USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=25 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 Set 1.1: A 82 ASN : amide:sc= 0.82 K(o=1.8,f=-0.88) USER MOD Set 1.2: A 106 TYR OH : rot 178:sc= 0.953 USER MOD Single : A 9 HIS : no HD1:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 134:sc= 0.932 (180deg=-2.31!) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc=-0.00207 (180deg=-0.0568) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0.442 (180deg=0.308) USER MOD Single : A 24 LYS NZ :NH3+ -118:sc= -0.533 (180deg=-2.07) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 139:sc= 0.44 (180deg=-0.146!) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00861) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.133) USER MOD Single : A 49 TYR OH : rot -30:sc= 0.966 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 56 THR OG1 : rot 72:sc= 0.25 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.182 X(o=-0.18,f=-0.098) USER MOD Single : A 81 ASN : amide:sc= -0.0939 K(o=-0.094,f=0.6) USER MOD Single : A 83 THR OG1 : rot 66:sc= 1.01 USER MOD Single : A 87 THR OG1 : rot -27:sc= 0.356 USER MOD Single : A 88 SER OG : rot -32:sc= 0.0628 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.075 USER MOD Single : A 91 MET CE :methyl -158:sc= -0.501 (180deg=-0.821) USER MOD Single : A 93 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.15) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.392 K(o=0.39,f=-0.17) USER MOD Single : A 99 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.28) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 123:sc= 0.758 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 42:sc= 0.00758 USER MOD Single : B 732 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N HIS A 9 -9.665 11.752 2.792 1.00 0.00 N ATOM 198 CA HIS A 9 -10.644 12.838 2.886 1.00 0.00 C ATOM 199 C HIS A 9 -12.047 12.338 2.518 1.00 0.00 C ATOM 200 O HIS A 9 -12.949 12.528 3.338 1.00 0.00 O ATOM 201 CB HIS A 9 -10.235 14.055 2.037 1.00 0.00 C ATOM 202 CG HIS A 9 -10.374 15.369 2.754 1.00 0.00 C ATOM 203 ND1 HIS A 9 -11.027 16.486 2.289 1.00 0.00 N ATOM 204 CD2 HIS A 9 -9.747 15.711 3.919 1.00 0.00 C ATOM 205 CE1 HIS A 9 -10.774 17.490 3.139 1.00 0.00 C ATOM 206 NE2 HIS A 9 -10.020 17.059 4.166 1.00 0.00 N ATOM 0 HA HIS A 9 -10.668 13.173 3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.200 13.933 1.719 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -10.845 14.078 1.134 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.149 15.058 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.126 18.504 3.017 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.709 17.608 4.967 1.00 0.00 H new ATOM 214 N PRO A 10 -12.288 11.704 1.349 1.00 0.00 N ATOM 215 CA PRO A 10 -13.599 11.171 0.994 1.00 0.00 C ATOM 216 C PRO A 10 -13.766 9.830 1.741 1.00 0.00 C ATOM 217 O PRO A 10 -14.036 8.799 1.121 1.00 0.00 O ATOM 218 CB PRO A 10 -13.547 11.011 -0.530 1.00 0.00 C ATOM 219 CG PRO A 10 -12.094 10.612 -0.778 1.00 0.00 C ATOM 220 CD PRO A 10 -11.343 11.425 0.272 1.00 0.00 C ATOM 0 HA PRO A 10 -14.448 11.797 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.242 10.248 -0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.806 11.937 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.940 9.541 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.772 10.860 -1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.483 10.870 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.962 12.352 -0.157 1.00 0.00 H new ATOM 228 N PHE A 11 -13.683 9.863 3.074 1.00 0.00 N ATOM 229 CA PHE A 11 -13.771 8.724 3.973 1.00 0.00 C ATOM 230 C PHE A 11 -14.989 7.866 3.682 1.00 0.00 C ATOM 231 O PHE A 11 -14.868 6.649 3.678 1.00 0.00 O ATOM 232 CB PHE A 11 -13.786 9.209 5.428 1.00 0.00 C ATOM 233 CG PHE A 11 -13.792 8.077 6.437 1.00 0.00 C ATOM 234 CD1 PHE A 11 -12.610 7.364 6.710 1.00 0.00 C ATOM 235 CD2 PHE A 11 -14.991 7.710 7.075 1.00 0.00 C ATOM 236 CE1 PHE A 11 -12.629 6.295 7.624 1.00 0.00 C ATOM 237 CE2 PHE A 11 -15.011 6.640 7.986 1.00 0.00 C ATOM 238 CZ PHE A 11 -13.828 5.937 8.265 1.00 0.00 C ATOM 0 H PHE A 11 -13.545 10.739 3.577 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.893 8.099 3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.913 9.838 5.603 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.666 9.833 5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.688 7.637 6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.900 8.253 6.864 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.721 5.749 7.834 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.934 6.359 8.470 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.839 5.121 8.972 1.00 0.00 H new ATOM 248 N GLU A 12 -16.142 8.470 3.375 1.00 0.00 N ATOM 249 CA GLU A 12 -17.348 7.708 3.076 1.00 0.00 C ATOM 250 C GLU A 12 -17.101 6.707 1.935 1.00 0.00 C ATOM 251 O GLU A 12 -17.587 5.580 1.999 1.00 0.00 O ATOM 252 CB GLU A 12 -18.536 8.644 2.778 1.00 0.00 C ATOM 253 CG GLU A 12 -18.377 9.528 1.529 1.00 0.00 C ATOM 254 CD GLU A 12 -19.598 10.417 1.270 1.00 0.00 C ATOM 255 OE1 GLU A 12 -20.533 9.977 0.552 1.00 0.00 O ATOM 256 OE2 GLU A 12 -19.574 11.590 1.709 1.00 0.00 O ATOM 0 H GLU A 12 -16.260 9.482 3.328 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.611 7.128 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.435 8.038 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.695 9.289 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.494 10.156 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.205 8.893 0.660 1.00 0.00 H new ATOM 263 N TYR A 13 -16.355 7.118 0.904 1.00 0.00 N ATOM 264 CA TYR A 13 -16.022 6.312 -0.262 1.00 0.00 C ATOM 265 C TYR A 13 -15.019 5.234 0.140 1.00 0.00 C ATOM 266 O TYR A 13 -15.207 4.066 -0.196 1.00 0.00 O ATOM 267 CB TYR A 13 -15.459 7.213 -1.381 1.00 0.00 C ATOM 268 CG TYR A 13 -15.722 6.715 -2.794 1.00 0.00 C ATOM 269 CD1 TYR A 13 -15.170 5.501 -3.250 1.00 0.00 C ATOM 270 CD2 TYR A 13 -16.547 7.464 -3.655 1.00 0.00 C ATOM 271 CE1 TYR A 13 -15.486 5.014 -4.531 1.00 0.00 C ATOM 272 CE2 TYR A 13 -16.854 6.992 -4.943 1.00 0.00 C ATOM 273 CZ TYR A 13 -16.360 5.741 -5.368 1.00 0.00 C ATOM 274 OH TYR A 13 -16.672 5.274 -6.605 1.00 0.00 O ATOM 0 H TYR A 13 -15.955 8.055 0.863 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.919 5.825 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.888 8.209 -1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.383 7.313 -1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.501 4.942 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.948 8.410 -3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.060 4.083 -4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -17.467 7.586 -5.605 1.00 0.00 H new ATOM 0 HH TYR A 13 -17.286 5.898 -7.045 1.00 0.00 H new ATOM 284 N ARG A 14 -13.950 5.612 0.858 1.00 0.00 N ATOM 285 CA ARG A 14 -12.929 4.655 1.288 1.00 0.00 C ATOM 286 C ARG A 14 -13.567 3.570 2.150 1.00 0.00 C ATOM 287 O ARG A 14 -13.352 2.388 1.913 1.00 0.00 O ATOM 288 CB ARG A 14 -11.845 5.399 2.095 1.00 0.00 C ATOM 289 CG ARG A 14 -10.563 4.579 2.338 1.00 0.00 C ATOM 290 CD ARG A 14 -9.447 4.808 1.315 1.00 0.00 C ATOM 291 NE ARG A 14 -9.760 4.247 -0.010 1.00 0.00 N ATOM 292 CZ ARG A 14 -10.278 4.914 -1.048 1.00 0.00 C ATOM 293 NH1 ARG A 14 -10.655 6.183 -0.936 1.00 0.00 N ATOM 294 NH2 ARG A 14 -10.427 4.290 -2.214 1.00 0.00 N ATOM 0 H ARG A 14 -13.774 6.573 1.151 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.475 4.188 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.582 6.316 1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.263 5.693 3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.180 4.816 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.822 3.520 2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.265 5.878 1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.525 4.360 1.685 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.563 3.256 -0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.552 6.669 -0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.047 6.671 -1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.148 3.314 -2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.821 4.788 -3.012 1.00 0.00 H new ATOM 308 N LYS A 15 -14.464 3.964 3.050 1.00 0.00 N ATOM 309 CA LYS A 15 -15.169 3.090 3.966 1.00 0.00 C ATOM 310 C LYS A 15 -16.056 2.093 3.237 1.00 0.00 C ATOM 311 O LYS A 15 -16.000 0.885 3.493 1.00 0.00 O ATOM 312 CB LYS A 15 -15.947 4.000 4.945 1.00 0.00 C ATOM 313 CG LYS A 15 -16.910 3.308 5.914 1.00 0.00 C ATOM 314 CD LYS A 15 -16.208 2.199 6.694 1.00 0.00 C ATOM 315 CE LYS A 15 -17.187 1.475 7.621 1.00 0.00 C ATOM 316 NZ LYS A 15 -16.600 0.251 8.203 1.00 0.00 N ATOM 0 H LYS A 15 -14.726 4.944 3.161 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.470 2.466 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.223 4.565 5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.516 4.722 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.320 4.041 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.750 2.890 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.765 1.486 5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.392 2.622 7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.491 2.148 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.088 1.215 7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.802 0.220 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.013 -0.585 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.571 0.255 8.054 1.00 0.00 H new ATOM 330 N LYS A 16 -16.896 2.594 2.340 1.00 0.00 N ATOM 331 CA LYS A 16 -17.829 1.769 1.584 1.00 0.00 C ATOM 332 C LYS A 16 -17.137 0.841 0.601 1.00 0.00 C ATOM 333 O LYS A 16 -17.338 -0.372 0.670 1.00 0.00 O ATOM 334 CB LYS A 16 -18.784 2.684 0.803 1.00 0.00 C ATOM 335 CG LYS A 16 -19.781 3.403 1.718 1.00 0.00 C ATOM 336 CD LYS A 16 -20.478 4.565 0.992 1.00 0.00 C ATOM 337 CE LYS A 16 -21.280 4.130 -0.238 1.00 0.00 C ATOM 338 NZ LYS A 16 -22.328 3.156 0.117 1.00 0.00 N ATOM 0 H LYS A 16 -16.949 3.588 2.116 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.364 1.148 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.204 3.423 0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.330 2.092 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.529 2.693 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.261 3.782 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.146 5.070 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.727 5.293 0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.736 5.004 -0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.608 3.690 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.927 2.972 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.885 2.268 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.912 3.540 0.887 1.00 0.00 H new ATOM 352 N GLU A 17 -16.299 1.375 -0.276 1.00 0.00 N ATOM 353 CA GLU A 17 -15.628 0.567 -1.279 1.00 0.00 C ATOM 354 C GLU A 17 -14.566 -0.347 -0.668 1.00 0.00 C ATOM 355 O GLU A 17 -14.366 -1.454 -1.168 1.00 0.00 O ATOM 356 CB GLU A 17 -15.325 1.411 -2.524 1.00 0.00 C ATOM 357 CG GLU A 17 -16.603 1.553 -3.402 1.00 0.00 C ATOM 358 CD GLU A 17 -17.937 1.810 -2.653 1.00 0.00 C ATOM 359 OE1 GLU A 17 -18.568 0.807 -2.224 1.00 0.00 O ATOM 360 OE2 GLU A 17 -18.342 2.983 -2.481 1.00 0.00 O ATOM 0 H GLU A 17 -16.068 2.368 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.277 -0.201 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.968 2.397 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.527 0.945 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.444 2.371 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.714 0.643 -3.992 1.00 0.00 H new ATOM 367 N GLY A 18 -13.907 0.072 0.418 1.00 0.00 N ATOM 368 CA GLY A 18 -12.919 -0.729 1.138 1.00 0.00 C ATOM 369 C GLY A 18 -13.663 -1.948 1.685 1.00 0.00 C ATOM 370 O GLY A 18 -13.229 -3.094 1.537 1.00 0.00 O ATOM 0 H GLY A 18 -14.050 0.996 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.109 -1.034 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.469 -0.154 1.947 1.00 0.00 H new ATOM 374 N GLU A 19 -14.848 -1.723 2.264 1.00 0.00 N ATOM 375 CA GLU A 19 -15.663 -2.807 2.782 1.00 0.00 C ATOM 376 C GLU A 19 -16.114 -3.710 1.631 1.00 0.00 C ATOM 377 O GLU A 19 -16.161 -4.929 1.791 1.00 0.00 O ATOM 378 CB GLU A 19 -16.893 -2.241 3.490 1.00 0.00 C ATOM 379 CG GLU A 19 -17.870 -3.340 3.914 1.00 0.00 C ATOM 380 CD GLU A 19 -19.083 -2.754 4.613 1.00 0.00 C ATOM 381 OE1 GLU A 19 -18.926 -2.139 5.689 1.00 0.00 O ATOM 382 OE2 GLU A 19 -20.214 -2.940 4.110 1.00 0.00 O ATOM 0 H GLU A 19 -15.257 -0.796 2.382 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.072 -3.386 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.578 -1.678 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.401 -1.540 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.189 -3.905 3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.367 -4.041 4.580 1.00 0.00 H new ATOM 389 N LYS A 20 -16.400 -3.158 0.453 1.00 0.00 N ATOM 390 CA LYS A 20 -16.857 -3.963 -0.668 1.00 0.00 C ATOM 391 C LYS A 20 -15.742 -4.899 -1.130 1.00 0.00 C ATOM 392 O LYS A 20 -15.999 -6.103 -1.226 1.00 0.00 O ATOM 393 CB LYS A 20 -17.310 -3.010 -1.789 1.00 0.00 C ATOM 394 CG LYS A 20 -18.024 -3.700 -2.962 1.00 0.00 C ATOM 395 CD LYS A 20 -18.144 -2.777 -4.187 1.00 0.00 C ATOM 396 CE LYS A 20 -19.044 -1.560 -3.944 1.00 0.00 C ATOM 397 NZ LYS A 20 -20.433 -1.764 -4.400 1.00 0.00 N ATOM 0 H LYS A 20 -16.322 -2.160 0.255 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.699 -4.591 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.978 -2.261 -1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.438 -2.480 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.477 -4.601 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.019 -4.015 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.150 -2.434 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.538 -3.349 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.049 -1.326 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.623 -0.696 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.991 -0.907 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.438 -1.959 -5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.850 -2.570 -3.892 1.00 0.00 H new ATOM 411 N ILE A 21 -14.510 -4.394 -1.307 1.00 