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 81 ASN : amide:sc= -0.0955 K(o=-0.77,f=-2.4!) USER MOD Set 1.2: A 98 ASN : amide:sc= -0.671 X(o=-0.77,f=-1.2) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -112:sc= -0.462 (180deg=-1.04) USER MOD Set 2.2: A 109 TYR OH : rot 180:sc= 0.429 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0.891) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0186) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.2) USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= -0.0204 (180deg=-0.135) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0189) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc=-0.00118 (180deg=-0.0313) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.002 X(o=-0.002,f=-0.023) 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= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 77:sc= 0.453 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -37:sc= 0.113 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 156:sc= -0.0172 (180deg=-1.53) USER MOD Single : A 93 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc=-0.00119 X(o=-0.0012,f=-0.28) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 150:sc= -0.0149 USER MOD Single : A 110 SER OG : rot -139:sc= 1.18 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0752 USER MOD Single : B 732 TYR OH : rot 171:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 197 N HIS A 9 -10.514 12.678 4.391 1.00 0.00 N ATOM 198 CA HIS A 9 -11.724 13.459 4.614 1.00 0.00 C ATOM 199 C HIS A 9 -13.014 12.676 4.310 1.00 0.00 C ATOM 200 O HIS A 9 -13.858 12.614 5.203 1.00 0.00 O ATOM 201 CB HIS A 9 -11.639 14.780 3.835 1.00 0.00 C ATOM 202 CG HIS A 9 -10.631 15.726 4.438 1.00 0.00 C ATOM 203 ND1 HIS A 9 -9.266 15.549 4.483 1.00 0.00 N ATOM 204 CD2 HIS A 9 -10.930 16.827 5.189 1.00 0.00 C ATOM 205 CE1 HIS A 9 -8.761 16.483 5.300 1.00 0.00 C ATOM 206 NE2 HIS A 9 -9.731 17.315 5.728 1.00 0.00 N ATOM 0 HA HIS A 9 -11.783 13.688 5.678 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.369 14.574 2.799 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.619 15.256 3.820 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.914 17.247 5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.720 16.559 5.577 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.616 18.135 6.324 1.00 0.00 H new ATOM 214 N PRO A 10 -13.225 12.074 3.117 1.00 0.00 N ATOM 215 CA PRO A 10 -14.434 11.318 2.807 1.00 0.00 C ATOM 216 C PRO A 10 -14.427 9.972 3.542 1.00 0.00 C ATOM 217 O PRO A 10 -14.295 8.920 2.915 1.00 0.00 O ATOM 218 CB PRO A 10 -14.431 11.148 1.285 1.00 0.00 C ATOM 219 CG PRO A 10 -12.943 11.059 0.968 1.00 0.00 C ATOM 220 CD PRO A 10 -12.347 12.059 1.956 1.00 0.00 C ATOM 0 HA PRO A 10 -15.340 11.828 3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.967 10.251 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.904 11.991 0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.553 10.053 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.729 11.330 -0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.336 11.767 2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.279 13.051 1.509 1.00 0.00 H new ATOM 228 N PHE A 11 -14.610 9.987 4.863 1.00 0.00 N ATOM 229 CA PHE A 11 -14.626 8.786 5.683 1.00 0.00 C ATOM 230 C PHE A 11 -15.688 7.811 5.163 1.00 0.00 C ATOM 231 O PHE A 11 -15.450 6.603 5.175 1.00 0.00 O ATOM 232 CB PHE A 11 -14.830 9.152 7.162 1.00 0.00 C ATOM 233 CG PHE A 11 -14.068 8.263 8.123 1.00 0.00 C ATOM 234 CD1 PHE A 11 -12.679 8.437 8.273 1.00 0.00 C ATOM 235 CD2 PHE A 11 -14.733 7.268 8.867 1.00 0.00 C ATOM 236 CE1 PHE A 11 -11.955 7.614 9.152 1.00 0.00 C ATOM 237 CE2 PHE A 11 -14.002 6.440 9.742 1.00 0.00 C ATOM 238 CZ PHE A 11 -12.618 6.618 9.886 1.00 0.00 C ATOM 0 H PHE A 11 -14.752 10.846 5.395 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.663 8.280 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.522 10.186 7.316 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.893 9.098 7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.169 9.205 7.711 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.801 7.140 8.767 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.889 7.748 9.263 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.508 5.668 10.302 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.061 5.987 10.563 1.00 0.00 H new ATOM 248 N GLU A 12 -16.821 8.327 4.658 1.00 0.00 N ATOM 249 CA GLU A 12 -17.891 7.489 4.120 1.00 0.00 C ATOM 250 C GLU A 12 -17.436 6.744 2.861 1.00 0.00 C ATOM 251 O GLU A 12 -17.857 5.612 2.633 1.00 0.00 O ATOM 252 CB GLU A 12 -19.177 8.305 3.831 1.00 0.00 C ATOM 253 CG GLU A 12 -19.123 9.185 2.563 1.00 0.00 C ATOM 254 CD GLU A 12 -20.449 9.860 2.202 1.00 0.00 C ATOM 255 OE1 GLU A 12 -21.446 9.153 1.924 1.00 0.00 O ATOM 256 OE2 GLU A 12 -20.472 11.106 2.062 1.00 0.00 O ATOM 0 H GLU A 12 -17.014 9.328 4.614 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.130 6.753 4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.015 7.613 3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -19.384 8.944 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -18.364 9.955 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -18.802 8.570 1.722 1.00 0.00 H new ATOM 263 N TYR A 13 -16.630 7.394 2.011 1.00 0.00 N ATOM 264 CA TYR A 13 -16.150 6.793 0.778 1.00 0.00 C ATOM 265 C TYR A 13 -15.032 5.823 1.111 1.00 0.00 C ATOM 266 O TYR A 13 -15.039 4.701 0.623 1.00 0.00 O ATOM 267 CB TYR A 13 -15.724 7.854 -0.248 1.00 0.00 C ATOM 268 CG TYR A 13 -15.819 7.357 -1.680 1.00 0.00 C ATOM 269 CD1 TYR A 13 -17.081 7.058 -2.226 1.00 0.00 C ATOM 270 CD2 TYR A 13 -14.662 7.164 -2.458 1.00 0.00 C ATOM 271 CE1 TYR A 13 -17.190 6.550 -3.530 1.00 0.00 C ATOM 272 CE2 TYR A 13 -14.760 6.641 -3.761 1.00 0.00 C ATOM 273 CZ TYR A 13 -16.027 6.319 -4.297 1.00 0.00 C ATOM 274 OH TYR A 13 -16.148 5.846 -5.567 1.00 0.00 O ATOM 0 H TYR A 13 -16.299 8.346 2.165 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.962 6.241 0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -16.351 8.738 -0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.699 8.162 -0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.972 7.221 -1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.694 7.419 -2.053 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -18.163 6.336 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.868 6.486 -4.350 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.258 5.741 -5.963 1.00 0.00 H new ATOM 284 N ARG A 14 -14.112 6.215 1.994 1.00 0.00 N ATOM 285 CA ARG A 14 -13.003 5.372 2.413 1.00 0.00 C ATOM 286 C ARG A 14 -13.557 4.060 2.967 1.00 0.00 C ATOM 287 O ARG A 14 -13.092 2.991 2.591 1.00 0.00 O ATOM 288 CB ARG A 14 -12.202 6.159 3.455 1.00 0.00 C ATOM 289 CG ARG A 14 -10.882 5.495 3.850 1.00 0.00 C ATOM 290 CD ARG A 14 -9.698 5.902 2.968 1.00 0.00 C ATOM 291 NE ARG A 14 -8.430 5.616 3.662 1.00 0.00 N ATOM 292 CZ ARG A 14 -7.900 6.370 4.636 1.00 0.00 C ATOM 293 NH1 ARG A 14 -8.389 7.576 4.914 1.00 0.00 N ATOM 294 NH2 ARG A 14 -6.887 5.930 5.368 1.00 0.00 N ATOM 0 H ARG A 14 -14.120 7.133 2.438 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.343 5.115 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.994 7.155 3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.814 6.289 4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.655 5.747 4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.002 4.413 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.735 5.360 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.760 6.964 2.729 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.916 4.781 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.180 7.941 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.973 8.136 5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.497 5.003 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.497 6.518 6.105 1.00 0.00 H new ATOM 308 N LYS A 15 -14.628 4.125 3.764 1.00 0.00 N ATOM 309 CA LYS A 15 -15.240 2.937 4.330 1.00 0.00 C ATOM 310 C LYS A 15 -15.877 2.118 3.212 1.00 0.00 C ATOM 311 O LYS A 15 -15.613 0.926 3.123 1.00 0.00 O ATOM 312 CB LYS A 15 -16.249 3.345 5.410 1.00 0.00 C ATOM 313 CG LYS A 15 -17.115 2.226 6.011 1.00 0.00 C ATOM 314 CD LYS A 15 -16.307 0.953 6.289 1.00 0.00 C ATOM 315 CE LYS A 15 -16.900 0.077 7.394 1.00 0.00 C ATOM 316 NZ LYS A 15 -16.599 0.604 8.739 1.00 0.00 N ATOM 0 H LYS A 15 -15.085 4.998 4.028 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.490 2.309 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.702 3.824 6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.914 4.098 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.567 2.577 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.931 1.994 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.239 0.369 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.290 1.232 6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.980 0.011 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.506 -0.935 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.707 -0.155 9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.622 0.960 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.255 1.379 8.963 1.00 0.00 H new ATOM 330 N LYS A 16 -16.707 2.728 2.360 1.00 0.00 N ATOM 331 CA LYS A 16 -17.375 2.045 1.242 1.00 0.00 C ATOM 332 C LYS A 16 -16.361 1.298 0.382 1.00 0.00 C ATOM 333 O LYS A 16 -16.587 0.131 0.071 1.00 0.00 O ATOM 334 CB LYS A 16 -18.098 3.055 0.340 1.00 0.00 C ATOM 335 CG LYS A 16 -19.467 3.503 0.859 1.00 0.00 C ATOM 336 CD LYS A 16 -19.922 4.729 0.052 1.00 0.00 C ATOM 337 CE LYS A 16 -21.334 5.211 0.391 1.00 0.00 C ATOM 338 NZ LYS A 16 -21.505 5.488 1.827 1.00 0.00 N ATOM 0 H LYS A 16 -16.938 3.719 2.426 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.091 1.346 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.464 3.933 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.225 2.614 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.192 2.695 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.407 3.749 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -19.220 5.545 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.877 4.489 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.553 6.114 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.056 4.456 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.443 5.907 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.424 4.601 2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.770 6.152 2.142 1.00 0.00 H new ATOM 352 N GLU A 17 -15.250 1.937 0.036 1.00 0.00 N ATOM 353 CA GLU A 17 -14.196 1.364 -0.785 1.00 0.00 C ATOM 354 C GLU A 17 -13.608 0.152 -0.062 1.00 0.00 C ATOM 355 O GLU A 17 -13.537 -0.931 -0.645 1.00 0.00 O ATOM 356 CB GLU A 17 -13.118 2.431 -1.005 1.00 0.00 C ATOM 357 CG GLU A 17 -13.558 3.581 -1.922 1.00 0.00 C ATOM 358 CD GLU A 17 -13.438 3.210 -3.392 1.00 0.00 C ATOM 359 OE1 GLU A 17 -12.286 3.138 -3.876 1.00 0.00 O ATOM 360 OE2 GLU A 17 -14.470 3.044 -4.072 1.00 0.00 O ATOM 0 H GLU A 17 -15.054 2.894 0.328 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.588 1.043 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.825 2.842 -0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.234 1.957 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.590 3.849 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.948 4.461 -1.719 1.00 0.00 H new ATOM 367 N GLY A 18 -13.261 0.305 1.221 1.00 0.00 N ATOM 368 CA GLY A 18 -12.693 -0.759 2.036 1.00 0.00 C ATOM 369 C GLY A 18 -13.658 -1.935 2.136 1.00 0.00 C ATOM 370 O GLY A 18 -13.256 -3.086 2.015 1.00 0.00 O ATOM 0 H GLY A 18 -13.371 1.186 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.750 -1.092 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.469 -0.380 3.033 1.00 0.00 H new ATOM 374 N GLU A 19 -14.944 -1.660 2.345 1.00 0.00 N ATOM 375 CA GLU A 19 -16.020 -2.630 2.461 1.00 0.00 C ATOM 376 C GLU A 19 -16.185 -3.407 1.145 1.00 0.00 C ATOM 377 O GLU A 19 -16.317 -4.639 1.137 1.00 0.00 O ATOM 378 CB GLU A 19 -17.291 -1.844 2.845 1.00 0.00 C ATOM 379 CG GLU A 19 -18.595 -2.644 2.786 1.00 0.00 C ATOM 380 CD GLU A 19 -19.821 -1.739 2.904 1.00 0.00 C ATOM 381 OE1 GLU A 19 -20.063 -1.179 3.993 1.00 0.00 O ATOM 382 OE2 GLU A 19 -20.594 -1.648 1.919 1.00 0.00 O ATOM 0 H GLU A 19 -15.277 -0.701 2.443 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.808 -3.377 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.167 -1.456 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.381 -0.984 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.640 -3.197 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.607 -3.379 3.590 1.00 0.00 H new ATOM 389 N LYS A 20 -16.219 -2.702 0.013 1.00 0.00 N ATOM 390 CA LYS A 20 -16.387 -3.339 -1.286 1.00 0.00 C ATOM 391 C LYS A 20 -15.169 -4.179 -1.623 1.00 0.00 C ATOM 392 O LYS A 20 -15.329 -5.363 -1.931 1.00 0.00 O ATOM 393 CB LYS A 20 -16.671 -2.295 -2.382 1.00 0.00 C ATOM 394 CG LYS A 20 -18.179 -2.099 -2.602 1.00 0.00 C ATOM 395 CD LYS A 20 -18.897 -1.339 -1.482 1.00 0.00 C ATOM 396 CE LYS A 20 -20.411 -1.444 -1.677 1.00 0.00 C ATOM 397 NZ LYS A 20 -21.145 -0.695 -0.640 1.00 0.00 N ATOM 0 H LYS A 20 -16.132 -1.686 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.252 -4.001 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.217 -1.344 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.205 -2.611 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.329 -1.564 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.646 -3.077 -2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.616 -1.750 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.592 -0.293 -1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.679 -1.061 -2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.710 -2.492 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.159 -0.689 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.002 -1.150 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.792 0.283 -0.603 1.00 0.00 H new ATOM 411 N ILE A 21 -13.962 -3.639 -1.455 1.00 0.00 N ATOM 412 CA ILE A 21 -12.751 -4.379 -1.768 1.00 0.00 C ATOM 413 C ILE A 21 -12.538 -5.510 -0.766 1.00 0.00 C ATOM 414 O ILE A 21 -12.092 -6.574 -1.184 1.00 0.00 O ATOM 415 CB ILE A 21 -11.578 -3.379 -1.842 1.00 