USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 876 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 106 THR OG1 : rot 180:sc= 0.808 USER MOD Set 1.2: A 115 THR OG1 : rot -89:sc= -1.43! USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.956 USER MOD Set 2.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 49 ASN : amide:sc= -1.66 K(o=-9.7,f=-6) USER MOD Set 3.2: A 53 GLN : amide:sc= -5.39! C(o=-9.7!,f=-6!) USER MOD Set 3.3: A 65 MET CE :methyl -151:sc= -2.64 (180deg=-5.49!) USER MOD Set 4.1: A 44 TYR OH : rot 109:sc= 0.33 USER MOD Set 4.2: A 114 CYS SG : rot 95:sc= -0.637 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 23 CYS SG : rot 36:sc= -7.6! USER MOD Single : A 28 SER OG : rot 180:sc= -2.01 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -3.67! K(o=-3.7!,f=-0.71) USER MOD Single : A 43 GLN : amide:sc= -0.098 X(o=-0.098,f=-0.0018) USER MOD Single : A 46 ASN : amide:sc=-0.00025 X(o=-0.00025,f=0.13) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -150:sc= -2.02 USER MOD Single : A 75 GLN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 78 THR OG1 : rot 79:sc= -0.0529 USER MOD Single : A 92 MET CE :methyl -136:sc= -1.14 (180deg=-5.45!) USER MOD Single : A 94 HIS : no HE2:sc= -5.48 K(o=-5.5,f=-8.6!) USER MOD Single : A 96 LYS NZ :NH3+ -162:sc= 0.166 (180deg=0.0808) USER MOD Single : A 105 THR OG1 : rot -22:sc= 0.334 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot 103:sc= -7.2! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N ASP A 12 4.157 13.629 4.507 1.00 0.00 N ATOM 152 CA ASP A 12 4.116 12.239 4.948 1.00 0.00 C ATOM 153 C ASP A 12 2.907 11.510 4.368 1.00 0.00 C ATOM 154 O ASP A 12 2.986 10.326 4.039 1.00 0.00 O ATOM 155 CB ASP A 12 4.085 12.170 6.476 1.00 0.00 C ATOM 156 CG ASP A 12 4.998 11.091 7.025 1.00 0.00 C ATOM 157 OD1 ASP A 12 4.743 9.900 6.748 1.00 0.00 O ATOM 158 OD2 ASP A 12 5.968 11.437 7.733 1.00 0.00 O ATOM 0 HA ASP A 12 5.017 11.745 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.380 13.136 6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.064 11.982 6.808 1.00 0.00 H new ATOM 163 N ASP A 13 1.788 12.220 4.247 1.00 0.00 N ATOM 164 CA ASP A 13 0.568 11.627 3.709 1.00 0.00 C ATOM 165 C ASP A 13 0.796 11.111 2.290 1.00 0.00 C ATOM 166 O ASP A 13 0.519 9.950 1.988 1.00 0.00 O ATOM 167 CB ASP A 13 -0.566 12.654 3.719 1.00 0.00 C ATOM 168 CG ASP A 13 -1.868 12.086 3.189 1.00 0.00 C ATOM 169 OD1 ASP A 13 -2.521 11.313 3.922 1.00 0.00 O ATOM 170 OD2 ASP A 13 -2.237 12.414 2.041 1.00 0.00 O ATOM 0 H ASP A 13 1.701 13.201 4.513 1.00 0.00 H new ATOM 0 HA ASP A 13 0.290 10.784 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.718 13.013 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.277 13.515 3.117 1.00 0.00 H new ATOM 175 N PHE A 14 1.311 11.979 1.426 1.00 0.00 N ATOM 176 CA PHE A 14 1.587 11.607 0.043 1.00 0.00 C ATOM 177 C PHE A 14 2.809 10.699 -0.040 1.00 0.00 C ATOM 178 O PHE A 14 2.934 9.894 -0.963 1.00 0.00 O ATOM 179 CB PHE A 14 1.800 12.855 -0.817 1.00 0.00 C ATOM 180 CG PHE A 14 0.560 13.304 -1.536 1.00 0.00 C ATOM 181 CD1 PHE A 14 0.086 12.602 -2.635 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.130 14.429 -1.115 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.055 13.015 -3.297 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.272 14.845 -1.774 1.00 0.00 C ATOM 185 CZ PHE A 14 -1.734 14.138 -2.867 1.00 0.00 C ATOM 0 H PHE A 14 1.546 12.944 1.658 1.00 0.00 H new ATOM 0 HA PHE A 14 0.724 11.061 -0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.158 13.667 -0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.582 12.653 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.614 11.724 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.228 14.987 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.415 12.460 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.803 15.722 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.625 14.463 -3.384 1.00 0.00 H new ATOM 195 N GLN A 15 3.707 10.827 0.934 1.00 0.00 N ATOM 196 CA GLN A 15 4.910 10.012 0.970 1.00 0.00 C ATOM 197 C GLN A 15 4.552 8.583 1.335 1.00 0.00 C ATOM 198 O GLN A 15 5.150 7.630 0.832 1.00 0.00 O ATOM 199 CB GLN A 15 5.912 10.578 1.979 1.00 0.00 C ATOM 200 CG GLN A 15 7.319 10.030 1.811 1.00 0.00 C ATOM 201 CD GLN A 15 8.375 10.950 2.392 1.00 0.00 C ATOM 202 OE1 GLN A 15 8.246 11.428 3.520 1.00 0.00 O ATOM 203 NE2 GLN A 15 9.428 11.202 1.624 1.00 0.00 N ATOM 0 H GLN A 15 3.621 11.488 1.706 1.00 0.00 H new ATOM 0 HA GLN A 15 5.371 10.024 -0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.940 11.663 1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.563 10.357 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.386 9.055 2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.521 9.875 0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.494 10.784 0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.171 11.813 1.962 1.00 0.00 H new ATOM 212 N PHE A 16 3.559 8.442 2.205 1.00 0.00 N ATOM 213 CA PHE A 16 3.111 7.129 2.625 1.00 0.00 C ATOM 214 C PHE A 16 2.574 6.357 1.428 1.00 0.00 C ATOM 215 O PHE A 16 2.795 5.153 1.300 1.00 0.00 O ATOM 216 CB PHE A 16 2.033 7.241 3.707 1.00 0.00 C ATOM 217 CG PHE A 16 1.474 5.911 4.129 1.00 0.00 C ATOM 218 CD1 PHE A 16 2.311 4.911 4.592 1.00 0.00 C ATOM 219 CD2 PHE A 16 0.113 5.662 4.056 1.00 0.00 C ATOM 220 CE1 PHE A 16 1.802 3.684 4.976 1.00 0.00 C ATOM 221 CE2 PHE A 16 -0.403 4.438 4.438 1.00 0.00 C ATOM 222 CZ PHE A 16 0.444 3.448 4.899 1.00 0.00 C ATOM 0 H PHE A 16 3.054 9.220 2.629 1.00 0.00 H new ATOM 0 HA PHE A 16 3.961 6.592 3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.453 7.744 4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.221 7.868 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.374 5.091 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.552 6.433 3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.466 2.912 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.466 4.256 4.376 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.044 2.491 5.199 1.00 0.00 H new ATOM 232 N LEU A 17 1.872 7.066 0.549 1.00 0.00 N ATOM 233 CA LEU A 17 1.310 6.456 -0.647 1.00 0.00 C ATOM 234 C LEU A 17 2.422 5.922 -1.539 1.00 0.00 C ATOM 235 O LEU A 17 2.265 4.898 -2.203 1.00 0.00 O ATOM 236 CB LEU A 17 0.453 7.466 -1.410 1.00 0.00 C ATOM 237 CG LEU A 17 -1.051 7.341 -1.158 1.00 0.00 C ATOM 238 CD1 LEU A 17 -1.567 8.537 -0.373 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.804 7.199 -2.473 1.00 0.00 C ATOM 0 H LEU A 17 1.680 8.063 0.644 1.00 0.00 H new ATOM 0 HA LEU A 17 0.675 5.623 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.772 8.472 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.641 7.350 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.224 6.443 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.638 8.427 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.053 8.591 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.380 9.451 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.872 7.111 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.622 8.077 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.458 6.307 -2.996 1.00 0.00 H new ATOM 251 N SER A 18 3.556 6.609 -1.540 1.00 0.00 N ATOM 252 CA SER A 18 4.691 6.175 -2.337 1.00 0.00 C ATOM 253 C SER A 18 5.096 4.770 -1.915 1.00 0.00 C ATOM 254 O SER A 18 5.502 3.949 -2.736 1.00 0.00 O ATOM 255 CB SER A 18 5.868 7.139 -2.166 1.00 0.00 C ATOM 256 OG SER A 18 6.556 7.327 -3.391 1.00 0.00 O ATOM 0 H SER A 18 3.713 7.462 -1.002 1.00 0.00 H new ATOM 0 HA SER A 18 4.406 6.169 -3.389 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.505 8.099 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.555 6.749 -1.415 1.00 0.00 H new ATOM 0 HG SER A 18 7.302 7.948 -3.255 1.00 0.00 H new ATOM 262 N ASP A 19 4.969 4.505 -0.617 1.00 0.00 N ATOM 263 CA ASP A 19 5.304 3.203 -0.057 1.00 0.00 C ATOM 264 C ASP A 19 4.207 2.176 -0.335 1.00 0.00 C ATOM 265 O ASP A 19 4.496 1.046 -0.724 1.00 0.00 O ATOM 266 CB ASP A 19 5.540 3.319 1.450 1.00 0.00 C ATOM 267 CG ASP A 19 6.963 3.720 1.784 1.00 0.00 C ATOM 268 OD1 ASP A 19 7.261 4.933 1.754 1.00 0.00 O ATOM 269 OD2 ASP A 19 7.781 2.822 2.075 1.00 0.00 O ATOM 0 H ASP A 19 4.634 5.181 0.069 1.00 0.00 H new ATOM 0 HA ASP A 19 6.219 2.860 -0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.851 4.054 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.314 2.364 1.925 1.00 0.00 H new ATOM 274 N VAL A 20 2.946 2.564 -0.128 1.00 0.00 N ATOM 275 CA VAL A 20 1.831 1.649 -0.358 1.00 0.00 C ATOM 276 C VAL A 20 1.838 1.140 -1.794 1.00 0.00 C ATOM 277 O VAL A 20 1.664 -0.051 -2.045 1.00 0.00 O ATOM 278 CB VAL A 20 0.464 2.294 -0.030 1.00 0.00 C ATOM 279 CG1 VAL A 20 0.549 3.075 1.270 1.00 0.00 C ATOM 280 CG2 VAL A 20 -0.022 3.188 -1.164 1.00 0.00 C ATOM 0 H VAL A 20 2.676 3.493 0.194 1.00 0.00 H new ATOM 0 HA VAL A 20 1.968 0.808 0.321 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.264 1.492 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.420 3.524 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.829 2.402 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.299 3.860 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.985 3.623 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.702 3.985 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.131 2.596 -2.073 1.00 0.00 H new ATOM 290 N LEU A 21 2.060 2.052 -2.733 1.00 0.00 N ATOM 291 CA LEU A 21 2.115 1.692 -4.142 1.00 0.00 C ATOM 292 C LEU A 21 3.383 0.894 -4.429 1.00 0.00 C ATOM 293 O LEU A 21 3.467 0.175 -5.425 1.00 0.00 O ATOM 294 CB LEU A 21 2.073 2.947 -5.016 1.00 0.00 C ATOM 295 CG LEU A 21 1.003 3.968 -4.630 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.478 5.381 -4.935 1.00 0.00 C ATOM 297 CD2 LEU A 21 -0.304 3.674 -5.354 1.00 0.00 C ATOM 0 H LEU A 21 2.204 3.044 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 21 1.248 1.075 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.048 3.432 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.910 2.646 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 21 0.825 3.890 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.703 6.094 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.386 5.590 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.686 5.473 -6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.053 4.411 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.142 3.722 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.653 2.677 -5.084 1.00 0.00 H new ATOM 309 N ASP A 22 4.369 1.024 -3.542 1.00 0.00 N ATOM 310 CA ASP A 22 5.633 0.316 -3.686 1.00 0.00 C ATOM 311 C ASP A 22 5.583 -1.044 -2.993 1.00 0.00 C ATOM 312 O ASP A 22 6.398 -1.922 -3.279 1.00 0.00 O ATOM 313 CB ASP A 22 6.779 1.152 -3.112 1.00 0.00 C ATOM 314 CG ASP A 22 8.137 0.681 -3.595 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.225 -0.454 -4.109 1.00 0.00 O ATOM 316 OD2 ASP A 22 9.113 1.448 -3.458 1.00 0.00 O ATOM 0 H ASP A 22 4.313 1.617 -2.714 1.00 0.00 H new ATOM 0 HA ASP A 22 5.807 0.153 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.639 2.196 -3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.748 1.107 -2.023 1.00 0.00 H new ATOM 321 N CYS A 23 4.626 -1.216 -2.076 1.00 0.00 N ATOM 322 CA CYS A 23 4.478 -2.475 -1.345 1.00 0.00 C ATOM 323 C CYS A 23 4.609 -3.676 -2.280 1.00 0.00 C ATOM 324 O CYS A 23 4.499 -3.539 -3.498 1.00 0.00 O ATOM 325 CB CYS A 23 3.128 -2.516 -0.627 1.00 0.00 C ATOM 326 SG CYS A 23 3.177 -1.887 1.067 1.00 0.00 S ATOM 0 H CYS A 23 3.944 -0.500 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 23 5.278 -2.529 -0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.406 -1.934 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.767 -3.544 -0.612 1.00 0.00 H new ATOM 0 HG CYS A 23 4.011 -0.893 1.137 1.00 0.00 H new ATOM 332 N ARG A 24 4.854 -4.847 -1.704 1.00 0.00 N ATOM 333 CA ARG A 24 5.012 -6.066 -2.493 1.00 0.00 C ATOM 334 C ARG A 24 3.737 -6.905 -2.502 1.00 0.00 C ATOM 335 O ARG A 24 3.740 -8.041 -2.979 1.00 0.00 O ATOM 336 CB ARG A 24 6.176 -6.897 -1.951 1.00 0.00 C ATOM 337 CG ARG A 24 7.407 -6.072 -1.614 1.00 0.00 C ATOM 338 CD ARG A 24 7.839 -5.211 -2.790 1.00 0.00 C ATOM 339 NE ARG A 24 9.115 -4.544 -2.541 1.00 0.00 N ATOM 340 CZ ARG A 24 9.889 -4.041 -3.500 1.00 0.00 C ATOM 341 NH1 ARG A 24 9.522 -4.127 -4.773 1.00 0.00 N ATOM 342 NH2 ARG A 24 11.034 -3.450 -3.187 1.00 0.00 N ATOM 0 H ARG A 24 4.948 -4.980 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 24 5.223 -5.767 -3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.848 -7.427 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.446 -7.653 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.196 -5.436 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.223 -6.735 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.922 -5.832 -3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.072 -4.463 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 24 9.431 -4.459 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.643 -4.580 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.119 -3.740 -5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.322 -3.381 -2.211 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.627 -3.065 -3.922 1.00 0.00 H new ATOM 356 N ALA A 25 