USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 49 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 140:sc= 0.993 (180deg=0) USER MOD Set 2.2: A 27 TYR OH : rot 180:sc= 0.856 USER MOD Set 3.1: A 20 SER OG : rot -10:sc= 0.408! USER MOD Set 3.2: A 22 THR OG1 : rot -33:sc= 0.271 USER MOD Set 3.3: A 64 GLN :FLIP amide:sc= 0.266 F(o=-1.4,f=0.95) USER MOD Single : A 16 SER OG : rot -60:sc= 0.00053 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -8.32! C(o=-8.3!,f=-8.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 41 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.16) USER MOD Single : A 46 HIS : no HD1:sc= -2.32! K(o=-2.3!,f=-2.9) USER MOD Single : A 51 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.012) USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -0.0355 (180deg=-0.28) USER MOD Single : A 59 ASN : amide:sc= -0.0744 X(o=-0.074,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0182 F(o=-1.2,f=-0.018) USER MOD Single : A 62 GLN : amide:sc= -3.98 K(o=-4,f=-8.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.8!) USER MOD Single : A 74 THR OG1 : rot 179:sc= -0.225 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 1.914 -12.910 11.371 1.00 0.00 N ATOM 160 CA LEU A 14 1.938 -12.535 9.962 1.00 0.00 C ATOM 161 C LEU A 14 0.993 -11.368 9.692 1.00 0.00 C ATOM 162 O LEU A 14 1.387 -10.361 9.104 1.00 0.00 O ATOM 163 CB LEU A 14 1.552 -13.730 9.089 1.00 0.00 C ATOM 164 CG LEU A 14 2.507 -14.923 9.124 1.00 0.00 C ATOM 165 CD1 LEU A 14 1.895 -16.118 8.410 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.844 -14.553 8.497 1.00 0.00 C ATOM 0 HA LEU A 14 2.952 -12.223 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.563 -14.073 9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.467 -13.388 8.057 1.00 0.00 H new ATOM 0 HG LEU A 14 2.679 -15.197 10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.589 -16.958 8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.963 -16.397 8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.694 -15.857 7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.512 -15.414 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.689 -14.253 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.289 -13.727 9.051 1.00 0.00 H new ATOM 178 N ARG A 15 -0.254 -11.511 10.129 1.00 0.00 N ATOM 179 CA ARG A 15 -1.255 -10.467 9.936 1.00 0.00 C ATOM 180 C ARG A 15 -0.820 -9.167 10.604 1.00 0.00 C ATOM 181 O ARG A 15 -1.388 -8.105 10.347 1.00 0.00 O ATOM 182 CB ARG A 15 -2.605 -10.916 10.499 1.00 0.00 C ATOM 183 CG ARG A 15 -2.548 -11.333 11.959 1.00 0.00 C ATOM 184 CD ARG A 15 -3.941 -11.479 12.551 1.00 0.00 C ATOM 185 NE ARG A 15 -4.479 -12.823 12.360 1.00 0.00 N ATOM 186 CZ ARG A 15 -5.061 -13.229 11.237 1.00 0.00 C ATOM 187 NH1 ARG A 15 -5.181 -12.398 10.211 1.00 0.00 N ATOM 188 NH2 ARG A 15 -5.525 -14.468 11.140 1.00 0.00 N ATOM 0 H ARG A 15 -0.596 -12.338 10.618 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.356 -10.289 8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.323 -10.103 10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.977 -11.751 9.906 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.013 -12.278 12.048 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.985 -10.593 12.528 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.908 -11.250 13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.609 -10.752 12.089 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.404 -13.486 13.131 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.826 -11.444 10.283 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.628 -12.712 9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.435 -15.109 11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.972 -14.779 10.277 1.00 0.00 H new ATOM 202 N SER A 16 0.191 -9.258 11.463 1.00 0.00 N ATOM 203 CA SER A 16 0.699 -8.089 12.171 1.00 0.00 C ATOM 204 C SER A 16 1.971 -7.564 11.512 1.00 0.00 C ATOM 205 O SER A 16 2.897 -7.119 12.190 1.00 0.00 O ATOM 206 CB SER A 16 0.975 -8.434 13.636 1.00 0.00 C ATOM 207 OG SER A 16 0.937 -7.274 14.449 1.00 0.00 O ATOM 0 H SER A 16 0.674 -10.129 11.685 1.00 0.00 H new ATOM 0 HA SER A 16 -0.061 -7.309 12.125 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.236 -9.154 13.989 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.951 -8.911 13.723 1.00 0.00 H new ATOM 0 HG SER A 16 1.614 -6.636 14.140 1.00 0.00 H new ATOM 213 N PHE A 17 2.009 -7.621 10.185 1.00 0.00 N ATOM 214 CA PHE A 17 3.167 -7.153 9.433 1.00 0.00 C ATOM 215 C PHE A 17 2.916 -5.763 8.857 1.00 0.00 C ATOM 216 O PHE A 17 1.953 -5.547 8.121 1.00 0.00 O ATOM 217 CB PHE A 17 3.498 -8.133 8.305 1.00 0.00 C ATOM 218 CG PHE A 17 4.219 -7.496 7.151 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.524 -6.769 6.199 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.592 -7.625 7.019 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.184 -6.183 5.136 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.258 -7.041 5.958 1.00 0.00 C ATOM 223 CZ PHE A 17 5.553 -6.319 5.015 1.00 0.00 C ATOM 0 H PHE A 17 1.251 -7.987 9.608 1.00 0.00 H new ATOM 0 HA PHE A 17 4.014 -7.096 10.116 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.111 -8.941 8.705 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.574 -8.583 7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.453 -6.659 6.289 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.148 -8.188 7.754 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.630 -5.619 4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.329 -7.149 5.866 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.071 -5.862 4.185 1.00 0.00 H new ATOM 233 N LYS A 18 3.790 -4.821 9.198 1.00 0.00 N ATOM 234 CA LYS A 18 3.666 -3.451 8.715 1.00 0.00 C ATOM 235 C LYS A 18 4.728 -3.147 7.664 1.00 0.00 C ATOM 236 O LYS A 18 5.925 -3.283 7.918 1.00 0.00 O ATOM 237 CB LYS A 18 3.789 -2.466 9.880 1.00 0.00 C ATOM 238 CG LYS A 18 3.406 -1.041 9.515 1.00 0.00 C ATOM 239 CD LYS A 18 3.001 -0.242 10.742 1.00 0.00 C ATOM 240 CE LYS A 18 1.568 -0.541 11.153 1.00 0.00 C ATOM 241 NZ LYS A 18 1.046 0.467 12.119 1.00 0.00 N ATOM 0 H LYS A 18 4.592 -4.982 9.807 1.00 0.00 H new ATOM 0 HA LYS A 18 2.684 -3.341 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.156 -2.805 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.816 -2.475 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.246 -0.552 9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.583 -1.056 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.674 -0.475 11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.107 0.823 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.932 -0.559 10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.518 -1.533 11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.067 0.228 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.637 0.466 12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.069 1.411 11.683 1.00 0.00 H new ATOM 255 N LEU A 19 4.282 -2.730 6.483 1.00 0.00 N ATOM 256 CA LEU A 19 5.195 -2.404 5.393 1.00 0.00 C ATOM 257 C LEU A 19 5.248 -0.898 5.160 1.00 0.00 C ATOM 258 O LEU A 19 4.244 -0.200 5.309 1.00 0.00 O ATOM 259 CB LEU A 19 4.763 -3.116 4.110 1.00 0.00 C ATOM 260 CG LEU A 19 5.393 -2.603 2.814 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.807 -3.140 2.658 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.538 -2.991 1.617 1.00 0.00 C ATOM 0 H LEU A 19 3.295 -2.610 6.257 1.00 0.00 H new ATOM 0 HA LEU A 19 6.192 -2.745 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.997 -4.176 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.680 -3.036 4.021 1.00 0.00 H new ATOM 0 HG LEU A 19 5.444 -1.515 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.239 -2.764 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.416 -2.812 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.782 -4.229 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.001 -2.618 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.456 -4.077 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.544 -2.557 1.724 1.00 0.00 H new ATOM 274 N SER A 20 6.425 -0.401 4.791 1.00 0.00 N ATOM 275 CA SER A 20 6.608 1.022 4.538 1.00 0.00 C ATOM 276 C SER A 20 7.043 1.267 3.096 1.00 0.00 C ATOM 277 O SER A 20 8.132 0.863 2.686 1.00 0.00 O ATOM 278 CB SER A 20 7.646 1.604 5.500 1.00 0.00 C ATOM 279 OG SER A 20 8.951 1.517 4.956 1.00 0.00 O ATOM 0 H SER A 20 7.266 -0.964 4.661 1.00 0.00 H new ATOM 0 HA SER A 20 5.652 1.519 4.701 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.406 2.646 5.712 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.608 1.069 6.449 1.00 0.00 H new ATOM 0 HG SER A 20 8.934 0.954 4.154 1.00 0.00 H new ATOM 285 N VAL A 21 6.183 1.929 2.329 1.00 0.00 N ATOM 286 CA VAL A 21 6.476 2.229 0.933 1.00 0.00 C ATOM 287 C VAL A 21 6.906 3.681 0.760 1.00 0.00 C ATOM 288 O VAL A 21 6.266 4.596 1.281 1.00 0.00 O ATOM 289 CB VAL A 21 5.258 1.955 0.031 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.634 2.104 -1.436 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.692 0.570 0.307 1.00 0.00 C ATOM 0 H VAL A 21 5.277 2.268 2.651 1.00 0.00 H new ATOM 0 HA VAL A 21 7.294 1.573 0.635 1.00 0.00 H new ATOM 0 HB VAL A 21 4.486 2.690 