USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 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 20 SER OG : rot -17:sc= 0.969 USER MOD Set 1.2: A 22 THR OG1 : rot -42:sc= 0.101 USER MOD Set 1.3: A 64 GLN :FLIP amide:sc= 0.0991 F(o=0.0065,f=1.2) USER MOD Single : A 16 SER OG : rot -46:sc= 0.579 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -6.76! C(o=-6.8!,f=-7.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -147:sc= -0.803 (180deg=-1.89!) USER MOD Single : A 40 THR OG1 : rot 67:sc= 1.13 USER MOD Single : A 41 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.19) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -4.08! C(o=-5!,f=-4.1!) USER MOD Single : A 49 ASN : amide:sc= -0.36 K(o=-0.36,f=-4.7!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.038) USER MOD Single : A 60 GLN :FLIP amide:sc= -1.12 F(o=-3.6!,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= -4.78! C(o=-4.8!,f=-11!) USER MOD Single : A 66 THR OG1 : rot 39:sc= 0.655 USER MOD Single : A 68 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+ -153:sc= -0.267 (180deg=-1.2!) USER MOD Single : A 73 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.1) USER MOD Single : A 74 THR OG1 : rot -177:sc= 0.0233 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.644 -12.804 11.431 1.00 0.00 N ATOM 160 CA LEU A 14 2.493 -12.455 10.023 1.00 0.00 C ATOM 161 C LEU A 14 1.410 -11.398 9.837 1.00 0.00 C ATOM 162 O LEU A 14 1.640 -10.363 9.212 1.00 0.00 O ATOM 163 CB LEU A 14 2.153 -13.700 9.202 1.00 0.00 C ATOM 164 CG LEU A 14 3.322 -14.634 8.883 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.878 -15.738 7.936 1.00 0.00 C ATOM 166 CD2 LEU A 14 4.482 -13.850 8.287 1.00 0.00 C ATOM 0 HA LEU A 14 3.440 -12.044 9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.395 -14.270 9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.703 -13.379 8.262 1.00 0.00 H new ATOM 0 HG LEU A 14 3.660 -15.094 9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.722 -16.393 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.079 -16.316 8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.514 -15.297 7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.305 -14.530 8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.157 -13.362 7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.816 -13.096 9.000 1.00 0.00 H new ATOM 178 N ARG A 15 0.229 -11.664 10.385 1.00 0.00 N ATOM 179 CA ARG A 15 -0.890 -10.736 10.280 1.00 0.00 C ATOM 180 C ARG A 15 -0.535 -9.386 10.898 1.00 0.00 C ATOM 181 O ARG A 15 -1.221 -8.389 10.671 1.00 0.00 O ATOM 182 CB ARG A 15 -2.127 -11.314 10.969 1.00 0.00 C ATOM 183 CG ARG A 15 -2.042 -11.299 12.487 1.00 0.00 C ATOM 184 CD ARG A 15 -3.423 -11.245 13.122 1.00 0.00 C ATOM 185 NE ARG A 15 -3.354 -11.061 14.569 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.424 -10.974 15.351 1.00 0.00 C ATOM 187 NH1 ARG A 15 -5.639 -11.054 14.828 1.00 0.00 N ATOM 188 NH2 ARG A 15 -4.279 -10.807 16.660 1.00 0.00 N ATOM 0 H ARG A 15 0.022 -12.516 10.907 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.108 -10.587 9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.004 -10.747 10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.274 -12.340 10.632 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.516 -12.189 12.832 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.457 -10.438 12.811 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.993 -10.428 12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.961 -12.167 12.899 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.433 -10.996 15.003 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.754 -11.183 13.823 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.459 -10.987 15.431 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.345 -10.745 17.066 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.101 -10.740 17.260 1.00 0.00 H new ATOM 202 N SER A 16 0.540 -9.363 11.679 1.00 0.00 N ATOM 203 CA SER A 16 0.983 -8.136 12.332 1.00 0.00 C ATOM 204 C SER A 16 2.159 -7.517 11.584 1.00 0.00 C ATOM 205 O SER A 16 2.966 -6.790 12.165 1.00 0.00 O ATOM 206 CB SER A 16 1.379 -8.421 13.782 1.00 0.00 C ATOM 207 OG SER A 16 1.594 -7.216 14.497 1.00 0.00 O ATOM 0 H SER A 16 1.120 -10.179 11.875 1.00 0.00 H new ATOM 0 HA SER A 16 0.155 -7.427 12.321 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.596 -9.002 14.269 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.285 -9.027 13.803 1.00 0.00 H new ATOM 0 HG SER A 16 2.151 -6.613 13.962 1.00 0.00 H new ATOM 213 N PHE A 17 2.251 -7.810 10.291 1.00 0.00 N ATOM 214 CA PHE A 17 3.329 -7.284 9.462 1.00 0.00 C ATOM 215 C PHE A 17 2.988 -5.889 8.948 1.00 0.00 C ATOM 216 O PHE A 17 1.947 -5.681 8.325 1.00 0.00 O ATOM 217 CB PHE A 17 3.600 -8.222 8.285 1.00 0.00 C ATOM 218 CG PHE A 17 4.284 -7.550 7.128 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.567 -6.750 6.252 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.642 -7.719 6.916 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.194 -6.131 5.187 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.274 -7.102 5.853 1.00 0.00 C ATOM 223 CZ PHE A 17 5.549 -6.306 4.988 1.00 0.00 C ATOM 0 H PHE A 17 1.592 -8.409 9.795 1.00 0.00 H new ATOM 0 HA PHE A 17 4.227 -7.216 10.077 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.216 -9.054 8.628 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.655 -8.645 7.943 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.507 -6.609 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.214 -8.340 7.589 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.624 -5.511 4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.334 -7.242 5.699 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.041 -5.821 4.158 1.00 0.00 H new ATOM 233 N LYS A 18 3.873 -4.933 9.215 1.00 0.00 N ATOM 234 CA LYS A 18 3.668 -3.557 8.779 1.00 0.00 C ATOM 235 C LYS A 18 4.687 -3.166 7.714 1.00 0.00 C ATOM 236 O LYS A 18 5.895 -3.229 7.943 1.00 0.00 O ATOM 237 CB LYS A 18 3.769 -2.603 9.971 1.00 0.00 C ATOM 238 CG LYS A 18 3.467 -1.156 9.621 1.00 0.00 C ATOM 239 CD LYS A 18 3.477 -0.269 10.854 1.00 0.00 C ATOM 240 CE LYS A 18 2.164 -0.360 11.617 1.00 0.00 C ATOM 241 NZ LYS A 18 2.272 0.238 12.977 1.00 0.00 N ATOM 0 H LYS A 18 4.739 -5.087 9.731 1.00 0.00 H new ATOM 0 HA LYS A 18 2.670 -3.484 8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.079 -2.932 10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.773 -2.664 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.204 -0.793 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.493 -1.094 9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.299 -0.561 11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.656 0.765 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.382 0.151 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.865 -1.405 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.357 0.157 13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.001 -0.266 13.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.533 1.241 12.895 1.00 0.00 H new ATOM 255 N LEU A 19 4.192 -2.761 6.549 1.00 0.00 N ATOM 256 CA LEU A 19 5.059 -2.358 5.448 1.00 0.00 C ATOM 257 C LEU A 19 4.997 -0.850 5.229 1.00 0.00 C ATOM 258 O LEU A 19 3.992 -0.209 5.537 1.00 0.00 O ATOM 259 CB LEU A 19 4.660 -3.088 4.164 1.00 0.00 C ATOM 260 CG LEU A 19 5.171 -2.479 2.858 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.591 -2.945 2.572 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.247 -2.837 1.704 1.00 0.00 C ATOM 0 H LEU A 19 3.195 -2.703 6.343 1.00 0.00 H new ATOM 0 HA LEU A 19 6.083 -2.627 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.019 -4.115 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.572 -3.133 4.119 1.00 0.00 H new ATOM 0 HG LEU A 19 5.181 -1.394 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.938 -2.502 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.246 -2.636 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.607 -4.031 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.627 -2.395 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.204 -3.921 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.247 -2.452 1.906 1.00 0.00 H new ATOM 274 N SER A 20 6.077 -0.289 4.694 1.00 0.00 N ATOM 275 CA SER A 20 6.145 1.144 4.435 1.00 0.00 C ATOM 276 C SER A 20 6.634 1.417 3.016 1.00 0.00 C ATOM 277 O SER A 20 7.794 1.171 2.688 