2.647 -6.351 -1.980 1.00 0.00 N ATOM 357 CA ALA A 25 1.381 -7.069 -1.943 1.00 0.00 C ATOM 358 C ALA A 25 0.251 -6.184 -1.430 1.00 0.00 C ATOM 359 O ALA A 25 0.433 -5.404 -0.496 1.00 0.00 O ATOM 360 CB ALA A 25 1.508 -8.316 -1.080 1.00 0.00 C ATOM 0 H ALA A 25 2.616 -5.413 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 25 1.135 -7.364 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.554 -8.844 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.276 -8.969 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.785 -8.030 -0.065 1.00 0.00 H new ATOM 366 N VAL A 26 -0.918 -6.319 -2.047 1.00 0.00 N ATOM 367 CA VAL A 26 -2.087 -5.542 -1.655 1.00 0.00 C ATOM 368 C VAL A 26 -3.272 -6.459 -1.378 1.00 0.00 C ATOM 369 O VAL A 26 -3.860 -7.024 -2.301 1.00 0.00 O ATOM 370 CB VAL A 26 -2.479 -4.525 -2.743 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.600 -3.621 -2.254 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.271 -3.704 -3.169 1.00 0.00 C ATOM 0 H VAL A 26 -1.081 -6.961 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.824 -4.999 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.841 -5.075 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.862 -2.910 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.473 -4.225 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.270 -3.079 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.568 -2.991 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.876 -3.165 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.502 -4.367 -3.566 1.00 0.00 H new ATOM 382 N ARG A 27 -3.615 -6.609 -0.104 1.00 0.00 N ATOM 383 CA ARG A 27 -4.725 -7.466 0.291 1.00 0.00 C ATOM 384 C ARG A 27 -5.508 -6.854 1.449 1.00 0.00 C ATOM 385 O ARG A 27 -5.215 -5.745 1.890 1.00 0.00 O ATOM 386 CB ARG A 27 -4.205 -8.849 0.687 1.00 0.00 C ATOM 387 CG ARG A 27 -4.205 -9.851 -0.456 1.00 0.00 C ATOM 388 CD ARG A 27 -5.589 -10.002 -1.069 1.00 0.00 C ATOM 389 NE ARG A 27 -5.664 -9.411 -2.404 1.00 0.00 N ATOM 390 CZ ARG A 27 -4.981 -9.861 -3.454 1.00 0.00 C ATOM 391 NH1 ARG A 27 -4.170 -10.904 -3.329 1.00 0.00 N ATOM 392 NH2 ARG A 27 -5.109 -9.267 -4.632 1.00 0.00 N ATOM 0 H ARG A 27 -3.140 -6.148 0.672 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.397 -7.563 -0.562 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.190 -8.750 1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.817 -9.239 1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.500 -9.529 -1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.860 -10.819 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.847 -11.060 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.326 -9.528 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.276 -8.606 -2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.068 -11.365 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.649 -11.245 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.731 -8.465 -4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.586 -9.612 -5.437 1.00 0.00 H new ATOM 406 N SER A 28 -6.501 -7.590 1.936 1.00 0.00 N ATOM 407 CA SER A 28 -7.327 -7.127 3.047 1.00 0.00 C ATOM 408 C SER A 28 -7.101 -7.989 4.282 1.00 0.00 C ATOM 409 O SER A 28 -6.962 -9.205 4.181 1.00 0.00 O ATOM 410 CB SER A 28 -8.806 -7.160 2.655 1.00 0.00 C ATOM 411 OG SER A 28 -9.541 -6.169 3.353 1.00 0.00 O ATOM 0 H SER A 28 -6.754 -8.511 1.579 1.00 0.00 H new ATOM 0 HA SER A 28 -7.041 -6.101 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.904 -7.001 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.221 -8.145 2.871 1.00 0.00 H new ATOM 0 HG SER A 28 -10.482 -6.210 3.084 1.00 0.00 H new ATOM 417 N ALA A 29 -7.070 -7.358 5.449 1.00 0.00 N ATOM 418 CA ALA A 29 -6.863 -8.081 6.697 1.00 0.00 C ATOM 419 C ALA A 29 -7.968 -9.108 6.916 1.00 0.00 C ATOM 420 O ALA A 29 -7.700 -10.258 7.266 1.00 0.00 O ATOM 421 CB ALA A 29 -6.799 -7.113 7.869 1.00 0.00 C ATOM 0 H ALA A 29 -7.185 -6.350 5.557 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.912 -8.610 6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.644 -7.670 8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.973 -6.417 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.734 -6.557 7.933 1.00 0.00 H new ATOM 427 N MET A 30 -9.209 -8.687 6.699 1.00 0.00 N ATOM 428 CA MET A 30 -10.354 -9.575 6.866 1.00 0.00 C ATOM 429 C MET A 30 -10.271 -10.748 5.893 1.00 0.00 C ATOM 430 O MET A 30 -10.733 -11.850 6.188 1.00 0.00 O ATOM 431 CB MET A 30 -11.660 -8.806 6.651 1.00 0.00 C ATOM 432 CG MET A 30 -12.388 -8.468 7.943 1.00 0.00 C ATOM 433 SD MET A 30 -13.728 -9.619 8.306 1.00 0.00 S ATOM 434 CE MET A 30 -13.903 -9.386 10.074 1.00 0.00 C ATOM 0 H MET A 30 -9.448 -7.739 6.408 1.00 0.00 H new ATOM 0 HA MET A 30 -10.338 -9.966 7.883 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.444 -7.883 6.113 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.320 -9.397 6.016 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.676 -8.473 8.769 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.791 -7.457 7.875 1.00 0.00 H new ATOM 0 HE1 MET A 30 -14.697 -10.032 10.449 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.965 -9.638 10.569 1.00 0.00 H new ATOM 0 HE3 MET A 30 -14.154 -8.346 10.281 1.00 0.00 H new ATOM 444 N ASN A 31 -9.673 -10.500 4.731 1.00 0.00 N ATOM 445 CA ASN A 31 -9.520 -11.529 3.709 1.00 0.00 C ATOM 446 C ASN A 31 -8.148 -11.427 3.046 1.00 0.00 C ATOM 447 O ASN A 31 -8.041 -11.151 1.852 1.00 0.00 O ATOM 448 CB ASN A 31 -10.623 -11.398 2.656 1.00 0.00 C ATOM 449 CG ASN A 31 -11.864 -12.191 3.016 1.00 0.00 C ATOM 450 OD1 ASN A 31 -12.833 -11.643 3.541 1.00 0.00 O ATOM 451 ND2 ASN A 31 -11.840 -13.488 2.734 1.00 0.00 N ATOM 0 H ASN A 31 -9.286 -9.592 4.474 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.603 -12.505 4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.888 -10.347 2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.244 -11.739 1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.647 -14.073 2.953 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.015 -13.900 2.298 1.00 0.00 H new ATOM 458 N LEU A 32 -7.100 -11.645 3.835 1.00 0.00 N ATOM 459 CA LEU A 32 -5.734 -11.571 3.331 1.00 0.00 C ATOM 460 C LEU A 32 -5.374 -12.822 2.532 1.00 0.00 C ATOM 461 O LEU A 32 -4.417 -12.819 1.757 1.00 0.00 O ATOM 462 CB LEU A 32 -4.752 -11.385 4.492 1.00 0.00 C ATOM 463 CG LEU A 32 -3.501 -10.564 4.166 1.00 0.00 C ATOM 464 CD1 LEU A 32 -3.868 -9.130 3.817 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.526 -10.593 5.334 1.00 0.00 C ATOM 0 H LEU A 32 -7.171 -11.874 4.826 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.665 -10.711 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.277 -10.904 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.440 -12.368 4.843 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.018 -11.012 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.962 -8.568 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.527 -9.124 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.378 -8.669 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.643 -10.005 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.005 -10.173 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.231 -11.623 5.536 1.00 0.00 H new ATOM 477 N ARG A 33 -6.144 -13.889 2.723 1.00 0.00 N ATOM 478 CA ARG A 33 -5.903 -15.141 2.016 1.00 0.00 C ATOM 479 C ARG A 33 -6.330 -15.033 0.555 1.00 0.00 C ATOM 480 O ARG A 33 -5.806 -15.739 -0.308 1.00 0.00 O ATOM 481 CB ARG A 33 -6.656 -16.287 2.697 1.00 0.00 C ATOM 482 CG ARG A 33 -5.783 -17.124 3.618 1.00 0.00 C ATOM 483 CD ARG A 33 -4.703 -17.861 2.843 1.00 0.00 C ATOM 484 NE ARG A 33 -3.428 -17.868 3.556 1.00 0.00 N ATOM 485 CZ ARG A 33 -2.255 -18.109 2.975 1.00 0.00 C ATOM 486 NH1 ARG A 33 -2.191 -18.364 1.673 1.00 0.00 N ATOM 487 NH2 ARG A 33 -1.142 -18.094 3.696 1.00 0.00 N ATOM 0 H ARG A 33 -6.939 -13.911 3.361 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.833 -15.348 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.486 -15.875 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.087 -16.933 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.320 -16.481 4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.402 -17.843 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.023 -18.887 2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.571 -17.391 1.868 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.437 -17.677 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.044 -18.376 1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.289 -18.548 1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.185 -17.898 4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.243 -18.279 3.250 1.00 0.00 H new ATOM 501 N ALA A 34 -7.285 -14.148 0.283 1.00 0.00 N ATOM 502 CA ALA A 34 -7.781 -13.953 -1.074 1.00 0.00 C ATOM 503 C ALA A 34 -8.281 -12.527 -1.279 1.00 0.00 C ATOM 504 O ALA A 34 -8.852 -11.922 -0.372 1.00 0.00 O ATOM 505 CB ALA A 34 -8.890 -14.951 -1.376 1.00 0.00 C ATOM 0 H ALA A 34 -7.730 -13.556 0.984 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.954 -14.121 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.253 -14.796 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.503 -15.965 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.710 -14.808 -0.672 1.00 0.00 H new ATOM 511 N ALA A 35 -8.067 -11.997 -2.480 1.00 0.00 N ATOM 512 CA ALA A 35 -8.499 -10.643 -2.806 1.00 0.00 C ATOM 513 C ALA A 35 -10.020 -10.560 -2.878 1.00 0.00 C ATOM 514 O ALA A 35 -10.714 -11.564 -2.720 1.00 0.00 O ATOM 515 CB ALA A 35 -7.881 -10.194 -4.122 1.00 0.00 C ATOM 0 H ALA A 35 -7.597 -12.485 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.159 -9.976 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.212 -9.182 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.794 -10.210 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.193 -10.868 -4.919 1.00 0.00 H new ATOM 521 N LEU A 36 -10.535 -9.357 -3.117 1.00 0.00 N ATOM 522 CA LEU A 36 -11.975 -9.154 -3.208 1.00 0.00 C ATOM 523 C LEU A 36 -12.465 -9.369 -4.635 1.00 0.00 C ATOM 524 O LEU A 36 -13.193 -10.321 -4.917 1.00 0.00 O ATOM 525 CB LEU A 36 -12.334 -7.743 -2.739 1.00 0.00 C ATOM 526 CG LEU A 36 -11.711 -7.325 -1.405 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.399 -6.587 -1.636 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.679 -6.460 -0.612 1.00 0.00 C ATOM 0 H LEU A 36 -9.978 -8.513 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.466 -9.883 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.025 -7.032 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.418 -7.669 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.501 -8.224 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.971 -6.298 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.702 -7.239 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.584 -5.695 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.219 -6.172 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.921 -5.565 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.592 -7.022 -0.415 1.00 0.00 H new ATOM 540 N THR A 37 -12.050 -8.484 -5.531 1.00 0.00 N ATOM 541 CA THR A 37 -12.432 -8.575 -6.938 1.00 0.00 C ATOM 542 C THR A 37 -11.892 -7.382 -7.720 1.00 0.00 C ATOM 543 O THR A 37 -11.672 -6.308 -7.159 1.00 0.00 O ATOM 544 CB THR A 37 -13.956 -8.662 -7.090 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.351 -8.301 -8.402 1.00 0.00 O ATOM 546 CG2 THR A 37 -14.721 -7.779 -6.125 1.00 0.00 C ATOM 0 H THR A 37 -11.447 -7.692 -5.310 1.00 0.00 H new ATOM 0 HA THR A 37 -11.995 -9.487 -7.345 1.00 0.00 H new ATOM 0 HB THR A 37 -14.200 -9.701 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.326 -8.365 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.791 -7.896 -6.295 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.482 -8.067 -5.101 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.440 -6.738 -6.284 1.00 0.00 H new ATOM 554 N SER A 38 -11.674 -7.579 -9.019 1.00 0.00 N ATOM 555 CA SER A 38 -11.152 -6.522 -9.883 1.00 0.00 C ATOM 556 C SER A 38 -11.882 -5.203 -9.643 1.00 0.00 C ATOM 557 O SER A 38 -11.263 -4.140 -9.591 1.00 0.00 O ATOM 558 CB SER A 38 -11.282 -6.928 -11.352 1.00 0.00 C ATOM 559 OG SER A 38 -10.112 -7.589 -11.804 1.00 0.00 O ATOM 0 H SER A 38 -11.851 -8.463 -9.497 1.00 0.00 H new ATOM 0 HA SER A 38 -10.099 -6.379 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.145 -7.583 -11.477 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.463 -6.043 -11.963 1.00 0.00 H new ATOM 0 HG SER A 38 -10.221 -7.840 -12.745 1.00 0.00 H new ATOM 565 N PHE A 39 -13.199 -5.283 -9.493 1.00 0.00 N ATOM 566 CA PHE A 39 -14.012 -4.099 -9.251 1.00 0.00 C ATOM 567 C PHE A 39 -13.783 -3.567 -7.840 1.00 0.00 C ATOM 568 O PHE A 39 -13.819 -2.359 -7.607 1.00 0.00 O ATOM 569 CB PHE A 39 -15.494 -4.421 -9.453 1.00 0.00 C ATOM 570 CG PHE A 39 -16.299 -3.255 -9.954 1.00 0.00 C ATOM 571 CD1 PHE A 39 -16.178 -2.826 -11.267 1.00 0.00 C ATOM 572 CD2 PHE A 39 -17.175 -2.588 -9.113 1.00 0.00 C ATOM 573 CE1 PHE A 39 -16.918 -1.755 -11.730 1.00 0.00 C ATOM 574 CE2 PHE A 39 -17.916 -1.515 -9.571 1.00 0.00 C ATOM 575 CZ PHE A 39 -17.787 -1.098 -10.882 1.00 0.00 C ATOM 0 H PHE A 39 -13.726 -6.155 -9.535 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.716 -3.331 -9.965 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.585 -5.246 -10.160 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.915 -4.764 -8.508 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -15.498 -3.334 -11.935 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -17.280 -2.910 -8.088 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -16.817 -1.432 -12.755 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -18.595 -1.003 -8.905 1.00 0.00 H new ATOM 0 HZ PHE A 39 -18.365 -0.260 -11.243 1.00 0.00 H new ATOM 585 N GLN A 40 -13.549 -4.479 -6.903 1.00 0.00 N ATOM 586 CA GLN A 40 -13.317 -4.106 -5.512 1.00 0.00 C ATOM 587 C GLN A 40 -11.982 -3.387 -5.354 1.00 0.00 C ATOM 588 O GLN A 40 -11.933 -2.249 -4.889 1.00 0.00 O ATOM 589 CB GLN A 40 -13.364 -5.339 -4.614 1.00 0.00 C ATOM 590 CG GLN A 40 -14.749 -5.621 -4.052 1.00 0.00 C ATOM 591 CD GLN A 40 -15.254 -4.504 -3.159 1.00 0.00 C ATOM 592 OE1 GLN A 40 -16.373 -4.019 -3.325 1.00 0.00 O ATOM 593 NE2 GLN A 40 -14.429 -4.091 -2.203 1.00 0.00 N ATOM 0 H GLN A 40 -13.515 -5.483 -7.081 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.110 -3.422 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.026 -6.206 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.665 -5.206 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.448 -5.767 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.725 -6.552 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.510 -4.522 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.715 -3.343 -1.571 1.00 0.00 H new ATOM 602 N VAL A 41 -10.900 -4.054 -5.745 1.00 0.00 N ATOM 603 CA VAL A 41 -9.569 -3.466 -5.645 1.00 0.00 C ATOM 604 C VAL A 41 -9.508 -2.134 -6.383 1.00 0.00 C ATOM 605 O VAL A 41 -8.842 -1.197 -5.941 1.00 0.00 O ATOM 606 CB VAL A 41 -8.488 -4.405 -6.213 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.098 -3.836 -5.966 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.614 -5.794 -5.608 1.00 0.00 C ATOM 0 H VAL A 41 -10.919 -4.997 -6.132 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.373 -3.306 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.637 -4.486 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.349 -4.514 -6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.011 -2.864 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.937 -3.721 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.842 -6.443 -6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.494 -5.732 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.596 -6.205 -5.842 1.00 0.00 H new ATOM 618 N ALA A 42 -10.211 -2.055 -7.508 1.00 0.00 N ATOM 619 CA ALA A 42 -10.242 -0.836 -8.303 1.00 0.00 C ATOM 620 C ALA A 42 -10.915 0.295 -7.535 1.00 0.00 C ATOM 621 O ALA A 42 -10.456 1.437 -7.564 1.00 0.00 O ATOM 622 CB ALA A 42 -10.959 -1.082 -9.623 1.00 0.00 C ATOM 0 H ALA A 42 -10.766 -2.821 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.214 -0.540 -8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.974 -0.161 -10.206 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.436 -1.857 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.982 -1.404 -9.427 1.00 0.00 H new ATOM 628 N GLN A 43 -12.001 -0.033 -6.840 1.00 0.00 N ATOM 629 CA GLN A 43 -12.732 0.956 -6.055 1.00 0.00 C ATOM 630 C GLN A 43 -11.807 1.609 -5.034 1.00 0.00 C ATOM 631 O GLN A 43 -11.805 2.830 -4.871 1.00 0.00 O ATOM 632 CB GLN A 43 -13.922 0.301 -5.350 1.00 0.00 C ATOM 633 CG GLN A 43 -15.231 1.050 -5.546 1.00 0.00 C ATOM 634 CD GLN A 43 -16.446 0.175 -5.305 1.00 0.00 C ATOM 635 OE1 GLN A 43 -17.272 0.466 -4.440 1.00 0.00 O ATOM 636 NE2 GLN A 43 -16.559 -0.905 -6.070 1.00 0.00 N ATOM 0 H GLN A 43 -12.393 -0.974 -6.805 1.00 0.00 H new ATOM 0 HA GLN A 43 -13.107 1.726 -6.728 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.037 -0.718 -5.719 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.709 0.231 -4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.262 1.903 -4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.270 1.447 -6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.850 -1.107 -6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.355 -1.532 -5.953 1.00 0.00 H new ATOM 645 N TYR A 44 -11.011 0.786 -4.360 1.00 0.00 N ATOM 646 CA TYR A 44 -10.066 1.278 -3.366 1.00 0.00 C ATOM 647 C TYR A 44 -8.974 2.099 -4.043 1.00 0.00 C ATOM 648 O TYR A 44 -8.503 3.100 -3.500 1.00 0.00 O ATOM 649 CB TYR A 44 -9.449 0.106 -2.599 1.00 0.00 C ATOM 650 CG TYR A 44 -8.440 0.522 -1.553 1.00 0.00 C ATOM 651 CD1 TYR A 44 -8.787 1.403 -0.537 1.00 0.00 C ATOM 652 CD2 TYR A 44 -7.141 0.031 -1.583 1.00 0.00 C ATOM 653 CE1 TYR A 44 -7.867 1.783 0.421 1.00 0.00 C ATOM 654 CE2 TYR A 44 -6.215 0.407 -0.627 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.582 1.283 0.371 1.00 0.00 C ATOM 656 OH TYR A 44 -5.664 1.659 1.324 1.00 0.00 O ATOM 0 H TYR A 44 -11.002 -0.226 -4.485 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.598 1.916 -2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.246 -0.459 -2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.966 -0.566 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.792 1.797 -0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.850 -0.655 -2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.152 2.468 1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.209 0.016 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.481 0.902 1.919 1.00 0.00 H new ATOM 666 N ARG A 45 -8.587 1.669 -5.240 1.00 0.00 N ATOM 667 CA ARG A 45 -7.561 2.360 -6.010 1.00 0.00 C ATOM 668 C ARG A 45 -8.024 3.763 -6.381 1.00 0.00 C ATOM 669 O ARG A 45 -7.261 4.726 -6.291 1.00 0.00 O ATOM 670 CB ARG A 45 -7.231 1.572 -7.279 1.00 0.00 C ATOM 671 CG ARG A 45 -6.114 0.557 -7.100 1.00 0.00 C ATOM 672 CD ARG A 45 -5.751 -0.107 -8.419 1.00 0.00 C ATOM 673 NE ARG A 45 -6.168 -1.506 -8.462 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.307 -2.205 -9.586 1.00 0.00 C ATOM 675 NH1 ARG A 45 -6.058 -1.640 -10.762 1.00 0.00 N ATOM 676 NH2 ARG A 45 -6.695 -3.473 -9.536 1.00 0.00 N ATOM 0 H ARG A 45 -8.971 0.842 -5.698 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.665 2.437 -5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.129 1.054 -7.617 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.951 2.271 -8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.235 1.050 -6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.422 -0.202 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.220 0.436 -9.239 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.673 -0.045 -8.571 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.364 -1.975 -7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.759 -0.666 -10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.166 -2.180 -11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.887 -3.912 -8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.801 -4.008 -10.398 1.00 0.00 H new ATOM 690 N ASN A 46 -9.281 3.870 -6.801 1.00 0.00 N ATOM 691 CA ASN A 46 -9.853 5.154 -7.190 1.00 0.00 C ATOM 692 C ASN A 46 -9.765 6.156 -6.045 1.00 0.00 C ATOM 693 O ASN A 46 -9.603 7.354 -6.269 1.00 0.00 O ATOM 694 CB ASN A 46 -11.312 4.979 -7.618 1.00 0.00 C ATOM 695 CG ASN A 46 -11.703 5.928 -8.733 1.00 0.00 C ATOM 696 OD1 ASN A 46 -11.517 7.140 -8.627 1.00 0.00 O ATOM 697 ND2 ASN A 46 -12.249 5.380 -9.813 1.00 0.00 N ATOM 0 H ASN A 46 -9.923 3.082 -6.881 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.279 5.539 -8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.471 3.952 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.962 5.144 -6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.532 5.969 -10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.385 4.370 -9.859 1.00 0.00 H new ATOM 704 N ILE A 47 -9.868 5.657 -4.817 1.00 0.00 N ATOM 705 CA ILE A 47 -9.794 6.514 -3.640 1.00 0.00 C ATOM 706 C ILE A 47 -8.442 7.217 -3.569 1.00 0.00 C ATOM 707 O ILE A 47 -8.366 8.445 -3.603 1.00 0.00 O ATOM 708 CB ILE A 47 -10.022 5.713 -2.342 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.347 4.953 -2.413 1.00 0.00 C ATOM 710 CG2 ILE A 47 -10.001 6.637 -1.132 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.515 3.927 -1.314 1.00 0.00 C ATOM 0 H ILE A 47 -10.002 4.667 -4.612 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.585 7.258 -3.733 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.213 4.991 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.169 5.667 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.419 4.454 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.164 6.054 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.034 7.137 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.790 7.383 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.477 3.427 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.714 3.191 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.476 4.423 -0.344 1.00 0.00 H new ATOM 723 N LEU A 48 -7.376 6.429 -3.477 1.00 0.00 N ATOM 724 CA LEU A 48 -6.027 6.980 -3.408 1.00 0.00 C ATOM 725 C LEU A 48 -5.688 7.735 -4.687 1.00 0.00 C ATOM 726 O LEU A 48 -5.227 8.876 -4.647 1.00 0.00 O ATOM 727 CB LEU A 48 -5.004 5.865 -3.177 1.00 0.00 C ATOM 728 CG LEU A 48 -5.171 5.059 -1.882 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.814 4.620 -1.359 1.00 0.00 C ATOM 730 CD2 LEU A 48 -5.910 5.863 -0.822 1.00 0.00 C ATOM 0 H LEU A 48 -7.419 5.410 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.988 7.675 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.051 5.175 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.007 6.306 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.768 4.176 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.946 4.049 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.320 3.998 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.201 5.498 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.012 5.264 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.349 6.770 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.899 6.132 -1.193 1.00 0.00 H new ATOM 742 N ASN A 49 -5.919 7.087 -5.824 1.00 0.00 N ATOM 743 CA ASN A 49 -5.639 7.694 -7.118 1.00 0.00 C ATOM 744 C ASN A 49 -6.396 9.011 -7.278 1.00 0.00 C ATOM 745 O ASN A 49 -5.939 9.921 -7.970 1.00 0.00 O ATOM 746 CB ASN A 49 -6.013 6.731 -8.249 1.00 0.00 C ATOM 747 CG ASN A 49 -5.811 7.349 -9.619 1.00 0.00 C ATOM 748 OD1 ASN A 49 -4.768 7.170 -10.248 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.814 8.081 -10.085 1.00 0.00 N ATOM 0 H ASN A 49 -6.299 6.142 -5.875 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.571 7.904 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.410 5.827 -8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.055 6.430 -8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.740 8.524 -11.001 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.660 8.201 -9.527 1.00 0.00 H new ATOM 756 N ALA A 50 -7.556 9.107 -6.633 1.00 0.00 N ATOM 757 CA ALA A 50 -8.369 10.314 -6.707 1.00 0.00 C ATOM 758 C ALA A 50 -7.709 11.471 -5.969 1.00 0.00 C ATOM 759 O ALA A 50 -7.918 12.633 -6.306 1.00 0.00 O ATOM 760 CB ALA A 50 -9.759 10.060 -6.157 1.00 0.00 C ATOM 0 H ALA A 50 -7.952 8.365 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.456 10.590 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.349 10.974 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.242 9.274 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.687 9.748 -5.115 1.00 0.00 H new ATOM 766 N SER A 51 -6.915 11.142 -4.957 1.00 0.00 N ATOM 767 CA SER A 51 -6.221 12.149 -4.163 1.00 0.00 C ATOM 768 C SER A 51 -5.107 12.812 -4.971 1.00 0.00 C ATOM 769 O SER A 51 -4.805 13.991 -4.783 1.00 0.00 O ATOM 770 CB SER A 51 -5.640 11.514 -2.898 1.00 0.00 C ATOM 771 OG SER A 51 -4.754 12.404 -2.240 1.00 0.00 O ATOM 0 H SER A 51 -6.735 10.181 -4.666 1.00 0.00 H new ATOM 0 HA SER A 51 -6.943 12.915 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.449 11.236 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.112 10.596 -3.158 1.00 0.00 H new ATOM 0 HG SER A 51 -4.398 11.975 -1.434 1.00 0.00 H new ATOM 777 N LEU A 52 -4.490 12.039 -5.856 1.00 0.00 N ATOM 778 CA LEU A 52 -3.391 12.537 -6.685 1.00 0.00 C ATOM 779 C LEU A 52 -3.861 13.597 -7.680 1.00 0.00 C ATOM 780 O LEU A 52 -3.334 14.710 -7.710 1.00 0.00 O ATOM 781 CB LEU A 52 -2.719 11.385 -7.448 1.00 0.00 C ATOM 782 CG LEU A 52 -2.926 9.987 -6.858 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.089 8.962 -7.605 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.576 9.981 -5.379 1.00 0.00 C ATOM 0 H LEU A 52 -4.730 11.062 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.670 12.997 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.092 11.386 -8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.648 11.583 -7.499 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.977 9.718 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.250 7.975 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.382 8.949 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.034 9.226 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.728 8.981 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.533 10.270 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.216 10.688 -4.851 1.00 0.00 H new ATOM 796 N GLN A 53 -4.839 13.240 -8.506 