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.760 1.907 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.988 3.118 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.423 1.394 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.832 0.393 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.456 -0.182 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.382 0.505 1.350 1.00 0.00 H new ATOM 301 N THR A 22 7.995 3.887 0.026 1.00 0.00 N ATOM 302 CA THR A 22 8.511 5.229 -0.214 1.00 0.00 C ATOM 303 C THR A 22 7.922 5.825 -1.488 1.00 0.00 C ATOM 304 O THR A 22 8.275 5.420 -2.596 1.00 0.00 O ATOM 305 CB THR A 22 10.048 5.229 -0.324 1.00 0.00 C ATOM 306 OG1 THR A 22 10.618 4.525 0.784 1.00 0.00 O ATOM 307 CG2 THR A 22 10.588 6.650 -0.363 1.00 0.00 C ATOM 0 H THR A 22 8.536 3.142 -0.412 1.00 0.00 H new ATOM 0 HA THR A 22 8.215 5.838 0.640 1.00 0.00 H new ATOM 0 HB THR A 22 10.324 4.728 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.062 4.661 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.675 6.624 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.175 7.173 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.302 7.173 0.549 1.00 0.00 H new ATOM 315 N VAL A 23 7.022 6.789 -1.323 1.00 0.00 N ATOM 316 CA VAL A 23 6.385 7.442 -2.460 1.00 0.00 C ATOM 317 C VAL A 23 6.009 8.882 -2.128 1.00 0.00 C ATOM 318 O VAL A 23 5.394 9.151 -1.096 1.00 0.00 O ATOM 319 CB VAL A 23 5.121 6.683 -2.908 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.473 7.379 -4.095 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.458 5.239 -3.243 1.00 0.00 C ATOM 0 H VAL A 23 6.718 7.135 -0.413 1.00 0.00 H new ATOM 0 HA VAL A 23 7.110 7.438 -3.274 1.00 0.00 H new ATOM 0 HB VAL A 23 4.407 6.683 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.582 6.829 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.194 8.395 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.178 7.413 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.554 4.718 -3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.190 5.214 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.872 4.748 -2.362 1.00 0.00 H new ATOM 331 N ASP A 24 6.381 9.803 -3.009 1.00 0.00 N ATOM 332 CA ASP A 24 6.083 11.217 -2.811 1.00 0.00 C ATOM 333 C ASP A 24 4.641 11.407 -2.348 1.00 0.00 C ATOM 334 O ASP A 24 3.719 10.744 -2.821 1.00 0.00 O ATOM 335 CB ASP A 24 6.324 11.997 -4.103 1.00 0.00 C ATOM 336 CG ASP A 24 6.420 13.492 -3.867 1.00 0.00 C ATOM 337 OD1 ASP A 24 5.371 14.121 -3.615 1.00 0.00 O ATOM 338 OD2 ASP A 24 7.543 14.033 -3.937 1.00 0.00 O ATOM 0 H ASP A 24 6.890 9.596 -3.868 1.00 0.00 H new ATOM 0 HA ASP A 24 6.748 11.599 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.244 11.646 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.514 11.794 -4.803 1.00 0.00 H new ATOM 343 N PRO A 25 4.442 12.335 -1.399 1.00 0.00 N ATOM 344 CA PRO A 25 3.116 12.634 -0.852 1.00 0.00 C ATOM 345 C PRO A 25 2.216 13.334 -1.863 1.00 0.00 C ATOM 346 O PRO A 25 1.067 13.662 -1.565 1.00 0.00 O ATOM 347 CB PRO A 25 3.420 13.564 0.327 1.00 0.00 C ATOM 348 CG PRO A 25 4.724 14.197 -0.019 1.00 0.00 C ATOM 349 CD PRO A 25 5.496 13.164 -0.790 1.00 0.00 C ATOM 0 HA PRO A 25 2.578 11.729 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.638 14.312 0.454 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.485 13.009 1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.574 15.097 -0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.263 14.496 0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.135 13.621 -1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.143 12.577 -0.138 1.00 0.00 H new ATOM 357 N LYS A 26 2.742 13.559 -3.061 1.00 0.00 N ATOM 358 CA LYS A 26 1.985 14.217 -4.120 1.00 0.00 C ATOM 359 C LYS A 26 1.096 13.220 -4.854 1.00 0.00 C ATOM 360 O LYS A 26 0.045 13.584 -5.383 1.00 0.00 O ATOM 361 CB LYS A 26 2.936 14.895 -5.109 1.00 0.00 C ATOM 362 CG LYS A 26 3.666 13.918 -6.015 1.00 0.00 C ATOM 363 CD LYS A 26 4.554 14.641 -7.015 1.00 0.00 C ATOM 364 CE LYS A 26 5.769 13.807 -7.387 1.00 0.00 C ATOM 365 NZ LYS A 26 6.351 14.227 -8.693 1.00 0.00 N ATOM 0 H LYS A 26 3.691 13.295 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 26 1.349 14.974 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.370 15.595 -5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.669 15.480 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.272 13.243 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.941 13.304 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.980 14.871 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.880 15.592 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.525 13.898 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.486 12.755 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.389 14.207 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.035 13.576 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.036 15.192 -8.919 1.00 0.00 H new ATOM 379 N TYR A 27 1.521 11.963 -4.881 1.00 0.00 N ATOM 380 CA TYR A 27 0.763 10.913 -5.552 1.00 0.00 C ATOM 381 C TYR A 27 -0.171 10.206 -4.574 1.00 0.00 C ATOM 382 O TYR A 27 -1.131 9.549 -4.979 1.00 0.00 O ATOM 383 CB TYR A 27 1.712 9.899 -6.191 1.00 0.00 C ATOM 384 CG TYR A 27 2.616 10.495 -7.245 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.148 11.467 -8.120 1.00 0.00 C ATOM 386 CD2 TYR A 27 3.940 10.088 -7.366 1.00 0.00 C ATOM 387 CE1 TYR A 27 2.971 12.016 -9.086 1.00 0.00 C ATOM 388 CE2 TYR A 27 4.770 10.632 -8.326 1.00 0.00 C ATOM 389 CZ TYR A 27 4.281 11.595 -9.185 1.00 0.00 C ATOM 390 OH TYR A 27 5.104 12.139 -10.144 1.00 0.00 O ATOM 0 H TYR A 27 2.387 11.645 -4.446 1.00 0.00 H new ATOM 0 HA TYR A 27 0.160 11.377 -6.332 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.326 9.447 -5.412 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.125 9.097 -6.639 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.123 11.800 -8.044 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.326 9.333 -6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.590 12.770 -9.759 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.797 10.306 -8.404 1.00 0.00 H new ATOM 0 HH TYR A 27 5.994 11.735 -10.078 1.00 0.00 H new ATOM 400 N HIS A 28 0.115 10.348 -3.284 1.00 0.00 N ATOM 401 CA HIS A 28 -0.699 9.724 -2.247 1.00 0.00 C ATOM 402 C HIS A 28 -2.184 9.930 -2.526 1.00 0.00 C ATOM 403 O HIS A 28 -2.949 8.978 -2.685 1.00 0.00 O ATOM 404 CB HIS A 28 -0.341 10.299 -0.875 1.00 0.00 C ATOM 405 CG HIS A 28 0.691 9.499 -0.141 1.00 0.00 C ATOM 406 ND1 HIS A 28 0.923 9.631 1.211 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.554 8.553 -0.580 1.00 0.00 C ATOM 408 CE1 HIS A 28 1.886 8.801 1.572 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.285 8.135 0.504 1.00 0.00 N ATOM 0 H HIS A 28 0.904 10.890 -2.932 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.492 8.654 -2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.024 11.318 -1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.244 10.356 -0.267 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.429 10.269 1.835 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.650 8.194 -1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.280 8.687 2.571 1.00 0.00 H new ATOM 417 N PRO A 29 -2.605 11.203 -2.587 1.00 0.00 N ATOM 418 CA PRO A 29 -4.003 11.562 -2.847 1.00 0.00 C ATOM 419 C PRO A 29 -4.424 11.251 -4.279 1.00 0.00 C ATOM 420 O PRO A 29 -5.595 11.388 -4.636 1.00 0.00 O ATOM 421 CB PRO A 29 -4.032 13.072 -2.597 1.00 0.00 C ATOM 422 CG PRO A 29 -2.634 13.523 -2.841 1.00 0.00 C ATOM 423 CD PRO A 29 -1.750 12.387 -2.408 1.00 0.00 C ATOM 0 HA PRO A 29 -4.693 10.998 -2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.732 13.571 -3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.349 13.299 -1.579 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.478 13.759 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.412 14.428 -2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.847 12.326 -3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.430 12.499 -1.372 1.00 0.00 H new ATOM 431 N LYS A 30 -3.465 10.831 -5.096 1.00 0.00 N ATOM 432 CA LYS A 30 -3.736 10.497 -6.489 1.00 0.00 C ATOM 433 C LYS A 30 -4.025 9.008 -6.646 1.00 0.00 C ATOM 434 O LYS A 30 -4.779 8.603 -7.531 1.00 0.00 O ATOM 435 CB LYS A 30 -2.548 10.892 -7.370 1.00 0.00 C ATOM 436 CG LYS A 30 -2.430 12.390 -7.596 1.00 0.00 C ATOM 437 CD LYS A 30 -3.286 12.846 -8.765 1.00 0.00 C ATOM 438 CE LYS A 30 -2.887 14.235 -9.239 1.00 0.00 C ATOM 439 NZ LYS A 30 -3.384 14.516 -10.614 1.00 0.00 N ATOM 0 H LYS A 30 -2.491 10.714 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.617 11.055 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.629 10.529 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.640 10.394 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.733 12.920 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.388 12.650 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.188 12.137 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.335 12.848 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.283 14.981 -8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.801 14.327 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.091 15.472 