1.00 0.00 O ATOM 278 CB SER A 20 7.073 1.822 5.445 1.00 0.00 C ATOM 279 OG SER A 20 8.423 1.762 5.017 1.00 0.00 O ATOM 0 H SER A 20 6.917 -0.805 4.432 1.00 0.00 H new ATOM 0 HA SER A 20 5.141 1.555 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.775 2.862 5.576 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.974 1.338 6.417 1.00 0.00 H new ATOM 0 HG SER A 20 8.516 1.076 4.324 1.00 0.00 H new ATOM 285 N VAL A 21 5.739 1.929 2.177 1.00 0.00 N ATOM 286 CA VAL A 21 6.076 2.236 0.792 1.00 0.00 C ATOM 287 C VAL A 21 6.612 3.658 0.661 1.00 0.00 C ATOM 288 O VAL A 21 5.985 4.615 1.116 1.00 0.00 O ATOM 289 CB VAL A 21 4.856 2.072 -0.133 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.302 1.832 -1.568 1.00 0.00 C ATOM 291 CG2 VAL A 21 3.967 0.939 0.354 1.00 0.00 C ATOM 0 H VAL A 21 4.774 2.140 2.433 1.00 0.00 H new ATOM 0 HA VAL A 21 6.848 1.529 0.489 1.00 0.00 H new ATOM 0 HB VAL A 21 4.276 2.995 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.426 1.718 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.894 2.680 -1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.905 0.925 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.110 0.837 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.534 0.008 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.619 1.158 1.363 1.00 0.00 H new ATOM 301 N THR A 22 7.777 3.790 0.035 1.00 0.00 N ATOM 302 CA THR A 22 8.398 5.095 -0.157 1.00 0.00 C ATOM 303 C THR A 22 7.915 5.751 -1.444 1.00 0.00 C ATOM 304 O THR A 22 8.341 5.381 -2.539 1.00 0.00 O ATOM 305 CB THR A 22 9.935 4.985 -0.195 1.00 0.00 C ATOM 306 OG1 THR A 22 10.394 4.164 0.884 1.00 0.00 O ATOM 307 CG2 THR A 22 10.578 6.360 -0.102 1.00 0.00 C ATOM 0 H THR A 22 8.310 3.009 -0.348 1.00 0.00 H new ATOM 0 HA THR A 22 8.105 5.712 0.693 1.00 0.00 H new ATOM 0 HB THR A 22 10.222 4.531 -1.144 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.892 4.382 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.663 6.257 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.249 6.973 -0.941 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.283 6.837 0.833 1.00 0.00 H new ATOM 315 N VAL A 23 7.022 6.726 -1.307 1.00 0.00 N ATOM 316 CA VAL A 23 6.482 7.435 -2.461 1.00 0.00 C ATOM 317 C VAL A 23 6.054 8.850 -2.086 1.00 0.00 C ATOM 318 O VAL A 23 5.226 9.044 -1.197 1.00 0.00 O ATOM 319 CB VAL A 23 5.277 6.690 -3.064 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.702 7.466 -4.239 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.678 5.284 -3.488 1.00 0.00 C ATOM 0 H VAL A 23 6.657 7.043 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 23 7.279 7.484 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 23 4.503 6.608 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.851 6.924 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.376 8.450 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.466 7.582 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.814 4.772 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.469 5.341 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.038 4.731 -2.620 1.00 0.00 H new ATOM 331 N ASP A 24 6.626 9.835 -2.770 1.00 0.00 N ATOM 332 CA ASP A 24 6.303 11.233 -2.510 1.00 0.00 C ATOM 333 C ASP A 24 4.828 11.393 -2.152 1.00 0.00 C ATOM 334 O ASP A 24 3.956 10.709 -2.688 1.00 0.00 O ATOM 335 CB ASP A 24 6.641 12.092 -3.729 1.00 0.00 C ATOM 336 CG ASP A 24 8.128 12.127 -4.019 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.917 12.251 -3.059 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.504 12.031 -5.206 1.00 0.00 O ATOM 0 H ASP A 24 7.315 9.691 -3.508 1.00 0.00 H new ATOM 0 HA ASP A 24 6.902 11.567 -1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.113 11.705 -4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.282 13.108 -3.565 1.00 0.00 H new ATOM 343 N PRO A 25 4.541 12.317 -1.224 1.00 0.00 N ATOM 344 CA PRO A 25 3.173 12.588 -0.772 1.00 0.00 C ATOM 345 C PRO A 25 2.332 13.267 -1.848 1.00 0.00 C ATOM 346 O PRO A 25 1.169 13.603 -1.622 1.00 0.00 O ATOM 347 CB PRO A 25 3.371 13.525 0.421 1.00 0.00 C ATOM 348 CG PRO A 25 4.683 14.187 0.169 1.00 0.00 C ATOM 349 CD PRO A 25 5.530 13.169 -0.542 1.00 0.00 C ATOM 0 HA PRO A 25 2.636 11.672 -0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.565 14.256 0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.380 12.973 1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.558 15.083 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.149 14.498 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.212 13.639 -1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.140 12.596 0.156 1.00 0.00 H new ATOM 357 N LYS A 26 2.927 13.465 -3.019 1.00 0.00 N ATOM 358 CA LYS A 26 2.232 14.103 -4.132 1.00 0.00 C ATOM 359 C LYS A 26 1.301 13.116 -4.829 1.00 0.00 C ATOM 360 O LYS A 26 0.173 13.458 -5.187 1.00 0.00 O ATOM 361 CB LYS A 26 3.241 14.664 -5.136 1.00 0.00 C ATOM 362 CG LYS A 26 4.031 13.592 -5.869 1.00 0.00 C ATOM 363 CD LYS A 26 5.249 14.174 -6.564 1.00 0.00 C ATOM 364 CE LYS A 26 4.852 15.118 -7.689 1.00 0.00 C ATOM 365 NZ LYS A 26 6.041 15.729 -8.346 1.00 0.00 N ATOM 0 H LYS A 26 3.889 13.193 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 26 1.633 14.921 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.712 15.277 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.935 15.321 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.346 12.824 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.390 13.105 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.862 14.709 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.861 13.366 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.267 14.574 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.211 15.906 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.728 16.366 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.586 16.270 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.640 14.979 -8.746 1.00 0.00 H new ATOM 379 N TYR A 27 1.779 11.890 -5.017 1.00 0.00 N ATOM 380 CA TYR A 27 0.989 10.854 -5.672 1.00 0.00 C ATOM 381 C TYR A 27 0.078 10.150 -4.671 1.00 0.00 C ATOM 382 O TYR A 27 -0.886 9.484 -5.053 1.00 0.00 O ATOM 383 CB TYR A 27 1.907 9.835 -6.349 1.00 0.00 C ATOM 384 CG TYR A 27 2.918 10.459 -7.283 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.543 11.440 -8.192 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.251 10.067 -7.256 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.465 12.011 -9.048 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.181 10.634 -8.108 1.00 0.00 C ATOM 389 CZ TYR A 27 4.781 11.606 -9.001 1.00 0.00 C ATOM 390 OH TYR A 27 5.703 12.174 -9.852 1.00 0.00 O ATOM 0 H TYR A 27 2.709 11.590 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 27 0.366 11.331 -6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.435 9.268 -5.582 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.298 9.125 -6.908 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.513 11.762 -8.230 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.566 9.306 -6.557 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.156 12.771 -9.750 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.213 10.318 -8.074 1.00 0.00 H new ATOM 0 HH TYR A 27 6.585 11.778 -9.690 1.00 0.00 H new ATOM 400 N HIS A 28 0.390 10.302 -3.388 1.00 0.00 N ATOM 401 CA HIS A 28 -0.401 9.682 -2.331 1.00 0.00 C ATOM 402 C HIS A 28 -1.892 9.905 -2.566 1.00 0.00 C ATOM 403 O HIS A 28 -2.670 8.961 -2.709 1.00 0.00 O ATOM 404 CB HIS A 28 0.003 10.244 -0.967 1.00 0.00 C ATOM 405 CG HIS A 28 1.044 9.427 -0.267 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.239 9.465 1.098 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.951 8.545 -0.750 1.00 0.00 C ATOM 408 CE1 HIS A 28 2.220 8.643 1.423 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.669 8.072 0.320 1.00 0.00 N ATOM 0 H HIS A 28 1.184 10.849 -3.055 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.206 8.610 -2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.377 11.259 -1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.882 10.310 -0.334 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.708 10.038 1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.085 8.266 -1.785 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.592 8.467 2.422 1.00 0.00 H new ATOM 417 N PRO A 29 -2.301 11.182 -2.604 1.00 0.00 N ATOM 418 CA PRO A 29 -3.701 