0.00 N ATOM 412 CA ILE A 21 -13.426 -5.254 -1.773 1.00 0.00 C ATOM 413 C ILE A 21 -12.992 -6.257 -0.703 1.00 0.00 C ATOM 414 O ILE A 21 -12.743 -7.412 -1.048 1.00 0.00 O ATOM 415 CB ILE A 21 -12.253 -4.369 -2.278 1.00 0.00 C ATOM 416 CG1 ILE A 21 -11.104 -5.122 -2.968 1.00 0.00 C ATOM 417 CG2 ILE A 21 -11.616 -3.505 -1.179 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.552 -6.109 -4.043 1.00 0.00 C ATOM 0 H ILE A 21 -14.250 -3.422 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.782 -5.859 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.761 -3.749 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.428 -4.395 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.534 -5.661 -2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.805 -2.914 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.369 -2.838 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.222 -4.149 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.678 -6.595 -4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -12.202 -6.862 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.095 -5.576 -4.823 1.00 0.00 H new ATOM 430 N ARG A 22 -13.096 -5.923 0.589 1.00 0.00 N ATOM 431 CA ARG A 22 -12.693 -6.865 1.632 1.00 0.00 C ATOM 432 C ARG A 22 -13.787 -7.902 1.842 1.00 0.00 C ATOM 433 O ARG A 22 -13.492 -9.049 2.153 1.00 0.00 O ATOM 434 CB ARG A 22 -12.249 -6.120 2.900 1.00 0.00 C ATOM 435 CG ARG A 22 -13.371 -5.672 3.841 1.00 0.00 C ATOM 436 CD ARG A 22 -13.596 -6.674 4.972 1.00 0.00 C ATOM 437 NE ARG A 22 -14.740 -6.293 5.816 1.00 0.00 N ATOM 438 CZ ARG A 22 -15.316 -7.093 6.720 1.00 0.00 C ATOM 439 NH1 ARG A 22 -14.835 -8.313 6.924 1.00 0.00 N ATOM 440 NH2 ARG A 22 -16.375 -6.675 7.402 1.00 0.00 N ATOM 0 H ARG A 22 -13.448 -5.028 0.929 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.811 -7.425 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.570 -6.765 3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.680 -5.240 2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.125 -4.697 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.294 -5.550 3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.768 -7.665 4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.697 -6.739 5.585 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.120 -5.353 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.028 -8.639 6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.272 -8.925 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.752 -5.742 7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.812 -7.287 8.091 1.00 0.00 H new ATOM 454 N LYS A 23 -15.065 -7.539 1.659 1.00 0.00 N ATOM 455 CA LYS A 23 -16.149 -8.498 1.815 1.00 0.00 C ATOM 456 C LYS A 23 -15.990 -9.550 0.719 1.00 0.00 C ATOM 457 O LYS A 23 -16.023 -10.739 1.029 1.00 0.00 O ATOM 458 CB LYS A 23 -17.533 -7.831 1.730 1.00 0.00 C ATOM 459 CG LYS A 23 -18.060 -7.278 3.070 1.00 0.00 C ATOM 460 CD LYS A 23 -19.524 -6.820 2.901 1.00 0.00 C ATOM 461 CE LYS A 23 -20.354 -6.812 4.195 1.00 0.00 C ATOM 462 NZ LYS A 23 -20.164 -5.615 5.038 1.00 0.00 N ATOM 0 H LYS A 23 -15.363 -6.597 1.406 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.092 -8.952 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.486 -7.015 1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.249 -8.557 1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.995 -8.045 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.442 -6.442 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.528 -5.816 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.012 -7.473 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.409 -6.894 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.100 -7.696 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.665 -5.743 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.150 -5.477 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.544 -4.781 4.547 1.00 0.00 H new ATOM 476 N LYS A 24 -15.780 -9.153 -0.550 1.00 0.00 N ATOM 477 CA LYS A 24 -15.613 -10.115 -1.622 1.00 0.00 C ATOM 478 C LYS A 24 -14.325 -10.919 -1.492 1.00 0.00 C ATOM 479 O LYS A 24 -14.399 -12.141 -1.594 1.00 0.00 O ATOM 480 CB LYS A 24 -15.572 -9.367 -2.964 1.00 0.00 C ATOM 481 CG LYS A 24 -15.886 -10.309 -4.130 1.00 0.00 C ATOM 482 CD LYS A 24 -17.361 -10.296 -4.529 1.00 0.00 C ATOM 483 CE LYS A 24 -18.360 -10.876 -3.523 1.00 0.00 C ATOM 484 NZ LYS A 24 -18.710 -9.942 -2.435 1.00 0.00 N ATOM 0 H LYS A 24 -15.724 -8.178 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.454 -10.807 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.292 -8.548 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.587 -8.923 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.280 -10.027 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.598 -11.324 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.647 -9.264 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.464 -10.847 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.269 -11.164 -4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.942 -11.785 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.416 -10.346 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.223 -9.036 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.738 -9.785 -2.429 1.00 0.00 H new ATOM 498 N TYR A 25 -13.193 -10.272 -1.215 1.00 0.00 N ATOM 499 CA TYR A 25 -11.910 -10.941 -1.108 1.00 0.00 C ATOM 500 C TYR A 25 -11.263 -10.630 0.244 1.00 0.00 C ATOM 501 O TYR A 25 -10.420 -9.741 0.336 1.00 0.00 O ATOM 502 CB TYR A 25 -11.041 -10.585 -2.323 1.00 0.00 C ATOM 503 CG TYR A 25 -11.657 -10.915 -3.681 1.00 0.00 C ATOM 504 CD1 TYR A 25 -12.315 -12.144 -3.897 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.568 -9.991 -4.740 1.00 0.00 C ATOM 506 CE1 TYR A 25 -12.954 -12.412 -5.119 1.00 0.00 C ATOM 507 CE2 TYR A 25 -12.185 -10.263 -5.976 1.00 0.00 C ATOM 508 CZ TYR A 25 -12.916 -11.460 -6.159 1.00 0.00 C ATOM 509 OH TYR A 25 -13.607 -11.686 -7.311 1.00 0.00 O ATOM 0 H TYR A 25 -13.147 -9.265 -1.059 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.036 -12.023 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.820 -9.518 -2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -10.090 -11.110 -2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.328 -12.888 -3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.023 -9.068 -4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.475 -13.347 -5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.100 -9.555 -6.787 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.476 -10.933 -7.924 1.00 0.00 H new ATOM 519 N PRO A 26 -11.645 -11.358 1.307 1.00 0.00 N ATOM 520 CA PRO A 26 -11.128 -11.166 2.660 1.00 0.00 C ATOM 521 C PRO A 26 -9.696 -11.671 2.854 1.00 0.00 C ATOM 522 O PRO A 26 -9.118 -11.441 3.918 1.00 0.00 O ATOM 523 CB PRO A 26 -12.088 -11.971 3.546 1.00 0.00 C ATOM 524 CG PRO A 26 -12.511 -13.120 2.641 1.00 0.00 C ATOM 525 CD PRO A 26 -12.627 -12.430 1.293 1.00 0.00 C ATOM 0 HA PRO A 26 -11.081 -10.104 2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.597 -12.330 4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.942 -11.372 3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.773 -13.922 2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.456 -13.562 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.431 -13.128 0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.632 -12.037 1.141 1.00 0.00 H new ATOM 533 N ASP A 27 -9.115 -12.345 1.858 1.00 0.00 N ATOM 534 CA ASP A 27 -7.763 -12.897 1.942 1.00 0.00 C ATOM 535 C ASP A 27 -6.699 -11.947 1.399 1.00 0.00 C ATOM 536 O ASP A 27 -5.517 -12.293 1.381 1.00 0.00 O ATOM 537 CB ASP A 27 -7.698 -14.258 1.244 1.00 0.00 C ATOM 538 CG ASP A 27 -8.829 -15.180 1.674 1.00 0.00 C ATOM 539 OD1 ASP A 27 -8.995 -15.397 2.893 1.00 0.00 O ATOM 540 OD2 ASP A 27 -9.622 -15.561 0.784 1.00 0.00 O ATOM 0 H ASP A 27 -9.574 -12.524 0.965 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.538 -13.032 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.740 -14.113 0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.742 -14.732 1.465 1.00 0.00 H new ATOM 545 N ARG A 28 -7.094 -10.780 0.883 1.00 0.00 N ATOM 546 CA ARG A 28 -6.176 -9.768 0.361 1.00 0.00 C ATOM 547 C ARG A 28 -6.571 -8.418 0.945 1.00 0.00 C ATOM 548 O ARG A 28 -7.704 -8.250 1.390 1.00 0.00 O ATOM 549 CB ARG A 28 -6.023 -9.782 -1.173 1.00 0.00 C ATOM 550 CG ARG A 28 -7.283 -10.004 -2.023 1.00 0.00 C ATOM 551 CD ARG A 28 -7.407 -11.452 -2.521 1.00 0.00 C ATOM 552 NE ARG A 28 -8.044 -11.499 -3.850 1.00 0.00 N ATOM 553 CZ ARG A 28 -8.731 -12.523 -4.367 1.00 0.00 C ATOM 554 NH1 ARG A 28 -8.846 -13.665 -3.698 1.00 0.00 N ATOM 555 NH2 ARG A 28 -9.310 -12.394 -5.558 1.00 0.00 N ATOM 0 H ARG A 28 -8.075 -10.509 0.816 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.164 -10.006 0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.582 -8.832 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.306 -10.562 -1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.164 -9.748 -1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.264 -9.329 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.419 -11.910 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.993 -12.036 -1.811 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.951 -10.667 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.408 -13.766 -2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.372 -14.441 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.229 -11.517 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.835 -13.172 -5.957 1.00 0.00 H new ATOM 569 N VAL A 29 -5.648 -7.460 0.927 1.00 0.00 N ATOM 570 CA VAL A 29 -5.846 -6.127 1.479 1.00 0.00 C ATOM 571 C VAL A 29 -5.371 -5.057 0.484 1.00 0.00 C ATOM 572 O VAL A 29 -4.318 -5.243 -0.148 1.00 0.00 O ATOM 573 CB VAL A 29 -5.136 -6.084 2.858 1.00 0.00 C ATOM 574 CG1 VAL A 29 -3.670 -6.559 2.820 1.00 0.00 C ATOM 575 CG2 VAL A 29 -5.216 -4.706 3.531 1.00 0.00 C ATOM 0 H VAL A 29 -4.723 -7.594 0.519 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.901 -5.904 1.640 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.697 -6.797 3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.242 -6.500 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.631 -7.590 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.099 -5.923 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.702 -4.740 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.743 -3.961 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.261 -4.438 3.688 1.00 0.00 H new ATOM 585 N PRO A 30 -6.147 -3.969 0.269 1.00 0.00 N ATOM 586 CA PRO A 30 -5.778 -2.886 -0.625 1.00 0.00 C ATOM 587 C PRO A 30 -4.746 -2.009 0.103 1.00 0.00 C ATOM 588 O PRO A 30 -4.971 -1.597 1.249 1.00 0.00 O ATOM 589 CB PRO A 30 -7.081 -2.162 -0.951 1.00 0.00 C ATOM 590 CG PRO A 30 -7.904 -2.326 0.324 1.00 0.00 C ATOM 591 CD PRO A 30 -7.412 -3.647 0.919 1.00 0.00 C ATOM 0 HA PRO A 30 -5.313 -3.205 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.909 -1.112 -1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.582 -2.604 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.744 -1.495 1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.972 -2.360 0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.278 -3.557 1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.142 -4.439 0.753 1.00 0.00 H new ATOM 599 N VAL A 31 -3.646 -1.685 -0.578 1.00 0.00 N ATOM 600 CA VAL A 31 -2.555 -0.909 -0.007 1.00 0.00 C ATOM 601 C VAL A 31 -2.204 0.317 -0.857 1.00 0.00 C ATOM 602 O VAL A 31 -2.107 0.228 -2.087 1.00 0.00 O ATOM 603 CB VAL A 31 -1.352 -1.849 0.219 1.00 0.00 C ATOM 604 CG1 VAL A 31 -0.509 -1.353 1.390 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.714 -3.311 0.530 1.00 0.00 C ATOM 0 H VAL A 31 -3.490 -1.958 -1.548 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.866 -0.498 0.954 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.818 -1.830 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.337 -2.024 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.142 -0.349 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.119 -1.330 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.801 -3.890 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.315 -3.352 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.283 -3.729 -0.300 1.00 0.00 H new ATOM 615 N ILE A 32 -1.966 1.455 -0.199 1.00 0.00 N ATOM 616 CA ILE A 32 -1.605 2.742 -0.806 1.00 0.00 C ATOM 617 C ILE A 32 -0.080 2.890 -0.749 1.00 0.00 C ATOM 618 O ILE A 32 0.522 2.524 0.260 1.00 0.00 O ATOM 619 CB ILE A 32 -2.308 3.906 -0.062 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.833 3.668 0.003 1.00 0.00 C ATOM 621 CG2 ILE A 32 -1.990 5.254 -0.736 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.607 4.756 0.748 1.00 0.00 C ATOM 0 H ILE A 32 -2.022 1.508 0.818 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.934 2.775 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.927 3.941 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.221 3.593 -1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.019 2.709 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.493 6.057 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.914 5.424 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.338 5.235 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.669 4.512 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.250 4.818 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.455 5.715 0.253 1.00 0.00 H new ATOM 634 N VAL A 33 0.564 3.335 -1.834 1.00 0.00 N ATOM 635 CA VAL A 33 2.016 3.537 -1.902 1.00 0.00 C ATOM 636 C VAL A 33 2.311 5.025 -1.728 1.00 0.00 C ATOM 637 O VAL A 33 1.714 5.852 -2.429 1.00 0.00 O ATOM 638 CB VAL A 33 2.584 3.021 -3.248 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.020 3.482 -3.545 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.598 1.492 -3.269 1.00 0.00 C ATOM 0 H VAL A 33 0.084 3.569 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 33 2.499 2.971 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 33 1.923 3.441 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.341 3.077 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.052 4.571 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.686 3.125 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.000 1.145 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.222 1.123 