 N ATOM 1916 CA SER A 110 12.846 5.061 1.357 1.00 0.00 C ATOM 1917 C SER A 110 14.163 4.274 1.409 1.00 0.00 C ATOM 1918 O SER A 110 14.185 3.073 1.685 1.00 0.00 O ATOM 1919 CB SER A 110 12.746 5.913 2.628 1.00 0.00 C ATOM 1920 OG SER A 110 13.622 7.019 2.539 1.00 0.00 O ATOM 0 H SER A 110 11.901 3.225 1.574 1.00 0.00 H new ATOM 0 HA SER A 110 12.841 5.698 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.722 6.260 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.996 5.310 3.501 1.00 0.00 H new ATOM 0 HG SER A 110 14.202 7.041 3.329 1.00 0.00 H new ATOM 1926 N ASP A 111 15.260 4.973 1.124 1.00 0.00 N ATOM 1927 CA ASP A 111 16.648 4.506 1.117 1.00 0.00 C ATOM 1928 C ASP A 111 17.187 4.421 2.549 1.00 0.00 C ATOM 1929 O ASP A 111 17.979 3.536 2.868 1.00 0.00 O ATOM 1930 CB ASP A 111 17.455 5.540 0.309 1.00 0.00 C ATOM 1931 CG ASP A 111 18.977 5.412 0.412 1.00 0.00 C ATOM 1932 OD1 ASP A 111 19.585 4.759 -0.470 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.590 6.155 1.216 1.00 0.00 O ATOM 0 H ASP A 111 15.198 5.959 0.872 1.00 0.00 H new ATOM 0 HA ASP A 111 16.725 3.512 0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 111 17.171 5.458 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 111 17.168 6.538 0.640 1.00 0.00 H new ATOM 1938 N GLU A 112 16.702 5.292 3.440 1.00 0.00 N ATOM 1939 CA GLU A 112 17.097 5.382 4.838 1.00 0.00 C ATOM 1940 C GLU A 112 15.899 5.649 5.746 1.00 0.00 C ATOM 1941 O GLU A 112 14.828 6.044 5.277 1.00 0.00 O ATOM 1942 CB GLU A 112 18.185 6.459 4.971 1.00 0.00 C ATOM 1943 CG GLU A 112 18.883 6.492 6.330 1.00 0.00 C ATOM 1944 CD GLU A 112 20.108 7.388 6.268 1.00 0.00 C ATOM 1945 OE1 GLU A 112 21.184 6.920 5.829 1.00 0.00 O ATOM 1946 OE2 GLU A 112 20.011 8.573 6.665 1.00 0.00 O ATOM 0 H GLU A 112 15.993 5.981 3.189 1.00 0.00 H new ATOM 0 HA GLU A 112 17.506 4.426 5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.934 6.298 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 112 17.737 7.435 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.194 6.857 7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.175 5.483 6.622 1.00 0.00 H new ATOM 1953 N SER A 113 16.035 5.341 7.041 1.00 0.00 N ATOM 1954 CA SER A 113 14.998 5.562 8.039 1.00 0.00 C ATOM 1955 C SER A 113 14.849 7.090 8.126 1.00 0.00 C ATOM 1956 O SER A 113 15.797 7.797 8.467 1.00 0.00 O ATOM 1957 CB SER A 113 15.426 4.912 9.365 1.00 0.00 C ATOM 1958 OG SER A 113 14.391 5.013 10.319 1.00 0.00 O ATOM 0 H SER A 113 16.884 4.925 7.424 1.00 0.00 H new ATOM 0 HA SER A 113 14.038 5.112 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.676 3.864 9.200 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.326 5.398 9.742 1.00 0.00 H new ATOM 0 HG SER A 113 14.677 4.594 11.157 1.00 0.00 H new ATOM 2086 N GLU B 730 -13.467 -0.834 -6.582 1.00 0.00 N ATOM 2087 CA GLU B 730 -12.533 0.186 -7.036 1.00 0.00 C ATOM 2088 C GLU B 730 -11.436 -0.373 -7.956 1.00 0.00 C ATOM 2089 O GLU B 730 -11.128 -1.568 -7.952 1.00 0.00 O ATOM 2090 CB GLU B 730 -11.957 0.931 -5.821 1.00 0.00 C ATOM 2091 CG GLU B 730 -11.282 2.242 -6.265 1.00 0.00 C ATOM 2092 CD GLU B 730 -11.313 3.347 -5.212 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -10.773 3.182 -4.100 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -11.751 4.470 -5.559 1.00 0.00 O ATOM 0 HA GLU B 730 -13.081 0.897 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -12.753 1.148 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -11.233 0.298 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -10.245 2.033 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -11.773 2.603 -7.169 1.00 0.00 H new ATOM 2101 N ASP B 731 -10.883 0.509 -8.790 1.00 0.00 N ATOM 2102 CA ASP B 731 -9.811 0.246 -9.738 1.00 0.00 C ATOM 2103 C ASP B 731 -8.550 0.161 -8.888 1.00 0.00 C ATOM 2104 O ASP B 731 -8.016 1.179 -8.444 1.00 0.00 O ATOM 2105 CB ASP B 731 -9.797 1.398 -10.749 1.00 0.00 C ATOM 2106 CG ASP B 731 -8.484 1.568 -11.499 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -7.746 0.592 -11.727 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -8.211 2.714 -11.928 1.00 0.00 O ATOM 0 H ASP B 731 -11.193 1.480 -8.820 1.00 0.00 H new ATOM 0 HA ASP B 731 -9.916 -0.673 -10.315 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.596 1.238 -11.473 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -10.024 2.326 -10.225 1.00 0.00 H new ATOM 2113 N TYR B 732 -8.053 -1.058 -8.706 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.903 -1.395 -7.882 1.00 0.00 C ATOM 2115 C TYR B 732 -6.048 -2.439 -8.616 1.00 0.00 C ATOM 2116 O TYR B 732 -6.599 -3.428 -9.116 1.00 0.00 O ATOM 2117 CB TYR B 732 -7.524 -1.898 -6.555 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.328 -1.009 -5.343 