11.557 -2.820 1.00 0.00 C ATOM 419 C PRO A 29 -4.168 11.262 -4.242 1.00 0.00 C ATOM 420 O PRO A 29 -5.348 11.411 -4.563 1.00 0.00 O ATOM 421 CB PRO A 29 -3.708 13.065 -2.558 1.00 0.00 C ATOM 422 CG PRO A 29 -2.313 13.504 -2.839 1.00 0.00 C ATOM 423 CD PRO A 29 -1.428 12.356 -2.440 1.00 0.00 C ATOM 0 HA PRO A 29 -4.377 10.995 -2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.422 13.576 -3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.993 13.287 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.185 13.746 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.065 14.402 -2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.543 12.291 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.078 12.456 -1.413 1.00 0.00 H new ATOM 431 N LYS A 30 -3.236 10.841 -5.091 1.00 0.00 N ATOM 432 CA LYS A 30 -3.551 10.522 -6.478 1.00 0.00 C ATOM 433 C LYS A 30 -3.815 9.030 -6.647 1.00 0.00 C ATOM 434 O LYS A 30 -4.502 8.613 -7.580 1.00 0.00 O ATOM 435 CB LYS A 30 -2.405 10.956 -7.395 1.00 0.00 C ATOM 436 CG LYS A 30 -2.210 12.460 -7.456 1.00 0.00 C ATOM 437 CD LYS A 30 -3.162 13.107 -8.447 1.00 0.00 C ATOM 438 CE LYS A 30 -3.137 14.624 -8.336 1.00 0.00 C ATOM 439 NZ LYS A 30 -3.981 15.111 -7.209 1.00 0.00 N ATOM 0 H LYS A 30 -2.255 10.713 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.455 11.066 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.480 10.492 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.595 10.582 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.368 12.888 -6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.181 12.683 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.890 12.811 -9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.175 12.745 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.110 14.961 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.489 15.062 -9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.938 16.149 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.966 14.811 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.629 14.713 -6.315 1.00 0.00 H new ATOM 453 N ILE A 31 -3.268 8.231 -5.738 1.00 0.00 N ATOM 454 CA ILE A 31 -3.447 6.785 -5.786 1.00 0.00 C ATOM 455 C ILE A 31 -4.727 6.365 -5.071 1.00 0.00 C ATOM 456 O ILE A 31 -5.443 5.476 -5.530 1.00 0.00 O ATOM 457 CB ILE A 31 -2.253 6.048 -5.151 1.00 0.00 C ATOM 458 CG1 ILE A 31 -0.940 6.525 -5.775 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.409 4.544 -5.317 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.238 6.458 -4.830 1.00 0.00 C ATOM 0 H ILE A 31 -2.697 8.560 -4.959 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.515 6.511 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.230 6.276 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.724 5.919 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.062 7.552 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.557 4.038 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.327 4.217 -4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.454 4.298 -6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.134 6.811 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.044 7.087 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.387 5.428 -4.507 1.00 0.00 H new ATOM 472 N ILE A 32 -5.010 7.014 -3.946 1.00 0.00 N ATOM 473 CA ILE A 32 -6.206 6.711 -3.169 1.00 0.00 C ATOM 474 C ILE A 32 -7.419 6.537 -4.075 1.00 0.00 C ATOM 475 O ILE A 32 -8.203 5.604 -3.908 1.00 0.00 O ATOM 476 CB ILE A 32 -6.502 7.815 -2.138 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.497 7.749 -0.986 1.00 0.00 C ATOM 478 CG2 ILE A 32 -7.924 7.683 -1.615 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.441 9.016 -0.161 1.00 0.00 C ATOM 0 H ILE A 32 -4.427 7.753 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.012 5.777 -2.642 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.404 8.784 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.755 6.913 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.506 7.544 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.118 8.471 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.626 7.773 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.048 6.710 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.708 8.898 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.153 9.852 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.422 9.211 0.273 1.00 0.00 H new ATOM 491 N GLY A 33 -7.568 7.444 -5.037 1.00 0.00 N ATOM 492 CA GLY A 33 -8.689 7.372 -5.956 1.00 0.00 C ATOM 493 C GLY A 33 -9.605 8.575 -5.849 1.00 0.00 C ATOM 494 O GLY A 33 -9.899 9.044 -4.748 1.00 0.00 O ATOM 0 H GLY A 33 -6.933 8.226 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.314 7.295 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.260 6.465 -5.757 1.00 0.00 H new ATOM 498 N ARG A 34 -10.056 9.078 -6.993 1.00 0.00 N ATOM 499 CA ARG A 34 -10.941 10.237 -7.022 1.00 0.00 C ATOM 500 C ARG A 34 -12.061 10.090 -5.996 1.00 0.00 C ATOM 501 O ARG A 34 -12.265 10.966 -5.155 1.00 0.00 O ATOM 502 CB ARG A 34 -11.537 10.414 -8.420 1.00 0.00 C ATOM 503 CG ARG A 34 -12.575 11.521 -8.504 1.00 0.00 C ATOM 504 CD ARG A 34 -13.974 10.993 -8.225 1.00 0.00 C ATOM 505 NE ARG A 34 -14.987 12.039 -8.341 1.00 0.00 N ATOM 506 CZ ARG A 34 -15.236 12.928 -7.386 1.00 0.00 C ATOM 507 NH1 ARG A 34 -14.550 12.900 -6.252 1.00 0.00 N ATOM 508 NH2 ARG A 34 -16.174 13.851 -7.566 1.00 0.00 N ATOM 0 H ARG A 34 -9.824 8.702 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.353 11.119 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -10.733 10.627 -9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.994 9.475 -8.733 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.331 12.306 -7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.546 11.974 -9.495 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.203 10.187 -8.923 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.007 10.566 -7.223 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.532 12.089 -9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.828 12.194 -6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.744 13.585 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.703 13.877 -8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.365 14.534 -6.833 1.00 0.00 H new ATOM 522 N LYS A 35 -12.784 8.979 -6.072 1.00 0.00 N ATOM 523 CA LYS A 35 -13.883 8.716 -5.150 1.00 0.00 C ATOM 524 C LYS A 35 -13.423 7.838 -3.990 1.00 0.00 C ATOM 525 O LYS A 35 -13.960 7.918 -2.887 1.00 0.00 O ATOM 526 CB LYS A 35 -15.043 8.041 -5.886 1.00 0.00 C ATOM 527 CG LYS A 35 -16.139 7.537 -4.962 1.00 0.00 C ATOM 528 CD LYS A 35 -17.106 8.647 -4.589 1.00 0.00 C ATOM 529 CE LYS A 35 -18.229 8.774 -5.607 1.00 0.00 C ATOM 530 NZ LYS A 35 -17.774 9.455 -6.851 1.00 0.00 N ATOM 0 H LYS A 35 -12.629 8.245 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.222 9.670 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.474 8.749 -6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.656 7.204 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.683 6.727 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.692 7.123 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.528 8.448 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.567 9.592 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.610 7.783 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.056 9.333 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.558 10.010 -7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.980 10.089 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.466 8.743 -7.544 1.00 0.00 H new ATOM 544 N GLY A 36 -12.422 7.001 -4.248 1.00 0.00 N ATOM 545 CA GLY A 36 -11.907 6.122 -3.216 1.00 0.00 C ATOM 546 C GLY A 36 -12.172 4.660 -3.513 1.00 0.00 C ATOM 547 O GLY A 36 -11.761 3.781 -2.757 1.00 0.00 O ATOM 0 H GLY A 36 -11.959 6.917 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.833 6.279 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.362 6.383 -2.260 1.00 0.00 H new ATOM 551 N ALA A 37 -12.863 4.398 -4.618 1.00 0.00 N ATOM 552 CA ALA A 37 -13.184 3.032 -5.013 1.00 0.00 C ATOM 553 C ALA A 37 -11.973 2.342 -5.632 1.00 0.00 C ATOM 554 O ALA A 37 -11.959 1.122 -5.798 1.00 0.00 O ATOM 555 CB ALA A 37 -14.353 3.025 -5.987 1.00 0.00 C ATOM 0 H ALA A 37 -13.211 5.114 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.468 2.478 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.582 