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.986 13.819 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.422 14.453 -10.628 1.00 0.00 H new ATOM 453 N ILE A 31 -3.424 8.198 -5.781 1.00 0.00 N ATOM 454 CA ILE A 31 -3.621 6.754 -5.822 1.00 0.00 C ATOM 455 C ILE A 31 -4.991 6.371 -5.276 1.00 0.00 C ATOM 456 O ILE A 31 -5.635 5.449 -5.778 1.00 0.00 O ATOM 457 CB ILE A 31 -2.535 6.015 -5.020 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.142 6.415 -5.515 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.729 4.510 -5.127 1.00 0.00 C ATOM 460 CD1 ILE A 31 -0.071 6.314 -4.453 1.00 0.00 C ATOM 0 H ILE A 31 -2.796 8.517 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.554 6.456 -6.868 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.623 6.299 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.868 5.779 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.178 7.439 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.953 4.002 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.708 4.240 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.665 4.208 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.889 6.612 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.321 6.971 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.007 5.286 -4.097 1.00 0.00 H new ATOM 472 N ILE A 32 -5.432 7.083 -4.244 1.00 0.00 N ATOM 473 CA ILE A 32 -6.726 6.819 -3.630 1.00 0.00 C ATOM 474 C ILE A 32 -7.825 6.723 -4.684 1.00 0.00 C ATOM 475 O ILE A 32 -8.662 5.822 -4.643 1.00 0.00 O ATOM 476 CB ILE A 32 -7.102 7.912 -2.613 1.00 0.00 C ATOM 477 CG1 ILE A 32 -6.099 7.929 -1.456 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.515 7.690 -2.093 1.00 0.00 C ATOM 479 CD1 ILE A 32 -6.169 9.182 -0.614 1.00 0.00 C ATOM 0 H ILE A 32 -4.911 7.848 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.638 5.865 -3.110 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.069 8.880 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.277 7.063 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.091 7.827 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.765 8.471 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.218 7.723 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.575 6.717 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.431 9.124 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.961 10.052 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.165 9.275 -0.182 1.00 0.00 H new ATOM 491 N GLY A 33 -7.814 7.658 -5.629 1.00 0.00 N ATOM 492 CA GLY A 33 -8.813 7.660 -6.683 1.00 0.00 C ATOM 493 C GLY A 33 -9.800 8.801 -6.542 1.00 0.00 C ATOM 494 O GLY A 33 -9.870 9.445 -5.495 1.00 0.00 O ATOM 0 H GLY A 33 -7.132 8.414 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.316 7.731 -7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.353 6.713 -6.670 1.00 0.00 H new ATOM 498 N ARG A 34 -10.565 9.053 -7.599 1.00 0.00 N ATOM 499 CA ARG A 34 -11.552 10.127 -7.590 1.00 0.00 C ATOM 500 C ARG A 34 -12.317 10.150 -6.272 1.00 0.00 C ATOM 501 O ARG A 34 -12.278 11.136 -5.535 1.00 0.00 O ATOM 502 CB ARG A 34 -12.527 9.961 -8.757 1.00 0.00 C ATOM 503 CG ARG A 34 -11.898 10.211 -10.118 1.00 0.00 C ATOM 504 CD ARG A 34 -11.635 11.690 -10.348 1.00 0.00 C ATOM 505 NE ARG A 34 -10.821 11.924 -11.537 1.00 0.00 N ATOM 506 CZ ARG A 34 -10.323 13.111 -11.866 1.00 0.00 C ATOM 507 NH1 ARG A 34 -10.557 14.167 -11.099 1.00 0.00 N ATOM 508 NH2 ARG A 34 -9.591 13.243 -12.964 1.00 0.00 N ATOM 0 H ARG A 34 -10.521 8.528 -8.473 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.024 11.074 -7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.937 8.951 -8.736 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.363 10.647 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.962 9.658 -10.194 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.557 9.832 -10.899 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.585 12.215 -10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.132 12.108 -9.476 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.624 11.132 -12.149 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.120 14.069 -10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.174 15.077 -11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.410 12.433 -13.557 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.209 14.155 -13.216 1.00 0.00 H new ATOM 522 N LYS A 35 -13.016 9.058 -5.979 1.00 0.00 N ATOM 523 CA LYS A 35 -13.791 8.951 -4.749 1.00 0.00 C ATOM 524 C LYS A 35 -13.054 8.111 -3.712 1.00 0.00 C ATOM 525 O LYS A 35 -13.131 8.377 -2.513 1.00 0.00 O ATOM 526 CB LYS A 35 -15.162 8.336 -5.039 1.00 0.00 C ATOM 527 CG LYS A 35 -15.095 6.890 -5.498 1.00 0.00 C ATOM 528 CD LYS A 35 -16.401 6.448 -6.138 1.00 0.00 C ATOM 529 CE LYS A 35 -17.475 6.188 -5.091 1.00 0.00 C ATOM 530 NZ LYS A 35 -18.808 5.955 -5.712 1.00 0.00 N ATOM 0 H LYS A 35 -13.061 8.234 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.927 9.955 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.775 8.395 -4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.662 8.929 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.280 6.771 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.870 6.247 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.746 7.215 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.233 5.543 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.196 5.321 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.534 7.039 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.513 5.782 -4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.085 6.792 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.758 5.128 -6.341 1.00 0.00 H new ATOM 544 N GLY A 36 -12.337 7.094 -4.182 1.00 0.00 N ATOM 545 CA GLY A 36 -11.594 6.230 -3.283 1.00 0.00 C ATOM 546 C GLY A 36 -11.883 4.761 -3.518 1.00 0.00 C ATOM 547 O GLY A 36 -11.871 3.962 -2.583 1.00 0.00 O ATOM 0 H GLY A 36 -12.258 6.853 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.527 6.412 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.841 6.485 -2.252 1.00 0.00 H new ATOM 551 N ALA A 37 -12.146 4.406 -4.771 1.00 0.00 N ATOM 552 CA ALA A 37 -12.439 3.023 -5.127 1.00 0.00 C ATOM 553 C ALA A 37 -11.173 2.283 -5.548 1.00 0.00 C ATOM 554 O ALA A 37 -10.934 1.151 -5.128 1.00 0.00 O ATOM 555 CB ALA A 37 -13.477 2.973 -6.239 1.00 0.00 C ATOM 0 H ALA A 37 -12.162 5.057 -5.556 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.842 2.525 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.686 1.934 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.394 3.456 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.095 3.493 -7.117 1.00 0.00 H new ATOM 561 N VAL A 38 -10.365 2.931 -6.382 1.00 0.00 N ATOM 562 CA VAL A 38 -9.123 2.336 -6.860 1.00 0.00 C ATOM 563 C VAL A 38 -8.340 1.705 -5.714 1.00 0.00 C ATOM 564 O VAL A 38 -7.849 0.582 -5.828 1.00 0.00 O ATOM 565 CB VAL A 38 -8.235 3.379 -7.562 1.00 0.00 C ATOM 566 CG1 VAL A 38 -6.962 2.731 -8.086 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.000 4.057 -8.689 1.00 0.00 C ATOM 0 H VAL A 38 -10.549 3.868 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.397 1.563 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.954 4.140 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.347 3.484 -8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.407 2.296 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.219 1.948 -8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.357 4.791 -9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.312 3.309 -9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.879 4.557 -8.283 1.00 0.00 H new ATOM 577 N ILE A 39 -8.226 2.436 -4.610 1.00 0.00 N ATOM 578 CA ILE A 39 -7.503 1.948 -3.443 1.00 0.00 C ATOM 579 C ILE A 39 -8.259 0.810 -2.765 1.00 0.00 C ATOM 580 O ILE A 39 -7.654 -0.101 -2.198 1.00 0.00 O ATOM 581 CB ILE A 39 -7.264 3.073 -2.417 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.402 2.563 -1.260 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.590 3.610 -1.902 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.975 2.257 -1.658 1.00 0.00 C ATOM 0 H ILE A 39 -8.625 3.368 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.540 1.581 -3.799 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.732 3.887 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.397 3.309 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.857 1.662 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.405 4.404 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.170 4.007 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.147 2.805 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.423 1.901 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.970 1.489 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.502 3.161 -2.042 1.00 0.00 H new ATOM 596 N THR A 40 -9.585 0.867 -2.828 1.00 0.00 N ATOM 597 CA THR A 40 -10.424 -0.159 -2.221 1.00 0.00 C ATOM 598 C THR A 40 -10.319 -1.475 -2.981 1.00 0.00 C ATOM 599 O THR A 40 -10.252 -2.546 -2.377 1.00 0.00 O ATOM 600 CB THR A 40 -11.900 0.278 -2.176 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.006 1.591 -1.613 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.729 -0.699 -1.355 1.00 0.00 C ATOM 0 H THR A 40 -10.102 1.613 -3.293 1.00 0.00 H new ATOM 0 HA THR A 40 -10.063 -0.301 -1.202 1.00 0.00 H new ATOM 0 HB THR A 40 -12.284 0.288 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.754 2.257 -2.286 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.768 -0.370 -1.338 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.670 -1.691 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.343 -0.737 -0.336 1.00 0.00 H new ATOM 610 N GLN A 41 -10.304 -1.389 -4.307 1.00 0.00 N ATOM 611 CA GLN A 41 -10.206 -2.576 -5.149 1.00 0.00 C ATOM 612 C GLN A 41 -8.900 -3.321 -4.890 1.00 0.00 C ATOM 613 O GLN A 41 -8.886 -4.547 -4.777 1.00 0.00 O ATOM 614 CB GLN A 41 -10.302 -2.189 -6.626 1.00 0.00 C ATOM 615 CG GLN A 41 -10.325 -3.383 -7.567 1.00 0.00 C ATOM 616 CD GLN A 41 -11.601 -4.194 -7.449 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.703 -3.647 -7.481 1.00 0.00 O ATOM 618 NE2 GLN A 41 -11.457 -5.507 -7.312 1.00 0.00 N ATOM 0 H GLN A 41 -10.358 -0.510 -4.822 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.036 -3.237 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.205 -1.598 -6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.456 -1.551 -6.882 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.214 -3.034 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.470 -4.025 -7.355 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.524 -5.918 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.280 -6.104 -7.228 1.00 0.00 H new ATOM 627 N ILE A 42 -7.807 -2.572 -4.798 1.00 0.00 N ATOM 628 CA ILE A 42 -6.497 -3.161 -4.552 1.00 0.00 C ATOM 629 C ILE A 42 -6.432 -3.801 -3.170 1.00 0.00 C ATOM 630 O ILE A 42 -5.887 -4.893 -3.003 1.00 0.00 O ATOM 631 CB ILE A 42 -5.375 -2.113 -4.673 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.362 -1.508 -6.079 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.026 -2.739 -4.349 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.841 -0.088 -6.121 1.00 0.00 C ATOM 0 H ILE A 42 -7.803 -1.556 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.350 -3.928 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.565 -1.315 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.747 -2.131 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.374 -1.527 -6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.244 -1.985 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.040 -3.127 -3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.826 -3.554 -5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.860 0.276 -7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.469 0.549 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.817 -0.065 -5.747 1.00 0.00 H new ATOM 646 N ARG A 43 -6.993 -3.114 -2.179 1.00 0.00 N ATOM 647 CA ARG A 43 -7.000 -3.615 -0.810 1.00 0.00 C ATOM 648 C ARG A 43 -7.736 -4.949 -0.723 1.00 0.00 C ATOM 649 O ARG A 43 -7.203 -5.930 -0.203 1.00 0.00 O ATOM 650 CB ARG A 43 -7.656 -2.597 0.124 1.00 0.00 C ATOM 651 CG ARG A 43 -6.783 -1.387 0.417 1.00 0.00 C ATOM 652 CD ARG A 43 -7.592 -0.249 1.017 1.00 0.00 C ATOM 653 NE ARG A 43 -8.084 -0.572 2.355 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.146 0.005 2.906 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.824 0.928 2.239 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.532 -0.342 4.127 1.00 0.00 N ATOM 0 H ARG A 43 -7.448 -2.209 -2.299 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.966 -3.769 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.592 -2.260 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.908 -3.089 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.986 -1.670 1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.306 -1.050 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.975 0.648 1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.436 -0.022 0.366 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.585 -1.279 2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.531 1.197 1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.639 1.369 2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.013 -1.052 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.348 0.102 4.549 1.00 0.00 H new ATOM 670 N LEU A 44 -8.961 -4.977 -1.235 1.00 0.00 N ATOM 671 CA LEU A 44 -9.770 -6.192 -1.215 1.00 0.00 C ATOM 672 C LEU A 44 -9.136 -7.283 -2.069 1.00 0.00 C ATOM 673 O LEU A 44 -9.142 -8.457 -1.698 1.00 0.00 O ATOM 674 CB LEU A 44 -11.185 -5.893 -1.716 1.00 0.00 C ATOM 675 CG LEU A 44 -12.095 -5.139 -0.746 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.347 -4.651 -1.458 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.464 -6.024 0.436 1.00 0.00 C ATOM 0 H LEU A 44 -9.416 -4.174 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.822 -6.548 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.108 -5.313 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.665 -6.837 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.553 -4.271 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.982 -4.117 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.066 -3.982 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.892 -5.504 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.112 -5.471 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.987 -6.911 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.558 -6.325 0.962 1.00 0.00 H new ATOM 689 N GLU A 45 -8.588 -6.888 -3.214 1.00 0.00 N ATOM 690 CA GLU A 45 -7.948 -7.835 -4.121 1.00 0.00 C ATOM 691 C GLU A 45 -6.963 -8.725 -3.370 1.00 0.00 C ATOM 692 O GLU A 45 -7.048 -9.953 -3.429 1.00 0.00 O ATOM 693 CB GLU A 45 -7.225 -7.089 -5.244 1.00 0.00 C ATOM 694 CG GLU A 45 -6.742 -7.996 -6.364 1.00 0.00 C ATOM 695 CD GLU A 45 -7.840 -8.342 -7.349 1.00 0.00 C ATOM 696 OE1 GLU A 45 -9.017 -8.393 -6.931 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.526 -8.564 -8.536 1.00 0.00 O ATOM 0 H GLU A 45 -8.574 -5.920 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.724 -8.466 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.896 -6.337 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.371 -6.557 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.924 -7.508 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.341 -8.914 -5.935 1.00 0.00 H new ATOM 704 N HIS A 46 -6.027 -8.098 -2.663 1.00 0.00 N ATOM 705 CA HIS A 46 -5.024 -8.834 -1.900 1.00 0.00 C ATOM 706 C HIS A 46 -5.471 -9.019 -0.453 1.00 0.00 C ATOM 707 O HIS A 46 -4.748 -9.594 0.360 1.00 0.00 O ATOM 708 CB HIS A 46 -3.683 -8.102 -1.942 1.00 0.00 C ATOM 709 CG HIS A 46 -3.238 -7.745 -3.328 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.746 -8.673 -4.222 1.00 0.00 N ATOM 711 CD2 HIS A 46 -3.215 -6.555 -3.972 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.438 -8.067 -5.355 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.714 -6.782 -5.229 1.00 0.00 N ATOM 0 H HIS A 46 -5.942 -7.083 -2.603 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.907 -9.818 -2.354 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.757 -7.192 -1.347 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.922 -8.727 -1.475 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.532 -5.604 -3.571 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.030 -8.542 -6.235 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.577 -6.073 -5.949 1.00 0.00 H new ATOM 721 N ASP A 47 -6.664 -8.527 -0.140 1.00 0.00 N ATOM 722 CA ASP A 47 -7.207 -8.638 1.208 1.00 0.00 C ATOM 723 C ASP A 47 -6.268 -8.001 2.227 1.00 0.00 C ATOM 724 O ASP A 47 -6.038 -8.551 3.305 1.00 0.00 O ATOM 725 CB ASP A 47 -7.447 -10.106 1.565 1.00 0.00 C ATOM 726 CG ASP A 47 -8.109 -10.875 0.439 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.208 -10.469 0.009 1.00 0.00 O ATOM 728 OD2 ASP A 47 -7.526 -11.882 -0.014 1.00 0.00 O ATOM 0 H ASP A 47 -7.274 -8.047 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.158 -8.105 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.496 -10.577 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.072 -10.163 2.456 1.00 0.00 H new ATOM 733 N VAL A 48 -5.724 -6.839 1.878 1.00 0.00 N ATOM 734 CA VAL A 48 -4.808 -6.128 2.761 1.00 0.00 C ATOM 735 C VAL A 48 -5.370 -4.765 3.152 1.00 0.00 C ATOM 736 O VAL A 48 -6.454 -4.381 2.717 1.00 0.00 O ATOM 737 CB VAL A 48 -3.430 -5.933 2.102 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.719 -7.268 1.947 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.576 -5.237 0.758 1.00 0.00 C ATOM 0 H VAL A 48 -5.902 -6.370 0.990 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.691 -6.740 3.655 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.823 -5.299 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.747 -7.110 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.580 -7.723 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.319 -7.929 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.592 -5.107 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.200 -5.842 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.040 -4.261 0.902 1.00 0.00 H new ATOM 749 N ASN A 49 -4.623 -4.037 3.976 1.00 0.00 N ATOM 750 CA ASN A 49 -5.046 -2.717 4.427 1.00 0.00 C ATOM 751 C ASN A 49 -3.979 -1.669 4.119 1.00 0.00 C ATOM 752 O ASN A 49 -2.843 -1.771 4.584 1.00 0.00 O ATOM 753 CB ASN A 49 -5.340 -2.736 5.927 1.00 