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.582 1.117 -3.146 1.00 0.00 H new ATOM 650 N GLU A 34 3.270 5.370 -0.867 1.00 0.00 N ATOM 651 CA GLU A 34 3.698 6.741 -0.596 1.00 0.00 C ATOM 652 C GLU A 34 5.237 6.791 -0.556 1.00 0.00 C ATOM 653 O GLU A 34 5.877 5.896 -0.004 1.00 0.00 O ATOM 654 CB GLU A 34 3.049 7.232 0.710 1.00 0.00 C ATOM 655 CG GLU A 34 1.521 7.326 0.552 1.00 0.00 C ATOM 656 CD GLU A 34 0.812 7.756 1.830 1.00 0.00 C ATOM 657 OE1 GLU A 34 0.838 8.970 2.136 1.00 0.00 O ATOM 658 OE2 GLU A 34 0.128 6.911 2.433 1.00 0.00 O ATOM 0 H GLU A 34 3.786 4.679 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 34 3.371 7.415 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.295 6.550 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.453 8.208 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.287 8.035 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.134 6.357 0.238 1.00 0.00 H new ATOM 665 N LYS A 35 5.844 7.823 -1.154 1.00 0.00 N ATOM 666 CA LYS A 35 7.295 8.024 -1.208 1.00 0.00 C ATOM 667 C LYS A 35 7.691 9.095 -0.198 1.00 0.00 C ATOM 668 O LYS A 35 7.008 10.128 -0.107 1.00 0.00 O ATOM 669 CB LYS A 35 7.752 8.321 -2.661 1.00 0.00 C ATOM 670 CG LYS A 35 7.730 9.772 -3.202 1.00 0.00 C ATOM 671 CD LYS A 35 8.893 10.702 -2.801 1.00 0.00 C ATOM 672 CE LYS A 35 10.307 10.178 -3.090 1.00 0.00 C ATOM 673 NZ LYS A 35 10.727 10.326 -4.498 1.00 0.00 N ATOM 0 H LYS A 35 5.323 8.562 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 35 7.820 7.112 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.774 7.954 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.131 7.719 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.698 9.724 -4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.800 10.238 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.767 11.652 -3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.815 10.908 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.016 10.706 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.356 9.124 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.720 10.632 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.628 9.414 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.129 11.037 -4.966 1.00 0.00 H new ATOM 687 N ALA A 36 8.797 8.883 0.512 1.00 0.00 N ATOM 688 CA ALA A 36 9.310 9.817 1.506 1.00 0.00 C ATOM 689 C ALA A 36 10.284 10.779 0.838 1.00 0.00 C ATOM 690 O ALA A 36 10.862 10.446 -0.198 1.00 0.00 O ATOM 691 CB ALA A 36 10.078 9.037 2.570 1.00 0.00 C ATOM 0 H ALA A 36 9.369 8.045 0.410 1.00 0.00 H new ATOM 0 HA ALA A 36 8.479 10.364 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.466 9.728 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.410 8.321 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.907 8.505 2.103 1.00 0.00 H new ATOM 697 N PRO A 37 10.495 11.968 1.418 1.00 0.00 N ATOM 698 CA PRO A 37 11.412 12.927 0.843 1.00 0.00 C ATOM 699 C PRO A 37 12.852 12.407 0.893 1.00 0.00 C ATOM 700 O PRO A 37 13.185 11.464 1.620 1.00 0.00 O ATOM 701 CB PRO A 37 11.199 14.217 1.631 1.00 0.00 C ATOM 702 CG PRO A 37 10.515 13.806 2.928 1.00 0.00 C ATOM 703 CD PRO A 37 9.873 12.465 2.636 1.00 0.00 C ATOM 0 HA PRO A 37 11.226 13.103 -0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.148 14.714 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.583 14.920 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.234 13.728 3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.769 14.542 3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.029 11.772 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.796 12.570 2.507 1.00 0.00 H new ATOM 711 N LYS A 38 13.722 13.083 0.138 1.00 0.00 N ATOM 712 CA LYS A 38 15.153 12.816 -0.007 1.00 0.00 C ATOM 713 C LYS A 38 15.478 11.446 -0.609 1.00 0.00 C ATOM 714 O LYS A 38 16.659 11.133 -0.765 1.00 0.00 O ATOM 715 CB LYS A 38 15.878 13.011 1.335 1.00 0.00 C ATOM 716 CG LYS A 38 15.618 14.380 1.972 1.00 0.00 C ATOM 717 CD LYS A 38 16.525 14.642 3.181 1.00 0.00 C ATOM 718 CE LYS A 38 16.160 15.995 3.790 1.00 0.00 C ATOM 719 NZ LYS A 38 16.661 17.126 2.987 1.00 0.00 N ATOM 0 H LYS A 38 13.426 13.882 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 38 15.520 13.546 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.562 12.230 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.950 12.887 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.775 15.160 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.575 14.441 2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.405 13.851 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.571 14.636 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.076 16.069 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.569 16.059 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.433 18.020 3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.692 17.045 2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.212 17.112 2.049 1.00 0.00 H new ATOM 733 N ALA A 39 14.487 10.636 -0.980 1.00 0.00 N ATOM 734 CA ALA A 39 14.742 9.324 -1.539 1.00 0.00 C ATOM 735 C ALA A 39 15.482 9.426 -2.871 1.00 0.00 C ATOM 736 O ALA A 39 15.238 10.330 -3.674 1.00 0.00 O ATOM 737 CB ALA A 39 13.427 8.571 -1.704 1.00 0.00 C ATOM 0 H ALA A 39 13.498 10.874 -0.900 1.00 0.00 H new ATOM 0 HA ALA A 39 15.382 8.771 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.623 7.585 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.946 8.462 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.771 9.127 -2.373 1.00 0.00 H new ATOM 743 N ARG A 40 16.367 8.464 -3.131 1.00 0.00 N ATOM 744 CA ARG A 40 17.162 8.379 -4.354 1.00 0.00 C ATOM 745 C ARG A 40 16.589 7.312 -5.296 1.00 0.00 C ATOM 746 O ARG A 40 16.913 7.337 -6.488 1.00 0.00 O ATOM 747 CB ARG A 40 18.632 8.174 -3.943 1.00 0.00 C ATOM 748 CG ARG A 40 19.685 8.159 -5.064 1.00 0.00 C ATOM 749 CD ARG A 40 20.006 6.751 -5.565 1.00 0.00 C ATOM 750 NE ARG A 40 21.390 6.636 -6.030 1.00 0.00 N ATOM 751 CZ ARG A 40 21.913 7.068 -7.178 1.00 0.00 C ATOM 752 NH1 ARG A 40 21.131 7.543 -8.147 1.00 0.00 N ATOM 753 NH2 ARG A 40 23.225 6.992 -7.344 1.00 0.00 N ATOM 0 H ARG A 40 16.555 7.703 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 40 17.118 9.298 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.899 8.964 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.702 7.230 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.328 8.763 -5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.600 8.627 -4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 40 19.832 6.033 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 40 19.328 6.492 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 40 22.036 6.166 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 40 20.120 7.579 -8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.543 7.870 -9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 40 23.812 6.609 -6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 40 23.649 7.316 -8.213 1.00 0.00 H new ATOM 767 N VAL A 41 15.616 6.515 -4.840 1.00 0.00 N ATOM 768 CA VAL A 41 15.006 5.461 -5.641 1.00 0.00 C ATOM 769 C VAL A 41 13.914 6.094 -6.510 1.00 0.00 C ATOM 770 O VAL A 41 13.207 6.992 -6.034 1.00 0.00 O ATOM 771 CB VAL A 41 14.360 4.373 -4.745 1.00 0.00 C ATOM 772 CG1 VAL A 41 15.324 3.255 -4.349 1.00 0.00 C ATOM 773 CG2 VAL A 41 13.710 4.875 -3.444 1.00 0.00 C ATOM 0 H VAL A 41 15.231 6.588 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 41 15.778 4.989 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 41 13.577 4.001 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.803 2.530 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 41 15.695 2.759 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.162 3.677 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.291 4.030 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 41 14.462 5.368 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.916 5.582 -3.683 1.00 0.00 H new ATOM 783 N PRO A 42 13.757 5.666 -7.775 1.00 0.00 N ATOM 784 CA PRO A 42 12.743 6.223 -8.657 1.00 0.00 C ATOM 785 C PRO A 42 11.341 5.816 -8.198 1.00 0.00 C ATOM 786 O PRO A 42 11.146 4.746 -7.615 1.00 0.00 O ATOM 787 CB PRO A 42 13.093 5.708 -10.051 1.00 0.00 C ATOM 788 CG PRO A 42 13.843 4.400 -9.800 1.00 0.00 C ATOM 789 CD PRO A 42 14.518 4.620 -8.446 1.00 0.00 C ATOM 0 HA PRO A 42 12.732 7.313 -8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.197 5.543 -10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.712 6.422 -10.594 1.00 0.00 H new ATOM 0 HG2 PRO A 42 13.164 3.548 -9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 42 14.574 4.201 -10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 42 14.519 3.702 -7.858 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.559 4.918 -8.574 1.00 0.00 H new ATOM 797 N ASP A 43 10.365 6.663 -8.509 1.00 0.00 N ATOM 798 CA ASP A 43 8.949 6.515 -8.164 1.00 0.00 C ATOM 799 C ASP A 43 8.183 5.772 -9.258 1.00 0.00 C ATOM 800 O ASP A 43 8.737 5.517 -10.334 1.00 0.00 O ATOM 801 CB ASP A 43 8.328 7.884 -7.851 1.00 0.00 C ATOM 802 CG ASP A 43 9.164 8.636 -6.816 1.00 0.00 C ATOM 803 OD1 ASP A 43 9.343 8.130 -5.685 1.00 0.00 O ATOM 804 OD2 ASP A 43 9.761 9.686 -7.150 1.00 0.00 O ATOM 0 H ASP A 43 10.547 7.517 -9.036 1.00 0.00 H new ATOM 0 HA ASP A 43 8.876 5.905 -7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.257 8.473 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.313 7.751 -7.478 1.00 0.00 H new ATOM 809 N LEU A 44 6.957 5.327 -8.973 1.00 0.00 N ATOM 810 CA LEU A 44 6.095 4.600 -9.905 1.00 0.00 C ATOM 811 C LEU A 44 4.779 5.343 -10.099 1.00 0.00 C ATOM 812 O LEU A 44 4.317 6.037 -9.194 1.00 0.00 O ATOM 813 CB LEU A 44 5.779 3.195 -9.356 1.00 0.00 C ATOM 814 CG LEU A 44 6.974 2.229 -9.290 1.00 0.00 C ATOM 815 CD1 LEU A 44 6.509 0.908 -8.660 1.00 0.00 C ATOM 816 CD2 LEU A 44 7.551 1.955 -10.683 1.00 0.00 C ATOM 0 H LEU A 44 6.525 5.467 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 44 6.622 4.520 -10.856 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.363 3.300 -8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.004 2.746 -9.978 1.00 0.00 H new ATOM 0 HG LEU A 44 7.758 2.687 -8.686 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.348 0.214 -8.608 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.132 1.097 -7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.717 0.473 -9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.394 1.269 -10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.782 1.510 -11.314 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.888 2.891 -11.128 1.00 0.00 H new ATOM 828 N ASP A 45 4.147 5.135 -11.253 1.00 0.00 N ATOM 829 CA ASP A 45 2.872 5.737 -11.620 1.00 0.00 C ATOM 830 C ASP A 45 1.736 5.221 -10.732 1.00 0.00 C ATOM 831 O ASP A 45 1.007 6.019 -10.140 1.00 0.00 O ATOM 832 CB ASP A 45 2.556 5.499 -13.113 1.00 0.00 C ATOM 833 CG ASP A 45 2.080 4.079 -13.458 1.00 0.00 C ATOM 834 OD1 ASP A 45 2.772 3.105 -13.073 1.00 0.00 O ATOM 835 OD2 ASP A 45 0.989 3.946 -14.064 1.00 0.00 O ATOM 0 H ASP A 45 4.522 4.524 -11.979 1.00 0.00 H new ATOM 0 HA ASP A 45 2.957 6.812 -11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.789 6.209 -13.424 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.450 5.718 -13.697 1.00 0.00 H new ATOM 840 N LYS A 46 1.618 3.898 -10.604 1.00 0.00 N ATOM 841 CA LYS A 46 0.592 3.208 -9.834 1.00 0.00 C ATOM 842 C LYS A 46 0.725 3.516 -8.352 1.00 0.00 C ATOM 843 O LYS A 46 1.832 3.471 -7.802 1.00 0.00 O ATOM 844 CB LYS A 46 0.637 1.703 -10.163 1.00 0.00 C ATOM 845 CG LYS A 46 0.080 1.462 -11.577 1.00 0.00 C ATOM 846 CD LYS A 46 0.514 0.151 -12.249 1.00 0.00 C ATOM 847 CE LYS A 46 0.729 0.422 -13.745 1.00 0.00 C ATOM 848 NZ LYS A 46 0.837 -0.812 -14.542 1.00 0.00 N ATOM 0 H LYS A 46 2.266 3.253 -11.056 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.397 3.570 -10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.662 1.338 -10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.053 1.144 -9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.009 1.480 -11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.383 2.293 -12.214 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.432 -0.222 -11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.246 -0.617 -12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.099 1.021 -14.123 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.636 1.013 -13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.981 -0.568 -15.