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -8.208 0.064 -5.115 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -6.310 -1.281 -4.413 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.092 0.848 -3.954 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -6.171 -0.490 -3.260 1.00 0.00 C ATOM 2123 CZ TYR B 732 -7.072 0.569 -3.016 1.00 0.00 C ATOM 2124 OH TYR B 732 -6.925 1.325 -1.897 1.00 0.00 O ATOM 0 H TYR B 732 -8.464 -1.878 -9.153 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.223 -0.567 -7.681 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -8.594 -2.036 -6.709 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -7.105 -2.879 -6.331 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -8.979 0.287 -5.838 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -5.631 -2.103 -4.586 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -8.781 1.662 -3.779 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -5.374 -0.692 -2.560 1.00 0.00 H new ATOM 0 HH TYR B 732 -6.173 0.985 -1.369 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.720 -2.295 -8.648 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.812 -3.219 -9.347 1.00 0.00 C ATOM 2136 C ILE B 733 -3.475 -4.425 -8.464 1.00 0.00 C ATOM 2137 O ILE B 733 -2.750 -4.303 -7.464 1.00 0.00 O ATOM 2138 CB ILE B 733 -2.529 -2.493 -9.820 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.826 -1.343 -10.806 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -1.568 -3.475 -10.528 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -3.131 -0.009 -10.124 1.00 0.00 C ATOM 0 H ILE B 733 -4.236 -1.526 -8.185 1.00 0.00 H new ATOM 0 HA ILE B 733 -4.326 -3.588 -10.235 1.00 0.00 H new ATOM 0 HB ILE B 733 -2.074 -2.084 -8.918 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -1.970 -1.214 -11.468 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -3.674 -1.623 -11.431 1.00 0.00 H new ATOM 0 HG21 ILE B 733 -0.674 -2.941 -10.851 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -1.286 -4.270 -9.837 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -2.065 -3.908 -11.396 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -3.329 0.750 -10.881 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -4.006 -0.120 -9.483 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -2.276 0.295 -9.521 1.00 0.00 H new ATOM 2153 N ILE B 734 -4.044 -5.589 -8.742 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.760 -6.798 -7.963 1.00 0.00 C ATOM 2155 C ILE B 734 -2.375 -7.251 -8.424 1.00 0.00 C ATOM 2156 O ILE B 734 -2.109 -7.211 -9.635 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.846 -7.879 -8.183 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -6.256 -7.360 -7.805 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.521 -9.136 -7.351 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -7.405 -8.251 -8.294 1.00 0.00 C ATOM 0 H ILE B 734 -4.709 -5.728 -9.503 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.772 -6.611 -6.889 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.849 -8.129 -9.244 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -6.319 -7.268 -6.721 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -6.386 -6.360 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -5.292 -9.889 -7.514 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.554 -9.535 -7.657 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.488 -8.874 -6.294 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -8.357 -7.817 -7.988 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -7.372 -8.324 -9.381 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -7.304 -9.246 -7.861 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.495 -7.640 -7.507 1.00 0.00 N ATOM 2173 CA ILE B 735 -0.148 -8.089 -7.827 1.00 0.00 C ATOM 2174 C ILE B 735 0.250 -9.259 -6.925 1.00 0.00 C ATOM 2175 O ILE B 735 0.478 -9.101 -5.727 1.00 0.00 O ATOM 2176 CB ILE B 735 0.831 -6.890 -7.834 1.00 0.00 C ATOM 2177 CG1 ILE B 735 2.237 -7.360 -8.265 1.00 0.00 C ATOM 2178 CG2 ILE B 735 0.881 -6.085 -6.520 1.00 0.00 C ATOM 2179 CD1 ILE B 735 3.039 -6.243 -8.938 1.00 0.00 C ATOM 0 H ILE B 735 -1.702 -7.652 -6.508 1.00 0.00 H new ATOM 0 HA ILE B 735 -0.107 -8.490 -8.840 1.00 0.00 H new ATOM 0 HB ILE B 735 0.437 -6.184 -8.566 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.781 -7.720 -7.392 1.00 0.00 H new ATOM 0 HG13 ILE B 735 2.142 -8.201 -8.951 1.00 0.00 H new ATOM 0 HG21 ILE B 735 1.594 -5.267 -6.622 1.00 0.00 H new ATOM 0 HG22 ILE B 735 -0.108 -5.680 -6.303 1.00 0.00 H new ATOM 0 HG23 ILE B 735 1.192 -6.738 -5.705 1.00 0.00 H new ATOM 0 HD11 ILE B 735 4.021 -6.621 -9.223 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.510 -5.900 -9.827 1.00 0.00 H new ATOM 0 HD13 ILE B 735 3.158 -5.412 -8.243 1.00 0.00 H new