0.00 C ATOM 416 CG1 ILE A 21 -11.691 -2.490 -3.104 1.00 0.00 C ATOM 417 CG2 ILE A 21 -10.190 -4.028 -1.776 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.496 -3.215 -4.449 1.00 0.00 C ATOM 0 H ILE A 21 -13.802 -2.694 -1.105 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.829 -4.869 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.667 -2.765 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.673 -2.016 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.952 -1.692 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.424 -3.255 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.087 -4.571 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.072 -4.720 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.596 -2.500 -5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.504 -3.665 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.251 -3.994 -4.555 1.00 0.00 H new ATOM 430 N ARG A 22 -12.980 -5.384 0.491 1.00 0.00 N ATOM 431 CA ARG A 22 -12.820 -6.455 1.472 1.00 0.00 C ATOM 432 C ARG A 22 -13.658 -7.624 1.008 1.00 0.00 C ATOM 433 O ARG A 22 -13.193 -8.753 1.034 1.00 0.00 O ATOM 434 CB ARG A 22 -13.248 -6.006 2.882 1.00 0.00 C ATOM 435 CG ARG A 22 -13.260 -7.122 3.946 1.00 0.00 C ATOM 436 CD ARG A 22 -11.898 -7.814 4.076 1.00 0.00 C ATOM 437 NE ARG A 22 -11.785 -8.644 5.294 1.00 0.00 N ATOM 438 CZ ARG A 22 -10.736 -9.410 5.636 1.00 0.00 C ATOM 439 NH1 ARG A 22 -9.668 -9.486 4.847 1.00 0.00 N ATOM 440 NH2 ARG A 22 -10.764 -10.114 6.765 1.00 0.00 N ATOM 0 H ARG A 22 -13.450 -4.552 0.849 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.769 -6.735 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.576 -5.215 3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.246 -5.572 2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.544 -6.700 4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.018 -7.861 3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.730 -8.440 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.112 -7.059 4.084 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.578 -8.634 5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.641 -8.960 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.876 -10.070 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.583 -10.072 7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.967 -10.695 7.023 1.00 0.00 H new ATOM 454 N LYS A 23 -14.900 -7.378 0.584 1.00 0.00 N ATOM 455 CA LYS A 23 -15.730 -8.482 0.126 1.00 0.00 C ATOM 456 C LYS A 23 -15.274 -8.993 -1.239 1.00 0.00 C ATOM 457 O LYS A 23 -15.371 -10.195 -1.479 1.00 0.00 O ATOM 458 CB LYS A 23 -17.206 -8.069 0.092 1.00 0.00 C ATOM 459 CG LYS A 23 -17.780 -7.812 1.493 1.00 0.00 C ATOM 460 CD LYS A 23 -18.072 -9.106 2.270 1.00 0.00 C ATOM 461 CE LYS A 23 -18.586 -8.854 3.694 1.00 0.00 C ATOM 462 NZ LYS A 23 -19.602 -7.784 3.760 1.00 0.00 N ATOM 0 H LYS A 23 -15.337 -6.457 0.550 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.619 -9.301 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.313 -7.168 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.787 -8.851 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.076 -7.204 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.700 -7.234 1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.810 -9.692 1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.163 -9.705 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -19.012 -9.776 4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.746 -8.590 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.045 -7.783 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.148 -6.864 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.329 -7.950 3.035 1.00 0.00 H new ATOM 476 N LYS A 24 -14.816 -8.131 -2.154 1.00 0.00 N ATOM 477 CA LYS A 24 -14.364 -8.535 -3.477 1.00 0.00 C ATOM 478 C LYS A 24 -13.129 -9.422 -3.393 1.00 0.00 C ATOM 479 O LYS A 24 -13.081 -10.442 -4.074 1.00 0.00 O ATOM 480 CB LYS A 24 -14.048 -7.269 -4.313 1.00 0.00 C ATOM 481 CG LYS A 24 -14.047 -7.482 -5.831 1.00 0.00 C ATOM 482 CD LYS A 24 -15.446 -7.334 -6.446 1.00 0.00 C ATOM 483 CE LYS A 24 -16.321 -8.568 -6.218 1.00 0.00 C ATOM 484 NZ LYS A 24 -17.664 -8.447 -6.809 1.00 0.00 N ATOM 0 H LYS A 24 -14.751 -7.127 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.156 -9.111 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.779 -6.498 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.072 -6.888 -4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.372 -6.763 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.658 -8.475 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.937 -6.460 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.351 -7.153 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.823 -9.441 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.418 -8.743 -5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.206 -9.314 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.156 -7.633 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.580 -8.309 -7.836 1.00 0.00 H new ATOM 498 N TYR A 25 -12.160 -9.032 -2.563 1.00 0.00 N ATOM 499 CA TYR A 25 -10.893 -9.712 -2.380 1.00 0.00 C ATOM 500 C TYR A 25 -10.503 -9.857 -0.899 1.00 0.00 C ATOM 501 O TYR A 25 -9.530 -9.236 -0.478 1.00 0.00 O ATOM 502 CB TYR A 25 -9.869 -8.861 -3.147 1.00 0.00 C ATOM 503 CG TYR A 25 -10.184 -8.604 -4.608 1.00 0.00 C ATOM 504 CD1 TYR A 25 -10.334 -9.692 -5.483 1.00 0.00 C ATOM 505 CD2 TYR A 25 -10.286 -7.287 -5.101 1.00 0.00 C ATOM 506 CE1 TYR A 25 -10.578 -9.470 -6.843 1.00 0.00 C ATOM 507 CE2 TYR A 25 -10.524 -7.056 -6.467 1.00 0.00 C ATOM 508 CZ TYR A 25 -10.676 -8.154 -7.343 1.00 0.00 C ATOM 509 OH TYR A 25 -10.951 -7.977 -8.660 1.00 0.00 O ATOM 0 H TYR A 25 -12.248 -8.200 -1.980 1.00 0.00 H new ATOM 0 HA TYR A 25 -10.944 -10.735 -2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.772 -7.900 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.898 -9.352 -3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.261 -10.701 -5.106 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.181 -6.451 -4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.692 -10.309 -7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.590 -6.046 -6.844 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.989 -7.018 -8.860 1.00 0.00 H new ATOM 519 N PRO A 26 -11.168 -10.687 -0.079 1.00 0.00 N ATOM 520 CA PRO A 26 -10.817 -10.823 1.339 1.00 0.00 C ATOM 521 C PRO A 26 -9.432 -11.447 1.570 1.00 0.00 C ATOM 522 O PRO A 26 -8.810 -11.219 2.611 1.00 0.00 O ATOM 523 CB PRO A 26 -11.956 -11.623 1.970 1.00 0.00 C ATOM 524 CG PRO A 26 -12.522 -12.417 0.794 1.00 0.00 C ATOM 525 CD PRO A 26 -12.329 -11.493 -0.404 1.00 0.00 C ATOM 0 HA PRO A 26 -10.720 -9.845 1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.596 -12.279 2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.708 -10.971 2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.994 -13.361 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.574 -12.659 0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.169 -12.063 -1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.208 -10.870 -0.566 1.00 0.00 H new ATOM 533 N ASP A 27 -8.905 -12.201 0.604 1.00 0.00 N ATOM 534 CA ASP A 27 -7.579 -12.820 0.707 1.00 0.00 C ATOM 535 C ASP A 27 -6.485 -11.796 0.345 1.00 0.00 C ATOM 536 O ASP A 27 -5.305 -12.139 0.242 1.00 0.00 O ATOM 537 CB ASP A 27 -7.476 -14.046 -0.215 1.00 0.00 C ATOM 538 CG ASP A 27 -8.398 -15.193 0.187 1.00 0.00 C ATOM 539 OD1 ASP A 27 -8.458 -15.540 1.387 1.00 0.00 O ATOM 540 OD2 ASP A 27 -9.124 -15.715 -0.692 1.00 0.00 O ATOM 0 H ASP A 27 -9.385 -12.401 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.434 -13.149 1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.711 -13.743 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.446 -14.403 -0.217 1.00 0.00 H new ATOM 545 N ARG A 28 -6.856 -10.545 0.052 1.00 0.00 N ATOM 546 CA ARG A 28 -5.967 -9.455 -0.321 1.00 0.00 C ATOM 547 C ARG A 28 -6.282 -8.255 0.571 1.00 0.00 C ATOM 548 O ARG A 28 -7.348 -8.185 1.184 1.00 0.00 O ATOM 549 CB ARG A 28 -6.074 -9.119 -1.823 1.00 0.00 C ATOM 550 CG ARG A 28 -5.651 -10.232 -2.810 1.00 0.00 C ATOM 551 CD ARG A 28 -6.740 -11.282 -3.110 1.00 0.00 C ATOM 552 NE ARG A 28 -6.263 -12.403 -3.935 1.00 0.00 N ATOM 553 CZ ARG A 28 -5.528 -13.445 -3.530 1.00 0.00 C ATOM 554 NH1 ARG A 28 -4.967 -13.451 -2.324 1.00 0.00 N ATOM 555 NH2 ARG A 28 -5.335 -14.478 -4.344 1.00 0.00 N ATOM 0 H ARG A 28 -7.835 -10.258 0.071 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.930 -9.752 -0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.107 -8.846 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.463 -8.238 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.345 -9.769 -3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.776 -10.742 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.126 -11.673 -2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.572 -10.795 -3.618 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.520 -12.384 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.095 -12.656 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.409 -14.251 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.747 -14.476 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.775 -15.273 -4.036 1.00 0.00 H new ATOM 569 N VAL A 29 -5.352 -7.307 0.662 1.00 0.00 N ATOM 570 CA VAL A 29 -5.493 -6.114 1.487 1.00 0.00 C ATOM 571 C VAL A 29 -5.156 -4.870 0.648 1.00 0.00 C ATOM 572 O VAL A 29 -4.210 -4.921 -0.153 1.00 0.00 O ATOM 573 CB VAL A 29 -4.627 -6.279 2.762 1.00 0.00 C ATOM 574 CG1 VAL A 29 -5.002 -7.567 3.525 1.00 0.00 C ATOM 575 CG2 VAL A 29 -3.110 -6.335 2.509 1.00 0.00 C ATOM 0 H VAL A 29 -4.467 -7.349 0.156 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.520 -5.978 1.826 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.843 -5.381 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.379 -7.657 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.051 -7.523 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.842 -8.431 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.587 -6.451 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.880 -7.181 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.787 -5.412 2.028 1.00 0.00 H new ATOM 585 N PRO A 30 -5.909 -3.755 0.772 1.00 0.00 N ATOM 586 CA PRO A 30 -5.635 -2.540 0.012 1.00 0.00 C ATOM 587 C PRO A 30 -4.487 -1.769 0.675 1.00 0.00 C ATOM 588 O PRO A 30 -4.591 -1.333 1.829 1.00 0.00 O ATOM 589 CB PRO A 30 -6.960 -1.772 0.029 1.00 0.00 C ATOM 590 CG PRO A 30 -7.577 -2.150 1.378 1.00 0.00 C ATOM 591 CD PRO A 30 -7.057 -3.562 1.650 1.00 0.00 C ATOM 0 HA PRO A 30 -5.312 -2.722 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.801 -0.697 -0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.603 -2.063 -0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.274 -1.457 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.666 -2.128 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.770 -3.675 2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.829 -4.305 1.449 1.00 0.00 H new ATOM 599 N VAL A 31 -3.455 -1.458 -0.112 1.00 0.00 N ATOM 600 CA VAL A 31 -2.259 -0.763 0.339 1.00 0.00 C ATOM 601 C VAL A 31 -2.048 0.554 -0.413 1.00 0.00 C ATOM 602 O VAL A 31 -2.192 0.606 -1.642 1.00 0.00 O ATOM 603 CB VAL A 31 -1.052 -1.715 0.174 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.269 -1.079 0.618 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.250 -3.014 0.978 1.00 0.00 C ATOM 0 H VAL A 31 -3.432 -1.691 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.371 -0.493 1.389 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.998 -1.933 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.081 -1.793 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.463 -0.188 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.204 -0.803 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.384 -3.662 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.360 -2.774 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.146 -3.526 0.627 1.00 0.00 H new ATOM 615 N ILE A 32 -1.671 1.604 0.314 1.00 0.00 N ATOM 616 CA ILE A 32 -1.376 2.930 -0.220 1.00 0.00 C ATOM 617 C ILE A 32 0.139 2.895 -0.380 1.00 0.00 C ATOM 618 O ILE A 32 0.851 2.419 0.507 1.00 0.00 O ATOM 619 CB ILE A 32 -1.792 4.065 0.744 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.312 4.023 0.978 1.00 0.00 C ATOM 621 CG2 ILE A 32 -1.357 5.445 0.204 1.00 0.00 C ATOM 622 CD1 ILE A 32 -3.812 5.051 1.988 1.00 0.00 C ATOM 0 H ILE A 32 -1.559 1.552 1.326 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.921 3.136 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.285 3.912 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.820 4.185 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.589 3.026 1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.664 6.223 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.273 5.466 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.827 5.622 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.892 4.958 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.333 4.877 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.568 6.054 1.638 1.00 0.00 H new ATOM 634 N VAL A 33 0.630 3.374 -1.516 1.00 0.00 N ATOM 635 CA VAL A 33 2.040 3.401 -1.843 1.00 0.00 C ATOM 636 C VAL A 33 2.462 4.866 -1.839 1.00 0.00 C ATOM 637 O VAL A 33 2.004 5.624 -2.694 1.00 0.00 O ATOM 638 CB VAL A 33 2.210 2.716 -3.222 1.00 0.00 C ATOM 639 CG1 VAL A 33 3.690 2.595 -3.590 1.00 0.00 C ATOM 640 CG2 VAL A 33 1.562 1.317 -3.275 1.00 0.00 C ATOM 0 H VAL A 33 0.039 3.763 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 33 2.670 2.865 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 33 1.697 3.353 -3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.785 2.111 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.136 3.588 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.205 1.999 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.712 0.884 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.022 0.674 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.494 1.403 -3.074 1.00 0.00 H new ATOM 650 N GLU A 34 3.396 5.252 -0.965 1.00 0.00 N ATOM 651 CA GLU A 34 3.862 6.625 -0.872 1.00 0.00 C ATOM 652 C GLU A 34 5.372 6.672 -0.593 1.00 