1.999 -6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.226 3.472 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.090 3.600 -6.875 1.00 0.00 H new ATOM 561 N VAL A 38 -10.958 3.130 -5.973 1.00 0.00 N ATOM 562 CA VAL A 38 -9.742 2.594 -6.574 1.00 0.00 C ATOM 563 C VAL A 38 -8.901 1.850 -5.542 1.00 0.00 C ATOM 564 O VAL A 38 -8.806 0.623 -5.572 1.00 0.00 O ATOM 565 CB VAL A 38 -8.890 3.710 -7.206 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.600 3.139 -7.775 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.681 4.440 -8.282 1.00 0.00 C ATOM 0 H VAL A 38 -10.954 4.142 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.054 1.899 -7.354 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.629 4.429 -6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.011 3.942 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.028 2.667 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.836 2.399 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.063 5.225 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.974 3.735 -9.060 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.573 4.883 -7.840 1.00 0.00 H new ATOM 577 N ILE A 39 -8.294 2.602 -4.629 1.00 0.00 N ATOM 578 CA ILE A 39 -7.462 2.013 -3.587 1.00 0.00 C ATOM 579 C ILE A 39 -8.200 0.892 -2.863 1.00 0.00 C ATOM 580 O ILE A 39 -7.589 -0.071 -2.400 1.00 0.00 O ATOM 581 CB ILE A 39 -7.018 3.069 -2.558 1.00 0.00 C ATOM 582 CG1 ILE A 39 -5.991 2.473 -1.594 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.220 3.605 -1.796 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.563 2.602 -2.075 1.00 0.00 C ATOM 0 H ILE A 39 -8.363 3.619 -4.590 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.580 1.605 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.551 3.898 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.085 2.965 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.220 1.419 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.889 4.350 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.919 4.063 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.714 2.786 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.890 2.158 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.452 2.085 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.316 3.656 -2.203 1.00 0.00 H new ATOM 596 N THR A 40 -9.520 1.025 -2.767 1.00 0.00 N ATOM 597 CA THR A 40 -10.342 0.024 -2.100 1.00 0.00 C ATOM 598 C THR A 40 -10.309 -1.304 -2.849 1.00 0.00 C ATOM 599 O THR A 40 -10.361 -2.371 -2.240 1.00 0.00 O ATOM 600 CB THR A 40 -11.803 0.492 -1.971 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.857 1.748 -1.284 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.637 -0.537 -1.223 1.00 0.00 C ATOM 0 H THR A 40 -10.042 1.817 -3.143 1.00 0.00 H new ATOM 0 HA THR A 40 -9.924 -0.115 -1.103 1.00 0.00 H new ATOM 0 HB THR A 40 -12.213 0.609 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.442 2.442 -1.838 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.665 -0.184 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.618 -1.483 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.226 -0.682 -0.224 1.00 0.00 H new ATOM 610 N GLN A 41 -10.223 -1.228 -4.173 1.00 0.00 N ATOM 611 CA GLN A 41 -10.184 -2.425 -5.005 1.00 0.00 C ATOM 612 C GLN A 41 -8.960 -3.275 -4.679 1.00 0.00 C ATOM 613 O GLN A 41 -9.083 -4.455 -4.349 1.00 0.00 O ATOM 614 CB GLN A 41 -10.172 -2.041 -6.486 1.00 0.00 C ATOM 615 CG GLN A 41 -10.107 -3.236 -7.423 1.00 0.00 C ATOM 616 CD GLN A 41 -11.254 -4.205 -7.215 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.221 -4.214 -7.976 1.00 0.00 O ATOM 618 NE2 GLN A 41 -11.153 -5.029 -6.178 1.00 0.00 N ATOM 0 H GLN A 41 -10.179 -0.351 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.078 -3.012 -4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.068 -1.462 -6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.317 -1.392 -6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.116 -2.885 -8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.163 -3.759 -7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.334 -4.988 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.895 -5.703 -5.988 1.00 0.00 H new ATOM 627 N ILE A 42 -7.782 -2.668 -4.773 1.00 0.00 N ATOM 628 CA ILE A 42 -6.537 -3.371 -4.486 1.00 0.00 C ATOM 629 C ILE A 42 -6.576 -4.016 -3.105 1.00 0.00 C ATOM 630 O ILE A 42 -6.258 -5.196 -2.952 1.00 0.00 O ATOM 631 CB ILE A 42 -5.325 -2.423 -4.564 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.183 -1.856 -5.977 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.056 -3.151 -4.149 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.569 -0.475 -6.016 1.00 0.00 C ATOM 0 H ILE A 42 -7.663 -1.692 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.430 -4.147 -5.244 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.486 -1.594 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.570 -2.534 -6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.166 -1.821 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.209 -2.468 -4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.161 -3.510 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.888 -3.998 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.499 -0.137 -7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.192 0.217 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.572 -0.508 -5.577 1.00 0.00 H new ATOM 646 N ARG A 43 -6.968 -3.236 -2.104 1.00 0.00 N ATOM 647 CA ARG A 43 -7.048 -3.732 -0.735 1.00 0.00 C ATOM 648 C ARG A 43 -7.802 -5.058 -0.681 1.00 0.00 C ATOM 649 O ARG A 43 -7.289 -6.055 -0.171 1.00 0.00 O ATOM 650 CB ARG A 43 -7.740 -2.704 0.163 1.00 0.00 C ATOM 651 CG ARG A 43 -6.810 -1.611 0.663 1.00 0.00 C ATOM 652 CD ARG A 43 -7.586 -0.473 1.308 1.00 0.00 C ATOM 653 NE ARG A 43 -7.829 -0.711 2.728 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.850 -1.425 3.188 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.717 -1.968 2.346 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.004 -1.597 4.496 1.00 0.00 N ATOM 0 H ARG A 43 -7.235 -2.258 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.032 -3.895 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.562 -2.247 -0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.177 -3.217 1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.109 -2.030 1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.220 -1.225 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.032 0.458 1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.539 -0.347 0.794 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.180 -0.307 3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.601 -1.838 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.500 -2.516 2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.338 -1.181 5.147 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.788 -2.145 4.849 1.00 0.00 H new ATOM 670 N LEU A 44 -9.020 -5.062 -1.211 1.00 0.00 N ATOM 671 CA LEU A 44 -9.846 -6.266 -1.222 1.00 0.00 C ATOM 672 C LEU A 44 -9.210 -7.353 -2.084 1.00 0.00 C ATOM 673 O LEU A 44 -9.260 -8.534 -1.744 1.00 0.00 O ATOM 674 CB LEU A 44 -11.247 -5.942 -1.741 1.00 0.00 C ATOM 675 CG LEU A 44 -12.214 -5.328 -0.727 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.470 -4.828 -1.423 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.567 -6.342 0.351 1.00 0.00 C ATOM 0 H LEU A 44 -9.458 -4.246 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.921 -6.636 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.151 -5.256 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.691 -6.860 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.724 -4.478 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.146 -4.395 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.201 -4.070 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.964 -5.660 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.256 -5.890 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.039 -7.211 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.660 -6.653 0.869 1.00 0.00 H new ATOM 689 N GLU A 45 -8.611 -6.944 -3.198 1.00 0.00 N ATOM 690 CA GLU A 45 -7.965 -7.883 -4.106 1.00 0.00 C ATOM 691 C GLU A 45 -6.915 -8.714 -3.373 1.00 0.00 C ATOM 692 O GLU A 45 -6.856 -9.934 -3.527 1.00 0.00 O ATOM 693 CB GLU A 45 -7.315 -7.135 -5.272 1.00 0.00 C ATOM 694 CG GLU A 45 -6.991 -8.025 -6.461 1.00 0.00 C ATOM 695 CD GLU A 45 -8.219 -8.716 -7.023 1.00 0.00 C ATOM 696 OE1 GLU A 45 -8.562 -9.810 -6.528 1.00 0.00 O ATOM 697 OE2 GLU A 45 -8.835 -8.163 -7.959 1.00 0.00 O ATOM 0 H GLU A 45 -8.560 -5.969 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.729 -8.555 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.982 -6.337 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.398 -6.661 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.526 -7.425 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.261 -8.777 -6.160 1.00 0.00 H new ATOM 704 N HIS A 46 -6.090 -8.044 -2.575 1.00 0.00 N ATOM 705 CA HIS A 46 -5.043 -8.720 -1.818 1.00 0.00 C ATOM 706 C HIS A 46 -5.444 -8.872 -0.354 1.00 0.00 C ATOM 707 O HIS A 46 -4.610 -9.179 0.500 1.00 0.00 O ATOM 708 CB HIS A 46 -3.729 -7.945 -1.922 1.00 0.00 C ATOM 709 CG HIS A 46 -3.223 -7.809 -3.325 1.00 0.00 C ATOM 710 ND1 HIS A 46 -3.110 -6.722 -4.123 1.00 0.00 N flip ATOM 711 CD2 HIS A 46 -2.761 -8.876 -4.066 1.00 0.00 C flip ATOM 712 CE1 HIS A 46 -2.586 -7.148 -5.319 1.00 0.00 C flip ATOM 713 NE2 HIS A 46 -2.384 -8.451 -5.258 1.00 0.00 N flip ATOM 0 H HIS A 46 -6.126 -7.034 -2.436 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.904 -9.714 -2.243 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.868 -6.951 -1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.972 -8.446 -1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.715 -9.900 -3.725 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.374 -6.519 -6.171 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.002 -9.031 -6.005 1.00 0.00 H new ATOM 721 N ASP A 47 -6.723 -8.654 -0.069 1.00 0.00 N ATOM 722 CA ASP A 47 -7.234 -8.767 1.292 1.00 0.00 C ATOM 723 C ASP A 47 -6.256 -8.159 2.292 1.00 0.00 C ATOM 724 O ASP A 47 -5.897 -8.788 3.288 1.00 0.00 O ATOM 725 CB ASP A 47 -7.493 -10.234 1.642 1.00 0.00 C ATOM 726 CG ASP A 47 -8.839 -10.719 1.139 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.137 -10.508 -0.055 1.00 0.00 O ATOM 728 OD2 ASP A 47 -9.593 -11.309 1.941 1.00 0.00 O ATOM 0 H ASP A 47 -7.425 -8.398 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.173 -8.216 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.704 -10.852 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.445 -10.361 2.724 1.00 0.00 H new ATOM 733 N VAL A 48 -5.826 -6.930 2.018 1.00 0.00 N ATOM 734 CA VAL A 48 -4.889 -6.236 2.894 1.00 0.00 C ATOM 735 C VAL A 48 -5.444 -4.884 3.330 1.00 0.00 C ATOM 736 O VAL A 48 -6.530 -4.484 2.914 1.00 0.00 O ATOM 737 CB VAL A 48 -3.529 -6.023 2.204 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.734 -7.319 2.179 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.725 -5.481 0.796 1.00 0.00 C ATOM 0 H VAL A 48 -6.112 -6.396 1.197 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.747 -6.867 3.771 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.962 -5.288 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.776 -7.149 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.563 -7.660 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.293 -8.078 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.754 -5.336 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.311 -6.190 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.251 -4.527 0.843 1.00 0.00 H new ATOM 749 N ASN A 49 -4.687 -4.183 4.169 1.00 0.00 N ATOM 750 CA ASN A 49 -5.102 -2.875 4.661 1.00 0.00 C ATOM 751 C ASN A 49 -4.088 -1.802 4.276 1.00 0.00 C ATOM 752 O ASN A 49 -2.929 -1.853 4.688 1.00 0.00 O ATOM 753 CB ASN A 49 -5.273 -2.909 6.181 1.00 0.00 C ATOM 754 CG ASN A 49 -5.857 -1.621 6.726 1.00 0.00 C ATOM 755 OD1 ASN A 49 -6.036 -0.648 5.993 1.00 0.00 O ATOM 756 ND2 ASN A 49 -6.155 -1.608 8.021 1.00 0.00 N ATOM 0 H ASN A 49 -3.784 -4.499 4.522 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.058 -2.628 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.921 -3.742 6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.306 -3.093 6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.549 -0.768 8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.990 -2.438 8.591 1.00 0.00 H new ATOM 763 N ILE A 50 -4.534 -0.831 3.485 1.00 0.00 N ATOM 764 CA ILE A 50 -3.666 0.255 3.047 1.00 0.00 C ATOM 765 C ILE A 50 -4.142 1.595 3.595 1.00 0.00 C ATOM 766 O ILE A 50 -5.328 1.917 3.527 1.00 0.00 O ATOM 767 CB ILE A 50 -3.599 0.336 1.510 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.300 -1.042 0.917 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.544 1.344 1.079 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.532 -1.121 -0.576 1.00 0.00 C ATOM 0 H ILE A 50 -5.490 -0.775 3.135 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.671 0.040 3.436 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.567 0.669 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.263 -1.303 1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.924 -1.785 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.508 1.390 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.797 2.327 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.570 1.038 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.300 -2.126 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.575 -0.892 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.888 -0.402 -1.083 1.00 0.00 H new ATOM 782 N GLN A 51 -3.211 2.372 4.137 1.00 0.00 N ATOM 783 CA GLN A 51 -3.535 3.679 4.696 1.00 0.00 C ATOM 784 C GLN A 51 -2.456 4.701 4.357 1.00 0.00 C ATOM 785 O GLN A 51 -1.266 4.382 4.347 1.00 0.00 O ATOM 786 CB GLN A 51 -3.702 3.581 6.213 1.00 0.00 C ATOM 787 CG GLN A 51 -4.626 4.639 6.794 1.00 0.00 C ATOM 788 CD GLN A 51 -4.884 4.440 8.275 1.00 0.00 C ATOM 789 OE1 GLN A 51 -3.950 4.317 9.068 1.00 0.00 O ATOM 790 NE2 GLN A 51 -6.156 4.407 8.654 1.00 0.00 N ATOM 0 H GLN A 51 -2.225 2.119 4.201 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.474 4.011 4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.090 2.594 6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.723 3.668 6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.189 5.625 6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.575 4.621 6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.897 4.513 7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.392 4.275 9.638 1.00 0.00 H new ATOM 799 N PHE A 52 -2.877 5.929 4.076 1.00 0.00 N ATOM 800 CA PHE A 52 -1.946 6.998 3.735 1.00 0.00 C ATOM 801 C PHE A 52 -1.775 7.965 4.903 1.00 0.00 C ATOM 802 O PHE A 52 -2.696 8.204 5.683 1.00 0.00 O ATOM 803 CB PHE A 52 -2.438 7.756 2.499 1.00 0.00 C ATOM 804 CG PHE A 52 -2.528 6.901 1.268 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.684 6.191 0.984 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.457 6.806 0.394 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.769 5.402 -0.147 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.537 6.020 -0.740 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.695 5.318 -1.011 1.00 0.00 C ATOM 0 H PHE A 52 -3.858 6.209 4.078 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.978 6.547 3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.420 8.180 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.765 8.591 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.528 6.255 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.549 7.353 0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.675 4.851 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.695 5.955 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.761 4.704 -1.897 1.00 0.00 H new ATOM 819 N PRO A 53 -0.565 8.532 5.028 1.00 0.00 N ATOM 820 CA PRO A 53 -0.244 9.481 6.097 1.00 0.00 C ATOM 821 C PRO A 53 -0.961 10.816 5.923 1.00 0.00 C ATOM 822 O PRO A 53 -1.390 11.163 4.823 1.00 0.00 O ATOM 823 CB PRO A 53 1.270 9.667 5.963 1.00 0.00 C ATOM 824 CG PRO A 53 1.565 9.353 4.537 1.00 0.00 C ATOM 825 CD PRO A 53 0.580 8.292 4.133 1.00 0.00 C ATOM 0 HA PRO A 53 -0.558 9.115 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.568 10.685 6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.812 9.002 6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.460 10.240 3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.589 8.999 4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.297 8.385 3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.991 7.291 4.265 1.00 0.00 H new ATOM 833 N ASP A 54 -1.088 11.560 7.017 1.00 0.00 N ATOM 