0.00 C ATOM 754 CG ASN A 49 -5.612 -1.351 6.482 1.00 0.00 C ATOM 755 OD1 ASN A 49 -6.665 -0.764 6.230 1.00 0.00 O ATOM 756 ND2 ASN A 49 -4.661 -0.820 7.241 1.00 0.00 N ATOM 0 H ASN A 49 -3.721 -4.340 4.345 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.957 -2.452 3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.202 -3.376 6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.494 -3.176 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.787 0.110 7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.804 -1.342 7.424 1.00 0.00 H new ATOM 763 N ILE A 50 -4.353 -0.664 3.335 1.00 0.00 N ATOM 764 CA ILE A 50 -3.430 0.402 2.967 1.00 0.00 C ATOM 765 C ILE A 50 -3.875 1.739 3.548 1.00 0.00 C ATOM 766 O ILE A 50 -4.948 2.244 3.217 1.00 0.00 O ATOM 767 CB ILE A 50 -3.304 0.536 1.438 1.00 0.00 C ATOM 768 CG1 ILE A 50 -2.842 -0.787 0.824 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.339 1.657 1.082 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.331 -1.002 -0.591 1.00 0.00 C ATOM 0 H ILE A 50 -5.289 -0.566 2.942 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.458 0.134 3.381 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.284 0.782 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.753 -0.821 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.191 -1.609 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.261 1.739 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.707 2.598 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.357 1.438 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.965 -1.960 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.421 -1.001 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.960 -0.200 -1.230 1.00 0.00 H new ATOM 782 N GLN A 51 -3.042 2.309 4.414 1.00 0.00 N ATOM 783 CA GLN A 51 -3.350 3.589 5.040 1.00 0.00 C ATOM 784 C GLN A 51 -2.245 4.605 4.773 1.00 0.00 C ATOM 785 O GLN A 51 -1.062 4.309 4.942 1.00 0.00 O ATOM 786 CB GLN A 51 -3.543 3.410 6.547 1.00 0.00 C ATOM 787 CG GLN A 51 -4.018 4.671 7.252 1.00 0.00 C ATOM 788 CD GLN A 51 -5.468 4.995 6.954 1.00 0.00 C ATOM 789 OE1 GLN A 51 -6.381 4.436 7.563 1.00 0.00 O ATOM 790 NE2 GLN A 51 -5.689 5.903 6.011 1.00 0.00 N ATOM 0 H GLN A 51 -2.150 1.904 4.697 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.276 3.965 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.265 2.612 6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.601 3.089 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.890 4.551 8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.392 5.510 6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.903 6.342 5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.645 6.162 5.766 1.00 0.00 H new ATOM 799 N PHE A 52 -2.638 5.804 4.356 1.00 0.00 N ATOM 800 CA PHE A 52 -1.680 6.864 4.065 1.00 0.00 C ATOM 801 C PHE A 52 -1.489 7.773 5.276 1.00 0.00 C ATOM 802 O PHE A 52 -2.380 7.932 6.110 1.00 0.00 O ATOM 803 CB PHE A 52 -2.149 7.688 2.864 1.00 0.00 C ATOM 804 CG PHE A 52 -2.401 6.865 1.633 1.00 0.00 C ATOM 805 CD1 PHE A 52 -1.385 6.629 0.721 1.00 0.00 C ATOM 806 CD2 PHE A 52 -3.654 6.326 1.389 1.00 0.00 C ATOM 807 CE1 PHE A 52 -1.613 5.872 -0.412 1.00 0.00 C ATOM 808 CE2 PHE A 52 -3.888 5.567 0.258 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.867 5.340 -0.644 1.00 0.00 C ATOM 0 H PHE A 52 -3.613 6.066 4.212 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.723 6.399 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.064 8.217 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.398 8.445 2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.403 7.042 0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.456 6.501 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.812 5.696 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.869 5.152 0.080 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.048 4.748 -1.529 1.00 0.00 H new ATOM 819 N PRO A 53 -0.298 8.382 5.376 1.00 0.00 N ATOM 820 CA PRO A 53 0.039 9.285 6.480 1.00 0.00 C ATOM 821 C PRO A 53 -0.738 10.597 6.415 1.00 0.00 C ATOM 822 O PRO A 53 -1.233 10.984 5.356 1.00 0.00 O ATOM 823 CB PRO A 53 1.535 9.540 6.287 1.00 0.00 C ATOM 824 CG PRO A 53 1.772 9.316 4.833 1.00 0.00 C ATOM 825 CD PRO A 53 0.810 8.238 4.417 1.00 0.00 C ATOM 0 HA PRO A 53 -0.212 8.854 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.805 10.554 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.134 8.862 6.895 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.603 10.231 4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.802 9.012 4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.473 8.375 3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.265 7.249 4.474 1.00 0.00 H new ATOM 833 N ASP A 54 -0.840 11.275 7.552 1.00 0.00 N ATOM 834 CA ASP A 54 -1.554 12.544 7.624 1.00 0.00 C ATOM 835 C ASP A 54 -0.579 13.716 7.667 1.00 0.00 C ATOM 836 O ASP A 54 0.338 13.744 8.488 1.00 0.00 O ATOM 837 CB ASP A 54 -2.462 12.574 8.855 1.00 0.00 C ATOM 838 CG ASP A 54 -3.672 13.467 8.660 1.00 0.00 C ATOM 839 OD1 ASP A 54 -3.519 14.702 8.755 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.773 12.930 8.413 1.00 0.00 O ATOM 0 H ASP A 54 -0.437 10.967 8.437 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.167 12.638 6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.794 11.561 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.891 12.923 9.716 1.00 0.00 H new ATOM 845 N LYS A 55 -0.781 14.682 6.777 1.00 0.00 N ATOM 846 CA LYS A 55 0.079 15.856 6.712 1.00 0.00 C ATOM 847 C LYS A 55 0.006 16.656 8.009 1.00 0.00 C ATOM 848 O LYS A 55 1.031 17.064 8.557 1.00 0.00 O ATOM 849 CB LYS A 55 -0.320 16.742 5.530 1.00 0.00 C ATOM 850 CG LYS A 55 -1.766 17.206 5.579 1.00 0.00 C ATOM 851 CD LYS A 55 -2.333 17.413 4.185 1.00 0.00 C ATOM 852 CE LYS A 55 -1.812 18.697 3.557 1.00 0.00 C ATOM 853 NZ LYS A 55 -2.335 19.906 4.250 1.00 0.00 N ATOM 0 H LYS A 55 -1.535 14.674 6.090 1.00 0.00 H new ATOM 0 HA LYS A 55 1.105 15.516 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.332 17.615 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.154 16.193 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.367 16.469 6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.831 18.138 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.069 16.565 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.421 17.446 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.723 18.702 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.098 18.729 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.219 20.736 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.344 19.773 4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.808 20.054 5.134 1.00 0.00 H new ATOM 867 N ASP A 56 -1.211 16.876 8.495 1.00 0.00 N ATOM 868 CA ASP A 56 -1.417 17.625 9.729 1.00 0.00 C ATOM 869 C ASP A 56 -0.526 17.091 10.845 1.00 0.00 C ATOM 870 O ASP A 56 0.064 17.860 11.604 1.00 0.00 O ATOM 871 CB ASP A 56 -2.885 17.555 10.153 1.00 0.00 C ATOM 872 CG ASP A 56 -3.817 18.145 9.114 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.407 19.100 8.422 1.00 0.00 O ATOM 874 OD2 ASP A 56 -4.958 17.650 8.992 1.00 0.00 O ATOM 0 H ASP A 56 -2.069 16.546 8.053 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.149 18.665 9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.159 16.515 10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.013 18.087 11.096 1.00 0.00 H new ATOM 879 N ASP A 57 -0.434 15.769 10.939 1.00 0.00 N ATOM 880 CA ASP A 57 0.386 15.130 11.963 1.00 0.00 C ATOM 881 C ASP A 57 1.789 15.730 11.987 1.00 0.00 C ATOM 882 O ASP A 57 2.210 16.309 12.987 1.00 0.00 O ATOM 883 CB ASP A 57 0.466 13.623 11.716 1.00 0.00 C ATOM 884 CG ASP A 57 0.657 12.836 12.998 1.00 0.00 C ATOM 885 OD1 ASP A 57 -0.307 12.738 13.783 1.00 0.00 O ATOM 886 OD2 ASP A 57 1.774 12.319 13.215 1.00 0.00 O ATOM 0 H ASP A 57 -0.917 15.119 10.319 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.082 15.306 12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.446 13.290 11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.292 13.412 11.037 1.00 0.00 H new ATOM 891 N GLY A 58 2.509 15.584 10.879 1.00 0.00 N ATOM 892 CA GLY A 58 3.857 16.114 10.794 1.00 0.00 C ATOM 893 C GLY A 58 4.900 15.126 11.278 1.00 0.00 C ATOM 894 O GLY A 58 5.614 14.526 10.476 1.00 0.00 O ATOM 0 H GLY A 58 2.182 15.108 10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.072 16.388 9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.923 17.027 11.386 1.00 0.00 H new ATOM 898 N ASN A 59 4.989 14.958 12.593 1.00 0.00 N ATOM 899 CA ASN A 59 5.955 14.038 13.183 1.00 0.00 C ATOM 900 C ASN A 59 6.088 12.775 12.337 1.00 0.00 C ATOM 901 O ASN A 59 7.168 12.193 12.241 1.00 0.00 O ATOM 902 CB ASN A 59 5.535 13.670 14.607 1.00 0.00 C ATOM 903 CG ASN A 59 5.858 14.763 15.607 1.00 0.00 C ATOM 904 OD1 ASN A 59 4.970 15.294 16.272 1.00 0.00 O ATOM 905 ND2 ASN A 59 7.138 15.105 15.716 1.00 0.00 N ATOM 0 H ASN A 59 4.404 15.447 13.271 1.00 0.00 H new ATOM 0 HA ASN A 59 6.924 14.537 13.215 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.464 13.469 14.626 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.037 12.750 14.904 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.417 15.835 16.372 