0.00 C ATOM 653 O GLU A 34 5.920 5.863 0.158 1.00 0.00 O ATOM 654 CB GLU A 34 3.038 7.300 0.234 1.00 0.00 C ATOM 655 CG GLU A 34 3.281 8.809 0.344 1.00 0.00 C ATOM 656 CD GLU A 34 2.325 9.480 1.336 1.00 0.00 C ATOM 657 OE1 GLU A 34 1.089 9.370 1.155 1.00 0.00 O ATOM 658 OE2 GLU A 34 2.791 10.196 2.255 1.00 0.00 O ATOM 0 H GLU A 34 3.846 4.617 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 34 3.721 7.158 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.979 7.124 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.274 6.832 1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.310 8.987 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.162 9.267 -0.638 1.00 0.00 H new ATOM 665 N LYS A 35 6.075 7.605 -1.232 1.00 0.00 N ATOM 666 CA LYS A 35 7.509 7.791 -1.046 1.00 0.00 C ATOM 667 C LYS A 35 7.691 8.874 0.012 1.00 0.00 C ATOM 668 O LYS A 35 6.940 9.855 0.010 1.00 0.00 O ATOM 669 CB LYS A 35 8.204 8.091 -2.382 1.00 0.00 C ATOM 670 CG LYS A 35 8.039 9.497 -2.981 1.00 0.00 C ATOM 671 CD LYS A 35 9.081 10.527 -2.521 1.00 0.00 C ATOM 672 CE LYS A 35 10.529 10.099 -2.788 1.00 0.00 C ATOM 673 NZ LYS A 35 10.772 9.736 -4.202 1.00 0.00 N ATOM 0 H LYS A 35 5.661 8.257 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 35 7.991 6.880 -0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.270 7.906 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.842 7.371 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.082 9.420 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.046 9.869 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.892 11.473 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.955 10.706 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.200 10.910 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.774 9.248 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.783 9.537 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.217 8.890 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.487 10.525 -4.817 1.00 0.00 H new ATOM 687 N ALA A 36 8.653 8.693 0.907 1.00 0.00 N ATOM 688 CA ALA A 36 8.965 9.632 1.975 1.00 0.00 C ATOM 689 C ALA A 36 10.042 10.616 1.481 1.00 0.00 C ATOM 690 O ALA A 36 10.658 10.381 0.431 1.00 0.00 O ATOM 691 CB ALA A 36 9.465 8.817 3.174 1.00 0.00 C ATOM 0 H ALA A 36 9.253 7.868 0.910 1.00 0.00 H new ATOM 0 HA ALA A 36 8.090 10.212 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.709 9.491 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.687 8.123 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.355 8.257 2.887 1.00 0.00 H new ATOM 697 N PRO A 37 10.255 11.737 2.190 1.00 0.00 N ATOM 698 CA PRO A 37 11.257 12.719 1.812 1.00 0.00 C ATOM 699 C PRO A 37 12.663 12.142 2.019 1.00 0.00 C ATOM 700 O PRO A 37 12.834 11.100 2.648 1.00 0.00 O ATOM 701 CB PRO A 37 10.972 13.956 2.666 1.00 0.00 C ATOM 702 CG PRO A 37 10.193 13.432 3.871 1.00 0.00 C ATOM 703 CD PRO A 37 9.590 12.111 3.427 1.00 0.00 C ATOM 0 HA PRO A 37 11.212 12.989 0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.896 14.444 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.392 14.694 2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.848 13.294 4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.417 14.136 4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.734 11.345 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.515 12.210 3.273 1.00 0.00 H new ATOM 711 N LYS A 38 13.684 12.831 1.496 1.00 0.00 N ATOM 712 CA LYS A 38 15.111 12.456 1.556 1.00 0.00 C ATOM 713 C LYS A 38 15.466 11.193 0.776 1.00 0.00 C ATOM 714 O LYS A 38 16.649 10.958 0.532 1.00 0.00 O ATOM 715 CB LYS A 38 15.649 12.370 3.001 1.00 0.00 C ATOM 716 CG LYS A 38 15.564 13.692 3.771 1.00 0.00 C ATOM 717 CD LYS A 38 16.323 14.790 3.025 1.00 0.00 C ATOM 718 CE LYS A 38 16.492 16.009 3.916 1.00 0.00 C ATOM 719 NZ LYS A 38 17.366 16.994 3.266 1.00 0.00 N ATOM 0 H LYS A 38 13.536 13.707 0.995 1.00 0.00 H new ATOM 0 HA LYS A 38 15.616 13.281 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.089 11.608 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.688 12.042 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.521 13.982 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.981 13.566 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.300 14.420 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.783 15.065 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.519 16.455 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.917 15.712 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.474 17.823 3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.299 16.568 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.945 17.289 2.362 1.00 0.00 H new ATOM 733 N ALA A 39 14.481 10.423 0.321 1.00 0.00 N ATOM 734 CA ALA A 39 14.720 9.220 -0.444 1.00 0.00 C ATOM 735 C ALA A 39 15.415 9.557 -1.770 1.00 0.00 C ATOM 736 O ALA A 39 15.412 10.704 -2.223 1.00 0.00 O ATOM 737 CB ALA A 39 13.384 8.522 -0.705 1.00 0.00 C ATOM 0 H ALA A 39 13.493 10.624 0.478 1.00 0.00 H new ATOM 0 HA ALA A 39 15.374 8.555 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.555 7.613 -1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.915 8.266 0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.728 9.189 -1.265 1.00 0.00 H new ATOM 743 N ARG A 40 16.012 8.553 -2.404 1.00 0.00 N ATOM 744 CA ARG A 40 16.688 8.654 -3.689 1.00 0.00 C ATOM 745 C ARG A 40 16.278 7.385 -4.404 1.00 0.00 C ATOM 746 O ARG A 40 17.040 6.424 -4.500 1.00 0.00 O ATOM 747 CB ARG A 40 18.199 8.847 -3.505 1.00 0.00 C ATOM 748 CG ARG A 40 18.986 8.925 -4.823 1.00 0.00 C ATOM 749 CD ARG A 40 18.386 9.910 -5.834 1.00 0.00 C ATOM 750 NE ARG A 40 19.393 10.330 -6.821 1.00 0.00 N ATOM 751 CZ ARG A 40 20.051 11.498 -6.877 1.00 0.00 C ATOM 752 NH1 ARG A 40 19.734 12.546 -6.122 1.00 0.00 N ATOM 753 NH2 ARG A 40 21.070 11.631 -7.714 1.00 0.00 N ATOM 0 H ARG A 40 16.038 7.609 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 40 16.410 9.526 -4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.371 9.761 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.590 8.022 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 40 20.013 9.218 -4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 40 19.026 7.933 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.543 9.444 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.998 10.784 -5.310 1.00 0.00 H new ATOM 0 HE ARG A 40 19.618 9.652 -7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.959 12.483 -5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 40 20.266 13.412 -6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 40 21.347 10.850 -8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 40 21.577 12.515 -7.764 1.00 0.00 H new ATOM 767 N VAL A 41 15.008 7.353 -4.792 1.00 0.00 N ATOM 768 CA VAL A 41 14.381 6.239 -5.468 1.00 0.00 C ATOM 769 C VAL A 41 13.558 6.755 -6.655 1.00 0.00 C ATOM 770 O VAL A 41 12.956 7.829 -6.556 1.00 0.00 O ATOM 771 CB VAL A 41 13.505 5.460 -4.448 1.00 0.00 C ATOM 772 CG1 VAL A 41 14.301 4.761 -3.333 1.00 0.00 C ATOM 773 CG2 VAL A 41 12.472 6.364 -3.747 1.00 0.00 C ATOM 0 H VAL A 41 14.370 8.133 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 41 15.133 5.556 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 41 13.017 4.709 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.613 4.241 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.991 4.042 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.864 5.504 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.886 5.771 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.989 7.158 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.809 6.804 -4.492 1.00 0.00 H new ATOM 783 N PRO A 42 13.466 5.997 -7.760 1.00 0.00 N ATOM 784 CA PRO A 42 12.700 6.400 -8.929 1.00 0.00 C ATOM 785 C PRO A 42 11.205 6.316 -8.650 1.00 0.00 C ATOM 786 O PRO A 42 10.755 5.642 -7.712 1.00 0.00 O ATOM 787 CB PRO A 42 13.124 5.452 -10.050 1.00 0.00 C ATOM 788 CG PRO A 42 13.473 4.178 -9.287 1.00 0.00 C ATOM 789 CD PRO A 42 14.113 4.716 -8.008 1.00 0.00 C ATOM 0 HA PRO A 42 12.893 7.437 -9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.321 5.288 -10.769 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.977 5.838 -10.608 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.588 3.578 -9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 42 14.160 3.545 -9.848 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.960 4.031 -7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.190 4.837 -8.128 1.00 0.00 H new ATOM 797 N ASP A 43 10.431 7.058 -9.433 1.00 0.00 N ATOM 798 CA ASP A 43 8.984 7.086 -9.324 1.00 0.00 C ATOM 799 C ASP A 43 8.392 6.132 -10.349 1.00 0.00 C ATOM 800 O ASP A 43 8.953 5.914 -11.429 1.00 0.00 O ATOM 801 CB ASP A 43 8.416 8.486 -9.582 1.00 0.00 C ATOM 802 CG ASP A 43 8.555 9.415 -8.387 1.00 0.00 C ATOM 803 OD1 ASP A 43 8.292 8.960 -7.249 1.00 0.00 O ATOM 804 OD2 ASP A 43 8.897 10.603 -8.573 1.00 0.00 O ATOM 0 H ASP A 43 10.798 7.662 -10.168 1.00 0.00 H new ATOM 0 HA ASP A 43 8.722 6.791 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.926 8.927 -10.438 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.362 8.401 -9.848 1.00 0.00 H new ATOM 809 N LEU A 44 7.275 5.510 -9.980 1.00 0.00 N ATOM 810 CA LEU A 44 6.510 4.587 -10.805 1.00 0.00 C ATOM 811 C LEU A 44 5.053 5.006 -10.627 1.00 0.00 C ATOM 812 O LEU A 44 4.689 5.584 -9.593 1.00 0.00 O ATOM 813 CB LEU A 44 6.733 3.109 -10.446 1.00 0.00 C ATOM 814 CG LEU A 44 8.148 2.574 -10.755 1.00 0.00 C ATOM 815 CD1 LEU A 44 9.049 2.627 -9.514 1.00 0.00 C ATOM 816 CD2 LEU A 44 8.089 1.117 -11.218 1.00 0.00 C ATOM 0 H LEU A 44 6.863 5.643 -9.057 1.00 0.00 H new ATOM 0 HA LEU A 44 6.832 4.647 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.533 2.974 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.005 2.504 -10.987 1.00 0.00 H new ATOM 0 HG LEU A 44 8.557 3.209 -11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.038 2.243 -9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.136 3.658 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.614 2.017 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.097 0.761 -11.430 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.645 0.504 -10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.482 1.046 -12.121 1.00 0.00 H new ATOM 828 N ASP A 45 4.198 4.687 -11.593 1.00 0.00 N ATOM 829 CA ASP A 45 2.788 5.054 -11.535 1.00 0.00 C ATOM 830 C ASP A 45 2.009 4.047 -10.692 1.00 0.00 C ATOM 831 O ASP A 45 1.167 3.290 -11.186 1.00 0.00 O ATOM 832 CB ASP A 45 2.215 5.289 -12.940 1.00 0.00 C ATOM 833 CG ASP A 45 2.920 6.462 -13.619 1.00 0.00 C ATOM 834 OD1 ASP A 45 3.163 7.501 -12.960 1.00 0.00 O ATOM 835 OD2 ASP A 45 3.325 6.321 -14.793 1.00 0.00 O ATOM 0 H ASP A 45 4.460 4.170 -12.432 1.00 0.00 H new ATOM 0 HA ASP A 45 2.682 6.012 -11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.334 4.388 -13.542 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.146 5.489 -12.874 1.00 0.00 H new ATOM 840 N LYS A 46 2.263 4.063 -9.383 1.00 0.00 N ATOM 841 CA LYS A 46 1.655 3.219 -8.363 1.00 0.00 C ATOM 842 C LYS A 46 1.256 4.094 -7.175 1.00 0.00 C ATOM 843 O LYS A 46 2.109 4.771 -6.592 1.00 0.00 O ATOM 844 CB LYS A 46 2.629 2.091 -7.953 1.00 0.00 C ATOM 845 CG LYS A 46 3.978 2.594 -7.416 1.00 0.00 C ATOM 846 CD LYS A 46 5.041 1.504 -7.250 1.00 0.00 C ATOM 847 CE LYS A 46 6.192 1.990 -6.350 1.00 0.00 C ATOM 848 NZ LYS A 46 6.657 3.355 -6.680 1.00 0.00 N ATOM 0 H LYS A 46 2.944 4.710 -8.985 1.00 0.00 H new ATOM 0 HA LYS A 46 0.758 2.738 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.154 1.474 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.809 1.450 -8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.362 3.358 -8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.815 3.074 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.588 0.612 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.433 1.221 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.866 1.966 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.029 1.298 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.619 3.309 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.017 3.780 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.663 3.938 -5.818 1.00 0.00 H new ATOM 862 N ARG A 47 -0.038 4.135 -6.858 1.00 0.00 N ATOM 863 CA ARG A 47 -0.565 4.901 -5.728 1.00 0.00 C ATOM 864 C ARG A 47 -1.411 3.981 -4.856 1.00 0.00 C ATOM 865 O ARG A 47 -1.142 3.835 -3.668 1.00 0.00 O ATOM 866 CB ARG A 47 -1.315 6.147 -6.239 1.00 0.00 C ATOM 867 CG ARG A 47 -0.346 7.278 -6.629 1.00 0.00 C ATOM 868 CD ARG A 47 0.176 8.014 -5.392 1.00 0.00 C ATOM 869 NE ARG A 47 1.246 8.975 -5.716 1.00 0.00 N ATOM 870 CZ ARG A 47 1.585 10.006 -4.925 1.00 0.00 C ATOM 871 NH1 ARG A 47 0.964 10.215 -3.768 1.00 0.00 N ATOM 872 NH2 ARG A 47 2.536 10.860 -5.296 1.00 0.00 N ATOM 0 H ARG A 47 -0.756 3.634 -7.382 1.00 0.00 H new ATOM 0 HA ARG A 47 0.241 5.278 -5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.924 5.876 -7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.997 6.503 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.492 6.864 -7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.853 7.983 -7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.648 8.541 -4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.551 7.287 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 47 1.757 8.850 -6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.218 9.587 -3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.234 11.003 -3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.014 10.735 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.786 11.640 -4.688 1.00 0.00 H new ATOM 886 N LYS A 48 -2.364 3.259 -5.457 1.00 0.00 N ATOM 887 CA LYS A 48 -3.242 2.327 -4.749 1.00 0.00 C ATOM 888 C LYS A 48 -3.014 0.946 -5.332 1.00 0.00 C ATOM 889 O LYS A 48 -3.199 0.746 -6.537 1.00 0.00 O ATOM 890 CB LYS A 48 -4.726 2.741 -4.820 1.00 0.00 C ATOM 891 CG LYS A 48 -5.162 3.485 -6.098 1.00 0.00 C ATOM 892 CD LYS A 48 -4.960 5.013 -5.992 1.00 0.00 C ATOM 893 CE LYS A 48 -6.212 5.793 -5.567 1.00 0.00 C ATOM 894 NZ LYS A 48 -6.877 5.219 -4.382 1.00 0.00 N ATOM 0 H LYS A 48 -2.547 3.308 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.996 2.333 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.338 