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.644 -1.374 -14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.037 -1.366 -14.444 1.00 0.00 H new ATOM 862 N ARG A 47 -0.417 3.761 -7.697 1.00 0.00 N ATOM 863 CA ARG A 47 -0.478 4.093 -6.269 1.00 0.00 C ATOM 864 C ARG A 47 -1.390 3.179 -5.451 1.00 0.00 C ATOM 865 O ARG A 47 -1.131 3.018 -4.260 1.00 0.00 O ATOM 866 CB ARG A 47 -0.928 5.552 -6.077 1.00 0.00 C ATOM 867 CG ARG A 47 -0.133 6.579 -6.902 1.00 0.00 C ATOM 868 CD ARG A 47 -0.513 8.026 -6.561 1.00 0.00 C ATOM 869 NE ARG A 47 -1.950 8.289 -6.763 1.00 0.00 N ATOM 870 CZ ARG A 47 -2.584 8.430 -7.934 1.00 0.00 C ATOM 871 NH1 ARG A 47 -1.901 8.443 -9.078 1.00 0.00 N ATOM 872 NH2 ARG A 47 -3.912 8.539 -7.960 1.00 0.00 N ATOM 0 H ARG A 47 -1.332 3.734 -8.148 1.00 0.00 H new ATOM 0 HA ARG A 47 0.535 3.945 -5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.983 5.631 -6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.843 5.809 -5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.933 6.435 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.307 6.401 -7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.250 8.234 -5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.070 8.708 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.521 8.372 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.886 8.345 -9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.393 8.551 -9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.443 8.515 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.398 8.647 -8.851 1.00 0.00 H new ATOM 886 N LYS A 48 -2.443 2.594 -6.039 1.00 0.00 N ATOM 887 CA LYS A 48 -3.380 1.705 -5.339 1.00 0.00 C ATOM 888 C LYS A 48 -3.089 0.273 -5.772 1.00 0.00 C ATOM 889 O LYS A 48 -3.169 -0.051 -6.958 1.00 0.00 O ATOM 890 CB LYS A 48 -4.833 2.157 -5.579 1.00 0.00 C ATOM 891 CG LYS A 48 -5.292 2.214 -7.050 1.00 0.00 C ATOM 892 CD LYS A 48 -6.252 3.374 -7.367 1.00 0.00 C ATOM 893 CE LYS A 48 -7.547 3.399 -6.539 1.00 0.00 C ATOM 894 NZ LYS A 48 -7.508 4.346 -5.399 1.00 0.00 N ATOM 0 H LYS A 48 -2.670 2.726 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.245 1.753 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.496 1.481 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.961 3.147 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.414 2.299 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.781 1.273 -7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.723 4.314 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.516 3.327 -8.423 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.379 3.663 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.745 2.396 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.878 3.879 -4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.527 4.647 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.092 5.178 -5.619 1.00 0.00 H new ATOM 908 N TYR A 49 -2.818 -0.593 -4.804 1.00 0.00 N ATOM 909 CA TYR A 49 -2.463 -1.987 -5.014 1.00 0.00 C ATOM 910 C TYR A 49 -3.266 -2.921 -4.116 1.00 0.00 C ATOM 911 O TYR A 49 -4.003 -2.448 -3.255 1.00 0.00 O ATOM 912 CB TYR A 49 -0.968 -2.129 -4.721 1.00 0.00 C ATOM 913 CG TYR A 49 -0.045 -1.330 -5.622 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.236 0.015 -5.321 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.577 -1.939 -6.726 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.149 0.742 -6.102 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.503 -1.221 -7.504 1.00 0.00 C ATOM 918 CZ TYR A 49 1.811 0.118 -7.181 1.00 0.00 C ATOM 919 OH TYR A 49 2.742 0.803 -7.900 1.00 0.00 O ATOM 0 H TYR A 49 -2.841 -0.333 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.692 -2.269 -6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.788 -1.829 -3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.699 -3.183 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.253 0.491 -4.484 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.343 -2.963 -6.978 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.345 1.780 -5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.979 -1.695 -8.350 1.00 0.00 H new ATOM 0 HH TYR A 49 2.519 1.757 -7.899 1.00 0.00 H new ATOM 929 N LEU A 50 -3.133 -4.234 -4.312 1.00 0.00 N ATOM 930 CA LEU A 50 -3.799 -5.298 -3.564 1.00 0.00 C ATOM 931 C LEU A 50 -2.822 -6.463 -3.401 1.00 0.00 C ATOM 932 O LEU A 50 -2.242 -6.902 -4.403 1.00 0.00 O ATOM 933 CB LEU A 50 -5.046 -5.763 -4.344 1.00 0.00 C ATOM 934 CG LEU A 50 -6.369 -5.373 -3.672 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.520 -5.550 -4.660 1.00 0.00 C ATOM 936 CD2 LEU A 50 -6.678 -6.219 -2.438 1.00 0.00 C ATOM 0 H LEU A 50 -2.521 -4.603 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.107 -4.937 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.017 -5.337 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.011 -6.847 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.264 -4.334 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.458 -5.272 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.355 -4.913 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.570 -6.591 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.625 -5.898 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.747 -7.268 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.882 -6.095 -1.703 1.00 0.00 H new ATOM 948 N VAL A 51 -2.644 -6.972 -2.177 1.00 0.00 N ATOM 949 CA VAL A 51 -1.737 -8.100 -1.894 1.00 0.00 C ATOM 950 C VAL A 51 -2.391 -9.115 -0.948 1.00 0.00 C ATOM 951 O VAL A 51 -3.211 -8.706 -0.122 1.00 0.00 O ATOM 952 CB VAL A 51 -0.381 -7.637 -1.319 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.563 -7.179 -2.435 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.526 -6.526 -0.278 1.00 0.00 C ATOM 0 H VAL A 51 -3.124 -6.616 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.541 -8.584 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 51 0.046 -8.505 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.510 -6.858 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.740 -8.005 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.111 -6.347 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.460 -6.242 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.006 -5.660 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.135 -6.883 0.553 1.00 0.00 H new ATOM 964 N PRO A 52 -2.036 -10.411 -1.054 1.00 0.00 N ATOM 965 CA PRO A 52 -2.578 -11.466 -0.209 1.00 0.00 C ATOM 966 C PRO A 52 -1.981 -11.393 1.204 1.00 0.00 C ATOM 967 O PRO A 52 -0.866 -10.910 1.399 1.00 0.00 O ATOM 968 CB PRO A 52 -2.233 -12.766 -0.931 1.00 0.00 C ATOM 969 CG PRO A 52 -0.930 -12.448 -1.651 1.00 0.00 C ATOM 970 CD PRO A 52 -1.083 -10.975 -2.008 1.00 0.00 C ATOM 0 HA PRO A 52 -3.655 -11.379 -0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.111 -13.592 -0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.017 -13.055 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.064 -12.620 -1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.799 -13.066 -2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.124 -10.460 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.444 -10.859 -3.030 1.00 0.00 H new ATOM 978 N SER A 53 -2.711 -11.927 2.182 1.00 0.00 N ATOM 979 CA SER A 53 -2.396 -11.963 3.605 1.00 0.00 C ATOM 980 C SER A 53 -1.116 -12.712 4.014 1.00 0.00 C ATOM 981 O SER A 53 -0.276 -12.170 4.728 1.00 0.00 O ATOM 982 CB SER A 53 -3.619 -12.572 4.312 1.00 0.00 C ATOM 983 OG SER A 53 -3.999 -13.797 3.699 1.00 0.00 O ATOM 0 H SER A 53 -3.604 -12.379 1.983 1.00 0.00 H new ATOM 0 HA SER A 53 -2.182 -10.937 3.905 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.389 -12.743 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.452 -11.869 4.278 1.00 0.00 H new ATOM 0 HG SER A 53 -4.777 -14.168 4.165 1.00 0.00 H new ATOM 989 N ASP A 54 -0.957 -13.959 3.579 1.00 0.00 N ATOM 990 CA ASP A 54 0.180 -14.829 3.923 1.00 0.00 C ATOM 991 C ASP A 54 1.550 -14.351 3.431 1.00 0.00 C ATOM 992 O ASP A 54 2.586 -14.759 3.970 1.00 0.00 O ATOM 993 CB ASP A 54 -0.090 -16.241 3.388 1.00 0.00 C ATOM 994 CG ASP A 54 0.893 -17.262 3.963 1.00 0.00 C ATOM 995 OD1 ASP A 54 0.603 -17.823 5.045 1.00 0.00 O ATOM 996 OD2 ASP A 54 1.953 -17.512 3.351 1.00 0.00 O ATOM 0 H ASP A 54 -1.630 -14.411 2.960 1.00 0.00 H new ATOM 0 HA ASP A 54 0.245 -14.808 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.109 -16.536 3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.017 -16.238 2.300 1.00 0.00 H new ATOM 1001 N LEU A 55 1.570 -13.489 2.411 1.00 0.00 N ATOM 1002 CA LEU A 55 2.783 -12.949 1.810 1.00 0.00 C ATOM 1003 C LEU A 55 3.665 -12.297 2.867 1.00 0.00 C ATOM 1004 O LEU A 55 3.243 -11.343 3.527 1.00 0.00 O ATOM 1005 CB LEU A 55 2.402 -11.949 0.703 1.00 0.00 C ATOM 1006 CG LEU A 55 3.555 -11.392 -0.161 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.301 -12.506 -0.904 1.00 0.00 C ATOM 1008 CD2 LEU A 55 2.974 -10.427 -1.203 1.00 0.00 C ATOM 0 H LEU A 55 0.718 -13.141 1.972 1.00 0.00 H new ATOM 0 HA LEU A 55 3.358 -13.761 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.685 -12.433 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.889 -11.107 1.168 1.00 0.00 H new ATOM 0 HG LEU A 55 4.257 -10.888 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.104 -12.072 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.722 -13.206 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.608 -13.034 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.780 -10.028 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.264 -10.959 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.465 -9.607 -0.696 1.00 0.00 H new ATOM 1020 N THR A 56 4.861 -12.846 3.093 1.00 0.00 N ATOM 1021 CA THR A 56 5.771 -12.249 4.054 1.00 0.00 C ATOM 1022 C THR A 56 6.185 -10.917 3.415 1.00 0.00 C ATOM 1023 O THR A 56 6.411 -10.866 2.198 1.00 0.00 O ATOM 1024 CB THR A 56 6.932 -13.207 4.385 1.00 0.00 C ATOM 1025 OG1 THR A 56 7.614 -12.810 5.558 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.976 -13.364 3.274 1.00 0.00 C ATOM 0 H THR A 56 5.210 -13.686 2.631 1.00 0.00 H new ATOM 0 HA THR A 56 5.323 -12.063 5.030 1.00 0.00 H new ATOM 0 HB THR A 56 6.438 -14.170 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.049 -12.984 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.752 -14.057 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.496 -13.753 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.423 -12.394 3.055 1.00 0.00 H new ATOM 1034 N VAL A 57 6.299 -9.851 4.211 1.00 0.00 N ATOM 1035 CA VAL A 57 6.673 -8.540 3.702 1.00 0.00 C ATOM 1036 C VAL A 57 7.978 -8.635 2.898 1.00 0.00 C ATOM 1037 O VAL A 57 8.060 -8.018 1.840 1.00 0.00 O ATOM 1038 CB VAL A 57 6.652 -7.474 4.819 1.00 0.00 C ATOM 1039 CG1 VAL A 57 5.261 -7.330 5.455 1.00 0.00 C ATOM 1040 CG2 VAL A 57 7.670 -7.744 5.923 1.00 0.00 C ATOM 0 H VAL A 57 6.135 -9.877 5.217 1.00 0.00 H new ATOM 0 HA VAL A 57 5.925 -8.188 2.992 1.00 0.00 H new ATOM 0 HB VAL A 57 6.922 -6.543 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.295 -6.569 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.541 -7.036 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.959 -8.283 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.605 -6.960 6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.460 -8.709 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.673 -7.756 5.498 1.00 0.00 H new ATOM 1050 N GLY A 58 8.943 -9.479 3.297 1.00 0.00 N ATOM 1051 CA GLY A 58 10.204 -9.662 2.589 1.00 0.00 C ATOM 1052 C GLY A 58 10.044 -9.998 1.098 1.00 0.00 C ATOM 1053 O GLY A 58 10.765 -9.409 0.295 1.00 0.00 O ATOM 0 H GLY A 58 8.861 -10.058 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.797 -8.752 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.767 -10.461 3.072 1.00 0.00 H new ATOM 1057 N GLN A 59 9.136 -10.902 0.691 1.00 0.00 N ATOM 1058 CA GLN A 59 8.951 -11.240 -0.732 1.00 0.00 C ATOM 1059 C GLN A 59 8.517 -9.995 -1.501 1.00 0.00 C ATOM 1060 O GLN A 59 9.105 -9.677 -2.542 1.00 0.00 O ATOM 1061 CB GLN A 59 7.881 -12.334 -0.914 1.00 0.00 C ATOM 1062 CG GLN A 59 8.379 -13.780 -0.775 1.00 0.00 C ATOM 1063 CD GLN A 59 7.337 -14.760 -1.325 1.00 0.00 C ATOM 1064 OE1 GLN A 59 7.202 -14.914 -2.534 1.00 0.00 O ATOM 1065 NE2 GLN A 59 6.548 -15.402 -0.485 1.00 0.00 N ATOM 0 H GLN A 59 8.520 -11.411 1.325 1.00 0.00 H new ATOM 0 HA GLN A 59 9.901 -11.613 -1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.091 -12.169 -0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.432 -12.217 -1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.320 -13.900 -1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.580 -14.003 0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.661 -15.273 0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.825 -16.027 -0.841 1.00 0.00 H new ATOM 1074 N PHE A 60 7.538 -9.264 -0.960 1.00 0.00 N ATOM 1075 CA PHE A 60 7.039 -8.055 -1.586 1.00 0.00 C ATOM 1076 C PHE A 60 8.143 -6.989 -1.637 1.00 0.00 C ATOM 1077 O PHE A 60 8.341 -6.320 -2.653 1.00 0.00 O ATOM 1078 CB PHE A 60 5.803 -7.534 -0.839 1.00 0.00 C ATOM 1079 CG PHE A 60 5.501 -6.100 -1.216 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.793 -5.815 -2.397 1.00 0.00 C ATOM 1081 CD2 PHE A 60 6.043 -5.052 -0.447 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.621 -4.481 -2.802 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.888 -3.724 -0.866 1.00 0.00 C ATOM 1084 CZ PHE A 60 5.178 -3.441 -2.041 1.00 0.00 C ATOM 0 H PHE A 60 7.077 -9.499 -0.081 1.00 0.00 H new ATOM 0 HA PHE A 60 6.741 -8.286 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.943 -8.163 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.968 -7.603 0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.383 -6.619 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.578 -5.272 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.061 -4.256 -3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.315 -2.920 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.059 -2.417 -2.363 1.00 0.00 H new ATOM 1094 N TYR A 61 8.880 -6.828 -0.540 1.00 0.00 N ATOM 1095 CA TYR A 61 9.956 -5.861 -0.401 1.00 0.00 C ATOM 1096 C TYR A 61 11.043 -6.126 -1.447 1.00 0.00 C ATOM 1097 O TYR A 61 11.585 -5.186 -2.040 1.00 0.00 O ATOM 1098 CB TYR A 61 10.452 -5.915 1.054 1.00 0.00 C ATOM 1099 CG TYR A 61 11.282 -4.742 1.522 1.00 0.00 C ATOM 1100 CD1 TYR A 61 10.908 -3.428 1.187 1.00 0.00 C ATOM 1101 CD2 TYR A 61 12.390 -4.960 2.364 1.00 0.00 C ATOM 1102 CE1 TYR A 61 11.659 -2.337 1.646 1.00 0.00 C ATOM 1103 CE2 TYR A 61 13.132 -3.870 2.847 1.00 0.00 C ATOM 1104 CZ TYR A 61 12.770 -2.552 2.487 1.00 0.00 C ATOM 1105 OH TYR A 61 13.472 -1.486 2.937 1.00 0.00 O ATOM 0 H TYR A 61 8.737 -7.387 0.301 1.00 0.00 H new ATOM 0 HA TYR A 61 9.616 -4.844 -0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.585 -6.003 1.708 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.041 -6.823 1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.036 -3.259 0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.669 -5.967 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.387 -1.333 1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 61 13.980 -4.039 3.494 1.00 0.00 H new ATOM 0 HH TYR A 61 14.207 -1.795 3.506 1.00 0.00 H new ATOM 1115 N PHE A 62 11.364 -7.403 -1.680 1.00 0.00 N ATOM 1116 CA PHE A 62 12.343 -7.818 -2.675 1.00 0.00 C ATOM 1117 C PHE A 62 11.803 -7.443 -4.054 1.00 0.00 C ATOM 1118 O PHE A 62 12.550 -6.910 -4.875 1.00 0.00 O ATOM 1119 CB PHE A 62 12.608 -9.329 -2.608 1.00 0.00 C ATOM 1120 CG PHE A 62 13.819 -9.714 -1.789 1.00 0.00 C ATOM 1121 CD1 PHE A 62 13.928 -9.304 -0.448 1.00 0.00 C ATOM 1122 CD2 PHE A 62 14.843 -10.486 -2.371 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.045 -9.680 0.308 1.00 0.00 C ATOM 1124 CE2 PHE A 62 15.980 -10.826 -1.622 1.00 0.00 C ATOM 1125 CZ PHE A 62 16.071 -10.436 -0.278 1.00 0.00 C ATOM 0 H PHE A 62 10.943 -8.182 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 62 13.290 -7.315 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.730 -9.822 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.734 -9.709 -3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 62 13.151 -8.700 -0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.753 -10.817 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.117 -9.387 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.782 -11.386 -2.079 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.933 -10.719 0.307 1.00 0.00 H new ATOM 1135 N LEU A 63 10.510 -7.698 -4.293 1.00 0.00 N ATOM 1136 CA LEU A 63 9.832 -7.415 -5.550 1.00 0.00 C ATOM 1137 C LEU A 63 9.962 -5.937 -5.893 1.00 0.00 C ATOM 1138 O LEU A 63 10.386 -5.606 -6.997 1.00 0.00 O ATOM 1139 CB LEU A 63 8.364 -7.882 -5.508 1.00 0.00 C ATOM 1140 CG LEU A 63 7.707 -7.957 -6.900 1.00 0.00 C ATOM 1141 CD1 LEU A 63 8.460 -8.947 -7.793 1.00 0.00 C ATOM 1142 CD2 LEU A 63 6.258 -8.436 -6.772 1.00 0.00 C ATOM 0 H LEU A 63 9.897 -8.118 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 63 10.313 -7.982 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.316 -8.864 -5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.791 -7.200 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 63 7.738 -6.961 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.984 -8.989 -8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.494 -8.621 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.439 -9.937 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.802 -8.486 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.241 -9.425 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.698 -7.739 -6.149 1.00 0.00 H new ATOM 1154 N ILE A 64 9.680 -5.040 -4.945 1.00 0.00 N ATOM 1155 CA ILE A 64 9.803 -3.615 -5.213 1.00 0.00 C ATOM 1156 C ILE A 64 11.253 -3.256 -5.535 1.00 0.00 C ATOM 1157 O ILE A 64 11.476 -2.647 -6.579 1.00 0.00 O ATOM 1158 CB ILE A 64 9.268 -2.746 -4.059 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.747 -2.861 -3.864 1.00 0.00 C ATOM 1160 CG2 ILE A 64 9.634 -1.272 -4.293 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.890 -2.266 -4.993 1.00 0.00 C ATOM 0 H ILE A 64 9.370 -5.275 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 64 9.181 -3.398 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 64 9.741 -3.121 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.491 -3.915 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.479 -2.368 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.251 -0.667 -3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.718 -1.170 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.193 -0.932 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.834 -2.399 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.108 -1.203 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.119 -2.773 -5.930 1.00 0.00 H new ATOM 1173 N ARG A 65 12.241 -3.617 -4.696 1.00 0.00 N ATOM 1174 CA ARG A 65 13.627 -3.233 -5.004 1.00 0.00 C ATOM 1175 C ARG A 65 14.069 -3.682 -6.402 1.00 0.00 C ATOM 1176 O ARG A 65 14.695 -2.897 -7.116 1.00 0.00 O ATOM 1177 CB ARG A 65 14.639 -3.595 -3.912 1.00 0.00 C ATOM 1178 CG ARG A 65 14.865 -5.075 -3.600 1.00 0.00 C ATOM 1179 CD ARG A 65 16.188 -5.285 -2.853 1.00 0.00 C ATOM 1180 NE ARG A 65 16.303 -4.444 -1.645 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.419 -3.854 -1.191 1.00 0.00 C ATOM 1182 NH1 ARG A 65 18.604 -4.150 -1.708 1.00 0.00 N ATOM 1183 NH2 ARG A 65 17.348 -2.960 -0.215 1.00 0.00 N ATOM 0 H ARG A 65 12.114 -4.151 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 65 13.618 -2.143 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.600 -3.163 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.325 -3.104 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.039 -5.453 -2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.872 -5.649 -4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.277 -6.334 -2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.018 -5.064 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 65 15.451 -4.297 -1.103 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.675 -4.834 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.444 -3.693 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.444 -2.720 0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.197 -2.512 0.129 1.00 0.00 H new ATOM 1197 N LYS A 66 13.772 -4.926 -6.808 1.00 0.00 N ATOM 1198 CA LYS A 66 14.156 -5.398 -8.139 1.00 0.00 C ATOM 1199 C LYS A 66 13.369 -4.639 -9.215 1.00 0.00 C ATOM 1200 O LYS A 66 13.948 -4.237 -10.223 1.00 0.00 O ATOM 1201 CB LYS A 66 14.063 -6.936 -8.247 1.00 0.00 C ATOM 1202 CG LYS A 66 12.640 -7.513 -8.207 1.00 0.00 C ATOM 1203 CD LYS A 66 12.561 -9.045 -8.243 1.00 0.00 C ATOM 1204 CE LYS A 66 12.883 -9.696 -6.893 1.00 0.00 C ATOM 1205 NZ LYS A 66 12.628 -11.151 -6.918 1.00 0.00 N ATOM 0 H LYS A 66 13.274 -5.612 -6.240 1.00 0.00 H new ATOM 0 HA LYS A 66 15.208 -5.173 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.537 -7.248 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.639 -7.376 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.146 -7.160 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.079 -7.115 -9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.560 -9.344 -8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.254 -9.421 -8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.927 -9.513 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.280 -9.233 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.856 -11.559 -5.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.626 -11.324 -7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.222 -11.595 -7.647 1.00 0.00 H new ATOM 1219 N ARG A 67 12.073 -4.375 -9.002 1.00 0.00 N ATOM 1220 CA ARG A 67 11.216 -3.667 -9.952 1.00 0.00 C ATOM 1221 C ARG A 67 11.709 -2.242 -10.201 1.00 0.00 C ATOM 1222 O ARG A 67 11.771 -1.834 -11.360 1.00 0.00 O ATOM 1223 CB ARG A 67 9.775 -3.679 -9.411 1.00 0.00 C ATOM 1224 CG ARG A 67 8.730 -3.064 -10.344 1.00 0.00 C ATOM 1225 CD ARG A 67 8.441 -3.942 -11.565 1.00 0.00 C ATOM 1226 NE ARG A 67 7.254 -3.437 -12.261 1.00 0.00 N ATOM 1227 CZ ARG A 67 6.854 -3.733 -13.496 1.00 0.00 C ATOM 1228 NH1 ARG A 67 7.517 -4.621 -14.220 1.00 0.00 N ATOM 1229 NH2 ARG A 67 5.786 -3.129 -13.999 1.00 0.00 N ATOM 0 H ARG A 67 11.586 -4.653 -8.150 1.00 0.00 H new ATOM 0 HA ARG A 67 11.248 -4.174 -10.917 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.490 -4.710 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.754 -3.142 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.805 -2.902 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.077 -2.086 -10.678 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.298 -3.941 -12.238 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.281 -4.974 -11.254 1.00 0.00 H new ATOM 0 HE ARG A 67 6.668 -2.785 -11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.340 -5.083 -13.832 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.205 -4.843 -15.165 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.278 -2.443 -13.441 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.473 -3.350 -14.944 1.00 0.00 H new ATOM 1243 N ILE A 68 12.088 -1.498 -9.159 1.00 0.00 N ATOM 1244 CA ILE A 68 12.584 -0.121 -9.289 1.00 0.00 C ATOM 1245 C ILE A 68 14.072 -0.095 -9.672 1.00 0.00 C ATOM 1246 O ILE A 68 14.664 0.981 -9.750 1.00 0.00 O ATOM 1247 CB ILE A 68 12.269 0.713 -8.024 1.00 0.00 C ATOM 1248 CG1 ILE A 68 13.139 0.280 -6.822 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.751 0.676 -7.747 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.716 0.877 -5.479 1.00 0.00 C ATOM 0 H ILE A 68 12.060 -1.833 -8.196 1.00 0.00 H new ATOM 0 HA ILE A 68 12.050 0.356 -10.111 1.00 0.00 H new ATOM 0 HB ILE A 68 12.537 1.755 -8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.113 -0.807 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.173 0.561 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.529 1.263 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.215 1.094 -8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.435 -0.355 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.383 0.518 -4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.770 1.964 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.693 0.575 -5.252 1.00 0.00 H new ATOM 1262 N HIS A 69 14.671 -1.272 -9.899 1.00 0.00 N ATOM 1263 CA HIS A 69 16.052 -1.512 -10.287 1.00 0.00 C ATOM 1264 C HIS A 69 17.060 -0.620 -9.547 1.00 0.00 C ATOM 1265 O HIS A 69 17.913 0.022 -10.168 1.00 0.00 O ATOM 1266 CB HIS A 69 16.157 -1.511 -11.825 1.00 0.00 C ATOM 1267 CG HIS A 69 15.709 -0.243 -12.519 1.00 0.00 C ATOM 1268 ND1 HIS A 69 16.504 0.836 -12.816 1.00 0.00 N ATOM 1269 CD2 HIS A 69 14.447 0.046 -12.967 1.00 0.00 C ATOM 1270 CE1 HIS A 69 15.733 1.775 -13.379 1.00 0.00 C ATOM 1271 NE2 HIS A 69 14.467 1.334 -13.527 1.00 0.00 N ATOM 0 H HIS A 69 14.153 -2.146 -9.806 1.00 0.00 H new ATOM 0 HA HIS A 69 16.352 -2.506 -9.955 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.194 -1.705 -12.099 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.565 -2.341 -12.210 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.587 -0.603 -12.901 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.079 2.754 -13.675 1.00 0.00 H new ATOM 0 HE2 HIS A 69 13.687 1.832 -13.956 1.00 0.00 H new ATOM 1279 N LEU A 70 16.974 -0.577 -8.213 1.00 0.00 N ATOM 1280 CA LEU A 70 17.881 0.218 -7.380 1.00 0.00 C ATOM 1281 C LEU A 70 19.331 -0.276 -7.483 1.00 0.00 C ATOM 1282 O LEU A 70 19.589 -1.417 -7.878 1.00 0.00 O ATOM 1283 CB LEU A 70 17.389 0.362 -5.932 1.00 0.00 C ATOM 1284 CG LEU A 70 17.059 -0.906 -5.124 1.00 0.00 C ATOM 1285 CD1 LEU A 70 18.178 -1.950 -5.042 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.694 -0.471 -3.702 1.00 0.00 C ATOM 0 H LEU A 70 16.273 -1.093 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 70 17.874 1.230 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 70 18.149 0.915 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.493 0.983 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 70 16.243 -1.399 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.839 -2.801 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.436 -2.286 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.055 -1.507 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.454 -1.350 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.538 0.054 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.830 0.192 -3.735 1.00 0.00 H new ATOM 1298 N ARG A 71 20.290 0.604 -7.195 1.00 0.00 N ATOM 1299 CA ARG A 71 21.721 0.301 -7.262 1.00 0.00 C ATOM 1300 C ARG A 71 22.172 -0.504 -6.046 1.00 0.00 C ATOM 1301 O ARG A 71 21.519 -0.451 -5.002 1.00 0.00 O ATOM 1302 CB ARG A 71 22.500 1.620 -7.287 1.00 0.00 C ATOM 1303 CG ARG A 71 22.119 2.504 -8.472 1.00 0.00 C ATOM 1304 CD ARG A 71 22.543 3.946 -8.219 1.00 0.00 C ATOM 1305 NE ARG A 71 22.313 4.744 -9.425 1.00 0.00 N ATOM 1306 CZ ARG A 71 23.057 4.693 -10.532 1.00 0.00 C ATOM 1307 NH1 ARG A 71 24.216 4.043 -10.552 1.00 0.00 N ATOM 1308 NH2 ARG A 71 22.616 5.291 -11.625 1.00 0.00 N ATOM 0 H ARG A 71 20.092 1.562 -6.904 1.00 0.00 H new ATOM 0 HA ARG A 71 21.910 -0.287 -8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.318 2.163 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.568 1.406 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.596 2.132 -9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 71 21.042 2.459 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.979 4.360 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 71 23.597 3.983 -7.942 1.00 0.00 H new ATOM 0 HE ARG A 71 21.523 5.389 -9.419 1.00 0.00 H new ATOM 0 HH11 ARG A 71 24.551 3.572 -9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.770 4.015 -11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 71 21.721 5.781 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 71 23.170 5.263 -12.481 1.00 0.00 H new ATOM 1322 N PRO A 72 23.331 -1.179 -6.109 1.00 0.00 N ATOM 1323 CA PRO A 72 23.842 -1.968 -4.993 1.00 0.00 C ATOM 1324 C PRO A 72 24.350 -1.074 -3.854 1.00 0.00 C ATOM 1325 O PRO A 72 24.378 -1.495 -2.698 1.00 0.00 O ATOM 1326 CB PRO A 72 24.965 -2.821 -5.601 1.00 0.00 C ATOM 1327 CG PRO A 72 25.456 -2.014 -6.797 1.00 0.00 C ATOM 1328 CD PRO A 72 24.191 -1.311 -7.275 1.00 0.00 C ATOM 0 HA PRO A 72 23.068 -2.586 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 72 25.766 -2.992 -4.882 1.00 0.00 H new ATOM 0 HB3 PRO A 72 24.597 -3.800 -5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 72 26.231 -1.302 -6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.879 -2.655 -7.571 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.425 -0.334 -7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.698 -1.887 -8.058 1.00 0.00 H new ATOM 1336 N GLU A 73 24.738 0.160 -4.172 1.00 0.00 N ATOM 1337 CA GLU A 73 25.258 1.182 -3.269 1.00 0.00 C ATOM 1338 C GLU A 73 24.139 1.953 -2.553 1.00 0.00 C ATOM 1339 O GLU A 73 24.423 2.805 -1.711 1.00 0.00 O ATOM 1340 CB GLU A 73 26.060 2.178 -4.126 1.00 0.00 C ATOM 1341 CG GLU A 73 27.307 1.550 -4.775 1.00 0.00 C ATOM 1342 CD GLU A 73 27.979 2.465 -5.806 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.272 3.275 -6.449 1.00 0.00 O ATOM 1344 OE2 GLU A 73 29.192 2.293 -6.048 1.00 0.00 O ATOM 0 H GLU A 73 24.694 0.494 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 73 25.866 0.698 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.414 2.578 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 73 26.366 3.019 -3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 73 28.027 1.301 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.025 0.615 -5.259 1.00 0.00 H new ATOM 1351 N ASP A 74 22.874 1.717 -2.898 1.00 0.00 N ATOM 1352 CA ASP A 74 21.717 2.403 -2.321 1.00 0.00 C ATOM 1353 C ASP A 74 21.144 1.649 -1.132 1.00 0.00 C ATOM 1354 O ASP A 74 21.410 0.452 -0.964 1.00 0.00 O ATOM 1355 CB ASP A 74 20.628 2.570 -3.384 1.00 0.00 C ATOM 1356 CG ASP A 74 21.007 3.536 -4.505 1.00 0.00 C ATOM 1357 OD1 ASP A 74 21.953 4.347 -4.358 1.00 0.00 O ATOM 1358 OD2 ASP A 74 20.313 3.476 -5.544 1.00 0.00 O ATOM 0 H ASP A 74 22.618 1.027 -3.604 1.00 0.00 H new ATOM 0 HA ASP A 74 22.056 3.378 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.403 1.595 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.716 2.924 -2.904 1.00 0.00 H new ATOM 1363 N ALA A 75 20.429 2.357 -0.260 1.00 0.00 N ATOM 1364 CA ALA A 75 19.780 1.799 0.917 1.00 0.00 C ATOM 1365 C ALA A 75 18.266 1.840 0.694 1.00 0.00 C ATOM 1366 O ALA A 75 17.794 2.356 -0.321 1.00 0.00 O ATOM 1367 CB ALA A 75 20.210 2.557 2.171 1.00 0.00 C ATOM 0 H ALA A 75 20.283 3.362 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 75 20.079 0.762 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.716 2.128 