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.841 14.637 15.144 1.00 0.00 H new ATOM 912 N GLN A 60 4.984 12.359 11.726 1.00 0.00 N ATOM 913 CA GLN A 60 4.978 11.165 10.889 1.00 0.00 C ATOM 914 C GLN A 60 5.300 11.515 9.440 1.00 0.00 C ATOM 915 O GLN A 60 5.024 12.617 8.966 1.00 0.00 O ATOM 916 CB GLN A 60 3.619 10.468 10.967 1.00 0.00 C ATOM 917 CG GLN A 60 3.289 9.932 12.352 1.00 0.00 C ATOM 918 CD GLN A 60 1.916 9.294 12.417 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.913 9.990 11.898 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.759 8.185 12.930 1.00 0.00 N flip ATOM 0 H GLN A 60 4.082 12.831 11.795 1.00 0.00 H new ATOM 0 HA GLN A 60 5.747 10.488 11.260 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.842 11.170 10.663 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.601 9.644 10.254 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.041 9.198 12.642 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.342 10.746 13.075 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.559 7.684 13.317 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.829 7.767 12.967 1.00 0.00 H new ATOM 929 N PRO A 61 5.901 10.557 8.719 1.00 0.00 N ATOM 930 CA PRO A 61 6.274 10.740 7.313 1.00 0.00 C ATOM 931 C PRO A 61 5.058 10.808 6.395 1.00 0.00 C ATOM 932 O PRO A 61 4.112 10.034 6.544 1.00 0.00 O ATOM 933 CB PRO A 61 7.110 9.497 7.003 1.00 0.00 C ATOM 934 CG PRO A 61 6.636 8.469 7.970 1.00 0.00 C ATOM 935 CD PRO A 61 6.261 9.219 9.219 1.00 0.00 C ATOM 0 HA PRO A 61 6.805 11.678 7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.964 9.169 5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.175 9.695 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.781 7.922 7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.416 7.736 8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.427 8.746 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.090 9.264 9.925 1.00 0.00 H new ATOM 943 N GLN A 62 5.090 11.737 5.444 1.00 0.00 N ATOM 944 CA GLN A 62 3.990 11.904 4.501 1.00 0.00 C ATOM 945 C GLN A 62 4.270 11.160 3.200 1.00 0.00 C ATOM 946 O GLN A 62 3.355 10.873 2.428 1.00 0.00 O ATOM 947 CB GLN A 62 3.757 13.388 4.215 1.00 0.00 C ATOM 948 CG GLN A 62 3.456 14.209 5.459 1.00 0.00 C ATOM 949 CD GLN A 62 2.527 13.492 6.418 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.487 12.968 6.019 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.898 13.467 7.694 1.00 0.00 N ATOM 0 H GLN A 62 5.866 12.385 5.306 1.00 0.00 H new ATOM 0 HA GLN A 62 3.091 11.483 4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.640 13.798 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.928 13.488 3.514 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.390 14.444 5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.007 15.157 5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.769 13.914 7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.312 13.000 8.386 1.00 0.00 H new ATOM 960 N ASP A 63 5.540 10.849 2.964 1.00 0.00 N ATOM 961 CA ASP A 63 5.940 10.137 1.755 1.00 0.00 C ATOM 962 C ASP A 63 5.967 8.631 1.996 1.00 0.00 C ATOM 963 O ASP A 63 6.106 7.846 1.058 1.00 0.00 O ATOM 964 CB ASP A 63 7.316 10.616 1.287 1.00 0.00 C ATOM 965 CG ASP A 63 8.425 10.204 2.234 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.630 10.903 3.248 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.087 9.181 1.962 1.00 0.00 O ATOM 0 H ASP A 63 6.310 11.078 3.593 1.00 0.00 H new ATOM 0 HA ASP A 63 5.206 10.350 0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.520 10.212 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.307 11.702 1.193 1.00 0.00 H new ATOM 972 N GLN A 64 5.836 8.236 3.259 1.00 0.00 N ATOM 973 CA GLN A 64 5.847 6.824 3.622 1.00 0.00 C ATOM 974 C GLN A 64 4.427 6.292 3.785 1.00 0.00 C ATOM 975 O GLN A 64 3.603 6.896 4.472 1.00 0.00 O ATOM 976 CB GLN A 64 6.634 6.615 4.916 1.00 0.00 C ATOM 977 CG GLN A 64 8.134 6.809 4.755 1.00 0.00 C ATOM 978 CD GLN A 64 8.849 5.533 4.358 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.680 5.124 3.106 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.545 4.920 5.168 1.00 0.00 N flip ATOM 0 H GLN A 64 5.721 8.874 4.047 1.00 0.00 H new ATOM 0 HA GLN A 64 6.332 6.272 2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.265 7.309 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.444 5.608 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.318 7.574 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.551 7.178 5.692 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.647 5.270 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.019 4.062 4.886 1.00 0.00 H new ATOM 989 N ILE A 65 4.148 5.159 3.149 1.00 0.00 N ATOM 990 CA ILE A 65 2.828 4.547 3.224 1.00 0.00 C ATOM 991 C ILE A 65 2.833 3.344 4.162 1.00 0.00 C ATOM 992 O ILE A 65 3.807 2.593 4.222 1.00 0.00 O ATOM 993 CB ILE A 65 2.335 4.098 1.836 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.424 5.256 0.839 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.908 3.575 1.923 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.198 4.838 -0.596 1.00 0.00 C ATOM 0 H ILE A 65 4.819 4.647 2.576 1.00 0.00 H new ATOM 0 HA ILE A 65 2.150 5.307 3.613 1.00 0.00 H new ATOM 0 HB ILE A 65 2.976 3.290 1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.688 6.014 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.406 5.722 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.574 3.262 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.873 2.725 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.253 4.364 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.276 5.710 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.950 4.103 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.205 4.399 -0.695 1.00 0.00 H new ATOM 1008 N THR A 66 1.736 3.166 4.893 1.00 0.00 N ATOM 1009 CA THR A 66 1.613 2.055 5.827 1.00 0.00 C ATOM 1010 C THR A 66 0.641 1.003 5.306 1.00 0.00 C ATOM 1011 O THR A 66 -0.524 1.298 5.040 1.00 0.00 O ATOM 1012 CB THR A 66 1.137 2.536 7.212 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.586 3.875 7.447 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.656 1.621 8.310 1.00 0.00 C ATOM 0 H THR A 66 0.921 3.778 4.855 1.00 0.00 H new ATOM 0 HA THR A 66 2.605 1.613 5.924 1.00 0.00 H new ATOM 0 HB THR A 66 0.047 2.512 7.226 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.278 4.173 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.307 1.980 9.278 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.287 0.609 8.144 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.746 1.617 8.296 1.00 0.00 H new ATOM 1022 N ILE A 67 1.128 -0.226 5.164 1.00 0.00 N ATOM 1023 CA ILE A 67 0.300 -1.322 4.675 1.00 0.00 C ATOM 1024 C ILE A 67 0.372 -2.523 5.612 1.00 0.00 C ATOM 1025 O ILE A 67 1.451 -3.049 5.887 1.00 0.00 O ATOM 1026 CB ILE A 67 0.726 -1.762 3.262 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.738 -0.563 2.313 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.205 -2.847 2.743 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.472 -0.824 1.017 1.00 0.00 C ATOM 0 H ILE A 67 2.090 -0.487 5.380 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.725 -0.952 4.638 1.00 0.00 H new ATOM 0 HB ILE A 67 1.735 -2.170 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.290 -0.278 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.200 0.285 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.109 -3.148 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.167 -3.708 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.224 -2.463 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.439 0.070 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.510 -1.079 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.997 -1.651 0.490 1.00 0.00 H new ATOM 1041 N THR A 68 -0.787 -2.956 6.100 1.00 0.00 N ATOM 1042 CA THR A 68 -0.859 -4.096 7.005 1.00 0.00 C ATOM 1043 C THR A 68 -1.408 -5.327 6.296 1.00 0.00 C ATOM 1044 O THR A 68 -2.202 -5.216 5.363 1.00 0.00 O ATOM 1045 CB THR A 68 -1.740 -3.786 8.230 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.452 -2.472 8.721 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.510 -4.807 9.335 1.00 0.00 C ATOM 0 H THR A 68 -1.689 -2.533 5.883 1.00 0.00 H new ATOM 0 HA THR A 68 0.158 -4.298 7.341 1.00 0.00 H new ATOM 0 HB THR A 68 -2.784 -3.837 7.921 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.017 -2.282 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.143 -4.567 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.758 -5.803 8.968 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.464 -4.783 9.640 1.00 0.00 H new ATOM 1055 N GLY A 69 -0.982 -6.504 6.747 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.443 -7.741 6.143 1.00 0.00 C ATOM 1057 C GLY A 69 -0.332 -8.759 5.987 1.00 0.00 C ATOM 1058 O GLY A 69 0.821 -8.488 6.327 1.00 0.00 O ATOM 0 H GLY A 69 -0.326 -6.622 7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.238 -8.166 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.874 -7.526 5.165 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.677 -9.935 5.475 1.00 0.00 N ATOM 1063 CA TYR A 70 0.299 -11.001 5.278 1.00 0.00 C ATOM 1064 C TYR A 70 1.516 -10.489 4.513 1.00 0.00 C ATOM 1065 O TYR A 70 