1.844 -4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.947 3.375 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.594 3.105 -6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.213 3.274 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.163 5.212 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.623 5.390 -6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.935 6.826 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.918 5.815 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.664 5.835 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.244 4.274 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.193 5.143 -3.603 1.00 0.00 H new ATOM 908 N TYR A 49 -2.657 0.003 -4.466 1.00 0.00 N ATOM 909 CA TYR A 49 -2.370 -1.378 -4.823 1.00 0.00 C ATOM 910 C TYR A 49 -3.155 -2.345 -3.935 1.00 0.00 C ATOM 911 O TYR A 49 -3.726 -1.944 -2.915 1.00 0.00 O ATOM 912 CB TYR A 49 -0.846 -1.613 -4.734 1.00 0.00 C ATOM 913 CG TYR A 49 -0.134 -1.610 -6.078 1.00 0.00 C ATOM 914 CD1 TYR A 49 -0.062 -0.440 -6.857 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.438 -2.798 -6.569 1.00 0.00 C ATOM 916 CE1 TYR A 49 0.540 -0.470 -8.128 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.075 -2.825 -7.821 1.00 0.00 C ATOM 918 CZ TYR A 49 1.125 -1.659 -8.614 1.00 0.00 C ATOM 919 OH TYR A 49 1.771 -1.687 -9.812 1.00 0.00 O ATOM 0 H TYR A 49 -2.557 0.186 -3.468 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.690 -1.569 -5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.407 -0.841 -4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.665 -2.569 -4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.471 0.485 -6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.387 -3.700 -5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.555 0.423 -8.736 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.527 -3.739 -8.177 1.00 0.00 H new ATOM 0 HH TYR A 49 2.110 -2.591 -9.980 1.00 0.00 H new ATOM 929 N LEU A 50 -3.163 -3.625 -4.308 1.00 0.00 N ATOM 930 CA LEU A 50 -3.828 -4.713 -3.600 1.00 0.00 C ATOM 931 C LEU A 50 -2.838 -5.871 -3.539 1.00 0.00 C ATOM 932 O LEU A 50 -2.393 -6.330 -4.592 1.00 0.00 O ATOM 933 CB LEU A 50 -5.130 -5.132 -4.312 1.00 0.00 C ATOM 934 CG LEU A 50 -6.236 -5.369 -3.279 1.00 0.00 C ATOM 935 CD1 LEU A 50 -6.906 -4.046 -2.917 1.00 0.00 C ATOM 936 CD2 LEU A 50 -7.301 -6.323 -3.803 1.00 0.00 C ATOM 0 H LEU A 50 -2.684 -3.943 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.116 -4.398 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.436 -4.357 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.962 -6.039 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.768 -5.813 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.691 -4.225 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.165 -3.365 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.341 -3.602 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.068 -6.466 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.755 -5.904 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.844 -7.283 -4.042 1.00 0.00 H new ATOM 948 N VAL A 51 -2.477 -6.334 -2.342 1.00 0.00 N ATOM 949 CA VAL A 51 -1.511 -7.426 -2.155 1.00 0.00 C ATOM 950 C VAL A 51 -2.147 -8.573 -1.359 1.00 0.00 C ATOM 951 O VAL A 51 -3.079 -8.299 -0.608 1.00 0.00 O ATOM 952 CB VAL A 51 -0.242 -6.876 -1.454 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.329 -5.635 -2.165 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.482 -6.505 0.016 1.00 0.00 C ATOM 0 H VAL A 51 -2.847 -5.962 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.220 -7.828 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 51 0.473 -7.697 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.216 -5.288 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.596 -5.893 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.420 -4.844 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.443 -6.127 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.253 -5.736 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.807 -7.388 0.566 1.00 0.00 H new ATOM 964 N PRO A 52 -1.691 -9.831 -1.495 1.00 0.00 N ATOM 965 CA PRO A 52 -2.242 -10.959 -0.746 1.00 0.00 C ATOM 966 C PRO A 52 -1.801 -10.861 0.721 1.00 0.00 C ATOM 967 O PRO A 52 -0.712 -10.357 1.011 1.00 0.00 O ATOM 968 CB PRO A 52 -1.691 -12.207 -1.437 1.00 0.00 C ATOM 969 CG PRO A 52 -0.340 -11.723 -1.937 1.00 0.00 C ATOM 970 CD PRO A 52 -0.606 -10.279 -2.356 1.00 0.00 C ATOM 0 HA PRO A 52 -3.332 -10.980 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.594 -13.046 -0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.333 -12.538 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.420 -11.780 -1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.016 -12.324 -2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.282 -9.660 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.886 -10.218 -3.408 1.00 0.00 H new ATOM 978 N SER A 53 -2.625 -11.340 1.653 1.00 0.00 N ATOM 979 CA SER A 53 -2.299 -11.284 3.079 1.00 0.00 C ATOM 980 C SER A 53 -1.157 -12.235 3.482 1.00 0.00 C ATOM 981 O SER A 53 -0.332 -11.915 4.335 1.00 0.00 O ATOM 982 CB SER A 53 -3.571 -11.587 3.886 1.00 0.00 C ATOM 983 OG SER A 53 -4.295 -12.714 3.405 1.00 0.00 O ATOM 0 H SER A 53 -3.525 -11.772 1.446 1.00 0.00 H new ATOM 0 HA SER A 53 -1.936 -10.280 3.299 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.299 -11.758 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.221 -10.712 3.866 1.00 0.00 H new ATOM 0 HG SER A 53 -5.090 -12.854 3.961 1.00 0.00 H new ATOM 989 N ASP A 54 -1.054 -13.383 2.825 1.00 0.00 N ATOM 990 CA ASP A 54 -0.065 -14.428 3.099 1.00 0.00 C ATOM 991 C ASP A 54 1.361 -14.115 2.640 1.00 0.00 C ATOM 992 O ASP A 54 2.267 -14.912 2.899 1.00 0.00 O ATOM 993 CB ASP A 54 -0.543 -15.729 2.442 1.00 0.00 C ATOM 994 CG ASP A 54 -1.855 -16.197 3.046 1.00 0.00 C ATOM 995 OD1 ASP A 54 -1.872 -16.563 4.239 1.00 0.00 O ATOM 996 OD2 ASP A 54 -2.878 -16.105 2.329 1.00 0.00 O ATOM 0 H ASP A 54 -1.679 -13.625 2.056 1.00 0.00 H new ATOM 0 HA ASP A 54 0.000 -14.511 4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.667 -15.574 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.215 -16.503 2.567 1.00 0.00 H new ATOM 1001 N LEU A 55 1.601 -13.002 1.950 1.00 0.00 N ATOM 1002 CA LEU A 55 2.935 -12.648 1.473 1.00 0.00 C ATOM 1003 C LEU A 55 3.845 -12.201 2.617 1.00 0.00 C ATOM 1004 O LEU A 55 3.515 -11.284 3.369 1.00 0.00 O ATOM 1005 CB LEU A 55 2.801 -11.562 0.402 1.00 0.00 C ATOM 1006 CG LEU A 55 4.121 -11.057 -0.200 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.901 -12.177 -0.899 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.791 -9.966 -1.225 1.00 0.00 C ATOM 0 H LEU A 55 0.879 -12.323 1.707 1.00 0.00 H new ATOM 0 HA LEU A 55 3.406 -13.529 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.178 -11.948 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.272 -10.713 0.835 1.00 0.00 H new ATOM 0 HG LEU A 55 4.745 -10.674 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.827 -11.774 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.134 -12.962 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.297 -12.592 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.714 -9.591 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.157 -10.382 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.267 -9.148 -0.730 1.00 0.00 H new ATOM 1020 N THR A 56 5.010 -12.830 2.736 1.00 0.00 N ATOM 1021 CA THR A 56 6.007 -12.523 3.752 1.00 0.00 C ATOM 1022 C THR A 56 6.609 -11.142 3.438 1.00 0.00 C ATOM 1023 O THR A 56 6.898 -10.831 2.281 1.00 0.00 O ATOM 1024 CB THR A 56 7.023 -13.677 3.791 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.322 -14.905 3.858 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.942 -13.619 5.009 1.00 0.00 C ATOM 0 H THR A 56 5.292 -13.586 2.112 1.00 0.00 H new ATOM 0 HA THR A 56 5.587 -12.450 4.755 1.00 0.00 H new ATOM 0 HB THR A 56 7.631 -13.590 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.962 -15.646 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.636 -14.459 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.502 -12.684 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.344 -13.673 5.919 1.00 0.00 H new ATOM 1034 N VAL A 57 6.818 -10.314 4.463 1.00 0.00 N ATOM 1035 CA VAL A 57 7.362 -8.963 4.364 1.00 0.00 C ATOM 1036 C VAL A 57 8.692 -8.963 3.598 1.00 0.00 C ATOM 1037 O VAL A 57 8.886 -8.121 2.722 1.00 0.00 O ATOM 1038 CB VAL A 57 7.482 -8.354 5.780 1.00 0.00 C ATOM 1039 CG1 VAL A 57 8.148 -6.975 5.768 1.00 0.00 C ATOM 1040 CG2 VAL A 57 6.123 -8.136 6.458 1.00 0.00 C ATOM 0 H VAL A 57 6.603 -10.580 5.424 1.00 0.00 H new ATOM 0 HA VAL A 57 6.684 -8.332 3.789 1.00 0.00 H new ATOM 0 HB VAL A 57 8.079 -9.086 6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.208 -6.591 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.152 -7.059 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.558 -6.292 5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.275 -7.707 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.521 -7.455 5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.606 -9.091 6.552 1.00 0.00 H new ATOM 1050 N GLY A 58 9.595 -9.914 3.858 1.00 0.00 N ATOM 1051 CA GLY A 58 10.879 -9.975 3.164 1.00 0.00 C ATOM 1052 C GLY A 58 10.701 -10.145 1.654 1.00 0.00 C ATOM 1053 O GLY A 58 11.402 -9.496 0.874 1.00 0.00 O ATOM 0 H GLY A 58 9.457 -10.653 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.443 -9.064 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.465 -10.806 3.557 1.00 0.00 H new ATOM 1057 N GLN A 59 9.771 -11.020 1.242 1.00 0.00 N ATOM 1058 CA GLN A 59 9.461 -11.280 -0.160 1.00 0.00 C ATOM 1059 C GLN A 59 8.867 -10.012 -0.774 1.00 0.00 C ATOM 1060 O GLN A 59 9.326 -9.586 -1.837 1.00 0.00 O ATOM 1061 CB GLN A 59 8.470 -12.449 -0.283 1.00 0.00 C ATOM 1062 CG GLN A 59 9.083 -13.819 0.033 1.00 0.00 C ATOM 1063 CD GLN A 59 9.935 -14.348 -1.117 1.00 0.00 C ATOM 1064 OE1 GLN A 59 9.459 -14.531 -2.236 1.00 0.00 O ATOM 1065 NE2 GLN A 59 11.202 -14.642 -0.898 1.00 0.00 N ATOM 0 H GLN A 59 9.208 -11.572 1.889 1.00 0.00 H new ATOM 0 HA GLN A 59 10.372 -11.554 -0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.631 -12.273 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.068 -12.467 -1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.695 -13.743 0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.286 -14.530 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.607 -14.494 0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.776 -15.017 -1.653 1.00 0.00 H new ATOM 1074 N PHE A 60 7.917 -9.370 -0.090 1.00 0.00 N ATOM 1075 CA PHE A 60 7.268 -8.151 -0.558 1.00 0.00 C ATOM 1076 C PHE A 60 8.324 -7.068 -0.797 1.00 0.00 C ATOM 1077 O PHE A 60 8.353 -6.462 -1.873 1.00 0.00 O ATOM 1078 CB PHE A 60 6.235 -7.714 0.497 1.00 0.00 C ATOM 1079 CG PHE A 60 5.799 -6.266 0.414 1.00 0.00 C ATOM 1080 CD1 PHE A 60 5.209 -5.774 -0.763 1.00 0.00 C ATOM 1081 CD2 PHE A 60 6.020 -5.402 1.504 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.840 -4.421 -0.846 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.648 -4.049 1.418 1.00 0.00 C ATOM 1084 CZ PHE A 60 5.054 -3.562 0.243 1.00 0.00 C ATOM 0 H PHE A 60 7.575 -9.690 0.816 1.00 0.00 H new ATOM 0 HA PHE A 60 6.752 -8.323 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.353 -8.348 0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.653 -7.894 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.040 -6.434 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.476 -5.779 2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.390 -4.041 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.819 -3.386 2.253 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.761 -2.525 0.177 1.00 0.00 H new ATOM 1094 N TYR A 61 9.243 -6.882 0.155 1.00 0.00 N ATOM 1095 CA TYR A 61 10.312 -5.901 0.042 1.00 0.00 C ATOM 1096 C TYR A 61 11.156 -6.216 -1.190 1.00 0.00 C ATOM 1097 O TYR A 61 11.493 -5.302 -1.941 1.00 0.00 O ATOM 1098 CB TYR A 61 11.208 -5.924 1.290 1.00 0.00 C ATOM 1099 CG TYR A 61 10.697 -5.276 2.566 1.00 0.00 C ATOM 1100 CD1 TYR A 61 9.387 -4.766 2.686 1.00 0.00 C ATOM 1101 CD2 TYR A 61 11.577 -5.192 3.662 1.00 0.00 C ATOM 1102 CE1 TYR A 61 8.952 -4.212 3.902 1.00 0.00 C ATOM 1103 CE2 TYR A 61 11.152 -4.633 4.878 1.00 0.00 C ATOM 1104 CZ TYR A 61 9.829 -4.158 5.008 1.00 0.00 C ATOM 1105 OH TYR A 61 9.399 -3.630 6.186 1.00 0.00 O ATOM 0 H TYR A 61 9.261 -7.412 1.026 1.00 0.00 H new ATOM 0 HA TYR A 61 9.868 -4.910 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.434 -6.966 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.151 -5.443 1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.716 -4.801 1.840 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.588 -5.561 3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.947 -3.827 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.835 -4.567 5.712 1.00 0.00 H new ATOM 0 HH TYR A 61 10.123 -3.668 6.845 1.00 0.00 H new ATOM 1115 N PHE A 62 11.483 -7.493 -1.416 1.00 0.00 N ATOM 1116 CA PHE A 62 12.288 -7.894 -2.557 1.00 0.00 C ATOM 1117 C PHE A 62 11.598 -7.544 -3.869 1.00 0.00 C ATOM 1118 O PHE A 62 12.233 -6.988 -4.765 1.00 0.00 O ATOM 1119 CB PHE A 62 12.636 -9.387 -2.524 1.00 0.00 C ATOM 1120 CG PHE A 62 13.822 -9.649 -3.424 1.00 0.00 C ATOM 1121 CD1 PHE A 62 13.658 -9.732 -4.822 1.00 0.00 C ATOM 1122 CD2 PHE A 62 15.113 -9.638 -2.873 1.00 0.00 C ATOM 1123 CE1 PHE A 62 14.783 -9.780 -5.662 1.00 0.00 C ATOM 1124 CE2 PHE A 62 16.232 -9.712 -3.712 1.00 0.00 C ATOM 1125 CZ PHE A 62 16.073 -9.782 -5.104 1.00 0.00 C ATOM 0 H PHE A 62 11.196 -8.265 -0.815 1.00 0.00 H new ATOM 0 HA PHE A 62 13.221 -7.334 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.865 -9.695 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.780 -9.978 -2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.666 -9.759 -5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.243 -9.573 -1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.657 -9.815 -6.734 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.224 -9.715 -3.284 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.940 -9.837 -5.746 1.00 0.00 H new ATOM 1135 N LEU A 63 10.308 -7.863 -4.006 1.00 0.00 N ATOM 1136 CA LEU A 63 9.580 -7.569 -5.234 1.00 0.00 C ATOM 1137 