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.291 2.479 2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.931 3.606 2.076 1.00 0.00 H new ATOM 1373 N LEU A 76 17.493 1.236 1.598 1.00 0.00 N ATOM 1374 CA LEU A 76 16.044 1.221 1.482 1.00 0.00 C ATOM 1375 C LEU A 76 15.446 1.068 2.875 1.00 0.00 C ATOM 1376 O LEU A 76 16.031 0.399 3.736 1.00 0.00 O ATOM 1377 CB LEU A 76 15.629 0.062 0.549 1.00 0.00 C ATOM 1378 CG LEU A 76 14.289 0.245 -0.194 1.00 0.00 C ATOM 1379 CD1 LEU A 76 14.328 1.414 -1.185 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.978 -1.044 -0.961 1.00 0.00 C ATOM 0 H LEU A 76 17.853 0.751 2.420 1.00 0.00 H new ATOM 0 HA LEU A 76 15.673 2.151 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.416 -0.083 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.574 -0.853 1.139 1.00 0.00 H new ATOM 0 HG LEU A 76 13.520 0.465 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 76 13.362 1.502 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.545 2.338 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.104 1.235 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.033 -0.932 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.776 -1.243 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.904 -1.876 -0.260 1.00 0.00 H new ATOM 1392 N PHE A 77 14.276 1.659 3.084 1.00 0.00 N ATOM 1393 CA PHE A 77 13.509 1.637 4.319 1.00 0.00 C ATOM 1394 C PHE A 77 12.039 1.454 3.943 1.00 0.00 C ATOM 1395 O PHE A 77 11.610 1.884 2.866 1.00 0.00 O ATOM 1396 CB PHE A 77 13.718 2.918 5.133 1.00 0.00 C ATOM 1397 CG PHE A 77 15.111 3.120 5.698 1.00 0.00 C ATOM 1398 CD1 PHE A 77 16.100 3.754 4.927 1.00 0.00 C ATOM 1399 CD2 PHE A 77 15.414 2.698 7.006 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.386 3.961 5.455 1.00 0.00 C ATOM 1401 CE2 PHE A 77 16.697 2.912 7.539 1.00 0.00 C ATOM 1402 CZ PHE A 77 17.683 3.548 6.766 1.00 0.00 C ATOM 0 H PHE A 77 13.812 2.197 2.352 1.00 0.00 H new ATOM 0 HA PHE A 77 13.844 0.816 4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.475 3.772 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.007 2.921 5.959 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.871 4.084 3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 77 14.658 2.208 7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.146 4.437 4.854 1.00 0.00 H new ATOM 0 HE2 PHE A 77 16.925 2.587 8.543 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.667 3.719 7.178 1.00 0.00 H new ATOM 1412 N PHE A 78 11.277 0.826 4.835 1.00 0.00 N ATOM 1413 CA PHE A 78 9.863 0.524 4.683 1.00 0.00 C ATOM 1414 C PHE A 78 9.130 0.852 5.981 1.00 0.00 C ATOM 1415 O PHE A 78 9.645 0.534 7.060 1.00 0.00 O ATOM 1416 CB PHE A 78 9.761 -0.972 4.362 1.00 0.00 C ATOM 1417 CG PHE A 78 8.480 -1.408 3.695 1.00 0.00 C ATOM 1418 CD1 PHE A 78 8.075 -0.794 2.496 1.00 0.00 C ATOM 1419 CD2 PHE A 78 7.721 -2.461 4.240 1.00 0.00 C ATOM 1420 CE1 PHE A 78 6.905 -1.222 1.855 1.00 0.00 C ATOM 1421 CE2 PHE A 78 6.556 -2.897 3.591 1.00 0.00 C ATOM 1422 CZ PHE A 78 6.149 -2.270 2.402 1.00 0.00 C ATOM 0 H PHE A 78 11.651 0.499 5.726 1.00 0.00 H new ATOM 0 HA PHE A 78 9.409 1.114 3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 78 10.597 -1.245 3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.877 -1.533 5.289 1.00 0.00 H new ATOM 0 HD1 PHE A 78 8.664 0.005 2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.036 -2.934 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.585 -0.745 0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.976 -3.709 4.003 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.248 -2.597 1.905 1.00 0.00 H new ATOM 1432 N PHE A 79 7.943 1.451 5.870 1.00 0.00 N ATOM 1433 CA PHE A 79 7.108 1.851 6.994 1.00 0.00 C ATOM 1434 C PHE A 79 5.654 1.531 6.663 1.00 0.00 C ATOM 1435 O PHE A 79 5.219 1.684 5.518 1.00 0.00 O ATOM 1436 CB PHE A 79 7.260 3.360 7.258 1.00 0.00 C ATOM 1437 CG PHE A 79 8.690 3.840 7.403 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.468 4.068 6.254 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.256 4.028 8.676 1.00 0.00 C ATOM 1440 CE1 PHE A 79 10.823 4.404 6.375 1.00 0.00 C ATOM 1441 CE2 PHE A 79 10.611 4.383 8.796 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.404 4.541 7.647 1.00 0.00 C ATOM 0 H PHE A 79 7.527 1.676 4.966 1.00 0.00 H new ATOM 0 HA PHE A 79 7.416 1.309 7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.789 3.907 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 79 6.713 3.612 8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.020 3.984 5.275 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.650 3.900 9.561 1.00 0.00 H new ATOM 0 HE1 PHE A 79 11.422 4.558 5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.043 4.535 9.774 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.456 4.767 7.741 1.00 0.00 H new ATOM 1452 N VAL A 80 4.909 1.049 7.648 1.00 0.00 N ATOM 1453 CA VAL A 80 3.499 0.706 7.536 1.00 0.00 C ATOM 1454 C VAL A 80 2.885 1.092 8.875 1.00 0.00 C ATOM 1455 O VAL A 80 3.445 0.730 9.908 1.00 0.00 O ATOM 1456 CB VAL A 80 3.343 -0.773 7.138 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.150 -1.764 7.986 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.872 -1.188 7.125 1.00 0.00 C ATOM 0 H VAL A 80 5.284 0.880 8.581 1.00 0.00 H new ATOM 0 HA VAL A 80 2.973 1.240 6.745 1.00 0.00 H new ATOM 0 HB VAL A 80 3.762 -0.827 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.973 -2.778 7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.212 -1.531 7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.840 -1.688 9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.792 -2.237 6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.446 -1.048 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.327 -0.575 6.407 1.00 0.00 H new ATOM 1468 N ASN A 81 1.754 1.808 8.873 1.00 0.00 N ATOM 1469 CA ASN A 81 1.065 2.288 10.080 1.00 0.00 C ATOM 1470 C ASN A 81 2.080 2.842 11.099 1.00 0.00 C ATOM 1471 O ASN A 81 2.140 2.466 12.273 1.00 0.00 O ATOM 1472 CB ASN A 81 0.064 1.270 10.654 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.933 1.979 11.576 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.587 2.573 12.590 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -2.208 2.029 11.244 1.00 0.00 N ATOM 0 H ASN A 81 1.280 2.077 8.011 1.00 0.00 H new ATOM 0 HA ASN A 81 0.429 3.126 9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.468 0.773 9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.596 0.496 11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.866 2.549 11.824 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.536 1.548 10.407 1.00 0.00 H new ATOM 1482 N ASN A 82 2.949 3.733 10.611 1.00 0.00 N ATOM 1483 CA ASN A 82 4.018 4.418 11.338 1.00 0.00 C ATOM 1484 C ASN A 82 4.926 3.475 12.145 1.00 0.00 C ATOM 1485 O ASN A 82 5.608 3.912 13.072 1.00 0.00 O ATOM 1486 CB ASN A 82 3.404 5.575 12.152 1.00 0.00 C ATOM 1487 CG ASN A 82 2.996 6.727 11.247 1.00 0.00 C ATOM 1488 OD1 ASN A 82 1.817 7.025 11.085 1.00 0.00 O ATOM 1489 ND2 ASN A 82 3.948 7.394 10.626 1.00 0.00 N ATOM 0 H ASN A 82 2.920 4.012 9.630 1.00 0.00 H new ATOM 0 HA ASN A 82 4.715 4.847 10.618 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.534 5.215 12.702 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.125 5.927 12.890 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.708 8.166 10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.925 7.138 10.767 1.00 0.00 H new ATOM 1496 N THR A 83 4.955 2.189 11.791 1.00 0.00 N ATOM 1497 CA THR A 83 5.714 1.114 12.407 1.00 0.00 C ATOM 1498 C THR A 83 6.736 0.565 11.406 1.00 0.00 C ATOM 1499 O THR A 83 6.535 0.616 10.189 1.00 0.00 O ATOM 1500 CB THR A 83 4.725 0.001 12.832 1.00 0.00 C ATOM 1501 OG1 THR A 83 3.656 0.516 13.600 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.368 -1.100 13.685 1.00 0.00 C ATOM 0 H THR A 83 4.402 1.852 11.003 1.00 0.00 H new ATOM 0 HA THR A 83 6.252 1.481 13.281 1.00 0.00 H new ATOM 0 HB THR A 83 4.379 -0.418 11.887 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.107 1.106 13.042 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.616 -1.845 13.945 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.170 -1.576 13.121 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.776 -0.663 14.596 1.00 0.00 H new ATOM 1510 N ILE A 84 7.829 0.002 11.928 1.00 0.00 N ATOM 1511 CA ILE A 84 8.910 -0.611 11.165 1.00 0.00 C ATOM 1512 C ILE A 84 8.877 -2.099 11.563 1.00 0.00 C ATOM 1513 O ILE A 84 9.627 -2.504 12.456 1.00 0.00 O ATOM 1514 CB ILE A 84 10.263 0.090 11.461 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.160 1.629 11.363 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.311 -0.453 10.478 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.483 2.369 11.611 1.00 0.00 C ATOM 0 H ILE A 84 7.988 -0.039 12.935 1.00 0.00 H new ATOM 0 HA ILE A 84 8.789 -0.507 10.087 1.00 0.00 H new ATOM 0 HB ILE A 84 10.557 -0.129 12.488 1.00 0.00 H new ATOM 0 HG12 ILE A 84 9.789 1.894 10.373 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.421 1.978 12.084 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.271 0.027 10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.411 -1.530 10.611 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.996 -0.241 9.456 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.321 3.443 11.523 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.847 2.138 12.612 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.221 2.052 10.874 1.00 0.00 H new ATOM 1529 N PRO A 85 7.978 -2.930 11.003 1.00 0.00 N ATOM 1530 CA PRO A 85 7.894 -4.342 11.368 1.00 0.00 C ATOM 1531 C PRO A 85 9.055 -5.166 10.794 1.00 0.00 C ATOM 1532 O PRO A 85 9.716 -4.720 9.847 1.00 0.00 O ATOM 1533 CB PRO A 85 6.551 -4.808 10.806 1.00 0.00 C ATOM 1534 CG PRO A 85 6.388 -3.957 9.552 1.00 0.00 C ATOM 1535 CD PRO A 85 7.017 -2.621 9.953 1.00 0.00 C ATOM 0 HA PRO A 85 7.964 -4.478 12.447 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.559 -5.873 10.573 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.739 -4.643 11.514 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.896 -4.400 8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.340 -3.842 9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.507 -2.149 9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.259 -1.924 10.310 1.00 0.00 H new ATOM 1543 N PRO A 86 9.322 -6.371 11.330 1.00 0.00 N ATOM 1544 CA PRO A 86 10.393 -7.232 10.842 1.00 0.00 C ATOM 1545 C PRO A 86 10.048 -7.747 9.445 1.00 0.00 C ATOM 1546 O PRO A 86 8.883 -8.016 9.148 1.00 0.00 O ATOM 1547 CB PRO A 86 10.469 -8.394 11.839 1.00 0.00 C ATOM 1548 CG PRO A 86 9.066 -8.458 12.437 1.00 0.00 C ATOM 1549 CD PRO A 86 8.621 -7.000 12.442 1.00 0.00 C ATOM 0 HA PRO A 86 11.344 -6.705 10.768 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.735 -9.328 11.344 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.222 -8.214 12.606 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.401 -9.080 11.837 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.076 -8.879 13.442 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.541 -6.920 12.320 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.872 -6.517 13.387 1.00 0.00 H new ATOM 1557 N THR A 87 11.062 -8.000 8.615 1.00 0.00 N ATOM 1558 CA THR A 87 10.854 -8.496 7.257 1.00 0.00 C ATOM 1559 C THR A 87 10.144 -9.863 7.203 1.00 0.00 C ATOM 1560 O THR A 87 9.718 -10.263 6.117 1.00 0.00 O ATOM 1561 CB THR A 87 12.173 -8.489 6.465 1.00 0.00 C ATOM 1562 OG1 THR A 87 11.989 -8.926 5.134 1.00 0.00 O ATOM 1563 CG2 THR A 87 13.268 -9.348 7.104 1.00 0.00 C ATOM 0 H THR A 87 12.042 -7.868 8.864 1.00 0.00 H new ATOM 0 HA THR A 87 10.166 -7.803 6.772 1.00 0.00 H new ATOM 0 HB THR A 87 12.497 -7.448 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.218 -9.529 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.171 -9.299 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.485 -8.976 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.929 -10.382 7.167 1.00 0.00 H new ATOM 1571 N SER A 88 10.060 -10.594 8.320 1.00 0.00 N ATOM 1572 CA SER A 88 9.410 -11.894 8.388 1.00 0.00 C ATOM 1573 C SER A 88 7.898 -11.786 8.647 1.00 0.00 C ATOM 1574 O SER A 88 7.184 -12.780 8.456 1.00 0.00 O ATOM 1575 CB SER A 88 10.120 -12.731 9.456 1.00 0.00 C ATOM 1576 OG SER A 88 9.702 -14.082 9.442 1.00 0.00 O ATOM 0 H SER A 88 10.450 -10.289 9.212 1.00 0.00 H new ATOM 0 HA SER A 88 9.496 -12.387 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.197 -12.684 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.926 -12.303 10.439 1.00 0.00 H new ATOM 0 HG SER A 88 8.764 -14.131 9.162 1.00 0.00 H new ATOM 1582 N ALA A 89 7.391 -10.616 9.057 1.00 0.00 N ATOM 1583 CA ALA A 89 5.965 -10.442 9.310 1.00 0.00 C ATOM 1584 C ALA A 89 5.162 -10.655 8.017 1.00 0.00 C ATOM 1585 O ALA A 89 5.732 -10.724 6.919 1.00 0.00 O ATOM 1586 CB ALA A 89 5.718 -9.056 9.907 1.00 0.00 C ATOM 0 H ALA A 89 7.952 -9.779 9.219 1.00 0.00 H new ATOM 0 HA ALA A 89 5.627 -11.189 10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.652 -8.926 10.096 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.267 -8.960 10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.058 -8.293 9.207 1.00 0.00 H new ATOM 1592 N THR A 90 3.837 -10.738 8.126 1.00 0.00 N ATOM 1593 CA THR A 90 2.952 -10.951 6.989 1.00 0.00 C ATOM 1594 C THR A 90 1.985 -9.790 6.809 1.00 0.00 C ATOM 1595 O THR A 90 1.779 -8.967 7.711 1.00 0.00 O ATOM 1596 CB THR A 90 2.171 -12.266 7.177 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.358 -12.199 8.335 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.098 -13.473 7.288 1.00 0.00 C ATOM 0 H THR A 90 3.346 -10.658 9.016 1.00 0.00 H new ATOM 0 HA THR A 90 3.565 -11.015 6.090 1.00 0.00 H new ATOM 0 HB THR A 90 1.548 -12.392 6.291 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.867 -13.041 8.439 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.504 -14.377 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.694 -13.559 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.760 -13.346 8.145 1.00 0.00 H new ATOM 1606 N MET A 91 1.374 -9.748 5.626 1.00 0.00 N ATOM 1607 CA MET A 91 0.386 -8.743 5.275 1.00 0.00 C ATOM 1608 C MET A 91 -0.851 -8.943 6.146 1.00 0.00 C ATOM 1609 O MET A 91 -1.510 -7.976 6.514 1.00 0.00 O ATOM 1610 CB MET A 91 0.025 -8.874 3.787 1.00 0.00 C ATOM 1611 CG MET A 91 1.229 -8.584 2.884 1.00 0.00 C ATOM 1612 SD MET A 91 2.126 -7.067 3.285 