1.391 -9.955 3.411 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.335 -12.170 4.526 1.00 0.00 C ATOM 1067 CG TYR A 70 -0.965 -13.204 5.434 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -2.118 -12.913 6.154 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.407 -14.469 5.572 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.697 -13.853 6.984 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -0.980 -15.415 6.400 1.00 0.00 C ATOM 1072 CZ TYR A 70 -2.124 -15.103 7.103 1.00 0.00 C ATOM 1073 OH TYR A 70 -2.697 -16.042 7.929 1.00 0.00 O ATOM 0 H TYR A 70 -1.626 -10.175 5.188 1.00 0.00 H new ATOM 0 HA TYR A 70 0.626 -11.345 6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.095 -11.785 3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.426 -12.652 3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.569 -11.936 6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.489 -14.717 5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.593 -13.611 7.537 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.534 -16.394 6.496 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.171 -16.869 7.899 1.00 0.00 H new ATOM 1083 N GLU A 71 2.695 -10.658 5.106 1.00 0.00 N ATOM 1084 CA GLU A 71 3.935 -10.214 4.481 1.00 0.00 C ATOM 1085 C GLU A 71 3.872 -10.387 2.966 1.00 0.00 C ATOM 1086 O GLU A 71 4.459 -9.607 2.216 1.00 0.00 O ATOM 1087 CB GLU A 71 5.123 -10.994 5.045 1.00 0.00 C ATOM 1088 CG GLU A 71 6.431 -10.717 4.323 1.00 0.00 C ATOM 1089 CD GLU A 71 7.611 -11.424 4.960 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.548 -12.661 5.114 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.598 -10.740 5.304 1.00 0.00 O ATOM 0 H GLU A 71 2.816 -11.099 6.018 1.00 0.00 H new ATOM 0 HA GLU A 71 4.066 -9.155 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.241 -10.747 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.906 -12.061 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.341 -11.032 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.617 -9.643 4.315 1.00 0.00 H new ATOM 1098 N LYS A 72 3.156 -11.415 2.523 1.00 0.00 N ATOM 1099 CA LYS A 72 3.014 -11.692 1.098 1.00 0.00 C ATOM 1100 C LYS A 72 1.939 -10.806 0.475 1.00 0.00 C ATOM 1101 O LYS A 72 2.223 -9.999 -0.409 1.00 0.00 O ATOM 1102 CB LYS A 72 2.667 -13.165 0.876 1.00 0.00 C ATOM 1103 CG LYS A 72 3.751 -14.122 1.341 1.00 0.00 C ATOM 1104 CD LYS A 72 4.905 -14.179 0.354 1.00 0.00 C ATOM 1105 CE LYS A 72 5.731 -15.443 0.534 1.00 0.00 C ATOM 1106 NZ LYS A 72 7.022 -15.373 -0.207 1.00 0.00 N ATOM 0 H LYS A 72 2.665 -12.071 3.131 1.00 0.00 H new ATOM 0 HA LYS A 72 3.966 -11.472 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.741 -13.395 1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.480 -13.330 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.121 -13.808 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.328 -15.119 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.517 -14.139 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.542 -13.305 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.929 -15.599 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.159 -16.303 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.556 -16.253 -0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.833 -15.249 -1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.579 -14.567 0.142 1.00 0.00 H new ATOM 1120 N ASN A 73 0.706 -10.961 0.946 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.410 -10.174 0.435 1.00 0.00 C ATOM 1122 C ASN A 73 -0.057 -8.691 0.395 1.00 0.00 C ATOM 1123 O ASN A 73 -0.559 -7.944 -0.446 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.653 -10.391 1.302 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.457 -11.602 0.868 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -2.057 -12.334 -0.037 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.597 -11.816 1.515 1.00 0.00 N ATOM 0 H ASN A 73 0.455 -11.623 1.680 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.621 -10.506 -0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.350 -10.513 2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.284 -9.504 1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.181 -12.615 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.888 -11.182 2.259 1.00 0.00 H new ATOM 1134 N THR A 74 0.811 -8.269 1.310 1.00 0.00 N ATOM 1135 CA THR A 74 1.231 -6.875 1.380 1.00 0.00 C ATOM 1136 C THR A 74 1.970 -6.460 0.113 1.00 0.00 C ATOM 1137 O THR A 74 1.540 -5.553 -0.598 1.00 0.00 O ATOM 1138 CB THR A 74 2.140 -6.624 2.598 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.283 -7.485 2.542 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.384 -6.860 3.896 1.00 0.00 C ATOM 0 H THR A 74 1.237 -8.873 2.013 1.00 0.00 H new ATOM 0 HA THR A 74 0.326 -6.276 1.482 1.00 0.00 H new ATOM 0 HB THR A 74 2.467 -5.585 2.571 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.867 -7.304 3.308 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.047 -6.677 4.742 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.532 -6.182 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.031 -7.891 3.929 1.00 0.00 H new ATOM 1148 N GLU A 75 3.085 -7.129 -0.162 1.00 0.00 N ATOM 1149 CA GLU A 75 3.884 -6.828 -1.344 1.00 0.00 C ATOM 1150 C GLU A 75 3.004 -6.739 -2.587 1.00 0.00 C ATOM 1151 O GLU A 75 3.069 -5.767 -3.339 1.00 0.00 O ATOM 1152 CB GLU A 75 4.963 -7.895 -1.544 1.00 0.00 C ATOM 1153 CG GLU A 75 5.773 -8.183 -0.291 1.00 0.00 C ATOM 1154 CD GLU A 75 7.178 -8.662 -0.604 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.726 -8.249 -1.647 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.728 -9.449 0.194 1.00 0.00 O ATOM 0 H GLU A 75 3.455 -7.883 0.417 1.00 0.00 H new ATOM 0 HA GLU A 75 4.364 -5.862 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.491 -8.818 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.638 -7.573 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.828 -7.280 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.259 -8.938 0.304 1.00 0.00 H new ATOM 1163 N ALA A 76 2.183 -7.763 -2.798 1.00 0.00 N ATOM 1164 CA ALA A 76 1.288 -7.801 -3.947 1.00 0.00 C ATOM 1165 C ALA A 76 0.502 -6.501 -4.075 1.00 0.00 C ATOM 1166 O ALA A 76 0.087 -6.119 -5.170 1.00 0.00 O ATOM 1167 CB ALA A 76 0.338 -8.985 -3.840 1.00 0.00 C ATOM 0 H ALA A 76 2.120 -8.578 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 76 1.896 -7.918 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.324 -9.000 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.913 -9.911 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.256 -8.894 -2.931 1.00 0.00 H new ATOM 1173 N ALA A 77 0.300 -5.823 -2.950 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.436 -4.565 -2.936 1.00 0.00 C ATOM 1175 C ALA A 77 0.507 -3.376 -3.084 1.00 0.00 C ATOM 1176 O ALA A 77 0.277 -2.488 -3.905 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.245 -4.441 -1.654 1.00 0.00 C ATOM 0 H ALA A 77 0.636 -6.124 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.119 -4.563 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.789 -3.497 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.952 -5.268 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.574 -4.470 -0.796 1.00 0.00 H new ATOM 1183 N ARG A 78 1.570 -3.366 -2.285 1.00 0.00 N ATOM 1184 CA ARG A 78 2.546 -2.284 -2.327 1.00 0.00 C ATOM 1185 C ARG A 78 3.163 -2.161 -3.717 1.00 0.00 C ATOM 1186 O ARG A 78 3.703 -1.115 -4.077 1.00 0.00 O ATOM 1187 CB ARG A 78 3.645 -2.521 -1.289 1.00 0.00 C ATOM 1188 CG ARG A 78 4.734 -3.471 -1.760 1.00 0.00 C ATOM 1189 CD ARG A 78 5.867 -2.723 -2.447 1.00 0.00 C ATOM 1190 NE ARG A 78 6.605 -3.578 -3.372 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.864 -3.354 -3.735 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.520 -2.309 -3.252 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.468 -4.178 -4.581 1.00 0.00 N ATOM 0 H ARG A 78 1.777 -4.095 -1.602 1.00 0.00 H new ATOM 0 HA ARG A 78 2.029 -1.353 -2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.098 -1.565 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.195 -2.920 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.127 -4.027 -0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.309 -4.201 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.461 -1.868 -2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.550 -2.329 -1.694 1.00 0.00 H new ATOM 0 HE ARG A 78 6.129 -4.392 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.059 -1.674 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.486 -2.139 -3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.966 -4.984 -4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.434 -4.005 -4.859 1.00 0.00 H new ATOM 1207 N ASP A 79 3.079 -3.237 -4.492 1.00 0.00 N ATOM 1208 CA ASP A 79 3.627 -3.250 -5.843 1.00 0.00 C ATOM 1209 C ASP A 79 2.827 -2.335 -6.764 1.00 0.00 C ATOM 1210 O ASP A 79 3.358 -1.794 -7.734 1.00 0.00 O ATOM 1211 CB ASP A 79 3.635 -4.675 -6.400 1.00 0.00 C ATOM 1212 CG ASP A 79 4.493 -4.806 -7.643 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.720 -4.985 -7.500 1.00 0.00 O ATOM 1214 OD2 ASP A 79 3.937 -4.731 -8.760 1.00 0.00 O ATOM 0 H ASP A 79 2.637 -4.111 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 