C LEU A 63 9.674 -6.079 -5.530 1.00 0.00 C ATOM 1138 O LEU A 63 10.020 -5.718 -6.657 1.00 0.00 O ATOM 1139 CB LEU A 63 8.115 -8.049 -5.192 1.00 0.00 C ATOM 1140 CG LEU A 63 7.859 -9.494 -5.672 1.00 0.00 C ATOM 1141 CD1 LEU A 63 8.448 -9.792 -7.058 1.00 0.00 C ATOM 1142 CD2 LEU A 63 8.342 -10.556 -4.681 1.00 0.00 C ATOM 0 H LEU A 63 9.753 -8.322 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 63 10.047 -8.128 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.754 -7.959 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.515 -7.374 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 63 6.773 -9.554 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.230 -10.824 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.005 -9.121 -7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.527 -9.643 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.132 -11.548 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.415 -10.447 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.823 -10.430 -3.731 1.00 0.00 H new ATOM 1154 N ILE A 64 9.415 -5.211 -4.548 1.00 0.00 N ATOM 1155 CA ILE A 64 9.498 -3.768 -4.765 1.00 0.00 C ATOM 1156 C ILE A 64 10.956 -3.351 -5.033 1.00 0.00 C ATOM 1157 O ILE A 64 11.167 -2.518 -5.908 1.00 0.00 O ATOM 1158 CB ILE A 64 8.799 -3.001 -3.622 1.00 0.00 C ATOM 1159 CG1 ILE A 64 7.332 -3.449 -3.404 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.823 -1.484 -3.883 1.00 0.00 C ATOM 1161 CD1 ILE A 64 6.470 -3.565 -4.671 1.00 0.00 C ATOM 0 H ILE A 64 9.148 -5.482 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 64 8.948 -3.492 -5.664 1.00 0.00 H new ATOM 0 HB ILE A 64 9.361 -3.235 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.339 -4.417 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.854 -2.742 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.324 -0.966 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.856 -1.143 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.306 -1.267 -4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.464 -3.885 -4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.420 -2.596 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.913 -4.296 -5.347 1.00 0.00 H new ATOM 1173 N ARG A 65 11.968 -3.923 -4.361 1.00 0.00 N ATOM 1174 CA ARG A 65 13.381 -3.581 -4.601 1.00 0.00 C ATOM 1175 C ARG A 65 13.693 -3.811 -6.078 1.00 0.00 C ATOM 1176 O ARG A 65 14.165 -2.905 -6.769 1.00 0.00 O ATOM 1177 CB ARG A 65 14.316 -4.466 -3.755 1.00 0.00 C ATOM 1178 CG ARG A 65 14.525 -3.995 -2.314 1.00 0.00 C ATOM 1179 CD ARG A 65 15.279 -5.069 -1.518 1.00 0.00 C ATOM 1180 NE ARG A 65 16.058 -4.472 -0.425 1.00 0.00 N ATOM 1181 CZ ARG A 65 16.325 -5.010 0.771 1.00 0.00 C ATOM 1182 NH1 ARG A 65 15.788 -6.163 1.169 1.00 0.00 N ATOM 1183 NH2 ARG A 65 17.177 -4.375 1.564 1.00 0.00 N ATOM 0 H ARG A 65 11.832 -4.632 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 65 13.542 -2.539 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.913 -5.479 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.287 -4.518 -4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.088 -3.061 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.562 -3.791 -1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.569 -5.789 -1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.944 -5.619 -2.184 1.00 0.00 H new ATOM 0 HE ARG A 65 16.439 -3.542 -0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 65 15.149 -6.667 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.016 -6.541 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.607 -3.503 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.402 -4.758 2.482 1.00 0.00 H new ATOM 1197 N LYS A 66 13.359 -5.003 -6.584 1.00 0.00 N ATOM 1198 CA LYS A 66 13.579 -5.358 -7.979 1.00 0.00 C ATOM 1199 C LYS A 66 12.750 -4.443 -8.882 1.00 0.00 C ATOM 1200 O LYS A 66 13.235 -4.036 -9.932 1.00 0.00 O ATOM 1201 CB LYS A 66 13.256 -6.851 -8.178 1.00 0.00 C ATOM 1202 CG LYS A 66 13.522 -7.325 -9.615 1.00 0.00 C ATOM 1203 CD LYS A 66 13.487 -8.858 -9.686 1.00 0.00 C ATOM 1204 CE LYS A 66 13.477 -9.400 -11.121 1.00 0.00 C ATOM 1205 NZ LYS A 66 14.649 -8.979 -11.910 1.00 0.00 N ATOM 0 H LYS A 66 12.929 -5.745 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 66 14.623 -5.211 -8.255 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.855 -7.444 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.210 -7.029 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.774 -6.906 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.493 -6.961 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.353 -9.259 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.601 -9.219 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.440 -10.489 -11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.570 -9.064 -11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.583 -9.377 -12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.674 -7.941 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.517 -9.322 -11.452 1.00 0.00 H new ATOM 1219 N ARG A 67 11.533 -4.066 -8.471 1.00 0.00 N ATOM 1220 CA ARG A 67 10.653 -3.197 -9.253 1.00 0.00 C ATOM 1221 C ARG A 67 11.299 -1.824 -9.465 1.00 0.00 C ATOM 1222 O ARG A 67 11.224 -1.299 -10.572 1.00 0.00 O ATOM 1223 CB ARG A 67 9.279 -3.065 -8.566 1.00 0.00 C ATOM 1224 CG ARG A 67 8.143 -2.518 -9.447 1.00 0.00 C ATOM 1225 CD ARG A 67 7.321 -3.609 -10.153 1.00 0.00 C ATOM 1226 NE ARG A 67 8.024 -4.199 -11.300 1.00 0.00 N ATOM 1227 CZ ARG A 67 7.479 -4.897 -12.301 1.00 0.00 C ATOM 1228 NH1 ARG A 67 6.181 -5.175 -12.309 1.00 0.00 N ATOM 1229 NH2 ARG A 67 8.252 -5.313 -13.297 1.00 0.00 N ATOM 0 H ARG A 67 11.131 -4.359 -7.580 1.00 0.00 H new ATOM 0 HA ARG A 67 10.499 -3.649 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.984 -4.046 -8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.388 -2.413 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.476 -1.916 -8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.568 -1.853 -10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.079 -4.395 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.376 -3.184 -10.491 1.00 0.00 H new ATOM 0 HE ARG A 67 9.034 -4.062 -11.336 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.586 -4.855 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.778 -5.709 -13.079 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.249 -5.099 -13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.849 -5.847 -14.067 1.00 0.00 H new ATOM 1243 N ILE A 68 11.936 -1.248 -8.439 1.00 0.00 N ATOM 1244 CA ILE A 68 12.593 0.061 -8.541 1.00 0.00 C ATOM 1245 C ILE A 68 14.017 -0.035 -9.121 1.00 0.00 C ATOM 1246 O ILE A 68 14.656 0.995 -9.327 1.00 0.00 O ATOM 1247 CB ILE A 68 12.542 0.832 -7.199 1.00 0.00 C ATOM 1248 CG1 ILE A 68 13.451 0.241 -6.104 1.00 0.00 C ATOM 1249 CG2 ILE A 68 11.088 0.946 -6.704 1.00 0.00 C ATOM 1250 CD1 ILE A 68 13.610 1.164 -4.888 1.00 0.00 C ATOM 0 H ILE A 68 12.011 -1.675 -7.516 1.00 0.00 H new ATOM 0 HA ILE A 68 12.022 0.648 -9.261 1.00 0.00 H new ATOM 0 HB ILE A 68 12.938 1.827 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.040 -0.714 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 68 14.434 0.037 -6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 68 11.067 1.490 -5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.492 1.480 -7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.674 -0.052 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.261 0.690 -4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.048 2.110 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.633 1.348 -4.441 1.00 0.00 H new ATOM 1262 N HIS A 69 14.517 -1.245 -9.398 1.00 0.00 N ATOM 1263 CA HIS A 69 15.839 -1.531 -9.952 1.00 0.00 C ATOM 1264 C HIS A 69 17.000 -0.821 -9.229 1.00 0.00 C ATOM 1265 O HIS A 69 17.921 -0.292 -9.859 1.00 0.00 O ATOM 1266 CB HIS A 69 15.853 -1.270 -11.466 1.00 0.00 C ATOM 1267 CG HIS A 69 14.782 -1.966 -12.262 1.00 0.00 C ATOM 1268 ND1 HIS A 69 14.939 -3.133 -12.974 1.00 0.00 N ATOM 1269 CD2 HIS A 69 13.543 -1.462 -12.547 1.00 0.00 C ATOM 1270 CE1 HIS A 69 13.823 -3.315 -13.696 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.935 -2.333 -13.461 1.00 0.00 N ATOM 0 H HIS A 69 13.978 -2.095 -9.231 1.00 0.00 H new ATOM 0 HA HIS A 69 16.021 -2.591 -9.776 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.762 -0.196 -11.631 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.824 -1.571 -11.858 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.112 -0.558 -12.142 1.00 0.00 H new ATOM 0 HE1 HIS A 69 13.660 -4.139 -14.375 1.00 0.00 H new ATOM 0 HE2 HIS A 69 12.004 -2.240 -13.867 1.00 0.00 H new ATOM 1279 N LEU A 70 16.939 -0.748 -7.899 1.00 0.00 N ATOM 1280 CA LEU A 70 17.987 -0.115 -7.097 1.00 0.00 C ATOM 1281 C LEU A 70 19.282 -0.943 -7.110 1.00 0.00 C ATOM 1282 O LEU A 70 19.272 -2.132 -7.458 1.00 0.00 O ATOM 1283 CB LEU A 70 17.513 0.199 -5.666 1.00 0.00 C ATOM 1284 CG LEU A 70 16.895 -0.908 -4.778 1.00 0.00 C ATOM 1285 CD1 LEU A 70 17.529 -2.300 -4.836 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.928 -0.427 -3.322 1.00 0.00 C ATOM 0 H LEU A 70 16.166 -1.124 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 70 18.214 0.844 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 70 18.369 0.603 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.777 0.999 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 70 15.893 -1.051 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.994 -2.972 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.471 -2.684 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.573 -2.237 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.497 -1.192 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.960 -0.240 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.351 0.493 -3.230 1.00 0.00 H new ATOM 1298 N ARG A 71 20.430 -0.305 -6.856 1.00 0.00 N ATOM 1299 CA ARG A 71 21.712 -1.015 -6.808 1.00 0.00 C ATOM 1300 C ARG A 71 21.665 -1.900 -5.555 1.00 0.00 C ATOM 1301 O ARG A 71 20.947 -1.586 -4.606 1.00 0.00 O ATOM 1302 CB ARG A 71 22.895 -0.038 -6.710 1.00 0.00 C ATOM 1303 CG ARG A 71 23.009 0.976 -7.862 1.00 0.00 C ATOM 1304 CD ARG A 71 23.515 0.335 -9.166 1.00 0.00 C ATOM 1305 NE ARG A 71 24.876 -0.221 -9.023 1.00 0.00 N ATOM 1306 CZ ARG A 71 26.013 0.485 -8.942 1.00 0.00 C ATOM 1307 NH1 ARG A 71 26.024 1.797 -9.146 1.00 0.00 N ATOM 1308 NH2 ARG A 71 27.135 -0.144 -8.619 1.00 0.00 N ATOM 0 H ARG A 71 20.497 0.698 -6.681 1.00 0.00 H new ATOM 0 HA ARG A 71 21.857 -1.598 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.815 0.511 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.818 -0.615 -6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.034 1.430 -8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 71 23.686 1.778 -7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 71 22.831 -0.458 -9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 71 23.511 1.081 -9.961 1.00 0.00 H new ATOM 0 HE ARG A 71 24.959 -1.237 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 71 25.157 2.286 -9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 71 26.900 2.316 -9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 71 27.123 -1.148 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 71 28.010 0.376 -8.552 1.00 0.00 H new ATOM 1322 N PRO A 72 22.461 -2.971 -5.464 1.00 0.00 N ATOM 1323 CA PRO A 72 22.423 -3.836 -4.295 1.00 0.00 C ATOM 1324 C PRO A 72 22.917 -3.116 -3.037 1.00 0.00 C ATOM 1325 O PRO A 72 22.441 -3.421 -1.942 1.00 0.00 O ATOM 1326 CB PRO A 72 23.227 -5.072 -4.677 1.00 0.00 C ATOM 1327 CG PRO A 72 24.118 -4.626 -5.831 1.00 0.00 C ATOM 1328 CD PRO A 72 23.366 -3.466 -6.475 1.00 0.00 C ATOM 0 HA PRO A 72 21.408 -4.129 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.821 -5.431 -3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 72 22.573 -5.890 -4.978 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.100 -4.313 -5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 72 24.280 -5.436 -6.542 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.055 -2.686 -6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 72 22.821 -3.797 -7.359 1.00 0.00 H new ATOM 1336 N GLU A 73 23.820 -2.144 -3.180 1.00 0.00 N ATOM 1337 CA GLU A 73 24.350 -1.371 -2.064 1.00 0.00 C ATOM 1338 C GLU A 73 23.373 -0.265 -1.637 1.00 0.00 C ATOM 1339 O GLU A 73 23.524 0.281 -0.540 1.00 0.00 O ATOM 1340 CB GLU A 73 25.683 -0.715 -2.471 1.00 0.00 C ATOM 1341 CG GLU A 73 26.843 -1.705 -2.647 1.00 0.00 C ATOM 1342 CD GLU A 73 26.695 -2.631 -3.858 1.00 0.00 C ATOM 1343 OE1 GLU A 73 26.352 -2.148 -4.963 1.00 0.00 O ATOM 1344 OE2 GLU A 73 26.973 -3.847 -3.710 1.00 0.00 O ATOM 0 H GLU A 73 24.205 -1.872 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 73 24.499 -2.055 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.538 -0.173 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.959 0.020 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.773 -1.145 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.928 -2.313 -1.746 1.00 0.00 H new ATOM 1351 N ASP A 74 22.387 0.077 -2.472 1.00 0.00 N ATOM 1352 CA ASP A 74 21.415 1.129 -2.196 1.00 0.00 C ATOM 1353 C ASP A 74 20.532 0.751 -1.021 1.00 0.00 C ATOM 1354 O ASP A 74 19.890 -0.308 -1.000 1.00 0.00 O ATOM 1355 CB ASP A 74 20.531 1.462 -3.403 1.00 0.00 C ATOM 1356 CG ASP A 74 21.252 2.165 -4.551 1.00 0.00 C ATOM 1357 OD1 ASP A 74 22.391 2.647 -4.365 1.00 0.00 O ATOM 1358 OD2 ASP A 74 20.659 2.232 -5.653 1.00 0.00 O ATOM 0 H ASP A 74 22.243 -0.380 -3.373 1.00 0.00 H new ATOM 0 HA ASP A 74 21.997 2.019 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.092 0.538 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.707 2.093 -3.069 1.00 0.00 H new ATOM 1363 N ALA A 75 20.541 1.610 -0.007 1.00 0.00 N ATOM 1364 CA ALA A 75 19.747 1.435 1.186 1.00 0.00 C ATOM 1365 C ALA A 75 18.268 1.579 0.809 1.00 0.00 C ATOM 1366 O ALA A 75 17.919 2.218 -0.182 1.00 0.00 O ATOM 1367 CB ALA A 75 20.148 2.512 2.189 1.00 0.00 C ATOM 0 H ALA A 75 21.111 2.456 0.001 1.00 0.00 H new ATOM 0 HA ALA A 75 19.909 0.452 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.560 2.399 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.207 2.412 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.964 3.496 1.759 1.00 0.00 H new ATOM 1373 N LEU A 76 17.384 0.956 1.581 