1.00 0.00 S ATOM 1613 CE MET A 91 0.787 -5.856 3.167 1.00 0.00 C ATOM 0 H MET A 91 1.557 -10.420 4.881 1.00 0.00 H new ATOM 0 HA MET A 91 0.788 -7.744 5.446 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.344 -9.880 3.589 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.784 -8.185 3.547 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.920 -9.425 2.942 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.885 -8.525 1.851 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.207 -4.865 2.996 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.130 -6.119 2.338 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.216 -5.853 4.096 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.141 -10.194 6.507 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.267 -10.556 7.330 1.00 0.00 C ATOM 1625 C GLY A 92 -2.109 -9.995 8.734 1.00 0.00 C ATOM 1626 O GLY A 92 -3.046 -9.361 9.207 1.00 0.00 O ATOM 0 H GLY A 92 -0.577 -10.995 6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.187 -10.178 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.357 -11.641 7.375 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.947 -10.166 9.375 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.720 -9.676 10.730 1.00 0.00 C ATOM 1632 C GLN A 93 -0.852 -8.157 10.822 1.00 0.00 C ATOM 1633 O GLN A 93 -1.588 -7.664 11.673 1.00 0.00 O ATOM 1634 CB GLN A 93 0.651 -10.150 11.242 1.00 0.00 C ATOM 1635 CG GLN A 93 0.818 -9.994 12.766 1.00 0.00 C ATOM 1636 CD GLN A 93 -0.188 -10.800 13.593 1.00 0.00 C ATOM 1637 OE1 GLN A 93 -0.885 -10.274 14.459 1.00 0.00 O ATOM 1638 NE2 GLN A 93 -0.290 -12.096 13.359 1.00 0.00 N ATOM 0 H GLN A 93 -0.145 -10.646 8.968 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.496 -10.095 11.371 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.790 -11.197 10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.435 -9.585 10.738 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.827 -10.300 13.043 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.722 -8.940 13.025 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.288 -12.532 12.641 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.947 -12.661 13.897 1.00 0.00 H new ATOM 1647 N LEU A 94 -0.168 -7.398 9.957 1.00 0.00 N ATOM 1648 CA LEU A 94 -0.258 -5.939 10.019 1.00 0.00 C ATOM 1649 C LEU A 94 -1.683 -5.471 9.743 1.00 0.00 C ATOM 1650 O LEU A 94 -2.136 -4.535 10.393 1.00 0.00 O ATOM 1651 CB LEU A 94 0.792 -5.252 9.126 1.00 0.00 C ATOM 1652 CG LEU A 94 0.658 -5.511 7.614 1.00 0.00 C ATOM 1653 CD1 LEU A 94 -0.240 -4.483 6.920 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.027 -5.482 6.929 1.00 0.00 C ATOM 0 H LEU A 94 0.440 -7.761 9.223 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.016 -5.630 11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.740 -4.177 9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.782 -5.578 9.445 1.00 0.00 H new ATOM 0 HG LEU A 94 0.204 -6.498 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.300 -4.712 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.238 -4.519 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.179 -3.485 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.904 -5.668 5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.487 -4.505 7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.666 -6.253 7.360 1.00 0.00 H new ATOM 1666 N TYR A 95 -2.373 -6.058 8.760 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.746 -5.689 8.432 1.00 0.00 C ATOM 1668 C TYR A 95 -4.674 -6.024 9.612 1.00 0.00 C ATOM 1669 O TYR A 95 -5.636 -5.304 9.855 1.00 0.00 O ATOM 1670 CB TYR A 95 -4.150 -6.384 7.123 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.614 -6.346 6.710 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -6.411 -5.199 6.899 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -6.177 -7.488 6.109 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.769 -5.207 6.533 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.535 -7.511 5.753 1.00 0.00 C ATOM 1676 CZ TYR A 95 -8.340 -6.375 5.983 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.667 -6.419 5.693 1.00 0.00 O ATOM 0 H TYR A 95 -1.993 -6.800 8.173 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.833 -4.615 8.269 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.565 -5.941 6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.852 -7.430 7.196 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.976 -4.308 7.328 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.559 -8.353 5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.373 -4.323 6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.962 -8.396 5.304 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.892 -7.297 5.321 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.407 -7.128 10.321 1.00 0.00 N ATOM 1688 CA GLU A 96 -5.174 -7.615 11.465 1.00 0.00 C ATOM 1689 C GLU A 96 -5.022 -6.687 12.670 1.00 0.00 C ATOM 1690 O GLU A 96 -6.020 -6.356 13.305 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.704 -9.042 11.830 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.551 -9.732 12.903 1.00 0.00 C ATOM 1693 CD GLU A 96 -4.844 -10.939 13.528 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -4.348 -11.835 12.807 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -4.777 -10.975 14.783 1.00 0.00 O ATOM 0 H GLU A 96 -3.614 -7.730 10.100 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.229 -7.635 11.191 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.711 -9.655 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.671 -8.994 12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.795 -9.013 13.686 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.494 -10.056 12.463 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.806 -6.242 12.988 1.00 0.00 N ATOM 1703 CA ASP A 97 -3.565 -5.376 14.144 1.00 0.00 C ATOM 1704 C ASP A 97 -3.816 -3.889 13.886 1.00 0.00 C ATOM 1705 O ASP A 97 -4.196 -3.148 14.789 1.00 0.00 O ATOM 1706 CB ASP A 97 -2.133 -5.566 14.640 1.00 0.00 C ATOM 1707 CG ASP A 97 -1.984 -4.904 16.006 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -2.729 -5.294 16.934 1.00 0.00 O ATOM 1709 OD2 ASP A 97 -1.113 -4.019 16.153 1.00 0.00 O ATOM 0 H ASP A 97 -2.966 -6.469 12.456 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.290 -5.681 14.898 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.897 -6.628 14.709 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.429 -5.129 13.932 1.00 0.00 H new ATOM 1714 N ASN A 98 -3.672 -3.439 12.641 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.870 -2.038 12.248 1.00 0.00 C ATOM 1716 C ASN A 98 -5.248 -1.778 11.631 1.00 0.00 C ATOM 1717 O ASN A 98 -5.477 -0.675 11.138 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.719 -1.528 11.383 1.00 0.00 C ATOM 1719 CG ASN A 98 -1.404 -1.566 12.141 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -1.174 -0.773 13.051 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -0.538 -2.494 11.783 1.00 0.00 N ATOM 0 H ASN A 98 -3.411 -4.044 11.862 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.856 -1.449 13.165 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.640 -2.137 10.482 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.927 -0.508 11.061 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.357 -2.570 12.267 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.763 -3.135 11.023 1.00 0.00 H new ATOM 1728 N HIS A 99 -6.088 -2.819 11.578 1.00 0.00 N ATOM 1729 CA HIS A 99 -7.450 -2.939 11.063 1.00 0.00 C ATOM 1730 C HIS A 99 -8.303 -1.661 11.088 1.00 0.00 C ATOM 1731 O HIS A 99 -9.225 -1.517 11.896 1.00 0.00 O ATOM 1732 CB HIS A 99 -8.162 -4.121 11.757 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.427 -3.969 13.241 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -9.661 -3.817 13.840 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -7.487 -3.918 14.230 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -9.462 -3.692 15.162 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -8.156 -3.796 15.453 1.00 0.00 N ATOM 0 H HIS A 99 -5.780 -3.718 11.948 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.341 -3.133 9.996 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.115 -4.288 11.255 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.561 -5.018 11.607 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.417 -3.964 14.093 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.244 -3.530 15.889 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.734 -3.788 16.382 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.063 -0.767 10.132 1.00 0.00 N ATOM 1746 CA GLU A 100 -8.827 0.465 10.045 1.00 0.00 C ATOM 1747 C GLU A 100 -10.279 0.124 9.708 1.00 0.00 C ATOM 1748 O GLU A 100 -10.615 -0.962 9.219 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.216 1.454 9.032 1.00 0.00 C ATOM 1750 CG GLU A 100 -7.515 2.632 9.729 1.00 0.00 C ATOM 1751 CD GLU A 100 -8.434 3.564 10.544 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -9.679 3.416 10.512 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -7.879 4.478 11.206 1.00 0.00 O ATOM 0 H GLU A 100 -7.348 -0.876 9.412 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.795 0.972 11.009 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.500 0.929 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.001 1.834 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.749 2.234 10.394 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.003 3.226 8.972 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.140 1.111 9.907 1.00 0.00 N ATOM 1761 CA GLU A 101 -12.566 1.018 9.679 1.00 0.00 C ATOM 1762 C GLU A 101 -12.859 1.036 8.182 1.00 0.00 C ATOM 1763 O GLU A 101 -13.870 0.495 7.724 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.181 2.273 10.307 1.00 0.00 C ATOM 1765 CG GLU A 101 -14.666 2.112 10.618 1.00 0.00 C ATOM 1766 CD GLU A 101 -14.838 1.627 12.050 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -14.761 2.448 12.985 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -15.016 0.405 12.264 1.00 0.00 O ATOM 0 H GLU A 101 -10.850 2.029 10.244 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.969 0.099 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.646 2.513 11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.046 3.116 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.182 3.062 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.118 1.401 9.926 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.971 1.678 7.425 1.00 0.00 N ATOM 1776 CA ASP A 102 -12.049 1.815 5.984 1.00 0.00 C ATOM 1777 C ASP A 102 -11.445 0.621 5.246 1.00 0.00 C ATOM 1778 O ASP A 102 -11.555 0.545 4.025 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.463 3.156 5.533 1.00 0.00 C ATOM 1780 CG ASP A 102 -9.950 3.307 5.720 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -9.211 2.297 5.756 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -9.500 4.465 5.853 1.00 0.00 O ATOM 0 H ASP A 102 -11.148 2.132 7.821 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.104 1.815 5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.698 3.300 4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.962 3.955 6.082 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.872 -0.345 5.971 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.266 -1.566 5.457 1.00 0.00 C ATOM 1789 C TYR A 103 -9.062 -1.362 4.519 1.00 0.00 C ATOM 1790 O TYR A 103 -8.636 -2.335 3.889 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.367 -2.448 4.837 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.520 -2.756 5.777 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.369 -3.752 6.759 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.748 -2.076 5.654 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.433 -4.063 7.622 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.824 -2.404 6.498 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.666 -3.391 7.495 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.726 -3.736 8.272 1.00 0.00 O ATOM 0 H TYR A 103 -10.818 -0.288 6.988 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.816 -2.080 6.307 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.759 -1.951 3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.922 -3.386 4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.431 -4.280 6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.863 -1.301 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.306 -4.818 8.384 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.772 -1.900 6.383 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.493 -3.168 8.050 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.519 -0.149 4.398 1.00 0.00 N ATOM 1809 CA PHE A 104 -7.363 0.172 3.563 1.00 0.00 C ATOM 1810 C PHE A 104 -6.132 0.248 4.467 1.00 0.00 C ATOM 1811 O PHE A 104 -6.260 0.535 5.656 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.585 1.515 2.843 1.00 0.00 C ATOM 1813 CG PHE A 104 -8.045 1.410 1.402 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -9.379 1.087 1.090 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -7.130 1.662 0.365 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -9.790 1.019 -0.254 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -7.540 1.605 -0.976 1.00 0.00 C ATOM 1818 CZ PHE A 104 -8.870 1.279 -1.287 1.00 0.00 C ATOM 0 H PHE A 104 -8.885 0.663 4.896 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.221 -0.596 2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.323 2.090 3.402 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.654 2.081 2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -10.087 0.891 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.104 1.901 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -10.813 0.767 -0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.834 1.811 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.187 1.228 -2.318 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.937 -0.009 3.923 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.677 0.043 4.673 1.00 0.00 C ATOM 1830 C LEU A 105 -2.733 0.993 3.923 1.00 0.00 C ATOM 1831 O LEU A 105 -2.565 0.871 2.705 1.00 0.00 O ATOM 1832 CB LEU A 105 -3.127 -1.393 4.862 1.00 0.00 C ATOM 1833 CG LEU A 105 -3.156 -1.968 6.294 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -2.093 -1.295 7.168 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -4.529 -1.888 6.966 1.00 