1.00 0.00 N ATOM 797 CA GLN A 53 -5.365 14.154 -9.520 1.00 0.00 C ATOM 798 C GLN A 53 -5.792 15.491 -8.920 1.00 0.00 C ATOM 799 O GLN A 53 -5.854 16.502 -9.619 1.00 0.00 O ATOM 800 CB GLN A 53 -6.546 13.511 -10.246 1.00 0.00 C ATOM 801 CG GLN A 53 -7.738 13.232 -9.355 1.00 0.00 C ATOM 802 CD GLN A 53 -8.404 11.917 -9.692 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.620 11.847 -9.873 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.601 10.862 -9.781 1.00 0.00 N ATOM 0 H GLN A 53 -5.286 12.323 -8.495 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.561 14.351 -10.229 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.859 14.165 -11.060 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.216 12.576 -10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.416 13.219 -8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.462 14.041 -9.455 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.599 10.969 -9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.987 9.945 -10.008 1.00 0.00 H new ATOM 813 N VAL A 54 -6.087 15.493 -7.627 1.00 0.00 N ATOM 814 CA VAL A 54 -6.508 16.711 -6.946 1.00 0.00 C ATOM 815 C VAL A 54 -5.331 17.401 -6.263 1.00 0.00 C ATOM 816 O VAL A 54 -5.515 18.184 -5.332 1.00 0.00 O ATOM 817 CB VAL A 54 -7.603 16.427 -5.900 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.947 16.209 -6.579 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.231 15.226 -5.043 1.00 0.00 C ATOM 0 H VAL A 54 -6.043 14.667 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.914 17.371 -7.712 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.686 17.296 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.708 16.010 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.219 17.102 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.878 15.359 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.018 15.043 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.115 14.348 -5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.293 15.425 -4.525 1.00 0.00 H new ATOM 829 N ASP A 55 -4.121 17.109 -6.733 1.00 0.00 N ATOM 830 CA ASP A 55 -2.917 17.705 -6.169 1.00 0.00 C ATOM 831 C ASP A 55 -2.369 18.792 -7.088 1.00 0.00 C ATOM 832 O ASP A 55 -2.330 18.625 -8.307 1.00 0.00 O ATOM 833 CB ASP A 55 -1.852 16.632 -5.936 1.00 0.00 C ATOM 834 CG ASP A 55 -1.129 16.811 -4.616 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.806 16.838 -3.567 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.115 16.924 -4.631 1.00 0.00 O ATOM 0 H ASP A 55 -3.950 16.463 -7.503 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.179 18.159 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.320 15.648 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.128 16.660 -6.750 1.00 0.00 H new ATOM 841 N ARG A 56 -1.945 19.905 -6.496 1.00 0.00 N ATOM 842 CA ARG A 56 -1.398 21.018 -7.265 1.00 0.00 C ATOM 843 C ARG A 56 -0.176 20.579 -8.066 1.00 0.00 C ATOM 844 O ARG A 56 0.004 20.982 -9.214 1.00 0.00 O ATOM 845 CB ARG A 56 -1.024 22.172 -6.334 1.00 0.00 C ATOM 846 CG ARG A 56 -2.223 22.949 -5.815 1.00 0.00 C ATOM 847 CD ARG A 56 -2.814 23.848 -6.890 1.00 0.00 C ATOM 848 NE ARG A 56 -4.069 24.461 -6.463 1.00 0.00 N ATOM 849 CZ ARG A 56 -4.142 25.494 -5.626 1.00 0.00 C ATOM 850 NH1 ARG A 56 -3.036 26.031 -5.125 1.00 0.00 N ATOM 851 NH2 ARG A 56 -5.324 25.992 -5.289 1.00 0.00 N ATOM 0 H ARG A 56 -1.970 20.060 -5.488 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.164 21.356 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.463 21.777 -5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.361 22.855 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.984 22.253 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.923 23.553 -4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.097 24.629 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.985 23.266 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.940 24.075 -6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.124 25.652 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.098 26.822 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.177 25.584 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.380 26.783 -4.648 1.00 0.00 H new ATOM 865 N ASP A 57 0.659 19.747 -7.451 1.00 0.00 N ATOM 866 CA ASP A 57 1.864 19.251 -8.106 1.00 0.00 C ATOM 867 C ASP A 57 1.534 18.096 -9.047 1.00 0.00 C ATOM 868 O ASP A 57 1.556 16.932 -8.647 1.00 0.00 O ATOM 869 CB ASP A 57 2.888 18.803 -7.061 1.00 0.00 C ATOM 870 CG ASP A 57 4.208 19.539 -7.192 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.971 19.227 -8.129 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.478 20.427 -6.355 1.00 0.00 O ATOM 0 H ASP A 57 0.523 19.402 -6.501 1.00 0.00 H new ATOM 0 HA ASP A 57 2.291 20.063 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.481 18.968 -6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.061 17.732 -7.162 1.00 0.00 H new ATOM 877 N ALA A 58 1.228 18.426 -10.297 1.00 0.00 N ATOM 878 CA ALA A 58 0.894 17.417 -11.294 1.00 0.00 C ATOM 879 C ALA A 58 2.043 16.434 -11.489 1.00 0.00 C ATOM 880 O ALA A 58 1.826 15.232 -11.641 1.00 0.00 O ATOM 881 CB ALA A 58 0.534 18.079 -12.615 1.00 0.00 C ATOM 0 H ALA A 58 1.205 19.385 -10.644 1.00 0.00 H new ATOM 0 HA ALA A 58 0.031 16.858 -10.933 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.287 17.313 -13.350 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.325 18.735 -12.471 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.382 18.664 -12.972 1.00 0.00 H new ATOM 887 N ALA A 59 3.266 16.953 -11.483 1.00 0.00 N ATOM 888 CA ALA A 59 4.450 16.120 -11.658 1.00 0.00 C ATOM 889 C ALA A 59 4.557 15.076 -10.553 1.00 0.00 C ATOM 890 O ALA A 59 4.801 13.899 -10.819 1.00 0.00 O ATOM 891 CB ALA A 59 5.702 16.984 -11.693 1.00 0.00 C ATOM 0 H ALA A 59 3.463 17.946 -11.359 1.00 0.00 H new ATOM 0 HA ALA A 59 4.356 15.595 -12.609 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.578 16.349 -11.824 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.636 17.687 -12.523 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.790 17.535 -10.757 1.00 0.00 H new ATOM 897 N ARG A 60 4.371 15.514 -9.312 1.00 0.00 N ATOM 898 CA ARG A 60 4.444 14.616 -8.165 1.00 0.00 C ATOM 899 C ARG A 60 3.376 13.533 -8.253 1.00 0.00 C ATOM 900 O ARG A 60 3.679 12.343 -8.192 1.00 0.00 O ATOM 901 CB ARG A 60 4.281 15.404 -6.865 1.00 0.00 C ATOM 902 CG ARG A 60 4.945 14.745 -5.665 1.00 0.00 C ATOM 903 CD ARG A 60 5.814 15.726 -4.891 1.00 0.00 C ATOM 904 NE ARG A 60 7.214 15.309 -4.861 1.00 0.00 N ATOM 905 CZ ARG A 60 8.059 15.472 -5.876 1.00 0.00 C ATOM 906 NH1 ARG A 60 7.650 16.044 -7.003 1.00 0.00 N ATOM 907 NH2 ARG A 60 9.314 15.064 -5.766 1.00 0.00 N ATOM 0 H ARG A 60 4.169 16.485 -9.075 1.00 0.00 H new ATOM 0 HA ARG A 60 5.423 14.136 -8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.700 16.401 -6.999 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.218 15.530 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.180 14.338 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.555 13.907 -6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.739 16.714 -5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.440 15.815 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 60 7.565 14.867 -4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.685 16.360 -7.093 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.301 16.167 -7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.634 14.624 -4.903 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.961 15.189 -6.544 1.00 0.00 H new ATOM 921 N SER A 61 2.125 13.953 -8.399 1.00 0.00 N ATOM 922 CA SER A 61 1.009 13.018 -8.497 1.00 0.00 C ATOM 923 C SER A 61 1.222 12.032 -9.643 1.00 0.00 C ATOM 924 O SER A 61 0.865 10.859 -9.540 1.00 0.00 O ATOM 925 CB SER A 61 -0.302 13.781 -8.700 1.00 0.00 C ATOM 926 OG SER A 61 -1.312 12.935 -9.223 1.00 0.00 O ATOM 0 H SER A 61 1.857 14.936 -8.452 1.00 0.00 H new ATOM 0 HA SER A 61 0.955 12.455 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.632 14.201 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.137 14.618 -9.379 1.00 0.00 H new ATOM 0 HG SER A 61 -1.930 13.463 -9.771 1.00 0.00 H new ATOM 932 N ARG A 62 1.800 12.520 -10.734 1.00 0.00 N ATOM 933 CA ARG A 62 2.057 11.690 -11.906 1.00 0.00 C ATOM 934 C ARG A 62 2.883 10.456 -11.553 1.00 0.00 C ATOM 935 O ARG A 62 2.673 9.380 -12.113 1.00 0.00 O ATOM 936 CB ARG A 62 2.770 12.506 -12.986 1.00 0.00 C ATOM 937 CG ARG A 62 2.035 12.526 -14.317 1.00 0.00 C ATOM 938 CD ARG A 62 2.974 12.849 -15.467 1.00 0.00 C ATOM 939 NE ARG A 62 2.521 12.259 -16.725 1.00 0.00 N ATOM 940 CZ ARG A 62 2.933 12.663 -17.924 1.00 0.00 C ATOM 941 NH1 ARG A 62 3.808 13.655 -18.034 1.00 0.00 N ATOM 942 NH2 ARG A 62 2.470 12.073 -19.017 1.00 0.00 N ATOM 0 H ARG A 62 2.101 13.490 -10.832 1.00 0.00 H new ATOM 0 HA ARG A 62 1.094 11.350 -12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.894 13.530 -12.633 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.769 12.098 -13.138 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.566 11.557 -14.490 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.235 13.265 -14.281 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.050 13.930 -15.580 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.973 12.482 -15.233 1.00 0.00 H new ATOM 0 HE ARG A 62 1.850 11.492 -16.681 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.169 14.112 -17.197 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.120 13.960 -18.956 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.798 11.310 -18.939 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.786 12.382 -19.936 1.00 0.00 H new ATOM 956 N ARG A 63 3.828 10.614 -10.630 1.00 0.00 N ATOM 957 CA ARG A 63 4.681 9.502 -10.226 1.00 0.00 C ATOM 958 C ARG A 63 3.886 8.449 -9.452 1.00 0.00 C ATOM 959 O ARG A 63 4.121 7.250 -9.600 1.00 0.00 O ATOM 960 CB ARG A 63 5.869 10.007 -9.394 1.00 0.00 C ATOM 961 CG ARG A 63 5.575 10.153 -7.909 1.00 0.00 C ATOM 962 CD ARG A 63 6.422 11.246 -7.274 1.00 0.00 C ATOM 963 NE ARG A 63 7.777 10.786 -6.975 1.00 0.00 N ATOM 964 CZ ARG A 63 8.827 10.984 -7.772 1.00 0.00 C ATOM 965 NH1 ARG A 63 8.688 11.623 -8.928 1.00 0.00 N ATOM 966 NH2 ARG A 63 10.022 10.535 -7.414 1.00 0.00 N ATOM 0 H ARG A 63 4.021 11.494 -10.152 1.00 0.00 H new ATOM 0 HA ARG A 63 5.069 9.030 -11.129 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.705 9.319 -9.521 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.188 10.973 -9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.519 10.382 -7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.766 9.205 -7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.470 12.103 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.944 11.587 -6.356 1.00 0.00 H new ATOM 0 HE ARG A 63 7.929 10.282 -6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.771 11.968 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.498 11.769 -9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.137 10.039 -6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.827 10.685 -8.022 1.00 0.00 H new ATOM 980 N LEU A 64 2.942 8.904 -8.632 1.00 0.00 N ATOM 981 CA LEU A 64 2.113 7.991 -7.848 1.00 0.00 C ATOM 982 C LEU A 64 1.154 7.230 -8.756 1.00 0.00 C ATOM 983 O LEU A 64 0.962 6.023 -8.607 1.00 0.00 O ATOM 984 CB LEU A 64 1.312 8.742 -6.774 1.00 0.00 C ATOM 985 CG LEU A 64 1.909 10.067 -6.298 1.00 0.00 C ATOM 986 CD1 LEU A 64 1.020 10.699 -5.238 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.315 9.857 -5.759 1.00 0.00 C ATOM 0 H LEU A 64 2.732 9.893 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 64 2.781 7.287 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.312 8.935 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.197 8.087 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 64 1.967 10.745 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.459 11.641 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.031 10.886 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.932 10.024 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.723 10.811 -5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.283 9.162 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.949 9.447 -6.545 1.00 0.00 H new ATOM 999 N MET A 65 0.550 7.952 -9.696 1.00 0.00 N ATOM 1000 CA MET A 65 -0.397 7.359 -10.633 1.00 0.00 C ATOM 1001 C MET A 65 0.230 6.185 -11.378 1.00 0.00 C ATOM 1002 O MET A 65 -0.454 5.224 -11.730 1.00 0.00 O ATOM 1003 CB MET A 65 -0.883 8.414 -11.627 1.00 0.00 C ATOM 1004 CG MET A 65 -1.556 9.604 -10.961 1.00 0.00 C ATOM 1005 SD MET A 65 -2.945 10.243 -11.916 1.00 0.00 S ATOM 1006 CE MET A 65 -4.086 10.670 -10.605 1.00 0.00 C ATOM 0 H MET A 65 0.701 8.952 -9.828 1.00 0.00 H new ATOM 0 HA MET A 65 -1.248 6.984 -10.064 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.036 8.767 -12.215 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.583 7.952 -12.323 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.905 9.311 -9.971 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.823 10.398 -10.818 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.109 10.583 -10.970 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.942 9.993 -9.763 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.902 11.695 -10.282 1.00 0.00 