79 4.652 -2.881 -5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.002 -5.359 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.614 -4.976 -6.633 1.00 0.00 H new ATOM 1219 N ALA A 80 1.545 -2.167 -6.455 1.00 0.00 N ATOM 1220 CA ALA A 80 0.671 -1.318 -7.254 1.00 0.00 C ATOM 1221 C ALA A 80 0.948 0.159 -6.987 1.00 0.00 C ATOM 1222 O ALA A 80 1.197 0.930 -7.915 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.787 -1.644 -6.968 1.00 0.00 C ATOM 0 H ALA A 80 1.089 -2.608 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 80 0.876 -1.515 -8.306 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.429 -1.002 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.982 -2.688 -7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.997 -1.476 -5.912 1.00 0.00 H new ATOM 1229 N ILE A 81 0.901 0.544 -5.717 1.00 0.00 N ATOM 1230 CA ILE A 81 1.147 1.928 -5.329 1.00 0.00 C ATOM 1231 C ILE A 81 2.348 2.501 -6.072 1.00 0.00 C ATOM 1232 O ILE A 81 2.360 3.675 -6.446 1.00 0.00 O ATOM 1233 CB ILE A 81 1.387 2.055 -3.813 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.190 1.500 -3.038 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.644 3.506 -3.437 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.373 1.537 -1.537 1.00 0.00 C ATOM 0 H ILE A 81 0.695 -0.082 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 81 0.254 2.493 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 81 2.269 1.471 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.700 2.071 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.012 0.471 -3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.812 3.579 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.525 3.869 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.780 4.111 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.514 1.129 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.244 0.942 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.521 2.567 -1.214 1.00 0.00 H new ATOM 1248 N LEU A 82 3.359 1.666 -6.286 1.00 0.00 N ATOM 1249 CA LEU A 82 4.566 2.089 -6.988 1.00 0.00 C ATOM 1250 C LEU A 82 4.342 2.109 -8.496 1.00 0.00 C ATOM 1251 O LEU A 82 4.522 3.138 -9.147 1.00 0.00 O ATOM 1252 CB LEU A 82 5.730 1.157 -6.646 1.00 0.00 C ATOM 1253 CG LEU A 82 5.999 0.935 -5.157 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.026 -0.169 -4.959 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.466 2.226 -4.501 1.00 0.00 C ATOM 0 H LEU A 82 3.367 0.692 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 82 4.810 3.101 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.541 0.188 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.635 1.557 -7.102 1.00 0.00 H new ATOM 0 HG LEU A 82 5.068 0.626 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.205 -0.313 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.652 -1.096 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.959 0.110 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.653 2.049 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.385 2.566 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.696 2.989 -4.611 1.00 0.00 H new ATOM 1267 N ARG A 83 3.944 0.965 -9.045 1.00 0.00 N ATOM 1268 CA ARG A 83 3.694 0.852 -10.476 1.00 0.00 C ATOM 1269 C ARG A 83 3.037 2.120 -11.016 1.00 0.00 C ATOM 1270 O ARG A 83 3.386 2.599 -12.096 1.00 0.00 O ATOM 1271 CB ARG A 83 2.803 -0.357 -10.766 1.00 0.00 C ATOM 1272 CG ARG A 83 2.928 -0.880 -12.188 1.00 0.00 C ATOM 1273 CD ARG A 83 1.639 -1.539 -12.654 1.00 0.00 C ATOM 1274 NE ARG A 83 1.727 -1.991 -14.040 1.00 0.00 N ATOM 1275 CZ ARG A 83 0.740 -2.620 -14.671 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -0.400 -2.870 -14.044 1.00 0.00 N ATOM 1277 NH2 ARG A 83 0.896 -3.001 -15.933 1.00 0.00 N ATOM 0 H ARG A 83 3.788 0.104 -8.520 1.00 0.00 H new ATOM 0 HA ARG A 83 4.653 0.718 -10.976 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.054 -1.158 -10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.764 -0.085 -10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.181 -0.058 -12.858 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.746 -1.599 -12.242 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.412 -2.388 -12.009 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.814 -0.833 -12.554 1.00 0.00 H new ATOM 0 HE ARG A 83 2.592 -1.815 -14.551 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.523 -2.580 -13.074 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.155 -3.353 -14.531 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.773 -2.811 -16.418 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.139 -3.484 -16.417 1.00 0.00 H new ATOM 1291 N ILE A 84 2.088 2.657 -10.257 1.00 0.00 N ATOM 1292 CA ILE A 84 1.384 3.869 -10.659 1.00 0.00 C ATOM 1293 C ILE A 84 2.340 5.054 -10.753 1.00 0.00 C ATOM 1294 O ILE A 84 2.520 5.636 -11.822 1.00 0.00 O ATOM 1295 CB ILE A 84 0.251 4.215 -9.675 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.700 3.026 -9.521 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.505 5.446 -10.150 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.472 3.035 -8.220 1.00 0.00 C ATOM 0 H ILE A 84 1.789 2.273 -9.361 1.00 0.00 H new ATOM 0 HA ILE A 84 0.954 3.673 -11.641 1.00 0.00 H new ATOM 0 HB ILE A 84 0.689 4.435 -8.701 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.405 3.025 -10.352 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.127 2.101 -9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.303 5.678 -9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.180 6.291 -10.214 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.935 5.252 -11.133 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.126 2.164 -8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.775 3.005 -7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.073 3.943 -8.160 1.00 0.00 H new ATOM 1310 N VAL A 85 2.952 5.403 -9.627 1.00 0.00 N ATOM 1311 CA VAL A 85 3.892 6.517 -9.581 1.00 0.00 C ATOM 1312 C VAL A 85 4.696 6.610 -10.873 1.00 0.00 C ATOM 1313 O VAL A 85 4.653 7.621 -11.572 1.00 0.00 O ATOM 1314 CB VAL A 85 4.864 6.384 -8.393 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.882 7.513 -8.408 1.00 0.00 C ATOM 1316 CG2 VAL A 85 4.098 6.363 -7.079 1.00 0.00 C ATOM 0 H VAL A 85 2.814 4.931 -8.734 1.00 0.00 H new ATOM 0 HA VAL A 85 3.301 7.425 -9.457 1.00 0.00 H new ATOM 0 HB VAL A 85 5.402 5.441 -8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.560 7.403 -7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.452 7.477 -9.337 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.365 8.470 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.800 6.269 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.533 7.289 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.412 5.516 -7.071 1.00 0.00 H new ATOM 1326 N GLY A 86 5.431 5.546 -11.185 1.00 0.00 N ATOM 1327 CA GLY A 86 6.234 5.528 -12.393 1.00 0.00 C ATOM 1328 C GLY A 86 5.524 6.162 -13.571 1.00 0.00 C ATOM 1329 O GLY A 86 6.127 6.914 -14.337 1.00 0.00 O ATOM 0 H GLY A 86 5.484 4.697 -10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.170 6.055 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.491 4.498 -12.639 1.00 0.00 H new ATOM 1333 N GLU A 87 4.238 5.857 -13.720 1.00 0.00 N ATOM 1334 CA GLU A 87 3.446 6.402 -14.817 1.00 0.00 C ATOM 1335 C GLU A 87 3.115 7.871 -14.571 1.00 0.00 C ATOM 1336 O GLU A 87 3.457 8.738 -15.375 1.00 0.00 O ATOM 1337 CB GLU A 87 2.156 5.598 -14.991 1.00 0.00 C ATOM 1338 CG GLU A 87 2.278 4.147 -14.554 1.00 0.00 C ATOM 1339 CD GLU A 87 1.368 3.223 -15.339 1.00 0.00 C ATOM 1340 OE1 GLU A 87 0.203 3.603 -15.580 1.00 0.00 O ATOM 1341 OE2 GLU A 87 1.820 2.121 -15.713 1.00 0.00 O ATOM 0 H GLU A 87 3.723 5.236 -13.096 1.00 0.00 H new ATOM 0 HA GLU A 87 4.037 6.329 -15.730 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.361 6.075 -14.419 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.857 5.629 -16.039 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.311 3.821 -14.674 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.040 4.070 -13.493 1.00 0.00 H new ATOM 1348 N LEU A 88 2.446 8.141 -13.456 1.00 0.00 N ATOM 1349 CA LEU A 88 2.067 9.505 -13.103 1.00 0.00 C ATOM 1350 C LEU A 88 3.166 10.492 -13.484 1.00 0.00 C ATOM 1351 O LEU A 88 2.887 11.595 -13.950 1.00 0.00 O ATOM 1352 CB LEU A 88 1.775 9.603 -11.605 1.00 0.00 C ATOM 1353 CG LEU A 88 0.882 8.506 -11.022 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.674 8.725 -9.532 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.454 8.465 -11.749 1.00 0.00 C ATOM 0 H LEU A 88 2.155 7.434 -12.781 1.00 0.00 H new ATOM 0 HA LEU A 88 1.166 9.761 -13.660 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.724 9.594 -11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.307 10.568 -11.409 1.00 0.00 H new ATOM 0 HG LEU A 88 1.378 7.546 -11.162 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.037 7.936 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.638 8.704 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.198 9.692 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.077 7.679 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.957 9.426 -11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.287 8.261 -12.806 1.00 0.00 H new