0.00 C ATOM 0 H LEU A 105 -4.816 -0.261 2.942 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.805 0.437 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.696 -2.062 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.096 -1.410 4.510 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.930 -3.030 6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.130 -1.714 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.106 -1.468 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.286 -0.223 7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.469 -2.311 7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.842 -0.846 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.255 -2.450 6.378 1.00 0.00 H new ATOM 1847 N TYR A 106 -2.145 1.972 4.615 1.00 0.00 N ATOM 1848 CA TYR A 106 -1.227 2.944 4.019 1.00 0.00 C ATOM 1849 C TYR A 106 0.212 2.480 4.252 1.00 0.00 C ATOM 1850 O TYR A 106 0.547 2.022 5.347 1.00 0.00 O ATOM 1851 CB TYR A 106 -1.505 4.357 4.546 1.00 0.00 C ATOM 1852 CG TYR A 106 -1.124 4.635 5.990 1.00 0.00 C ATOM 1853 CD1 TYR A 106 -1.922 4.149 7.044 1.00 0.00 C ATOM 1854 CD2 TYR A 106 -0.026 5.471 6.279 1.00 0.00 C ATOM 1855 CE1 TYR A 106 -1.609 4.468 8.375 1.00 0.00 C ATOM 1856 CE2 TYR A 106 0.291 5.796 7.611 1.00 0.00 C ATOM 1857 CZ TYR A 106 -0.502 5.295 8.669 1.00 0.00 C ATOM 1858 OH TYR A 106 -0.209 5.566 9.971 1.00 0.00 O ATOM 0 H TYR A 106 -2.295 2.113 5.614 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.385 2.999 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.974 5.067 3.912 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.570 4.560 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.779 3.528 6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.576 5.864 5.473 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -2.218 4.079 9.178 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.140 6.428 7.825 1.00 0.00 H new ATOM 0 HH TYR A 106 0.598 6.120 10.016 1.00 0.00 H new ATOM 1868 N VAL A 107 1.068 2.568 3.227 1.00 0.00 N ATOM 1869 CA VAL A 107 2.461 2.136 3.296 1.00 0.00 C ATOM 1870 C VAL A 107 3.386 3.154 2.633 1.00 0.00 C ATOM 1871 O VAL A 107 3.121 3.634 1.517 1.00 0.00 O ATOM 1872 CB VAL A 107 2.553 0.751 2.631 1.00 0.00 C ATOM 1873 CG1 VAL A 107 3.973 0.209 2.484 1.00 0.00 C ATOM 1874 CG2 VAL A 107 1.794 -0.298 3.444 1.00 0.00 C ATOM 0 H VAL A 107 0.805 2.947 2.317 1.00 0.00 H new ATOM 0 HA VAL A 107 2.789 2.065 4.333 1.00 0.00 H new ATOM 0 HB VAL A 107 2.127 0.912 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.941 -0.770 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.562 0.892 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.431 0.117 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.875 -1.268 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.221 -0.362 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.744 -0.014 3.515 1.00 0.00 H new ATOM 1884 N ALA A 108 4.540 3.410 3.254 1.00 0.00 N ATOM 1885 CA ALA A 108 5.541 4.343 2.762 1.00 0.00 C ATOM 1886 C ALA A 108 6.914 3.674 2.621 1.00 0.00 C ATOM 1887 O ALA A 108 7.211 2.687 3.295 1.00 0.00 O ATOM 1888 CB ALA A 108 5.561 5.594 3.640 1.00 0.00 C ATOM 0 H ALA A 108 4.804 2.962 4.131 1.00 0.00 H new ATOM 0 HA ALA A 108 5.271 4.661 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.313 6.289 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.581 6.071 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.803 5.315 4.666 1.00 0.00 H new ATOM 1894 N TYR A 109 7.735 4.182 1.698 1.00 0.00 N ATOM 1895 CA TYR A 109 9.089 3.704 1.407 1.00 0.00 C ATOM 1896 C TYR A 109 10.042 4.890 1.293 1.00 0.00 C ATOM 1897 O TYR A 109 9.583 5.991 0.974 1.00 0.00 O ATOM 1898 CB TYR A 109 9.117 2.843 0.141 1.00 0.00 C ATOM 1899 CG TYR A 109 8.949 3.596 -1.173 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.661 3.909 -1.642 1.00 0.00 C ATOM 1901 CD2 TYR A 109 10.073 3.980 -1.933 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.487 4.608 -2.845 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.904 4.649 -3.162 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.606 4.988 -3.611 1.00 0.00 C ATOM 1905 OH TYR A 109 8.402 5.685 -4.764 1.00 0.00 O ATOM 0 H TYR A 109 7.463 4.969 1.109 1.00 0.00 H new ATOM 0 HA TYR A 109 9.418 3.070 2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.064 2.304 0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.327 2.096 0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.796 3.608 -1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.067 3.761 -1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.492 4.856 -3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.766 4.903 -3.761 1.00 0.00 H new ATOM 0 HH TYR A 109 8.895 6.531 -4.726 1.00 0.00 H new ATOM 1915 N SER A 110 11.327 4.680 1.583 1.00 0.00 N ATOM 1916 CA SER A 110 12.369 5.704 1.533 1.00 0.00 C ATOM 1917 C SER A 110 13.735 5.085 1.213 1.00 0.00 C ATOM 1918 O SER A 110 13.886 3.871 1.346 1.00 0.00 O ATOM 1919 CB SER A 110 12.518 6.354 2.911 1.00 0.00 C ATOM 1920 OG SER A 110 11.351 6.401 3.709 1.00 0.00 O ATOM 0 H SER A 110 11.680 3.766 1.867 1.00 0.00 H new ATOM 0 HA SER A 110 12.078 6.422 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.289 5.815 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.879 7.373 2.772 1.00 0.00 H new ATOM 0 HG SER A 110 11.557 6.833 4.564 1.00 0.00 H new ATOM 1926 N ASP A 111 14.706 5.893 0.773 1.00 0.00 N ATOM 1927 CA ASP A 111 16.076 5.430 0.487 1.00 0.00 C ATOM 1928 C ASP A 111 16.890 5.643 1.765 1.00 0.00 C ATOM 1929 O ASP A 111 17.588 4.744 2.225 1.00 0.00 O ATOM 1930 CB ASP A 111 16.722 6.213 -0.660 1.00 0.00 C ATOM 1931 CG ASP A 111 18.116 5.688 -1.033 1.00 0.00 C ATOM 1932 OD1 ASP A 111 19.090 5.949 -0.287 1.00 0.00 O ATOM 1933 OD2 ASP A 111 18.250 5.176 -2.166 1.00 0.00 O ATOM 0 H ASP A 111 14.568 6.889 0.604 1.00 0.00 H new ATOM 0 HA ASP A 111 16.050 4.384 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.075 6.164 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.798 7.263 -0.378 1.00 0.00 H new ATOM 1938 N GLU A 112 16.761 6.836 2.359 1.00 0.00 N ATOM 1939 CA GLU A 112 17.423 7.261 3.587 1.00 0.00 C ATOM 1940 C GLU A 112 16.370 7.411 4.695 1.00 0.00 C ATOM 1941 O GLU A 112 15.173 7.557 4.409 1.00 0.00 O ATOM 1942 CB GLU A 112 18.253 8.541 3.372 1.00 0.00 C ATOM 1943 CG GLU A 112 17.455 9.728 2.821 1.00 0.00 C ATOM 1944 CD GLU A 112 18.280 11.021 2.854 1.00 0.00 C ATOM 1945 OE1 GLU A 112 18.336 11.646 3.935 1.00 0.00 O ATOM 1946 OE2 GLU A 112 18.894 11.403 1.829 1.00 0.00 O ATOM 0 H GLU A 112 16.160 7.564 1.972 1.00 0.00 H new ATOM 0 HA GLU A 112 18.140 6.501 3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.704 8.831 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.070 8.319 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.147 9.517 1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.545 9.860 3.407 1.00 0.00 H new ATOM 1953 N SER A 113 16.784 7.341 5.964 1.00 0.00 N ATOM 1954 CA SER A 113 15.888 7.462 7.105 1.00 0.00 C ATOM 1955 C SER A 113 15.417 8.918 7.271 1.00 0.00 C ATOM 1956 O SER A 113 16.159 9.761 7.784 1.00 0.00 O ATOM 1957 CB SER A 113 16.522 6.854 8.363 1.00 0.00 C ATOM 1958 OG SER A 113 17.843 7.315 8.586 1.00 0.00 O ATOM 0 H SER A 113 17.760 7.197 6.224 1.00 0.00 H new ATOM 0 HA SER A 113 14.985 6.879 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.906 7.096 9.229 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.531 5.768 8.272 1.00 0.00 H new ATOM 0 HG SER A 113 17.887 8.279 8.413 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.642 -3.115 -7.246 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.670 -2.103 -7.643 1.00 0.00 C ATOM 2088 C GLU B 730 -12.397 -2.828 -8.105 1.00 0.00 C ATOM 2089 O GLU B 730 -12.163 -3.972 -7.693 1.00 0.00 O ATOM 2090 CB GLU B 730 -13.384 -1.177 -6.446 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.885 0.217 -6.856 1.00 0.00 C ATOM 2092 CD GLU B 730 -13.968 1.189 -7.343 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -14.854 0.813 -8.147 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -13.860 2.386 -6.983 1.00 0.00 O ATOM 0 HA GLU B 730 -14.049 -1.488 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -14.293 -1.069 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -12.639 -1.646 -5.803 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -12.375 0.666 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -12.144 0.101 -7.647 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.517 -2.171 -8.864 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.285 -2.769 -9.376 1.00 0.00 C ATOM 2103 C ASP B 731 -9.089 -1.875 -9.103 1.00 0.00 C ATOM 2104 O ASP B 731 -9.127 -0.665 -9.347 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.415 -3.110 -10.870 1.00 0.00 C ATOM 2106 CG ASP B 731 -11.088 -4.468 -11.027 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -10.461 -5.479 -10.626 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -12.271 -4.531 -11.428 1.00 0.00 O ATOM 0 H ASP B 731 -11.643 -1.198 -9.143 1.00 0.00 H new ATOM 0 HA ASP B 731 -10.117 -3.705 -8.844 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.998 -2.343 -11.379 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -9.430 -3.125 -11.337 1.00 0.00 H new ATOM 2113 N TYR B 732 -8.048 -2.500 -8.544 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.759 -1.928 -8.170 1.00 0.00 C ATOM 2115 C TYR B 732 -5.657 -2.802 -8.791 1.00 0.00 C ATOM 2116 O TYR B 732 -5.962 -3.779 -9.486 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.630 -1.843 -6.637 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.804 -1.242 -5.874 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -8.463 -0.081 -6.328 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -8.241 -1.856 -4.686 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -9.563 0.441 -5.620 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -9.340 -1.345 -3.977 1.00 0.00 C ATOM 2123 CZ TYR B 732 -10.020 -0.201 -4.448 1.00 0.00 C ATOM 2124 OH TYR B 732 -11.092 0.295 -3.764 1.00 0.00 O ATOM 0 H TYR B 732 -8.092 -3.495 -8.326 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.666 -0.909 -8.547 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.458 -2.850 -6.256 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.740 -1.258 -6.404 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -8.121 0.412 -7.226 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.726 -2.730 -4.315 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -10.058 1.333 -5.974 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -9.666 -1.829 -3.068 1.00 0.00 H new ATOM 0 HH TYR B 732 -11.271 -0.269 -2.983 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.383 -2.491 -8.538 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.265 -3.246 -9.101 1.00 0.00 C ATOM 2136 C ILE B 733 -2.970 -4.465 -8.216 1.00 0.00 C ATOM 2137 O ILE B 733 -2.465 -4.322 -7.102 1.00 0.00 O ATOM 2138 CB ILE B 733 -2.051 -2.300 -9.262 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.397 -0.997 -10.024 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -0.864 -2.997 -9.946 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -3.057 -1.173 -11.397 1.00 0.00 C ATOM 0 H ILE B 733 -4.101 -1.714 -7.941 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.510 -3.631 -10.091 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.764 -2.028 -8.246 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -3.060 -0.400 -9.399 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.480 -0.423 -10.155 1.00 0.00 H new ATOM 0 HG21 ILE B 733 -0.034 -2.296 -10.038 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.551 -3.853 -9.348 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -1.164 -3.337 -10.937 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -3.253 -0.194 -11.835 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -2.392 -1.737 -12.051 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -3.997 -1.713 -11.282 1.00 0.00 H new ATOM 2153 N ILE B 734 -3.301 -5.665 -8.692 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.067 -6.909 -7.960 1.00 0.00 C ATOM 2155 C ILE B 734 -1.568 -7.217 -8.079 1.00 0.00 C ATOM 2156 O ILE B 734 -0.981 -6.977 -9.137 1.00 0.00 O ATOM 2157 CB ILE B 734 -3.916 -8.040 -8.597 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.430 -7.735 -8.668 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -3.718 -9.405 -7.930 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.108 -7.374 -7.349 1.00 0.00 C ATOM 0 H ILE B 734 -3.742 -5.802 -9.602 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.352 -6.825 -6.911 1.00 0.00 H new ATOM 0 HB ILE B 734 -3.531 -8.085 -9.616 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -5.581 -6.913 -9.367 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -5.936 -8.606 -9.086 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -4.343 -10.147 -8.427 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -2.672 -9.700 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -3.999 -9.340 -6.879 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -7.166 -7.182 -7.525 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -6.001 -8.201 -6.647 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -5.641 -6.481 -6.932 1.00 0.00 H new ATOM 2172 N ILE B 735 -0.951 -7.730 -7.013 1.00 0.00 N ATOM 2173 CA ILE B 735 0.463 -8.094 -6.950 1.00 0.00 C ATOM 2174 C ILE B 735 0.552 -9.429 -6.203 1.00 0.00 C ATOM 2175 O ILE B 735 0.149 -9.500 -5.040 1.00 0.00 O ATOM 2176 CB ILE B 735 1.271 -6.976 -6.241 1.00 0.00 C ATOM 2177 CG1 ILE B 735 1.254 -5.625 -6.991 1.00 0.00 C ATOM 2178 CG2 ILE B 735 2.725 -7.392 -5.946 1.00 0.00 C ATOM 2179 CD1 ILE B 735 2.017 -5.589 -8.325 1.00 0.00 C ATOM 0 H ILE B 735 -1.442 -7.910 -6.137 1.00 0.00 H new ATOM 0 HA ILE B 735 0.892 -8.203 -7.946 1.00 0.00 H new ATOM 0 HB ILE B 735 0.752 -6.829 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE B 735 0.217 -5.349 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE B 735 1.672 -4.862 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE B 735 3.244 -6.572 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE B 735 2.728 -8.269 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE B 735 3.232 -7.629 -6.881 1.00 0.00 H new ATOM 0 HD11 ILE B 735 1.938 -4.594 -8.763 1.00 0.00 H new ATOM 0 HD12 ILE B 735 3.066 -5.826 -8.150 1.00 0.00 H new ATOM 0 HD13 ILE B 735 1.588 -6.321 -9.009 1.00 0.00 H new