H new ATOM 1016 N ALA A 66 1.538 6.263 -11.605 1.00 0.00 N ATOM 1017 CA ALA A 66 2.253 5.202 -12.296 1.00 0.00 C ATOM 1018 C ALA A 66 2.538 4.051 -11.342 1.00 0.00 C ATOM 1019 O ALA A 66 2.531 2.885 -11.736 1.00 0.00 O ATOM 1020 CB ALA A 66 3.547 5.734 -12.895 1.00 0.00 C ATOM 0 H ALA A 66 2.121 7.050 -11.320 1.00 0.00 H new ATOM 0 HA ALA A 66 1.627 4.832 -13.108 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.069 4.927 -13.408 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.319 6.528 -13.606 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.181 6.128 -12.101 1.00 0.00 H new ATOM 1026 N LYS A 67 2.773 4.391 -10.080 1.00 0.00 N ATOM 1027 CA LYS A 67 3.042 3.388 -9.061 1.00 0.00 C ATOM 1028 C LYS A 67 1.771 2.608 -8.745 1.00 0.00 C ATOM 1029 O LYS A 67 1.821 1.428 -8.402 1.00 0.00 O ATOM 1030 CB LYS A 67 3.584 4.048 -7.791 1.00 0.00 C ATOM 1031 CG LYS A 67 5.016 4.543 -7.927 1.00 0.00 C ATOM 1032 CD LYS A 67 5.295 5.707 -6.990 1.00 0.00 C ATOM 1033 CE LYS A 67 5.906 5.233 -5.681 1.00 0.00 C ATOM 1034 NZ LYS A 67 7.388 5.117 -5.770 1.00 0.00 N ATOM 0 H LYS A 67 2.782 5.353 -9.740 1.00 0.00 H new ATOM 0 HA LYS A 67 3.795 2.698 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.942 4.888 -7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.532 3.334 -6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.706 3.727 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.199 4.851 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.971 6.412 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.368 6.243 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.644 5.929 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.482 4.266 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.766 4.791 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.639 4.433 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.796 6.045 -6.002 1.00 0.00 H new ATOM 1048 N LEU A 68 0.631 3.281 -8.878 1.00 0.00 N ATOM 1049 CA LEU A 68 -0.662 2.660 -8.622 1.00 0.00 C ATOM 1050 C LEU A 68 -1.048 1.733 -9.771 1.00 0.00 C ATOM 1051 O LEU A 68 -1.816 0.789 -9.591 1.00 0.00 O ATOM 1052 CB LEU A 68 -1.737 3.733 -8.436 1.00 0.00 C ATOM 1053 CG LEU A 68 -2.991 3.272 -7.685 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.268 4.178 -6.495 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -4.191 3.239 -8.621 1.00 0.00 C ATOM 0 H LEU A 68 0.578 4.259 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.585 2.071 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.299 4.575 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.035 4.101 -9.418 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.815 2.263 -7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.162 3.833 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.419 4.151 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.422 5.199 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.072 2.909 -8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.366 4.237 -9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.995 2.547 -9.440 1.00 0.00 H new ATOM 1067 N ALA A 69 -0.505 2.010 -10.955 1.00 0.00 N ATOM 1068 CA ALA A 69 -0.788 1.201 -12.135 1.00 0.00 C ATOM 1069 C ALA A 69 -0.454 -0.268 -11.895 1.00 0.00 C ATOM 1070 O ALA A 69 -0.982 -1.152 -12.568 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.011 1.730 -13.331 1.00 0.00 C ATOM 0 H ALA A 69 0.133 2.788 -11.121 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.856 1.271 -12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.230 1.119 -14.206 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.303 2.762 -13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.057 1.689 -13.118 1.00 0.00 H new ATOM 1077 N ASP A 70 0.430 -0.523 -10.933 1.00 0.00 N ATOM 1078 CA ASP A 70 0.837 -1.886 -10.608 1.00 0.00 C ATOM 1079 C ASP A 70 0.240 -2.347 -9.278 1.00 0.00 C ATOM 1080 O ASP A 70 0.707 -3.319 -8.686 1.00 0.00 O ATOM 1081 CB ASP A 70 2.363 -1.982 -10.553 1.00 0.00 C ATOM 1082 CG ASP A 70 2.847 -3.412 -10.403 1.00 0.00 C ATOM 1083 OD1 ASP A 70 2.984 -4.103 -11.434 1.00 0.00 O ATOM 1084 OD2 ASP A 70 3.089 -3.839 -9.255 1.00 0.00 O ATOM 0 H ASP A 70 0.878 0.197 -10.366 1.00 0.00 H new ATOM 0 HA ASP A 70 0.460 -2.541 -11.393 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.784 -1.552 -11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.732 -1.387 -9.718 1.00 0.00 H new ATOM 1089 N PHE A 71 -0.788 -1.645 -8.810 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.436 -1.991 -7.549 1.00 0.00 C ATOM 1091 C PHE A 71 -2.165 -3.328 -7.655 1.00 0.00 C ATOM 1092 O PHE A 71 -2.821 -3.612 -8.657 1.00 0.00 O ATOM 1093 CB PHE A 71 -2.423 -0.897 -7.140 1.00 0.00 C ATOM 1094 CG PHE A 71 -2.579 -0.751 -5.652 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -1.547 -0.237 -4.883 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -3.757 -1.126 -5.024 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -1.687 -0.098 -3.516 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -3.901 -0.990 -3.656 1.00 0.00 C ATOM 1099 CZ PHE A 71 -2.865 -0.476 -2.901 1.00 0.00 C ATOM 0 H PHE A 71 -1.189 -0.835 -9.283 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.660 -2.079 -6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.091 0.054 -7.557 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.396 -1.115 -7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.623 0.058 -5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.570 -1.528 -5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.876 0.306 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.823 -1.286 -3.178 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.976 -0.370 -1.832 1.00 0.00 H new ATOM 1109 N ALA A 72 -2.052 -4.140 -6.608 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.704 -5.444 -6.574 1.00 0.00 C ATOM 1111 C ALA A 72 -2.228 -6.340 -7.714 1.00 0.00 C ATOM 1112 O ALA A 72 -3.024 -7.035 -8.344 1.00 0.00 O ATOM 1113 CB ALA A 72 -4.215 -5.276 -6.630 1.00 0.00 C ATOM 0 H ALA A 72 -1.514 -3.917 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.432 -5.929 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.691 -6.256 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.548 -4.688 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.490 -4.763 -7.552 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.925 -6.323 -7.971 1.00 0.00 N ATOM 1120 CA VAL A 73 -0.346 -7.140 -9.032 1.00 0.00 C ATOM 1121 C VAL A 73 0.439 -8.312 -8.450 1.00 0.00 C ATOM 1122 O VAL A 73 0.916 -8.251 -7.317 1.00 0.00 O ATOM 1123 CB VAL A 73 0.580 -6.311 -9.944 1.00 0.00 C ATOM 1124 CG1 VAL A 73 1.165 -7.175 -11.051 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -0.173 -5.127 -10.528 1.00 0.00 C ATOM 0 H VAL A 73 -0.250 -5.754 -7.460 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.175 -7.521 -9.629 1.00 0.00 H new ATOM 0 HB VAL A 73 1.405 -5.932 -9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.815 -6.568 -11.681 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.743 -7.988 -10.611 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.357 -7.589 -11.655 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.495 -4.552 -11.169 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.019 -5.487 -11.114 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.536 -4.492 -9.720 1.00 0.00 H new ATOM 1135 N GLU A 74 0.567 -9.378 -9.233 1.00 0.00 N ATOM 1136 CA GLU A 74 1.293 -10.565 -8.795 1.00 0.00 C ATOM 1137 C GLU A 74 2.792 -10.291 -8.723 1.00 0.00 C ATOM 1138 O GLU A 74 3.517 -10.490 -9.697 1.00 0.00 O ATOM 1139 CB GLU A 74 1.021 -11.733 -9.746 1.00 0.00 C ATOM 1140 CG GLU A 74 -0.403 -12.259 -9.669 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.464 -13.775 -9.646 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -0.257 -14.393 -10.712 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -0.719 -14.342 -8.564 1.00 0.00 O ATOM 0 H GLU A 74 0.178 -9.445 -10.173 1.00 0.00 H new ATOM 0 HA GLU A 74 0.942 -10.828 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.228 -11.415 -10.768 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.712 -12.545 -9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.884 -11.866 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.970 -11.889 -10.523 1.00 0.00 H new ATOM 1150 N GLN A 75 3.248 -9.837 -7.560 1.00 0.00 N ATOM 1151 CA GLN A 75 4.662 -9.538 -7.358 1.00 0.00 C ATOM 1152 C GLN A 75 5.205 -10.295 -6.150 1.00 0.00 C ATOM 1153 O GLN A 75 4.534 -10.409 -5.124 1.00 0.00 O ATOM 1154 CB GLN A 75 4.864 -8.033 -7.168 1.00 0.00 C ATOM 1155 CG GLN A 75 5.906 -7.437 -8.101 1.00 0.00 C ATOM 1156 CD GLN A 75 6.288 -6.020 -7.722 1.00 0.00 C ATOM 1157 OE1 GLN A 75 7.460 -5.648 -7.766 1.00 0.00 O ATOM 1158 NE2 GLN A 75 5.297 -5.221 -7.343 1.00 0.00 N ATOM 0 H GLN A 75 2.660 -9.668 -6.744 1.00 0.00 H new ATOM 0 HA GLN A 75 5.210 -9.860 -8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.913 -7.524 -7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.160 -7.842 -6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.797 -8.064 -8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.522 -7.445 -9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.339 -5.571 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.494 -4.257 -7.074 1.00 0.00 H new ATOM 1167 N GLU A 76 6.422 -10.812 -6.278 1.00 0.00 N ATOM 1168 CA GLU A 76 7.051 -11.559 -5.195 1.00 0.00 C ATOM 1169 C GLU A 76 7.407 -10.640 -4.032 1.00 0.00 C ATOM 1170 O GLU A 76 7.890 -9.525 -4.233 1.00 0.00 O ATOM 1171 CB GLU A 76 8.305 -12.283 -5.694 1.00 0.00 C ATOM 1172 CG GLU A 76 9.436 -11.352 -6.106 1.00 0.00 C ATOM 1173 CD GLU A 76 9.315 -10.883 -7.542 1.00 0.00 C ATOM 1174 OE1 GLU A 76 9.081 -11.734 -8.427 1.00 0.00 O ATOM 1175 OE2 GLU A 76 9.453 -9.665 -7.783 1.00 0.00 O ATOM 0 H GLU A 76 6.992 -10.728 -7.120 1.00 0.00 H new ATOM 0 HA GLU A 76 6.334 -12.301 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.664 -12.949 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.036 -12.909 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.447 -10.485 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.389 -11.865 -5.975 1.00 0.00 H new ATOM 1182 N VAL A 77 7.172 -11.117 -2.817 1.00 0.00 N ATOM 1183 CA VAL A 77 7.477 -10.342 -1.621 1.00 0.00 C ATOM 1184 C VAL A 77 8.808 -10.777 -1.028 1.00 0.00 C ATOM 1185 O VAL A 77 9.287 -11.879 -1.293 1.00 0.00 O ATOM 1186 CB VAL A 77 6.371 -10.482 -0.558 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.659 -9.585 0.637 1.00 0.00 C ATOM 1188 CG2 VAL A 77 5.012 -10.159 -1.160 1.00 0.00 C ATOM 0 H VAL A 77 6.771 -12.037 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 77 7.537 -9.295 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 77 6.355 -11.515 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.866 -9.698 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.613 -9.867 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.704 -8.546 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.242 -10.263 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.015 -9.136 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.805 -10.847 -1.980 1.00 0.00 H new ATOM 1198 N THR A 78 9.409 -9.901 -0.234 1.00 0.00 N ATOM 1199 CA THR A 78 10.695 -10.196 0.379 1.00 0.00 C ATOM 1200 C THR A 78 10.859 -9.459 1.701 1.00 0.00 C ATOM 1201 O THR A 78 10.204 -8.444 1.940 1.00 0.00 O ATOM 1202 CB THR A 78 11.824 -9.806 -0.574 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.336 -9.640 -1.893 1.00 0.00 O ATOM 1204 CG2 THR A 78 12.935 -10.822 -0.621 1.00 0.00 C ATOM 0 H THR A 78 9.028 -8.984 -0.001 1.00 0.00 H new ATOM 0 HA THR A 78 10.737 -11.267 0.580 1.00 0.00 H new ATOM 0 HB THR A 78 12.223 -8.870 -0.183 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.899 -8.766 -1.973 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.705 -10.487 -1.315 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.367 -10.935 0.373 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.538 -11.780 -0.955 1.00 0.00 H new ATOM 1212 N ALA A 79 11.747 -9.964 2.552 1.00 0.00 N ATOM 1213 CA ALA A 79 11.996 -9.332 3.837 1.00 0.00 C ATOM 1214 C ALA A 79 12.540 -7.927 3.631 1.00 0.00 C ATOM 1215 O ALA A 79 13.243 -7.660 2.656 1.00 0.00 O ATOM 1216 CB ALA A 79 12.954 -10.161 4.675 1.00 0.00 C ATOM 0 H ALA A 79 12.301 -10.802 2.375 1.00 0.00 H new ATOM 0 HA ALA A 79 11.052 -9.267 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.123 -9.666 5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.525 -11.148 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.902 -10.265 4.148 1.00 0.00 H new ATOM 1222 N GLY A 80 12.190 -7.025 4.533 1.00 0.00 N ATOM 1223 CA GLY A 80 12.628 -5.651 4.411 1.00 0.00 C ATOM 1224 C GLY A 80 11.581 -4.806 3.719 1.00 0.00 C ATOM 1225 O GLY A 80 11.437 -3.618 4.006 1.00 0.00 O ATOM 0 H GLY A 80 11.610 -7.220 5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.834 -5.242 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.561 -5.612 3.849 1.00 0.00 H new ATOM 1229 N ASP A 81 10.829 -5.436 2.818 1.00 0.00 N ATOM 1230 CA ASP A 81 9.766 -4.752 2.095 1.00 0.00 C ATOM 1231 C ASP A 81 8.561 -4.569 3.014 1.00 0.00 C ATOM 1232 O ASP A 81 8.704 -4.593 4.237 1.00 0.00 O ATOM 1233 CB ASP A 81 9.372 -5.548 0.849 1.00 0.00 C ATOM 1234 CG ASP A 81 10.578 -6.014 0.055 