1.00 0.00 N ATOM 1374 CA LEU A 76 15.948 1.021 1.353 1.00 0.00 C ATOM 1375 C LEU A 76 15.275 0.620 2.652 1.00 0.00 C ATOM 1376 O LEU A 76 15.624 -0.414 3.233 1.00 0.00 O ATOM 1377 CB LEU A 76 15.514 0.099 0.198 1.00 0.00 C ATOM 1378 CG LEU A 76 14.064 0.360 -0.265 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.898 1.712 -0.972 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.631 -0.730 -1.248 1.00 0.00 C ATOM 0 H LEU A 76 17.647 0.389 2.387 1.00 0.00 H new ATOM 0 HA LEU A 76 15.658 2.030 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.190 0.238 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.608 -0.940 0.514 1.00 0.00 H new ATOM 0 HG LEU A 76 13.450 0.360 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.859 1.839 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.179 2.516 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.539 1.743 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.607 -0.542 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.293 -0.723 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.684 -1.703 -0.759 1.00 0.00 H new ATOM 1392 N PHE A 77 14.323 1.419 3.105 1.00 0.00 N ATOM 1393 CA PHE A 77 13.567 1.222 4.325 1.00 0.00 C ATOM 1394 C PHE A 77 12.091 1.408 3.990 1.00 0.00 C ATOM 1395 O PHE A 77 11.739 2.291 3.203 1.00 0.00 O ATOM 1396 CB PHE A 77 14.035 2.238 5.378 1.00 0.00 C ATOM 1397 CG PHE A 77 15.498 2.134 5.779 1.00 0.00 C ATOM 1398 CD1 PHE A 77 16.483 2.810 5.034 1.00 0.00 C ATOM 1399 CD2 PHE A 77 15.882 1.393 6.914 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.835 2.740 5.414 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.234 1.333 7.298 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.215 2.002 6.548 1.00 0.00 C ATOM 0 H PHE A 77 14.045 2.263 2.605 1.00 0.00 H new ATOM 0 HA PHE A 77 13.721 0.223 4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.851 3.242 4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.422 2.119 6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.199 3.386 4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.135 0.869 7.492 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.585 3.256 4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.519 0.770 8.174 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.253 1.950 6.840 1.00 0.00 H new ATOM 1412 N PHE A 78 11.246 0.560 4.567 1.00 0.00 N ATOM 1413 CA PHE A 78 9.800 0.568 4.404 1.00 0.00 C ATOM 1414 C PHE A 78 9.200 0.781 5.783 1.00 0.00 C ATOM 1415 O PHE A 78 9.706 0.229 6.770 1.00 0.00 O ATOM 1416 CB PHE A 78 9.298 -0.761 3.839 1.00 0.00 C ATOM 1417 CG PHE A 78 9.543 -0.971 2.364 1.00 0.00 C ATOM 1418 CD1 PHE A 78 8.581 -0.544 1.430 1.00 0.00 C ATOM 1419 CD2 PHE A 78 10.707 -1.624 1.926 1.00 0.00 C ATOM 1420 CE1 PHE A 78 8.792 -0.758 0.058 1.00 0.00 C ATOM 1421 CE2 PHE A 78 10.911 -1.844 0.554 1.00 0.00 C ATOM 1422 CZ PHE A 78 9.963 -1.398 -0.380 1.00 0.00 C ATOM 0 H PHE A 78 11.566 -0.183 5.188 1.00 0.00 H new ATOM 0 HA PHE A 78 9.510 1.355 3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.774 -1.573 4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.227 -0.835 4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.681 -0.052 1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.443 -1.956 2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.054 -0.431 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.799 -2.357 0.217 1.00 0.00 H new ATOM 0 HZ PHE A 78 10.134 -1.547 -1.436 1.00 0.00 H new ATOM 1432 N PHE A 79 8.095 1.509 5.856 1.00 0.00 N ATOM 1433 CA PHE A 79 7.409 1.818 7.093 1.00 0.00 C ATOM 1434 C PHE A 79 5.922 1.635 6.832 1.00 0.00 C ATOM 1435 O PHE A 79 5.380 2.273 5.929 1.00 0.00 O ATOM 1436 CB PHE A 79 7.724 3.271 7.508 1.00 0.00 C ATOM 1437 CG PHE A 79 9.155 3.732 7.258 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.535 4.215 5.989 1.00 0.00 C ATOM 1439 CD2 PHE A 79 10.118 3.647 8.277 1.00 0.00 C ATOM 1440 CE1 PHE A 79 10.871 4.564 5.732 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.455 4.003 8.024 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.834 4.455 6.748 1.00 0.00 C ATOM 0 H PHE A 79 7.643 1.909 5.034 1.00 0.00 H new ATOM 0 HA PHE A 79 7.731 1.166 7.905 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.048 3.937 6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.506 3.382 8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 79 8.794 4.317 5.210 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.830 3.306 9.261 1.00 0.00 H new ATOM 0 HE1 PHE A 79 11.158 4.916 4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.191 3.929 8.811 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.863 4.718 6.550 1.00 0.00 H new ATOM 1452 N VAL A 80 5.269 0.728 7.551 1.00 0.00 N ATOM 1453 CA VAL A 80 3.839 0.510 7.402 1.00 0.00 C ATOM 1454 C VAL A 80 3.280 1.299 8.571 1.00 0.00 C ATOM 1455 O VAL A 80 3.649 1.031 9.713 1.00 0.00 O ATOM 1456 CB VAL A 80 3.461 -0.984 7.367 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.084 -1.839 8.477 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.938 -1.139 7.359 1.00 0.00 C ATOM 0 H VAL A 80 5.713 0.129 8.247 1.00 0.00 H new ATOM 0 HA VAL A 80 3.425 0.845 6.451 1.00 0.00 H new ATOM 0 HB VAL A 80 3.889 -1.371 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.758 -2.873 8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.171 -1.792 8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.767 -1.461 9.449 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.680 -2.198 7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.521 -0.685 8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.527 -0.645 6.479 1.00 0.00 H new ATOM 1468 N ASN A 81 2.414 2.269 8.287 1.00 0.00 N ATOM 1469 CA ASN A 81 1.778 3.170 9.247 1.00 0.00 C ATOM 1470 C ASN A 81 2.657 3.458 10.474 1.00 0.00 C ATOM 1471 O ASN A 81 2.435 2.941 11.570 1.00 0.00 O ATOM 1472 CB ASN A 81 0.377 2.694 9.630 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.361 3.795 10.385 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.065 4.975 10.211 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.355 3.451 11.177 1.00 0.00 N ATOM 0 H ASN A 81 2.121 2.458 7.329 1.00 0.00 H new ATOM 0 HA ASN A 81 1.661 4.127 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.180 2.420 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.445 1.800 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.895 4.170 11.659 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.585 2.466 11.308 1.00 0.00 H new ATOM 1482 N ASN A 82 3.728 4.223 10.244 1.00 0.00 N ATOM 1483 CA ASN A 82 4.734 4.678 11.211 1.00 0.00 C ATOM 1484 C ASN A 82 5.454 3.578 12.009 1.00 0.00 C ATOM 1485 O ASN A 82 6.237 3.904 12.908 1.00 0.00 O ATOM 1486 CB ASN A 82 4.101 5.714 12.162 1.00 0.00 C ATOM 1487 CG ASN A 82 3.474 6.890 11.426 1.00 0.00 C ATOM 1488 OD1 ASN A 82 4.166 7.632 10.725 1.00 0.00 O ATOM 1489 ND2 ASN A 82 2.171 7.081 11.519 1.00 0.00 N ATOM 0 H ASN A 82 3.931 4.567 9.305 1.00 0.00 H new ATOM 0 HA ASN A 82 5.526 5.124 10.610 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.340 5.224 12.769 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.864 6.085 12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.730 7.846 11.009 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.605 6.463 12.101 1.00 0.00 H new ATOM 1496 N THR A 83 5.291 2.301 11.669 1.00 0.00 N ATOM 1497 CA THR A 83 5.880 1.158 12.362 1.00 0.00 C ATOM 1498 C THR A 83 6.799 0.365 11.416 1.00 0.00 C ATOM 1499 O THR A 83 6.634 0.396 10.192 1.00 0.00 O ATOM 1500 CB THR A 83 4.711 0.340 12.952 1.00 0.00 C ATOM 1501 OG1 THR A 83 3.778 1.204 13.578 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.135 -0.650 14.038 1.00 0.00 C ATOM 0 H THR A 83 4.721 2.023 10.870 1.00 0.00 H new ATOM 0 HA THR A 83 6.532 1.462 13.181 1.00 0.00 H new ATOM 0 HB THR A 83 4.296 -0.203 12.103 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.237 1.652 12.894 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.259 -1.187 14.403 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.850 -1.361 13.623 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.599 -0.109 14.863 1.00 0.00 H new ATOM 1510 N ILE A 84 7.797 -0.340 11.967 1.00 0.00 N ATOM 1511 CA ILE A 84 8.771 -1.132 11.220 1.00 0.00 C ATOM 1512 C ILE A 84 8.684 -2.602 11.682 1.00 0.00 C ATOM 1513 O ILE A 84 9.283 -2.954 12.703 1.00 0.00 O ATOM 1514 CB ILE A 84 10.183 -0.508 11.355 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.145 0.995 10.998 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.181 -1.284 10.476 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.512 1.683 10.896 1.00 0.00 C ATOM 0 H ILE A 84 7.949 -0.373 12.975 1.00 0.00 H new ATOM 0 HA ILE A 84 8.548 -1.123 10.153 1.00 0.00 H new ATOM 0 HB ILE A 84 10.518 -0.585 12.389 1.00 0.00 H new ATOM 0 HG12 ILE A 84 9.627 1.112 10.046 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.551 1.515 11.750 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.172 -0.842 10.574 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.215 -2.325 10.796 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.863 -1.235 9.435 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.372 2.734 10.641 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.030 1.607 11.852 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.107 1.198 10.122 1.00 0.00 H new ATOM 1529 N PRO A 85 7.916 -3.463 10.984 1.00 0.00 N ATOM 1530 CA PRO A 85 7.759 -4.878 11.315 1.00 0.00 C ATOM 1531 C PRO A 85 8.979 -5.696 10.853 1.00 0.00 C ATOM 1532 O PRO A 85 9.760 -5.217 10.022 1.00 0.00 O ATOM 1533 CB PRO A 85 6.518 -5.316 10.527 1.00 0.00 C ATOM 1534 CG PRO A 85 6.592 -4.468 9.264 1.00 0.00 C ATOM 1535 CD PRO A 85 7.164 -3.149 9.780 1.00 0.00 C ATOM 0 HA PRO A 85 7.665 -5.034 12.390 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.541 -6.382 10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.600 -5.129 11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.235 -4.921 8.509 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.611 -4.334 8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.807 -2.687 9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.366 -2.439 9.996 1.00 0.00 H new ATOM 1543 N PRO A 86 9.154 -6.940 11.329 1.00 0.00 N ATOM 1544 CA PRO A 86 10.273 -7.776 10.915 1.00 0.00 C ATOM 1545 C PRO A 86 10.025 -8.372 9.527 1.00 0.00 C ATOM 1546 O PRO A 86 8.880 -8.616 9.139 1.00 0.00 O ATOM 1547 CB PRO A 86 10.353 -8.878 11.973 1.00 0.00 C ATOM 1548 CG PRO A 86 8.904 -9.038 12.437 1.00 0.00 C ATOM 1549 CD PRO A 86 8.328 -7.627 12.314 1.00 0.00 C ATOM 0 HA PRO A 86 11.201 -7.209 10.842 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.745 -9.806 11.556 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.009 -8.596 12.797 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.360 -9.749 11.815 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.850 -9.405 13.462 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.286 -7.657 11.996 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.354 -7.110 13.273 1.00 0.00 H new ATOM 1557 N THR A 87 11.088 -8.699 8.784 1.00 0.00 N ATOM 1558 CA THR A 87 10.935 -9.284 7.454 1.00 0.00 C ATOM 1559 C THR A 87 10.320 -10.693 7.500 1.00 0.00 C ATOM 1560 O THR A 87 9.904 -11.186 6.454 1.00 0.00 O ATOM 1561 CB THR A 87 12.223 -9.181 6.612 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.409 -9.533 7.300 1.00 0.00 O ATOM 1563 CG2 THR A 87 12.398 -7.740 6.118 1.00 0.00 C ATOM 0 H THR A 87 12.055 -8.569 9.081 1.00 0.00 H new ATOM 0 HA THR A 87 10.204 -8.676 6.920 1.00 0.00 H new ATOM 0 HB THR A 87 12.089 -9.895 5.800 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.176 -9.442 6.697 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.308 -7.667 5.523 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.541 -7.459 5.506 1.00 0.00 H new ATOM 0 HG23 THR A 87 12.469 -7.068 6.973 1.00 0.00 H new ATOM 1571 N SER A 88 10.274 -11.342 8.673 1.00 0.00 N ATOM 1572 CA SER A 88 9.685 -12.667 8.835 1.00 0.00 C ATOM 1573 C SER A 88 8.157 -12.564 8.982 1.00 0.00 C ATOM 1574 O SER A 88 7.492 -13.604 8.969 1.00 0.00 O ATOM 1575 CB SER A 88 10.288 -13.370 10.058 1.00 0.00 C ATOM 1576 OG SER A 88 10.031 -14.763 10.028 1.00 0.00 O ATOM 0 H SER A 88 10.649 -10.954 9.538 1.00 0.00 H new ATOM 0 HA SER A 88 9.909 -13.255 7.945 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.364 -13.197 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.872 -12.941 10.969 1.00 0.00 H new ATOM 0 HG SER A 88 9.134 -14.922 9.667 1.00 0.00 H new ATOM 1582 N ALA A 89 7.592 -11.371 9.223 1.00 0.00 N ATOM 1583 CA ALA A 89 6.145 -11.201 9.343 1.00 0.00 C ATOM 1584 C ALA A 89 5.517 -11.320 7.945 1.00 0.00 C ATOM 1585 O ALA A 89 6.227 -11.476 6.950 1.00 0.00 O ATOM 1586 CB ALA A 89 5.830 -9.848 9.995 1.00 0.00 C ATOM 0 H ALA A 89 8.123 -10.508 9.338 1.00 0.00 H new ATOM 0 HA ALA A 89 5.721 -11.976 9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.750 -9.728 10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.280 -9.809 10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.236 -9.045 9.380 1.00 0.00 H new ATOM 1592 N THR A 90 4.197 -11.209 7.845 1.00 0.00 N ATOM 1593 CA THR A 90 3.442 -11.291 6.598 1.00 0.00 C ATOM 1594 C THR A 90 2.521 -10.076 6.498 1.00 0.00 C ATOM 1595 O THR A 90 2.269 -9.387 7.493 1.00 0.00 O ATOM 1596 CB THR A 90 2.665 -12.627 6.557 1.00 0.00 C ATOM 1597 OG1 THR A 90 2.067 -12.854 7.821 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.610 -13.791 6.239 1.00 0.00 C ATOM 0 H THR A 90 3.601 -11.054 8.658 1.00 0.00 H new ATOM 0 HA THR A 90 4.108 -11.277 5.735 1.00 0.00 H new ATOM 0 HB THR A 90 1.903 -12.566 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.571 -13.699 7.801 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.044 -14.723 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 90 4.078 -13.625 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.381 -13.854 7.007 1.00 0.00 H new ATOM 1606 N MET A 91 1.998 -9.812 5.299 1.00 0.00 N ATOM 1607 CA MET A 91 1.091 -8.694 5.064 1.00 0.00 C ATOM 1608 C MET A 91 -0.143 -8.799 5.975 1.00 0.00 C ATOM 1609 O MET A 91 -0.644 -7.776 6.430 1.00 0.00 O ATOM 1610 CB MET A 91 0.719 -8.594 3.576 1.00 0.00 C ATOM 1611 CG MET A 91 1.929 -8.313 2.667 1.00 0.00 C ATOM 1612 SD MET A 91 3.069 -6.987 3.169 1.00 0.00 S ATOM 1613 CE