834 CA ASP A 54 -1.752 12.858 6.985 1.00 0.00 C ATOM 835 C ASP A 54 -0.748 13.987 7.192 1.00 0.00 C ATOM 836 O ASP A 54 0.105 13.920 8.079 1.00 0.00 O ATOM 837 CB ASP A 54 -2.841 12.923 8.057 1.00 0.00 C ATOM 838 CG ASP A 54 -3.938 13.911 7.708 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.529 13.779 6.616 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.204 14.814 8.528 1.00 0.00 O ATOM 0 H ASP A 54 -0.740 11.286 7.936 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.211 12.981 6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.276 11.933 8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.393 13.204 9.010 1.00 0.00 H new ATOM 845 N LYS A 55 -0.854 15.025 6.370 1.00 0.00 N ATOM 846 CA LYS A 55 0.043 16.171 6.462 1.00 0.00 C ATOM 847 C LYS A 55 -0.210 16.957 7.744 1.00 0.00 C ATOM 848 O LYS A 55 0.678 17.652 8.242 1.00 0.00 O ATOM 849 CB LYS A 55 -0.135 17.084 5.247 1.00 0.00 C ATOM 850 CG LYS A 55 -1.490 17.768 5.195 1.00 0.00 C ATOM 851 CD LYS A 55 -1.488 19.070 5.979 1.00 0.00 C ATOM 852 CE LYS A 55 -2.508 20.054 5.428 1.00 0.00 C ATOM 853 NZ LYS A 55 -2.134 21.465 5.724 1.00 0.00 N ATOM 0 H LYS A 55 -1.554 15.096 5.631 1.00 0.00 H new ATOM 0 HA LYS A 55 1.067 15.799 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.646 17.844 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.002 16.497 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.758 17.967 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.251 17.100 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.708 18.865 7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.494 19.516 5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.596 19.920 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.487 19.840 5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.854 22.105 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.075 21.600 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.211 21.677 5.293 1.00 0.00 H new ATOM 867 N ASP A 56 -1.422 16.844 8.274 1.00 0.00 N ATOM 868 CA ASP A 56 -1.790 17.543 9.499 1.00 0.00 C ATOM 869 C ASP A 56 -0.985 17.021 10.685 1.00 0.00 C ATOM 870 O ASP A 56 -0.514 17.796 11.518 1.00 0.00 O ATOM 871 CB ASP A 56 -3.287 17.383 9.774 1.00 0.00 C ATOM 872 CG ASP A 56 -3.806 18.404 10.767 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.638 18.184 11.984 1.00 0.00 O ATOM 874 OD2 ASP A 56 -4.379 19.423 10.327 1.00 0.00 O ATOM 0 H ASP A 56 -2.167 16.274 7.874 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.564 18.601 9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.837 17.478 8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.478 16.380 10.155 1.00 0.00 H new ATOM 879 N ASP A 57 -0.832 15.703 10.756 1.00 0.00 N ATOM 880 CA ASP A 57 -0.084 15.077 11.840 1.00 0.00 C ATOM 881 C ASP A 57 1.345 15.608 11.891 1.00 0.00 C ATOM 882 O ASP A 57 1.772 16.176 12.894 1.00 0.00 O ATOM 883 CB ASP A 57 -0.072 13.558 11.669 1.00 0.00 C ATOM 884 CG ASP A 57 0.032 12.827 12.993 1.00 0.00 C ATOM 885 OD1 ASP A 57 -1.021 12.539 13.596 1.00 0.00 O ATOM 886 OD2 ASP A 57 1.169 12.542 13.426 1.00 0.00 O ATOM 0 H ASP A 57 -1.216 15.047 10.075 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.578 15.324 12.780 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.981 13.246 11.156 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.767 13.273 11.033 1.00 0.00 H new ATOM 891 N GLY A 58 2.081 15.416 10.800 1.00 0.00 N ATOM 892 CA GLY A 58 3.455 15.878 10.741 1.00 0.00 C ATOM 893 C GLY A 58 4.438 14.845 11.254 1.00 0.00 C ATOM 894 O GLY A 58 5.142 14.206 10.473 1.00 0.00 O ATOM 0 H GLY A 58 1.750 14.949 9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.705 16.133 9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.553 16.791 11.328 1.00 0.00 H new ATOM 898 N ASN A 59 4.488 14.682 12.573 1.00 0.00 N ATOM 899 CA ASN A 59 5.394 13.719 13.190 1.00 0.00 C ATOM 900 C ASN A 59 5.510 12.458 12.339 1.00 0.00 C ATOM 901 O ASN A 59 6.571 11.839 12.272 1.00 0.00 O ATOM 902 CB ASN A 59 4.908 13.359 14.595 1.00 0.00 C ATOM 903 CG ASN A 59 4.918 14.549 15.533 1.00 0.00 C ATOM 904 OD1 ASN A 59 3.890 15.188 15.754 1.00 0.00 O ATOM 905 ND2 ASN A 59 6.084 14.853 16.092 1.00 0.00 N ATOM 0 H ASN A 59 3.913 15.204 13.234 1.00 0.00 H new ATOM 0 HA ASN A 59 6.380 14.178 13.261 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.897 12.956 14.535 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.541 12.572 15.005 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.152 15.644 16.733 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.912 14.296 15.880 1.00 0.00 H new ATOM 912 N GLN A 60 4.410 12.085 11.692 1.00 0.00 N ATOM 913 CA GLN A 60 4.388 10.897 10.846 1.00 0.00 C ATOM 914 C GLN A 60 4.836 11.232 9.426 1.00 0.00 C ATOM 915 O GLN A 60 4.648 12.346 8.937 1.00 0.00 O ATOM 916 CB GLN A 60 2.986 10.289 10.822 1.00 0.00 C ATOM 917 CG GLN A 60 2.456 9.926 12.200 1.00 0.00 C ATOM 918 CD GLN A 60 0.985 9.562 12.183 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.168 10.426 11.592 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 0.587 8.515 12.695 1.00 0.00 N flip ATOM 0 H GLN A 60 3.524 12.588 11.737 1.00 0.00 H new ATOM 0 HA GLN A 60 5.084 10.170 11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.301 10.995 10.353 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.998 9.395 10.199 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.029 9.088 12.596 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.611 10.766 12.877 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.250 7.880 13.139 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.406 8.283 12.675 1.00 0.00 H new ATOM 929 N PRO A 61 5.439 10.245 8.748 1.00 0.00 N ATOM 930 CA PRO A 61 5.925 10.412 7.374 1.00 0.00 C ATOM 931 C PRO A 61 4.786 10.539 6.368 1.00 0.00 C ATOM 932 O PRO A 61 3.837 9.755 6.390 1.00 0.00 O ATOM 933 CB PRO A 61 6.720 9.128 7.122 1.00 0.00 C ATOM 934 CG PRO A 61 6.125 8.125 8.048 1.00 0.00 C ATOM 935 CD PRO A 61 5.695 8.892 9.269 1.00 0.00 C ATOM 0 HA PRO A 61 6.511 11.323 7.256 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.635 8.807 6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.781 9.273 7.325 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.277 7.621 7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.851 7.354 8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.802 8.460 9.721 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.471 8.896 10.035 1.00 0.00 H new ATOM 943 N GLN A 62 4.887 11.530 5.489 1.00 0.00 N ATOM 944 CA GLN A 62 3.864 11.759 4.475 1.00 0.00 C ATOM 945 C GLN A 62 4.198 11.012 3.187 1.00 0.00 C ATOM 946 O GLN A 62 3.324 10.768 2.356 1.00 0.00 O ATOM 947 CB GLN A 62 3.724 13.255 4.190 1.00 0.00 C ATOM 948 CG GLN A 62 3.435 14.086 5.431 1.00 0.00 C ATOM 949 CD GLN A 62 2.311 13.510 6.270 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.223 13.232 5.764 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.569 13.327 7.559 1.00 0.00 N ATOM 0 H GLN A 62 5.666 12.187 5.458 1.00 0.00 H new ATOM 0 HA GLN A 62 2.917 11.380 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.642 13.616 3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.922 13.405 3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.338 14.153 6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.176 15.102 5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.485 13.572 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.851 12.942 8.173 1.00 0.00 H new ATOM 960 N ASP A 63 5.467 10.655 3.029 1.00 0.00 N ATOM 961 CA ASP A 63 5.916 9.936 1.842 1.00 0.00 C ATOM 962 C ASP A 63 5.902 8.430 2.082 1.00 0.00 C ATOM 963 O ASP A 63 6.150 7.645 1.167 1.00 0.00 O ATOM 964 CB ASP A 63 7.323 10.388 1.448 1.00 0.00 C ATOM 965 CG ASP A 63 8.396 9.781 2.330 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.333 9.980 3.562 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.296 9.106 1.790 1.00 0.00 O ATOM 0 H ASP A 63 6.203 10.851 3.707 1.00 0.00 H new ATOM 0 HA ASP A 63 5.228 10.163 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.512 10.113 0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.382 11.475 1.506 1.00 0.00 H new ATOM 972 N GLN A 64 5.609 8.035 3.316 1.00 0.00 N ATOM 973 CA GLN A 64 5.564 6.622 3.675 1.00 0.00 C ATOM 974 C GLN A 64 4.124 6.125 3.750 1.00 0.00 C ATOM 975 O GLN A 64 3.285 6.726 4.423 1.00 0.00 O ATOM 976 CB GLN A 64 6.267 6.391 5.014 