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.671 -5.438 0.241 1.00 0.00 O ATOM 1236 OD2 ASP A 81 10.429 -6.954 -0.754 1.00 0.00 O ATOM 0 H ASP A 81 10.939 -6.420 2.573 1.00 0.00 H new ATOM 0 HA ASP A 81 10.123 -3.773 1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.780 -6.413 1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.738 -4.931 0.213 1.00 0.00 H new ATOM 1241 N ARG A 82 7.376 -4.386 2.439 1.00 0.00 N ATOM 1242 CA ARG A 82 6.178 -4.206 3.248 1.00 0.00 C ATOM 1243 C ARG A 82 4.912 -4.578 2.482 1.00 0.00 C ATOM 1244 O ARG A 82 4.880 -4.548 1.253 1.00 0.00 O ATOM 1245 CB ARG A 82 6.078 -2.760 3.736 1.00 0.00 C ATOM 1246 CG ARG A 82 6.358 -1.729 2.653 1.00 0.00 C ATOM 1247 CD ARG A 82 7.324 -0.657 3.137 1.00 0.00 C ATOM 1248 NE ARG A 82 8.674 -1.181 3.323 1.00 0.00 N ATOM 1249 CZ ARG A 82 9.652 -0.509 3.925 1.00 0.00 C ATOM 1250 NH1 ARG A 82 9.435 0.712 4.399 1.00 0.00 N ATOM 1251 NH2 ARG A 82 10.852 -1.059 4.054 1.00 0.00 N ATOM 0 H ARG A 82 7.221 -4.359 1.431 1.00 0.00 H new ATOM 0 HA ARG A 82 6.262 -4.876 4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.079 -2.590 4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.781 -2.613 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.774 -2.225 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.423 -1.263 2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.349 0.161 2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.963 -0.242 4.078 1.00 0.00 H new ATOM 0 HE ARG A 82 8.879 -2.116 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.514 1.140 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.189 1.222 4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.025 -1.997 3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.602 -0.544 4.515 1.00 0.00 H new ATOM 1265 N VAL A 83 3.868 -4.919 3.233 1.00 0.00 N ATOM 1266 CA VAL A 83 2.584 -5.290 2.652 1.00 0.00 C ATOM 1267 C VAL A 83 1.497 -4.320 3.100 1.00 0.00 C ATOM 1268 O VAL A 83 1.318 -4.084 4.294 1.00 0.00 O ATOM 1269 CB VAL A 83 2.175 -6.724 3.053 1.00 0.00 C ATOM 1270 CG1 VAL A 83 0.797 -7.072 2.502 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.212 -7.729 2.578 1.00 0.00 C ATOM 0 H VAL A 83 3.889 -4.946 4.252 1.00 0.00 H new ATOM 0 HA VAL A 83 2.694 -5.247 1.568 1.00 0.00 H new ATOM 0 HB VAL A 83 2.125 -6.770 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.532 -8.087 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.060 -6.374 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.812 -7.004 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.906 -8.733 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.298 -7.677 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.176 -7.498 3.030 1.00 0.00 H new ATOM 1281 N VAL A 84 0.773 -3.760 2.138 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.292 -2.818 2.443 1.00 0.00 C ATOM 1283 C VAL A 84 -1.642 -3.525 2.532 1.00 0.00 C ATOM 1284 O VAL A 84 -2.145 -4.053 1.541 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.371 -1.693 1.393 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.740 -2.252 0.026 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -1.364 -0.628 1.829 1.00 0.00 C ATOM 0 H VAL A 84 0.905 -3.943 1.143 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.056 -2.375 3.411 1.00 0.00 H new ATOM 0 HB VAL A 84 0.613 -1.231 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.790 -1.439 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.015 -2.972 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.710 -2.745 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.407 0.159 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.351 -1.076 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.046 -0.202 2.781 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.218 -3.533 3.729 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.506 -4.177 3.958 1.00 0.00 C ATOM 1299 C VAL A 85 -4.651 -3.172 3.831 1.00 0.00 C ATOM 1300 O VAL A 85 -4.757 -2.235 4.623 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.556 -4.840 5.349 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.717 -5.815 5.434 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.243 -5.547 5.653 1.00 0.00 C ATOM 0 H VAL A 85 -1.812 -3.099 4.558 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.623 -4.947 3.196 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.707 -4.059 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.736 -6.273 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.653 -5.283 5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.597 -6.590 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.298 -6.009 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.061 -6.316 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.428 -4.824 5.636 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.502 -3.369 2.824 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.633 -2.474 2.586 1.00 0.00 C ATOM 1315 C ILE A 86 -7.520 -2.338 3.822 1.00 0.00 C ATOM 1316 O ILE A 86 -8.217 -1.337 3.985 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.491 -2.948 1.397 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -8.094 -4.325 1.682 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -6.659 -2.984 0.124 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -9.223 -4.691 0.744 1.00 0.00 C ATOM 0 H ILE A 86 -5.429 -4.140 2.161 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.206 -1.499 2.351 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.307 -2.239 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.311 -5.079 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.462 -4.347 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.279 -3.321 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.277 -1.986 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.823 -3.672 0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.605 -5.679 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.024 -3.957 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.855 -4.701 -0.282 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.483 -3.339 4.695 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.276 -3.308 5.917 1.00 0.00 C ATOM 1334 C ASP A 87 -7.443 -2.740 7.057 1.00 0.00 C ATOM 1335 O ASP A 87 -7.906 -1.893 7.818 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.770 -4.710 6.273 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.126 -4.690 6.952 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -11.077 -4.135 6.362 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.236 -5.227 8.074 1.00 0.00 O ATOM 0 H ASP A 87 -6.915 -4.178 4.579 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.144 -2.669 5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.829 -5.312 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.045 -5.192 6.929 1.00 0.00 H new ATOM 1344 N GLY A 88 -6.200 -3.197 7.150 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.299 -2.704 8.174 1.00 0.00 C ATOM 1346 C GLY A 88 -4.522 -3.812 8.861 1.00 0.00 C ATOM 1347 O GLY A 88 -4.527 -4.959 8.411 1.00 0.00 O ATOM 0 H GLY A 88 -5.799 -3.903 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.598 -2.000 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.872 -2.153 8.920 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.862 -3.466 9.963 1.00 0.00 N ATOM 1352 CA LEU A 89 -3.085 -4.430 10.736 1.00 0.00 C ATOM 1353 C LEU A 89 -2.480 -3.759 11.967 1.00 0.00 C ATOM 1354 O LEU A 89 -2.274 -2.546 11.983 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.984 -5.054 9.875 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.615 -6.496 10.238 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -2.856 -7.376 10.271 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.594 -7.050 9.254 1.00 0.00 C ATOM 0 H LEU A 89 -3.850 -2.519 10.342 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.755 -5.225 11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.301 -5.028 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.090 -4.436 9.952 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.170 -6.495 11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.572 -8.396 10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.554 -6.993 11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.332 -7.370 9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.344 -8.075 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.013 -7.035 8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.307 -6.437 9.281 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.202 -4.549 13.001 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.629 -4.010 14.229 1.00 0.00 C ATOM 1372 C ASP A 90 -0.950 -5.099 15.054 1.00 0.00 C ATOM 1373 O ASP A 90 -1.023 -5.093 16.284 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.715 -3.326 15.063 1.00 0.00 C ATOM 1375 CG ASP A 90 -3.814 -4.284 15.478 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -3.492 -5.337 16.067 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -4.997 -3.982 15.212 1.00 0.00 O ATOM 0 H ASP A 90 -2.363 -5.556 13.013 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.872 -3.277 13.949 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.264 -2.888 15.953 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.148 -2.507 14.489 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.285 -6.029 14.377 1.00 0.00 N ATOM 1383 CA ARG A 91 0.410 -7.117 15.058 1.00 0.00 C ATOM 1384 C ARG A 91 1.132 -8.016 14.062 1.00 0.00 C ATOM 1385 O ARG A 91 0.751 -8.099 12.894 1.00 0.00 O ATOM 1386 CB ARG A 91 -0.577 -7.945 15.887 1.00 0.00 C ATOM 1387 CG ARG A 91 -1.605 -8.689 15.049 1.00 0.00 C ATOM 1388 CD ARG A 91 -1.301 -10.178 14.979 1.00 0.00 C ATOM 1389 NE ARG A 91 -1.546 -10.851 16.254 1.00 0.00 N ATOM 1390 CZ ARG A 91 -0.593 -11.159 17.135 1.00 0.00 C ATOM 1391 NH1 ARG A 91 0.675 -10.841 16.900 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -0.912 -11.784 18.261 1.00 0.00 N ATOM 0 H ARG A 91 -0.212 -6.052 13.360 1.00 0.00 H new ATOM 0 HA ARG A 91 1.152 -6.675 15.723 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.020 -8.665 16.486 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.096 -7.286 16.582 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.598 -8.540 15.473 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.623 -8.273 14.042 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.915 -10.637 14.204 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.260 -10.322 14.688 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.508 -11.101 16.484 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.928 -10.356 16.039 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.396 -11.081 17.581 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.884 -12.028 18.451 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.185 -12.021 18.936 1.00 0.00 H new ATOM 1406 N MET A 92 2.175 -8.694 14.534 1.00 0.00 N ATOM 1407 CA MET A 92 2.951 -9.594 13.689 1.00 0.00 C ATOM 1408 C MET A 92 2.054 -10.670 13.084 1.00 0.00 C ATOM 1409 O MET A 92 1.488 -11.494 13.802 1.00 0.00 O ATOM 1410 CB MET A 92 4.075 -10.240 14.499 1.00 0.00 C ATOM 1411 CG MET A 92 5.458 -9.712 14.149 1.00 0.00 C ATOM 1412 SD MET A 92 6.351 -9.081 15.584 1.00 0.00 S ATOM 1413 CE MET A 92 5.225 -7.809 16.153 1.00 0.00 C ATOM 0 H MET A 92 2.502 -8.636 15.499 1.00 0.00 H new ATOM 0 HA MET A 92 3.389 -9.013 12.877 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.889 -10.073 15.560 1.00 0.00 H new ATOM 0 HB3 MET A 92 4.055 -11.318 14.337 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.040 -10.510 13.687 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.362 -8.918 13.409 1.00 0.00 H new ATOM 0 HE1 MET A 92 5.789 -6.911 16.407 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.509 -7.577 15.364 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.691 -8.163 17.035 1.00 0.00 H new ATOM 1423 N ALA A 93 1.921 -10.651 11.761 1.00 0.00 N ATOM 1424 CA ALA A 93 1.081 -11.623 11.071 1.00 0.00 C ATOM 1425 C ALA A 93 1.861 -12.384 10.005 1.00 0.00 C ATOM 1426 O ALA A 93 2.443 -11.789 9.101 1.00 0.00 O ATOM 1427 CB ALA A 93 -0.122 -10.930 10.450 1.00 0.00 C ATOM 0 H ALA A 93 2.381 -9.977 11.149 1.00 0.00 H new ATOM 0 HA ALA A 93 0.736 -12.347 11.809 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.742 -11.666 9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.706 -10.445 11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.219 -10.181 9.735 1.00 0.00 H new ATOM 1433 N HIS A 94 1.860 -13.709 10.118 1.00 0.00 N ATOM 1434 CA HIS A 94 2.563 -14.561 9.166 1.00 0.00 C ATOM 1435 C HIS A 94 2.049 -14.332 7.748 1.00 0.00 C ATOM 1436 O HIS A 94 0.866 -14.066 7.539 1.00 0.00 O ATOM 1437 CB HIS A 94 2.403 -16.033 9.559 1.00 0.00 C ATOM 1438 CG HIS A 94 2.870 -17.001 8.516 1.00 0.00 C ATOM 1439 ND1 HIS A 94 2.162 -17.261 7.363 1.00 0.00 N ATOM 1440 CD2 HIS A 94 3.974 -17.783 8.461 1.00 0.00 C ATOM 1441 CE1 HIS A 94 2.807 -18.162 6.645 1.00 0.00 C ATOM 1442 NE2 HIS A 94 3.911 -18.496 7.289 1.00 0.00 N ATOM 0 H HIS A 94 1.379 -14.216 10.861 1.00 0.00 H new ATOM 0 HA HIS A 94 3.621 -14.301 9.189 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.957 -16.214 10.480 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.353 -16.228 9.775 1.00 0.00 H new ATOM 0 HD1 HIS A 94 1.277 -16.825 7.104 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.758 -17.836 9.201 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.486 -18.559 5.693 1.00 0.00 H new ATOM 1451 N PHE A 95 2.953 -14.433 6.780 1.00 0.00 N ATOM 1452 CA PHE A 95 2.598 -14.234 5.381 1.00 0.00 C ATOM 1453 C PHE A 95 2.986 -15.440 4.525 1.00 0.00 C ATOM 1454 O PHE A 95 2.375 -15.689 3.487 1.00 0.00 O ATOM 1455 CB PHE A 95 3.275 -12.968 4.845 1.00 0.00 C ATOM 1456 CG PHE A 95 3.027 -12.723 3.383 1.00 0.00 C ATOM 1457 CD1 PHE A 95 1.770 -12.352 2.934 1.00 0.00 C ATOM 1458 CD2 PHE A 95 4.050 -12.862 2.460 1.00 0.00 C ATOM 1459 CE1 PHE A 95 1.537 -12.125 1.591 1.00 0.00 C ATOM 1460 CE2 PHE A 95 3.824 -12.638 1.115 1.00 0.00 C ATOM 1461 CZ PHE A 95 2.566 -12.268 0.680 1.00 0.00 C ATOM 0 H PHE A 95 3.937 -14.651 6.939 1.00 0.00 H new ATOM 0 HA PHE A 95 1.516 -14.120 5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.920 -12.108 5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.349 -13.041 5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.962 -12.239 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.036 -13.149 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.552 -11.836 1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.630 -12.752 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.387 -12.091 -0.370 1.00 0.00 H new ATOM 1471 N LYS A 96 4.000 -16.189 4.961 1.00 0.00 N ATOM 1472 CA LYS A 96 4.451 -17.363 4.219 1.00 0.00 C ATOM 1473 C LYS A 96 5.623 -18.035 4.923 1.00 0.00 C ATOM 1474 O LYS A 96 6.540 -17.364 5.395 1.00 0.00 O ATOM 1475 CB LYS A 96 4.860 -16.974 2.795 1.00 0.00 C ATOM 1476 CG LYS A 96 6.025 -16.001 2.740 1.00 0.00 C ATOM 1477 CD LYS A 96 6.617 -15.919 1.343 1.00 0.00 C ATOM 1478 CE LYS A 96 7.025 -14.497 0.992 1.00 0.00 C ATOM 1479 NZ LYS A 96 7.529 -14.392 -0.404 1.00 0.00 N ATOM 0 H LYS A 96 4.520 -16.004 5.819 1.00 0.00 H new ATOM 0 HA LYS A 96 3.620 -18.067 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.125 -17.876 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.003 -16.530 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.690 -15.012 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.795 -16.314 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.485 -16.575 1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.889 -16.279 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.171 -13.832 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.798 -14.160 1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.070 -13.511 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.144 -15.204 -0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.725 -14.388 -1.064 1.00 0.00 H new ATOM 1493 N ASP A 97 5.587 -19.364 4.989 1.00 0.00 N ATOM 1494 CA ASP A 97 6.646 -20.134 5.637 1.00 0.00 C ATOM 1495 C ASP A 97 6.947 -19.584 7.031 1.00 0.00 C ATOM 1496 O ASP A 97 6.361 -20.028 8.019 1.00 0.00 O ATOM 1497 CB ASP A 97 7.912 -20.131 4.774 1.00 0.00 C ATOM 1498 CG ASP A 97 8.058 -21.399 3.957 1.00 0.00 C ATOM 1499 OD1 ASP A 97 7.027 -21.922 3.483 1.00 0.00 O ATOM 1500 OD2 ASP A 97 9.203 -21.871 3.792 1.00 0.00 O ATOM 0 H ASP A 97 4.834 -19.931 4.600 1.00 0.00 H new ATOM 0 HA ASP A 97 6.301 -21.162 5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.890 -19.271 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.785 -20.013 5.415 1.00 0.00 H new ATOM 1505 N ASP A 98 7.855 -18.615 7.107 1.00 0.00 N ATOM 1506 CA ASP A 98 8.215 -18.011 8.385 1.00 0.00 C ATOM 1507 C ASP A 98 8.227 -16.485 8.305 1.00 0.00 C ATOM 1508 O ASP A 98 8.315 -15.808 9.330 1.00 0.00 O ATOM 1509 CB ASP A 98 9.581 -18.520 8.847 1.00 0.00 C ATOM 1510 CG ASP A 98 9.492 -19.861 9.548 1.00 0.00 C ATOM 1511 OD1 ASP A 98 8.420 -20.165 10.113 1.00 0.00 O ATOM 1512 OD2 ASP A 98 10.493 -20.607 9.532 1.00 0.00 O ATOM 0 H ASP A 98 8.353 -18.233 6.303 1.00 0.00 H new ATOM 0 HA ASP A 98 7.456 -18.303 9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.243 -18.607 7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.029 -17.790 9.521 1.00 0.00 H new ATOM 1517 N LEU A 99 8.131 -15.941 7.094 1.00 0.00 N ATOM 1518 CA LEU A 99 8.126 -14.496 6.916 1.00 0.00 C ATOM 1519 C LEU A 99 6.782 -13.918 7.339 1.00 0.00 C ATOM 1520 O LEU A 99 5.741 -14.268 6.782 1.00 0.00 O ATOM 1521 CB LEU A 99 8.416 -14.137 5.457 1.00 0.00 C ATOM 1522 CG LEU A 99 9.898 -14.035 5.098 1.00 0.00 C ATOM 1523 CD1 LEU A 99 10.068 -13.623 3.644 1.00 0.00 C ATOM 1524 CD2 LEU A 99 10.603 -13.050 6.019 1.00 0.00 C ATOM 0 H LEU A 99 8.056 -16.476 6.229 1.00 0.00 H new ATOM 0 HA LEU A 99 8.908 -14.067 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.953 -14.887 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.937 -13.184 5.231 1.00 0.00 H new ATOM 0 HG LEU A 99 10.353 -15.016 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.130 -13.556 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.598 -14.365 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.598 -12.653 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.657 -12.990 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.146 -12.066 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.512 -13.388 7.051 1.00 0.00 H new ATOM 1536 N VAL A 100 6.808 -13.036 8.331 1.00 0.00 N ATOM 1537 CA VAL A 100 5.590 -12.418 8.830 1.00 0.00 C ATOM 1538 C VAL A 100 5.532 -10.939 8.485 1.00 0.00 C ATOM 1539 O VAL A 100 6.433 -10.399 7.844 1.00 0.00 O ATOM 1540 CB VAL A 100 5.458 -12.569 10.359 1.00 0.00 C ATOM 1541 CG1 VAL A 100 5.446 -14.035 10.765 1.00 0.00 C ATOM 1542 CG2 VAL A 100 6.567 -11.818 11.082 1.00 0.00 C ATOM 0 H VAL A 100 7.660 -12.734 8.804 1.00 0.00 H new ATOM 0 HA VAL A 100 4.765 -12.938 8.343 1.00 0.00 H new ATOM 0 HB VAL A 100 4.505 -12.129 10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.352 -14.112 11.848 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.602 -14.537 10.291 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.375 -14.508 10.447 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.449 -11.942 12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.535 -12.215 10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.513 -10.759 10.831 1.00 0.00 H new ATOM 1552 N LEU A 101 4.464 -10.292 8.929 1.00 0.00 N ATOM 1553 CA LEU A 101 4.268 -8.872 8.691 1.00 0.00 C ATOM 1554 C LEU A 101 4.088 -8.138 10.015 1.00 0.00 C ATOM 1555 O LEU A 101 3.203 -8.472 10.801 1.00 0.00 O ATOM 1556 CB LEU A 101 3.040 -8.664 7.806 1.00 0.00 C ATOM 1557 CG LEU A 101 3.297 -8.790 6.306 1.00 0.00 C ATOM 1558 CD1 LEU A 101 1.983 -8.809 5.540 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.184 -7.655 5.821 1.00 0.00 C ATOM 0 H LEU A 101 3.714 -10.734 9.461 1.00 0.00 H new ATOM 0 HA LEU A 101 5.146 -8.471 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.278 -9.390 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.629 -7.675 8.007 1.00 0.00 H new ATOM 0 HG LEU A 101 3.814 -9.732 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.185 -8.899 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.383 -9.657 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.438 -7.884 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.357 -7.761 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.694 -6.701 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.138 -7.688 6.347 1.00 0.00 H new ATOM 1571 N VAL A 102 4.932 -7.142 10.261 1.00 0.00 N ATOM 1572 CA VAL A 102 4.858 -6.375 11.499 1.00 0.00 C ATOM 1573 C VAL A 102 4.249 -4.997 11.262 1.00 0.00 C ATOM 1574 O VAL A 102 4.593 -4.319 10.295 1.00 0.00 O ATOM 1575 CB VAL A 102 6.251 -6.195 12.135 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.131 -5.576 13.518 1.00 0.00 C ATOM 1577 CG2 VAL A 102 6.991 -7.523 12.200 1.00 0.00 C ATOM 0 H VAL A 102 5.672 -6.848 9.623 1.00 0.00 H new ATOM 0 HA VAL A 102 4.221 -6.942 12.178 1.00 0.00 H new ATOM 0 HB VAL A 102 6.828 -5.517 11.506 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.124 -5.457 13.951 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.650 -4.601 13.440 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.533 -6.226 14.157 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.971 -7.372 12.652 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.419 -8.229 12.802 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.114 -7.921 11.193 1.00 0.00 H new ATOM 1587 N PRO A 103 3.343 -4.551 12.153 1.00 0.00 N ATOM 1588 CA PRO A 103 2.703 -3.238 12.037 1.00 0.00 C ATOM 1589 C PRO A 103 3.727 -2.137 11.782 1.00 0.00 C ATOM 1590 O PRO A 103 4.675 -1.973 12.548 1.00 0.00 O ATOM 1591 CB PRO A 103 2.020 -3.037 13.401 1.00 0.00 C ATOM 1592 CG PRO A 103 2.504 -4.154 14.271 1.00 0.00 C ATOM 1593 CD PRO A 103 2.883 -5.273 13.345 1.00 0.00 C ATOM 0 HA PRO A 103 2.006 -3.192 11.200 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.279 -2.068 13.829 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.935 -3.061 13.302 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.358 -3.838 14.870 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.727 -4.471 14.966 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.667 -5.902 13.767 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.036 -5.923 13.125 1.00 0.00 H new ATOM 1601 N LEU A 104 3.543 -1.395 10.694 1.00 0.00 N ATOM 1602 CA LEU A 104 4.473 -0.329 10.345 1.00 0.00 C ATOM 1603 C LEU A 104 3.773 1.026 10.239 1.00 0.00 C ATOM 1604 O LEU A 104 4.207 1.999 10.856 1.00 0.00 O ATOM 1605 CB LEU A 104 5.176 -0.664 9.029 1.00 0.00 C ATOM 1606 CG LEU A 104 6.547 -0.017 8.844 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.487 -0.422 9.969 1.00 0.00 C ATOM 1608 CD2 LEU A 104 7.136 -0.395 7.492 1.00 0.00 C ATOM 0 H LEU A 104 2.765 -1.511 10.045 1.00 0.00 H new ATOM 0 HA LEU A 104 5.210 -0.254 11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.290 -1.746 8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.533 -0.359 8.204 1.00 0.00 H new ATOM 0 HG LEU A 104 6.423 1.065 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.458 0.049 9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.071 -0.100 10.924 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.606 -1.505 9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.113 0.075 7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.245 -1.478 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.473 -0.053 6.698 1.00 0.00 H new ATOM 1620 N THR A 105 2.696 1.097 9.459 1.00 0.00 N ATOM 1621 CA THR A 105 1.970 2.355 9.300 1.00 0.00 C ATOM 1622 C THR A 105 0.521 2.132 8.885 1.00 0.00 C ATOM 1623 O THR A 105 0.243 1.452 7.900 1.00 0.00 O ATOM 1624 CB THR A 105 2.674 3.244 8.274 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.050 3.374 8.585 1.00 0.00 O ATOM 1626 CG2 THR A 105 2.090 4.638 8.189 1.00 0.00 C ATOM 0 H THR A 105 2.311 0.311 8.935 1.00 0.00 H new ATOM 0 HA THR A 105 1.963 2.851 10.271 1.00 0.00 H new ATOM 0 HB THR A 105 2.530 2.748 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.190 3.179 9.535 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.635 5.216 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.040 4.576 7.903 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.174 5.127 9.159 1.00 0.00 H new ATOM 1634 N THR A 106 -0.397 2.727 9.645 1.00 0.00 N ATOM 1635 CA THR A 106 -1.824 2.614 9.364 1.00 0.00 C ATOM 1636 C THR A 106 -2.426 3.984 9.073 1.00 0.00 C ATOM 1637 O THR A 106 -2.407 4.876 9.922 1.00 0.00 O ATOM 1638 CB THR A 106 -2.553 1.965 10.545 1.00 0.00 C ATOM 1639 OG1 THR A 106 -2.046 0.667 10.795 1.00 0.00 O ATOM 1640 CG2 THR A 106 -4.049 1.841 10.332 1.00 0.00 C ATOM 0 H THR A 106 -0.175 3.294 10.463 1.00 0.00 H new ATOM 0 HA THR A 106 -1.947 1.984 8.483 1.00 0.00 H new ATOM 0 HB THR A 106 -2.377 2.628 11.392 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.523 0.270 11.553 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.503 1.373 11.206 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.479 2.832 10.186 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.242 1.228 9.451 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.960 4.146 7.867 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.567 5.410 7.464 1.00 0.00 C ATOM 1650 C LYS A 107 -4.939 5.185 6.838 1.00 0.00 C ATOM 1651 O LYS A 107 -5.089 4.382 5.918 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.660 6.143 6.474 1.00 0.00 C ATOM 1653 CG LYS A 107 -1.511 6.884 7.137 1.00 0.00 C ATOM 1654 CD LYS A 107 -0.965 7.983 6.239 1.00 0.00 C ATOM 1655 CE LYS A 107 0.525 8.189 6.455 1.00 0.00 C ATOM 1656 NZ LYS A 107 0.807 8.952 7.702 1.00 0.00 N ATOM 0 H LYS A 107 -2.985 3.419 7.152 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.692 6.021 8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.255 5.423 5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.258 6.853 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.850 7.317 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.714 6.181 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.151 7.728 5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.495 8.914 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.022 7.220 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.945 8.721 5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.834 9.070 7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.355 9.887 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.429 