MET A 91 2.062 -5.519 2.841 1.00 0.00 C ATOM 0 H MET A 91 2.193 -10.368 4.467 1.00 0.00 H new ATOM 0 HA MET A 91 1.601 -7.766 5.323 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.246 -9.525 3.263 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.018 -7.802 3.445 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.504 -9.235 2.578 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.554 -8.075 1.672 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.410 -4.693 3.461 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.150 -5.245 1.790 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.019 -5.734 3.074 1.00 0.00 H new ATOM 1623 N GLY A 92 -0.590 -10.011 6.316 1.00 0.00 N ATOM 1624 CA GLY A 92 -1.731 -10.255 7.186 1.00 0.00 C ATOM 1625 C GLY A 92 -1.431 -9.874 8.638 1.00 0.00 C ATOM 1626 O GLY A 92 -2.333 -9.432 9.348 1.00 0.00 O ATOM 0 H GLY A 92 -0.152 -10.870 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.588 -9.683 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.007 -11.308 7.136 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.179 -10.019 9.092 1.00 0.00 N ATOM 1631 CA GLN A 93 0.220 -9.683 10.456 1.00 0.00 C ATOM 1632 C GLN A 93 0.100 -8.171 10.669 1.00 0.00 C ATOM 1633 O GLN A 93 -0.498 -7.730 11.649 1.00 0.00 O ATOM 1634 CB GLN A 93 1.660 -10.178 10.706 1.00 0.00 C ATOM 1635 CG GLN A 93 2.255 -9.805 12.074 1.00 0.00 C ATOM 1636 CD GLN A 93 1.630 -10.566 13.231 1.00 0.00 C ATOM 1637 OE1 GLN A 93 2.259 -11.455 13.802 1.00 0.00 O ATOM 1638 NE2 GLN A 93 0.424 -10.207 13.630 1.00 0.00 N ATOM 0 H GLN A 93 0.585 -10.374 8.517 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.438 -10.176 11.172 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.676 -11.263 10.605 1.00 0.00 H new ATOM 0 HB3 GLN A 93 2.306 -9.775 9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.328 -9.997 12.060 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.125 -8.736 12.239 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.076 -9.466 13.139 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.008 -10.670 14.430 1.00 0.00 H new ATOM 1647 N LEU A 94 0.695 -7.379 9.773 1.00 0.00 N ATOM 1648 CA LEU A 94 0.656 -5.918 9.832 1.00 0.00 C ATOM 1649 C LEU A 94 -0.759 -5.429 9.540 1.00 0.00 C ATOM 1650 O LEU A 94 -1.181 -4.441 10.129 1.00 0.00 O ATOM 1651 CB LEU A 94 1.731 -5.262 8.938 1.00 0.00 C ATOM 1652 CG LEU A 94 1.811 -5.772 7.484 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.990 -4.939 6.497 1.00 0.00 C ATOM 1654 CD2 LEU A 94 3.263 -5.812 7.003 1.00 0.00 C ATOM 0 H LEU A 94 1.223 -7.740 8.978 1.00 0.00 H new ATOM 0 HA LEU A 94 0.912 -5.602 10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.548 -4.188 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.704 -5.410 9.407 1.00 0.00 H new ATOM 0 HG LEU A 94 1.385 -6.775 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.094 -5.356 5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.060 -4.957 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.350 -3.910 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.296 -6.175 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.689 -4.810 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.840 -6.480 7.642 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.505 -6.105 8.661 1.00 0.00 N ATOM 1667 CA TYR A 95 -2.874 -5.723 8.343 1.00 0.00 C ATOM 1668 C TYR A 95 -3.736 -5.823 9.606 1.00 0.00 C ATOM 1669 O TYR A 95 -4.603 -4.977 9.818 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.394 -6.600 7.203 1.00 0.00 C ATOM 1671 CG TYR A 95 -4.868 -6.482 6.875 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.328 -5.422 6.073 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.761 -7.498 7.268 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -6.658 -5.399 5.618 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.093 -7.482 6.819 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.542 -6.444 5.973 1.00 0.00 C ATOM 1677 OH TYR A 95 -8.798 -6.491 5.452 1.00 0.00 O ATOM 0 H TYR A 95 -1.175 -6.927 8.155 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.917 -4.689 8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.825 -6.363 6.304 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.182 -7.640 7.450 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.655 -4.621 5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.421 -8.292 7.916 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.004 -4.585 4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.774 -8.264 7.121 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.798 -6.084 4.560 1.00 0.00 H new ATOM 1687 N GLU A 96 -3.490 -6.840 10.439 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.195 -7.066 11.694 1.00 0.00 C ATOM 1689 C GLU A 96 -3.826 -5.993 12.711 1.00 0.00 C ATOM 1690 O GLU A 96 -4.690 -5.421 13.379 1.00 0.00 O ATOM 1691 CB GLU A 96 -3.784 -8.431 12.264 1.00 0.00 C ATOM 1692 CG GLU A 96 -4.801 -8.979 13.265 1.00 0.00 C ATOM 1693 CD GLU A 96 -6.135 -9.245 12.576 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -6.160 -10.025 11.592 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -7.152 -8.630 12.975 1.00 0.00 O ATOM 0 H GLU A 96 -2.776 -7.543 10.249 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.268 -7.034 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.665 -9.142 11.446 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.813 -8.340 12.751 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.424 -9.900 13.709 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.940 -8.267 14.078 1.00 0.00 H new ATOM 1702 N ASP A 97 -2.534 -5.665 12.784 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.024 -4.675 13.720 1.00 0.00 C ATOM 1704 C ASP A 97 -2.547 -3.288 13.345 1.00 0.00 C ATOM 1705 O ASP A 97 -2.864 -2.496 14.234 1.00 0.00 O ATOM 1706 CB ASP A 97 -0.496 -4.702 13.708 1.00 0.00 C ATOM 1707 CG ASP A 97 0.058 -3.711 14.724 1.00 0.00 C ATOM 1708 OD1 ASP A 97 0.211 -4.097 15.906 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.386 -2.570 14.331 1.00 0.00 O ATOM 0 H ASP A 97 -1.815 -6.082 12.192 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.369 -4.910 14.727 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.141 -5.707 13.939 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.129 -4.455 12.712 1.00 0.00 H new ATOM 1714 N ASN A 98 -2.788 -3.043 12.057 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.298 -1.792 11.500 1.00 0.00 C ATOM 1716 C ASN A 98 -4.812 -1.767 11.275 1.00 0.00 C ATOM 1717 O ASN A 98 -5.289 -0.804 10.669 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.512 -1.363 10.253 1.00 0.00 C ATOM 1719 CG ASN A 98 -1.125 -0.851 10.598 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -0.135 -1.237 9.984 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -1.001 0.051 11.561 1.00 0.00 N ATOM 0 H ASN A 98 -2.624 -3.748 11.338 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.127 -1.043 12.273 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.426 -2.209 9.571 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.065 -0.584 9.727 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.081 0.426 11.793 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.825 0.370 12.070 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.562 -2.819 11.629 1.00 0.00 N ATOM 1729 CA HIS A 99 -7.011 -2.860 11.434 1.00 0.00 C ATOM 1730 C HIS A 99 -7.670 -1.559 11.934 1.00 0.00 C ATOM 1731 O HIS A 99 -7.564 -1.194 13.108 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.622 -4.188 11.923 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.136 -4.237 13.341 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -7.498 -3.795 14.480 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -9.370 -4.698 13.714 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -8.340 -3.939 15.515 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -9.492 -4.481 15.089 1.00 0.00 N ATOM 0 H HIS A 99 -5.179 -3.662 12.057 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.240 -2.874 10.369 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.446 -4.445 11.257 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.868 -4.967 11.811 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -10.110 -5.145 13.067 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.124 -3.661 16.536 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -10.307 -4.695 15.664 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.338 -0.844 11.033 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.004 0.438 11.257 1.00 0.00 C ATOM 1747 C GLU A 100 -10.481 0.384 10.865 1.00 0.00 C ATOM 1748 O GLU A 100 -10.950 -0.639 10.364 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.253 1.462 10.386 1.00 0.00 C ATOM 1750 CG GLU A 100 -7.012 2.038 11.065 1.00 0.00 C ATOM 1751 CD GLU A 100 -7.344 3.257 11.927 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -8.207 3.164 12.829 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -6.736 4.329 11.689 1.00 0.00 O ATOM 0 H GLU A 100 -8.435 -1.162 10.069 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.979 0.706 12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.959 0.986 9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.930 2.277 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.549 1.271 11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.281 2.319 10.307 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.230 1.464 11.097 1.00 0.00 N ATOM 1761 CA GLU A 101 -12.646 1.543 10.746 1.00 0.00 C ATOM 1762 C GLU A 101 -12.831 1.751 9.236 1.00 0.00 C ATOM 1763 O GLU A 101 -13.940 1.572 8.723 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.341 2.662 11.543 1.00 0.00 C ATOM 1765 CG GLU A 101 -13.764 2.217 12.949 1.00 0.00 C ATOM 1766 CD GLU A 101 -14.937 1.238 12.898 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -16.089 1.682 12.685 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -14.715 0.012 13.032 1.00 0.00 O ATOM 0 H GLU A 101 -10.868 2.311 11.536 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.112 0.594 11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.668 3.516 11.624 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.220 3.000 10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.919 1.748 13.453 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.043 3.090 13.539 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.761 2.124 8.529 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.693 2.362 7.083 1.00 0.00 C ATOM 1777 C ASP A 102 -11.211 1.114 6.334 1.00 0.00 C ATOM 1778 O ASP A 102 -11.599 0.909 5.186 1.00 0.00 O ATOM 1779 CB ASP A 102 -10.727 3.518 6.771 1.00 0.00 C ATOM 1780 CG ASP A 102 -9.374 3.458 7.496 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -8.568 2.553 7.185 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -9.147 4.271 8.423 1.00 0.00 O ATOM 0 H ASP A 102 -10.859 2.278 8.980 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.700 2.615 6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.544 3.537 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.216 4.458 7.027 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.434 0.248 6.993 1.00 0.00 N ATOM 1788 CA TYR A 103 -9.861 -0.996 6.476 1.00 0.00 C ATOM 1789 C TYR A 103 -8.739 -0.798 5.436 1.00 0.00 C ATOM 1790 O TYR A 103 -8.505 -1.698 4.616 1.00 0.00 O ATOM 1791 CB TYR A 103 -10.934 -1.936 5.906 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.188 -2.221 6.713 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.118 -2.483 8.093 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.414 -2.381 6.041 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.271 -2.849 8.808 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.561 -2.788 6.738 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.501 -3.003 8.133 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.627 -3.388 8.797 1.00 0.00 O ATOM 0 H TYR A 103 -10.172 0.410 7.966 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.403 -1.459 7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.250 -1.526 4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.454 -2.893 5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.171 -2.402 8.607 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.472 -2.189 4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.216 -3.012 9.874 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.490 -2.937 6.208 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.376 -3.439 8.168 1.00 0.00 H new ATOM 1808 N PHE A 104 -8.066 0.354 5.426 1.00 0.00 N ATOM 1809 CA PHE A 104 -6.981 0.669 4.501 1.00 0.00 C ATOM 1810 C PHE A 104 -5.647 0.459 5.222 1.00 0.00 C ATOM 1811 O PHE A 104 -5.584 0.532 6.451 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.111 2.122 3.997 1.00 0.00 C ATOM 1813 CG PHE A 104 -8.003 2.364 2.793 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -9.312 1.856 2.756 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -7.545 3.166 1.729 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -10.142 2.136 1.661 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -8.378 3.445 0.633 1.00 0.00 C ATOM 1818 CZ PHE A 104 -9.682 2.933 0.603 1.00 0.00 C ATOM 0 H PHE A 104 -8.267 1.112 6.079 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.030 0.012 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.482 2.733 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.112 2.486 3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.679 1.250 3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.544 3.570 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.144 1.734 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.015 4.052 -0.183 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.331 3.152 -0.232 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.584 0.164 4.460 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.237 -0.050 4.982 1.00 0.00 C ATOM 1830 C LEU A 105 -2.310 0.950 4.295 1.00 0.00 C ATOM 1831 O LEU A 105 -2.293 1.030 3.066 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.814 -1.522 4.781 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.689 -2.332 6.088 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.436 -1.923 6.868 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -3.941 -2.220 6.973 1.00 0.00 C ATOM 0 H LEU A 105 -4.643 0.067 3.446 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.190 0.124 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.541 -2.011 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.857 -1.545 4.261 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.595 -3.379 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.371 -2.509 7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.552 -2.106 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.492 -0.863 7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.800 -2.809 7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.105 -1.176 7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.807 -2.596 6.428 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.523 1.702 5.062 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.603 2.710 4.548 1.00 0.00 C ATOM 1849 C TYR A 106 0.846 2.213 4.563 1.00 0.00 C ATOM 1850 O TYR A 106 1.319 1.742 5.598 1.00 0.00 O ATOM 1851 CB TYR A 106 -0.759 3.995 5.375 1.00 0.00 C ATOM 1852 CG TYR A 106 0.251 5.049 4.980 1.00 0.00 C ATOM 1853 CD1 TYR A 106 0.022 5.864 3.857 1.00 0.00 C ATOM 1854 CD2 TYR A 106 1.471 5.131 5.674 1.00 0.00 C ATOM 1855 CE1 TYR A 106 1.036 6.721 3.397 1.00 0.00 C ATOM 1856 CE2 TYR A 106 2.482 5.994 5.232 1.00 0.00 C ATOM 1857 CZ TYR A 106 2.277 6.771 4.072 1.00 0.00 C ATOM 1858 OH TYR A 106 3.273 7.566 3.601 1.00 0.00 O ATOM 0 H TYR A 106 -1.508 1.625 6.079 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.850 2.917 3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.766 4.391 5.244 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.644 3.761 6.433 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.931 5.831 3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.630 4.525 6.554 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.867 7.341 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 106 3.413 6.064 5.776 1.00 0.00 H new ATOM 0 HH TYR A 106 3.831 7.868 4.348 1.00 0.00 H new ATOM 1868 N VAL A 107 1.572 2.333 3.440 1.00 0.00 N ATOM 1869 CA VAL A 107 2.968 1.910 3.327 1.00 0.00 C ATOM 1870 C VAL A 107 3.796 3.030 2.683 1.00 0.00 C ATOM 1871 O VAL A 107 3.502 3.528 1.588 1.00 0.00 O ATOM 1872 CB VAL A 107 3.067 0.574 2.556 1.00 0.00 C ATOM 1873 CG1 VAL A 107 4.517 0.186 2.225 1.00 0.00 C ATOM 1874 CG2 VAL A 107 2.450 -0.576 3.369 1.00 0.00 C ATOM 0 H VAL A 107 1.198 2.731 2.579 1.00 0.00 H new ATOM 0 HA VAL A 107 3.381 1.728 4.319 1.00 0.00 H new ATOM 0 HB VAL A 107 2.520 0.730 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.526 -0.760 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.969 0.962 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.085 0.081 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.532 -1.505 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.981 -0.678 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.399 -0.361 3.563 1.00 0.00 H new ATOM 1884 N ALA A 108 4.881 3.384 3.370 1.00 0.00 N ATOM 1885 CA ALA A 108 5.836 4.399 2.981 1.00 0.00 C ATOM 1886 C ALA A 108 7.184 3.751 2.683 1.00 0.00 C ATOM 1887 O ALA A 108 7.528 2.745 3.307 1.00 0.00 O ATOM 1888 CB ALA A 108 6.027 5.394 4.123 1.00 0.00 C ATOM 0 H ALA A 108 5.122 2.943 4.257 1.00 0.00 H new ATOM 0 HA ALA A 108 5.460 4.911 2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.747 6.156 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.073 5.867 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.397 4.870 5.004 1.00 0.00 H new ATOM 1894 N TYR A 109 7.973 4.343 1.786 1.00 0.00 N ATOM 1895 CA TYR A 109 9.305 3.836 1.443 1.00 0.00 C ATOM 1896 C TYR A 109 10.302 4.991 1.316 1.00 0.00 C ATOM 1897 O TYR A 109 9.928 6.069 0.844 1.00 0.00 O ATOM 1898 CB TYR A 109 9.254 2.942 0.196 1.00 0.00 C ATOM 1899 CG TYR A 109 8.769 3.599 -1.085 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.394 3.627 -1.389 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.693 4.168 -1.981 1.00 0.00 C ATOM 1902 CE1 TYR A 109 6.942 4.223 -2.580 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.245 4.763 -3.175 1.00 0.00 C ATOM 1904 CZ TYR A 109 7.867 4.798 -3.478 1.00 0.00 C ATOM 1905 OH TYR A 109 7.440 5.383 -4.629 1.00 0.00 O ATOM 0 H TYR A 109 7.709 5.186 1.277 1.00 0.00 H new ATOM 0 HA TYR A 109 9.661 3.201 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.253 2.544 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.606 2.092 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.683 3.189 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.748 4.148 -1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.886 4.241 -2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.958 5.194 -3.862 1.00 0.00 H new ATOM 0 HH TYR A 109 8.211 5.727 -5.127 1.00 0.00 H new ATOM 1915 N SER A 110 11.559 4.768 1.716 1.00 0.00 N ATOM 1916 CA SER A 110 12.625 5.761 1.665 1.00 0.00 C ATOM 1917 C SER A 110 14.006 5.113 1.582 1.00 0.00 C ATOM 1918 O SER A 110 14.161 3.922 1.851 1.00 0.00 O ATOM 1919 CB SER A 110 12.596 6.629 2.929 1.00 0.00 C ATOM 1920 OG SER A 110 13.336 7.813 2.705 1.00 0.00 O ATOM 0 H SER A 110 11.865 3.870 2.092 1.00 0.00 H new ATOM 0 HA SER A 110 12.454 6.360 0.771 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.567 6.875 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.016 6.079 3.771 1.00 0.00 H new ATOM 0 HG SER A 110 13.868 8.022 3.501 1.00 0.00 H new ATOM 1926 N ASP A 111 14.990 5.908 1.158 1.00 0.00 N ATOM 1927 CA ASP A 111 16.399 5.525 1.044 1.00 0.00 C ATOM 1928 C ASP A 111 17.018 5.609 2.442 1.00 0.00 C ATOM 1929 O ASP A 111 17.899 4.828 2.795 1.00 0.00 O ATOM 1930 CB ASP A 111 17.123 6.494 0.105 1.00 0.00 C ATOM 1931 CG ASP A 111 18.547 6.061 -0.228 1.00 0.00 C ATOM 1932 OD1 ASP A 111 18.690 5.216 -1.135 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.524 6.657 0.291 1.00 0.00 O ATOM 0 H ASP A 111 14.821 6.873 0.874 1.00 0.00 H new ATOM 0 HA ASP A 111 16.489 4.516 0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.553 6.587 -0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 111 17.149 7.482 0.564 1.00 0.00 H new ATOM 1938 N GLU A 112 16.573 6.592 3.235 1.00 0.00 N ATOM 1939 CA GLU A 112 17.001 6.840 4.597 1.00 0.00 C ATOM 1940 C GLU A 112 15.808 7.268 5.450 1.00 0.00 C ATOM 1941 O GLU A 112 14.897 7.950 4.967 1.00 0.00 O ATOM 1942 CB GLU A 112 18.164 7.834 4.639 1.00 0.00 C ATOM 1943 CG GLU A 112 17.975 9.170 3.908 1.00 0.00 C ATOM 1944 CD GLU A 112 19.238 10.019 4.087 1.00 0.00 C ATOM 1945 OE1 GLU A 112 20.309 9.614 3.575 1.00 0.00 O ATOM 1946 OE2 GLU A 112 19.191 11.057 4.783 1.00 0.00 O ATOM 0 H GLU A 112 15.872 7.262 2.919 1.00 0.00 H new ATOM 0 HA GLU A 112 17.386 5.916 5.028 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.386 8.050 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.043 7.343 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.785 8.996 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.107 9.697 4.305 1.00 0.00 H new ATOM 1953 N SER A 113 15.764 6.817 6.703 1.00 0.00 N ATOM 1954 CA SER A 113 14.705 7.155 7.644 1.00 0.00 C ATOM 1955 C SER A 113 14.916 8.586 8.157 1.00 0.00 C ATOM 1956 O SER A 113 15.703 8.768 9.080 1.00 0.00 O ATOM 1957 CB SER A 113 14.678 6.117 8.789 1.00 0.00 C ATOM 1958 OG SER A 113 15.948 5.545 9.106 1.00 0.00 O ATOM 0 H SER A 113 16.474 6.198 7.095 1.00 0.00 H new ATOM 0 HA SER A 113 13.733 7.122 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.276 6.593 9.683 1.00 0.00 H new ATOM 0 HB3 SER A 113 13.991 5.315 8.518 1.00 0.00 H new ATOM 0 HG SER A 113 15.844 4.903 9.839 1.00 0.00 H new ATOM 2086 N GLU B 730 -13.825 -1.519 -7.875 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.254 -0.201 -7.641 1.00 0.00 C ATOM 2088 C GLU B 730 -11.786 -0.187 -8.095 1.00 0.00 C ATOM 2089 O GLU B 730 -11.122 -1.224 -8.082 1.00 0.00 O ATOM 2090 CB GLU B 730 -13.447 0.198 -6.170 1.00 0.00 C ATOM 2091 CG GLU B 730 -14.823 -0.145 -5.556 1.00 0.00 C ATOM 2092 CD GLU B 730 -15.993 -0.135 -6.546 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -16.183 0.871 -7.265 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -16.669 -1.191 -6.615 1.00 0.00 O ATOM 0 HA GLU B 730 -13.772 0.553 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -12.674 -0.289 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -13.288 1.273 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -14.764 -1.132 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -15.036 0.566 -4.758 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.258 0.976 -8.471 1.00 0.00 N ATOM 2102 CA ASP B 731 -9.892 1.166 -8.960 1.00 0.00 C ATOM 2103 C ASP B 731 -8.822 0.847 -7.915 1.00 0.00 C ATOM 2104 O ASP B 731 -8.592 1.650 -7.008 1.00 0.00 O ATOM 2105 CB ASP B 731 -9.718 2.618 -9.443 1.00 0.00 C ATOM 2106 CG ASP B 731 -10.202 2.838 -10.866 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -11.420 3.045 -11.063 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -9.348 2.817 -11.781 1.00 0.00 O ATOM 0 H ASP B 731 -11.790 1.846 -8.443 1.00 0.00 H new ATOM 0 HA ASP B 731 -9.751 0.462 -9.780 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -10.263 3.284 -8.774 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -8.665 2.892 -9.378 1.00 0.00 H new ATOM 2113 N TYR B 732 -8.125 -0.284 -8.069 1.00 0.00 N ATOM 2114 CA TYR B 732 -7.058 -0.763 -7.190 1.00 0.00 C ATOM 2115 C TYR B 732 -6.181 -1.694 -8.029 1.00 0.00 C ATOM 2116 O TYR B 732 -6.707 -2.650 -8.619 1.00 0.00 O ATOM 2117 CB TYR B 732 -7.660 -1.520 -5.993 1.00 0.00 C ATOM 2118 CG TYR B 732 -8.309 -0.611 -4.968 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.526 0.058 -4.012 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -9.685 -0.340 -5.057 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.103 1.046 -3.191 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -10.267 0.652 -4.256 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.471 1.366 -3.340 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.009 2.414 -2.667 1.00 0.00 O ATOM 0 H TYR B 732 -8.300 -0.919 -8.848 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.472 0.065 -6.792 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -8.401 -2.231 -6.358 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -6.875 -2.100 -5.508 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -6.479 -0.186 -3.907 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -10.298 -0.900 -5.747 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -7.503 1.556 -2.452 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -11.322 0.868 -4.341 1.00 0.00 H new ATOM 0 HH TYR B 732 -10.917 2.581 -2.994 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.865 -1.458 -8.052 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.942 -2.266 -8.846 1.00 0.00 C ATOM 2136 C ILE B 733 -3.531 -3.520 -8.062 1.00 0.00 C ATOM 2137 O ILE B 733 -2.733 -3.463 -7.128 1.00 0.00 O ATOM 2138 CB ILE B 733 -2.747 -1.399 -9.306 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -3.163 -0.059 -9.967 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -1.839 -2.185 -10.265 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -4.167 -0.178 -11.122 1.00 0.00 C ATOM 0 H ILE B 733 -4.416 -0.709 -7.525 1.00 0.00 H new ATOM 0 HA ILE B 733 -4.432 -2.621 -9.753 1.00 0.00 H new ATOM 0 HB ILE B 733 -2.203 -1.147 -8.396 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -3.592 0.587 -9.201 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -2.266 0.438 -10.337 1.00 0.00 H new ATOM 0 HG21 ILE B 733 -1.005 -1.555 -10.575 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -1.455 -3.071 -9.759 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -2.411 -2.487 -11.142 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -4.391 0.814 -11.513 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -3.739 -0.792 -11.914 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -5.085 -0.641 -10.760 1.00 0.00 H new ATOM 2153 N ILE B 734 -4.124 -4.662 -8.394 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.840 -5.940 -7.753 1.00 0.00 C ATOM 2155 C ILE B 734 -2.513 -6.459 -8.304 1.00 0.00 C ATOM 2156 O ILE B 734 -2.255 -6.325 -9.498 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.964 -6.962 -8.070 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -6.385 -6.445 -7.742 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.734 -8.285 -7.314 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -7.465 -7.168 -8.557 1.00 0.00 C ATOM 0 H ILE B 734 -4.828 -4.726 -9.129 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.786 -5.809 -6.672 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.911 -7.121 -9.147 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -6.583 -6.580 -6.679 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -6.436 -5.375 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -5.535 -8.985 -7.553 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.777 -8.713 -7.613 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.727 -8.094 -6.241 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -8.446 -6.772 -8.293 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -7.284 -7.011 -9.620 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -7.433 -8.235 -8.337 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.683 -7.069 -7.463 1.00 0.00 N ATOM 2173 CA ILE B 735 -0.408 -7.652 -7.863 1.00 0.00 C ATOM 2174 C ILE B 735 -0.477 -9.092 -7.353 1.00 0.00 C ATOM 2175 O ILE B 735 0.014 -9.403 -6.269 1.00 0.00 O ATOM 2176 CB ILE B 735 0.784 -6.775 -7.402 1.00 0.00 C ATOM 2177 CG1 ILE B 735 2.124 -7.425 -7.814 1.00 0.00 C ATOM 2178 CG2 ILE B 735 0.770 -6.410 -5.907 1.00 0.00 C ATOM 2179 CD1 ILE B 735 3.341 -6.505 -7.638 1.00 0.00 C ATOM 0 H ILE B 735 -1.882 -7.173 -6.468 1.00 0.00 H new ATOM 0 HA ILE B 735 -0.229 -7.681 -8.938 1.00 0.00 H new ATOM 0 HB ILE B 735 0.671 -5.823 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.275 -8.329 -7.223 1.00 0.00 H new ATOM 0 HG13 ILE B 735 2.062 -7.733 -8.858 1.00 0.00 H new ATOM 0 HG21 ILE B 735 1.640 -5.796 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE B 735 -0.139 -5.854 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE B 735 0.799 -7.321 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE B 735 4.243 -7.032 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE B 735 3.214 -5.612 -8.250 1.00 0.00 H new ATOM 0 HD13 ILE B 735 3.431 -6.217 -6.591 1.00 0.00 H new