8.432 8.520 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.939 5.901 7.343 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.299 5.781 6.832 1.00 0.00 C ATOM 1672 C VAL A 108 -7.654 6.958 5.930 1.00 0.00 C ATOM 1673 O VAL A 108 -7.297 8.102 6.216 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.325 5.698 7.978 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.708 5.375 7.434 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -7.896 4.664 9.005 1.00 0.00 C ATOM 0 H VAL A 108 -5.832 6.570 8.105 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.338 4.859 6.252 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.370 6.669 8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.419 5.320 8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -10.017 6.156 6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.680 4.417 6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.633 4.620 9.807 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.820 3.687 8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.927 4.942 9.418 1.00 0.00 H new ATOM 1686 N VAL A 109 -8.358 6.672 4.839 1.00 0.00 N ATOM 1687 CA VAL A 109 -8.761 7.708 3.895 1.00 0.00 C ATOM 1688 C VAL A 109 -10.184 7.475 3.398 1.00 0.00 C ATOM 1689 O VAL A 109 -10.510 6.396 2.901 1.00 0.00 O ATOM 1690 CB VAL A 109 -7.811 7.768 2.685 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -8.126 8.978 1.818 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -6.361 7.796 3.145 1.00 0.00 C ATOM 0 H VAL A 109 -8.661 5.731 4.587 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.715 8.657 4.430 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.960 6.871 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.444 9.004 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -9.153 8.910 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.007 9.888 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.704 7.838 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -6.194 8.674 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.144 6.896 3.720 1.00 0.00 H new ATOM 1702 N GLY A 110 -11.028 8.493 3.536 1.00 0.00 N ATOM 1703 CA GLY A 110 -12.406 8.379 3.096 1.00 0.00 C ATOM 1704 C GLY A 110 -13.223 7.465 3.988 1.00 0.00 C ATOM 1705 O GLY A 110 -13.965 7.931 4.853 1.00 0.00 O ATOM 0 H GLY A 110 -10.782 9.395 3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.862 9.369 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.428 8.000 2.074 1.00 0.00 H new ATOM 1709 N GLY A 111 -13.089 6.161 3.775 1.00 0.00 N ATOM 1710 CA GLY A 111 -13.825 5.199 4.573 1.00 0.00 C ATOM 1711 C GLY A 111 -13.151 3.843 4.612 1.00 0.00 C ATOM 1712 O GLY A 111 -13.813 2.816 4.761 1.00 0.00 O ATOM 0 H GLY A 111 -12.483 5.753 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.930 5.579 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.831 5.090 4.168 1.00 0.00 H new ATOM 1716 N SER A 112 -11.828 3.839 4.476 1.00 0.00 N ATOM 1717 CA SER A 112 -11.063 2.597 4.495 1.00 0.00 C ATOM 1718 C SER A 112 -9.673 2.823 5.080 1.00 0.00 C ATOM 1719 O SER A 112 -9.041 3.850 4.829 1.00 0.00 O ATOM 1720 CB SER A 112 -10.948 2.022 3.082 1.00 0.00 C ATOM 1721 OG SER A 112 -11.151 0.619 3.085 1.00 0.00 O ATOM 0 H SER A 112 -11.265 4.680 4.352 1.00 0.00 H new ATOM 0 HA SER A 112 -11.592 1.884 5.127 1.00 0.00 H new ATOM 0 HB2 SER A 112 -11.682 2.498 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.964 2.250 2.672 1.00 0.00 H new ATOM 0 HG SER A 112 -11.074 0.275 2.170 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.204 1.858 5.863 1.00 0.00 N ATOM 1728 CA ARG A 113 -7.890 1.948 6.488 1.00 0.00 C ATOM 1729 C ARG A 113 -6.801 1.453 5.545 1.00 0.00 C ATOM 1730 O ARG A 113 -7.073 0.726 4.591 1.00 0.00 O ATOM 1731 CB ARG A 113 -7.858 1.128 7.776 1.00 0.00 C ATOM 1732 CG ARG A 113 -9.027 1.403 8.708 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.953 0.550 9.963 1.00 0.00 C ATOM 1734 NE ARG A 113 -9.841 -0.609 9.893 1.00 0.00 N ATOM 1735 CZ ARG A 113 -10.244 -1.300 10.957 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -9.841 -0.954 12.173 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -11.054 -2.339 10.804 1.00 0.00 N ATOM 0 H ARG A 113 -9.716 1.003 6.080 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.702 2.996 6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -7.850 0.068 7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.928 1.335 8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -9.033 2.458 8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.963 1.204 8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.927 0.212 10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.217 1.157 10.829 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.171 -0.906 8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.219 -0.155 12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.153 -1.487 12.985 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.368 -2.608 9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.363 -2.869 11.619 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.566 1.848 5.825 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.430 1.441 5.012 1.00 0.00 C ATOM 1753 C CYS A 114 -3.220 1.142 5.890 1.00 0.00 C ATOM 1754 O CYS A 114 -2.422 2.031 6.180 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.081 2.532 3.998 1.00 0.00 C ATOM 1756 SG CYS A 114 -3.051 1.961 2.625 1.00 0.00 S ATOM 0 H CYS A 114 -5.326 2.452 6.612 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.705 0.533 4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.005 2.949 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.564 3.341 4.514 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.808 1.641 1.618 1.00 0.00 H new ATOM 1762 N THR A 115 -3.087 -0.112 6.315 1.00 0.00 N ATOM 1763 CA THR A 115 -1.965 -0.501 7.159 1.00 0.00 C ATOM 1764 C THR A 115 -0.842 -1.109 6.330 1.00 0.00 C ATOM 1765 O THR A 115 -1.085 -1.842 5.371 1.00 0.00 O ATOM 1766 CB THR A 115 -2.394 -1.497 8.235 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.403 -0.943 9.061 1.00 0.00 O ATOM 1768 CG2 THR A 115 -1.250 -1.923 9.129 1.00 0.00 C ATOM 0 H THR A 115 -3.735 -0.867 6.091 1.00 0.00 H new ATOM 0 HA THR A 115 -1.603 0.406 7.644 1.00 0.00 H new ATOM 0 HB THR A 115 -2.766 -2.369 7.697 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.988 -0.462 9.807 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.614 -2.630 9.874 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.475 -2.397 8.527 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.836 -1.049 9.631 1.00 0.00 H new ATOM 1776 N ILE A 116 0.386 -0.809 6.723 1.00 0.00 N ATOM 1777 CA ILE A 116 1.561 -1.330 6.044 1.00 0.00 C ATOM 1778 C ILE A 116 2.451 -2.042 7.058 1.00 0.00 C ATOM 1779 O ILE A 116 2.656 -1.543 8.164 1.00 0.00 O ATOM 1780 CB ILE A 116 2.325 -0.192 5.314 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.461 -0.508 3.826 1.00 0.00 C ATOM 1782 CG2 ILE A 116 3.697 0.069 5.923 1.00 0.00 C ATOM 1783 CD1 ILE A 116 3.117 0.605 3.042 1.00 0.00 C ATOM 0 H ILE A 116 0.595 -0.202 7.516 1.00 0.00 H new ATOM 0 HA ILE A 116 1.254 -2.048 5.283 1.00 0.00 H new ATOM 0 HB ILE A 116 1.736 0.717 5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.044 -1.421 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.473 -0.704 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 116 4.190 0.873 5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.582 0.357 6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.301 -0.836 5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.185 0.320 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.522 1.514 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.118 0.785 3.434 1.00 0.00 H new ATOM 1795 N CYS A 117 2.950 -3.221 6.701 1.00 0.00 N ATOM 1796 CA CYS A 117 3.776 -3.986 7.627 1.00 0.00 C ATOM 1797 C CYS A 117 5.050 -4.507 6.975 1.00 0.00 C ATOM 1798 O CYS A 117 5.021 -5.048 5.871 1.00 0.00 O ATOM 1799 CB CYS A 117 2.972 -5.162 8.180 1.00 0.00 C ATOM 1800 SG CYS A 117 1.503 -4.677 9.115 1.00 0.00 S ATOM 0 H CYS A 117 2.800 -3.661 5.793 1.00 0.00 H new ATOM 0 HA CYS A 117 4.070 -3.313 8.432 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.667 -5.802 7.352 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.618 -5.759 8.823 1.00 0.00 H new ATOM 0 HG CYS A 117 0.444 -4.853 8.382 1.00 0.00 H new ATOM 1806 N ASP A 118 6.164 -4.365 7.688 1.00 0.00 N ATOM 1807 CA ASP A 118 7.449 -4.845 7.202 1.00 0.00 C ATOM 1808 C ASP A 118 7.469 -6.368 7.213 1.00 0.00 C ATOM 1809 O ASP A 118 6.928 -6.995 8.124 1.00 0.00 O ATOM 1810 CB ASP A 118 8.587 -4.299 8.066 1.00 0.00 C ATOM 1811 CG ASP A 118 9.940 -4.438 7.397 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.075 -5.303 6.506 1.00 0.00 O ATOM 1813 OD2 ASP A 118 10.864 -3.681 7.762 1.00 0.00 O ATOM 0 H ASP A 118 6.200 -3.920 8.605 1.00 0.00 H new ATOM 0 HA ASP A 118 7.591 -4.492 6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.400 -3.248 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.601 -4.827 9.020 1.00 0.00 H new ATOM 1818 N VAL A 119 8.088 -6.960 6.202 1.00 0.00 N ATOM 1819 CA VAL A 119 8.163 -8.409 6.109 1.00 0.00 C ATOM 1820 C VAL A 119 9.425 -8.919 6.792 1.00 0.00 C ATOM 1821 O VAL A 119 10.537 -8.596 6.379 1.00 0.00 O ATOM 1822 CB VAL A 119 8.139 -8.883 4.643 1.00 0.00 C ATOM 1823 CG1 VAL A 119 7.740 -10.348 4.564 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.191 -8.019 3.814 1.00 0.00 C ATOM 0 H VAL A 119 8.544 -6.461 5.438 1.00 0.00 H new ATOM 0 HA VAL A 119 7.287 -8.816 6.614 1.00 0.00 H new ATOM 0 HB VAL A 119 9.143 -8.779 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.728 -10.666 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.458 -10.951 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 119 6.747 -10.478 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.188 -8.369 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.183 -8.088 4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.524 -6.982 3.844 1.00 0.00 H new ATOM 1834 N VAL A 120 9.248 -9.703 7.849 1.00 0.00 N ATOM 1835 CA VAL A 120 10.385 -10.234 8.590 1.00 0.00 C ATOM 1836 C VAL A 120 10.159 -11.686 8.990 1.00 0.00 C ATOM 1837 O VAL A 120 9.026 -12.113 9.194 1.00 0.00 O ATOM 1838 CB VAL A 120 10.667 -9.393 9.852 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.560 -8.209 9.514 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.366 -8.918 10.483 1.00 0.00 C ATOM 0 H VAL A 120 8.336 -9.983 8.210 1.00 0.00 H new ATOM 0 HA VAL A 120 11.249 -10.183 7.927 1.00 0.00 H new ATOM 0 HB VAL A 120 11.187 -10.022 10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.749 -7.627 10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.506 -8.570 9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.066 -7.581 8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.587 -8.327 11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.817 -8.306 9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 120 8.761 -9.781 10.763 1.00 0.00 H new ATOM 1850 N LYS A 121 11.247 -12.441 9.098 1.00 0.00 N ATOM 1851 CA LYS A 121 11.167 -13.849 9.467 1.00 0.00 C ATOM 1852 C LYS A 121 10.858 -14.009 10.952 1.00 0.00 C ATOM 1853 O LYS A 121 11.400 -13.291 11.792 1.00 0.00 O ATOM 1854 CB LYS A 121 12.477 -14.561 9.124 1.00 0.00 C ATOM 1855 CG LYS A 121 12.492 -16.033 9.504 1.00 0.00 C ATOM 1856 CD LYS A 121 12.358 -16.927 8.283 1.00 0.00 C ATOM 1857 CE LYS A 121 13.627 -16.919 7.445 1.00 0.00 C ATOM 1858 NZ LYS A 121 13.379 -17.394 6.056 1.00 0.00 N ATOM 0 H LYS A 121 12.195 -12.101 8.935 1.00 0.00 H new ATOM 0 HA LYS A 121 10.355 -14.302 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.660 -14.470 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.298 -14.056 9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.420 -16.265 10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.677 -16.239 10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.136 -17.946 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 121 11.517 -16.592 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.036 -15.909 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.377 -17.553 7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.269 -17.373 5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.013 -18.367 6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.682 -16.774 5.596 1.00 0.00 H new ATOM 1872 N GLU A 122 9.981 -14.958 11.265 1.00 0.00 N ATOM 1873 CA GLU A 122 9.590 -15.222 12.645 1.00 0.00 C ATOM 1874 C GLU A 122 10.805 -15.561 13.503 1.00 0.00 C ATOM 1875 O GLU A 122 11.698 -16.291 13.071 1.00 0.00 O ATOM 1876 CB GLU A 122 8.577 -16.368 12.696 1.00 0.00 C ATOM 1877 CG GLU A 122 9.141 -17.700 12.228 1.00 0.00 C ATOM 1878 CD GLU A 122 9.508 -18.614 13.380 1.00 0.00 C ATOM 1879 OE1 GLU A 122 8.863 -18.516 14.445 1.00 0.00 O ATOM 1880 OE2 GLU A 122 10.441 -19.428 13.218 1.00 0.00 O ATOM 0 H GLU A 122 9.526 -15.559 10.578 1.00 0.00 H new ATOM 0 HA GLU A 122 9.130 -14.319 13.046 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.214 -16.476 13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 122 7.717 -16.110 12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.408 -18.198 11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 122 10.024 -17.521 11.615 1.00 0.00 H new