1.00 0.00 C ATOM 977 CG GLN A 64 7.755 6.700 4.981 1.00 0.00 C ATOM 978 CD GLN A 64 8.589 5.503 4.568 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.543 5.163 3.286 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.268 4.891 5.393 1.00 0.00 N flip ATOM 0 H GLN A 64 5.399 8.673 4.084 1.00 0.00 H new ATOM 0 HA GLN A 64 6.083 6.059 2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.793 7.010 5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.127 5.353 5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.937 7.521 4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.074 7.038 5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.274 5.187 6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.825 4.088 5.100 1.00 0.00 H new ATOM 989 N ILE A 65 3.845 5.027 3.057 1.00 0.00 N ATOM 990 CA ILE A 65 2.506 4.450 3.046 1.00 0.00 C ATOM 991 C ILE A 65 2.416 3.253 3.987 1.00 0.00 C ATOM 992 O ILE A 65 3.189 2.301 3.874 1.00 0.00 O ATOM 993 CB ILE A 65 2.095 4.007 1.630 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.202 5.181 0.653 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.681 3.446 1.639 1.00 0.00 C ATOM 996 CD1 ILE A 65 1.888 4.807 -0.777 1.00 0.00 C ATOM 0 H ILE A 65 4.528 4.519 2.495 1.00 0.00 H new ATOM 0 HA ILE A 65 1.824 5.229 3.386 1.00 0.00 H new ATOM 0 HB ILE A 65 2.774 3.221 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.522 5.971 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.211 5.591 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.406 3.137 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.635 2.586 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.012 4.212 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.984 5.687 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.584 4.039 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.869 4.425 -0.838 1.00 0.00 H new ATOM 1008 N THR A 66 1.466 3.307 4.915 1.00 0.00 N ATOM 1009 CA THR A 66 1.274 2.227 5.875 1.00 0.00 C ATOM 1010 C THR A 66 0.388 1.129 5.297 1.00 0.00 C ATOM 1011 O THR A 66 -0.714 1.396 4.816 1.00 0.00 O ATOM 1012 CB THR A 66 0.643 2.744 7.183 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.192 3.875 6.910 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.719 3.131 8.185 1.00 0.00 C ATOM 0 H THR A 66 0.818 4.087 5.022 1.00 0.00 H new ATOM 0 HA THR A 66 2.261 1.818 6.092 1.00 0.00 H new ATOM 0 HB THR A 66 0.040 1.944 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.681 3.726 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.251 3.493 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.335 2.261 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.344 3.917 7.762 1.00 0.00 H new ATOM 1022 N ILE A 67 0.877 -0.105 5.348 1.00 0.00 N ATOM 1023 CA ILE A 67 0.128 -1.245 4.831 1.00 0.00 C ATOM 1024 C ILE A 67 0.268 -2.456 5.747 1.00 0.00 C ATOM 1025 O ILE A 67 1.378 -2.892 6.053 1.00 0.00 O ATOM 1026 CB ILE A 67 0.594 -1.629 3.414 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.476 -0.429 2.472 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.218 -2.803 2.890 1.00 0.00 C ATOM 1029 CD1 ILE A 67 0.991 -0.705 1.076 1.00 0.00 C ATOM 0 H ILE A 67 1.788 -0.342 5.742 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.919 -0.943 4.790 1.00 0.00 H new ATOM 0 HB ILE A 67 1.641 -1.929 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.569 -0.126 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.028 0.411 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.123 -3.063 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.087 -3.660 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.272 -2.529 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.876 0.189 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.045 -0.979 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.423 -1.524 0.634 1.00 0.00 H new ATOM 1041 N THR A 68 -0.866 -2.997 6.181 1.00 0.00 N ATOM 1042 CA THR A 68 -0.871 -4.159 7.060 1.00 0.00 C ATOM 1043 C THR A 68 -1.390 -5.396 6.336 1.00 0.00 C ATOM 1044 O THR A 68 -2.120 -5.290 5.350 1.00 0.00 O ATOM 1045 CB THR A 68 -1.733 -3.912 8.313 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.476 -2.604 8.834 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.445 -4.956 9.382 1.00 0.00 C ATOM 0 H THR A 68 -1.793 -2.648 5.938 1.00 0.00 H new ATOM 0 HA THR A 68 0.162 -4.328 7.365 1.00 0.00 H new ATOM 0 HB THR A 68 -2.782 -3.988 8.027 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.029 -2.454 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.065 -4.761 10.257 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.670 -5.948 8.991 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.393 -4.907 9.664 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.010 -6.570 6.830 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.447 -7.811 6.217 1.00 0.00 C ATOM 1057 C GLY A 69 -0.310 -8.794 6.024 1.00 0.00 C ATOM 1058 O GLY A 69 0.833 -8.511 6.382 1.00 0.00 O ATOM 0 H GLY A 69 -0.407 -6.684 7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.217 -8.268 6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.904 -7.594 5.251 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.623 -9.954 5.458 1.00 0.00 N ATOM 1063 CA TYR A 70 0.380 -10.985 5.222 1.00 0.00 C ATOM 1064 C TYR A 70 1.581 -10.415 4.472 1.00 0.00 C ATOM 1065 O TYR A 70 1.445 -9.896 3.365 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.227 -12.145 4.430 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.281 -12.913 5.193 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -0.985 -13.517 6.409 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.574 -13.036 4.699 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -1.946 -14.221 7.110 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.541 -13.736 5.393 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.222 -14.328 6.598 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.182 -15.026 7.293 1.00 0.00 O ATOM 0 H TYR A 70 -1.564 -10.204 5.154 1.00 0.00 H new ATOM 0 HA TYR A 70 0.720 -11.354 6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.667 -11.756 3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.569 -12.830 4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.013 -13.435 6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.827 -12.576 3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.699 -14.685 8.054 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.541 -13.820 4.995 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.026 -15.005 6.796 1.00 0.00 H new ATOM 1083 N GLU A 71 2.755 -10.518 5.086 1.00 0.00 N ATOM 1084 CA GLU A 71 3.980 -10.013 4.476 1.00 0.00 C ATOM 1085 C GLU A 71 3.946 -10.184 2.961 1.00 0.00 C ATOM 1086 O GLU A 71 4.411 -9.322 2.215 1.00 0.00 O ATOM 1087 CB GLU A 71 5.200 -10.735 5.055 1.00 0.00 C ATOM 1088 CG GLU A 71 6.480 -10.487 4.276 1.00 0.00 C ATOM 1089 CD GLU A 71 7.640 -11.324 4.778 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.666 -11.638 5.987 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.520 -11.667 3.962 1.00 0.00 O ATOM 0 H GLU A 71 2.884 -10.945 6.003 1.00 0.00 H new ATOM 0 HA GLU A 71 4.055 -8.949 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.345 -10.415 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.001 -11.806 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.308 -10.706 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.743 -9.431 4.343 1.00 0.00 H new ATOM 1098 N LYS A 72 3.391 -11.305 2.511 1.00 0.00 N ATOM 1099 CA LYS A 72 3.294 -11.592 1.084 1.00 0.00 C ATOM 1100 C LYS A 72 2.217 -10.733 0.429 1.00 0.00 C ATOM 1101 O LYS A 72 2.506 -9.926 -0.453 1.00 0.00 O ATOM 1102 CB LYS A 72 2.986 -13.074 0.861 1.00 0.00 C ATOM 1103 CG LYS A 72 4.042 -14.007 1.427 1.00 0.00 C ATOM 1104 CD LYS A 72 3.944 -14.109 2.940 1.00 0.00 C ATOM 1105 CE LYS A 72 4.625 -15.366 3.460 1.00 0.00 C ATOM 1106 NZ LYS A 72 4.126 -16.591 2.774 1.00 0.00 N ATOM 0 H LYS A 72 3.002 -12.030 3.114 1.00 0.00 H new ATOM 0 HA LYS A 72 4.253 -11.354 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.024 -13.309 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.886 -13.259 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.927 -14.997 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.033 -13.648 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.402 -13.231 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.896 -14.112 3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.702 -15.282 3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.453 -15.455 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.231 -17.410 3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.122 -16.468 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.676 -16.751 1.906 1.00 0.00 H new ATOM 1120 N ASN A 73 0.975 -10.913 0.868 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.144 -10.154 0.324 1.00 0.00 C ATOM 1122 C ASN A 73 0.209 -8.675 0.201 1.00 0.00 C ATOM 1123 O ASN A 73 -0.007 -8.058 -0.843 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.381 -10.322 1.211 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.070 -11.655 0.996 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.545 -12.535 0.312 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.253 -11.810 1.579 1.00 0.00 N ATOM 0 H ASN A 73 0.719 -11.577 1.598 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.363 -10.541 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.089 -10.232 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.084 -9.515 1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.765 -12.685 1.469 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.650 -11.054 2.137 1.00 0.00 H new ATOM 1134 N THR A 74 0.755 -8.111 1.273 1.00 0.00 N ATOM 1135 CA THR A 74 1.140 -6.705 1.287 1.00 0.00 C ATOM 1136 C THR A 74 1.880 -6.326 0.008 1.00 0.00 C ATOM 1137 O THR A 74 1.398 -5.511 -0.778 1.00 0.00 O ATOM 1138 CB THR A 74 2.031 -6.377 2.498 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.203 -7.201 2.482 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.274 -6.590 3.801 1.00 0.00 C ATOM 0 H THR A 74 0.941 -8.607 2.145 1.00 0.00 H new ATOM 0 HA THR A 74 0.219 -6.126 1.357 1.00 0.00 H new ATOM 0 HB THR A 74 2.323 -5.329 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.740 -7.021 3.282 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.924 -6.352 4.643 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.399 -5.941 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.956 -7.630 3.871 1.00 0.00 H new ATOM 1148 N GLU A 75 3.050 -6.922 -0.192 1.00 0.00 N ATOM 1149 CA GLU A 75 3.856 -6.645 -1.375 1.00 0.00 C ATOM 1150 C GLU A 75 2.978 -6.538 -2.618 1.00 0.00 C ATOM 1151 O GLU A 75 3.003 -5.532 -3.325 1.00 0.00 O ATOM 1152 CB GLU A 75 4.907 -7.740 -1.572 1.00 0.00 C ATOM 1153 CG GLU A 75 5.739 -8.014 -0.331 1.00 0.00 C ATOM 1154 CD GLU A 75 7.141 -8.487 -0.663 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.968 -7.647 -1.076 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.412 -9.696 -0.509 1.00 0.00 O ATOM 0 H GLU A 75 3.461 -7.600 0.450 1.00 0.00 H new ATOM 0 HA GLU A 75 4.361 -5.691 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.408 -8.660 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.570 -7.453 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.798 -7.107 0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.240 -8.768 0.278 1.00 0.00 H new ATOM 1163 N ALA A 76 2.201 -7.585 -2.879 1.00 0.00 N ATOM 1164 CA ALA A 76 1.314 -7.610 -4.035 1.00 0.00 C ATOM 1165 C ALA A 76 0.579 -6.282 -4.192 1.00 0.00 C ATOM 1166 O ALA A 76 0.357 -5.813 -5.307 1.00 0.00 O ATOM 1167 CB ALA A 76 0.318 -8.754 -3.912 1.00 0.00 C ATOM 0 H ALA A 76 2.168 -8.427 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 76 1.923 -7.767 -4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.338 -8.760 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.856 -9.700 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.278 -8.622 -3.009 1.00 0.00 H new ATOM 1173 N ALA A 77 0.206 -5.682 -3.066 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.502 -4.407 -3.080 1.00 0.00 C ATOM 1175 C ALA A 77 0.472 -3.239 -3.196 1.00 0.00 C ATOM 1176 O ALA A 77 0.330 -2.385 -4.071 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.354 -4.264 -1.827 1.00 0.00 C ATOM 0 H ALA A 77 0.382 -6.057 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.153 -4.390 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.877 -3.308 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.081 -5.075 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.714 -4.307 -0.945 1.00 0.00 H new ATOM 1183 N ARG A 78 1.460 -3.209 -2.307 1.00 0.00 N ATOM 1184 CA ARG A 78 2.456 -2.144 -2.310 1.00 0.00 C ATOM 1185 C ARG A 78 3.118 -2.022 -3.679 1.00 0.00 C ATOM 1186 O ARG A 78 3.679 -0.980 -4.018 1.00 0.00 O ATOM 1187 CB ARG A 78 3.517 -2.409 -1.241 1.00 0.00 C ATOM 1188 CG ARG A 78 4.662 -3.287 -1.722 1.00 0.00 C ATOM 1189 CD ARG A 78 5.789 -2.458 -2.315 1.00 0.00 C ATOM 1190 NE ARG A 78 6.511 -3.182 -3.357 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.764 -2.912 -3.707 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.431 -1.940 -3.100 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.354 -3.616 -4.665 1.00 0.00 N ATOM 0 H ARG A 78 1.592 -3.909 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 78 1.949 -1.205 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.920 -1.456 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.044 -2.883 -0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.043 -3.878 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.294 -3.990 -2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.381 -1.536 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.483 -2.172 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 78 6.027 -3.937 -3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.982 -1.397 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.393 -1.735 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.845 -4.366 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.316 -3.407 -4.932 1.00 0.00 H new ATOM 1207 N ASP A 79 3.049 -3.093 -4.463 1.00 0.00 N ATOM 1208 CA ASP A 79 3.640 -3.106 -5.795 1.00 0.00 C ATOM 1209 C ASP A 79 2.846 -2.221 -6.750 1.00 0.00 C ATOM 1210 O ASP A 79 3.389 -1.698 -7.723 1.00 0.00 O ATOM 1211 CB ASP A 79 3.701 -4.535 -6.335 1.00 0.00 C ATOM 1212 CG ASP A 79 4.588 -4.654 -7.560 1.00 0.00 C ATOM 1213 OD1 ASP A 79 4.854 -3.617 -8.202 1.00 0.00 O ATOM 1214 OD2 ASP A 79 5.014 -5.785 -7.875 1.00 0.00 O ATOM 0 H ASP A 79 2.589 -3.964 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 79 4.653 -2.711 -5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.073 -5.199 -5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.694 -4.869 -6.585 1.00 0.00 H new ATOM 1219 N ALA A 80 1.559 -2.057 -6.465 1.00 0.00 N ATOM 1220 CA ALA A 80 0.690 -1.234 -7.298 1.00 0.00 C ATOM 1221 C ALA A 80 1.011 0.247 -7.130 1.00 0.00 C ATOM 1222 O ALA A 80 1.255 0.954 -8.107 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.770 -1.503 -6.965 1.00 0.00 C ATOM 0 H ALA A 80 1.094 -2.483 -5.663 1.00 0.00 H new ATOM 0 HA ALA A 80 0.867 -1.500 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.407 -0.882 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.996 -2.554 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.954 -1.266 -5.917 1.00 0.00 H new ATOM 1229 N ILE A 81 1.006 0.711 -5.884 1.00 0.00 N ATOM 1230 CA ILE A 81 1.296 2.108 -5.589 1.00 0.00 C ATOM 1231 C ILE A 81 2.488 2.605 -6.399 1.00 0.00 C ATOM 1232 O ILE A 81 2.517 3.753 -6.843 1.00 0.00 O ATOM 1233 CB ILE A 81 1.583 2.319 -4.091 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.384 1.875 -3.251 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.919 3.777 -3.815 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.741 1.525 -1.824 1.00 0.00 C ATOM 0 H ILE A 81 0.804 0.139 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 81 0.410 2.679 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 81 2.443 1.710 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.360 2.671 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.079 1.009 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.119 3.909 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.801 4.062 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.078 4.406 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.158 1.219 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.462 0.707 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.177 2.396 -1.334 1.00 0.00 H new ATOM 1248 N LEU A 82 3.473 1.732 -6.589 1.00 0.00 N ATOM 1249 CA LEU A 82 4.669 2.081 -7.347 1.00 0.00 C ATOM 1250 C LEU A 82 4.402 2.011 -8.847 1.00 0.00 C ATOM 1251 O LEU A 82 4.718 2.941 -9.589 1.00 0.00 O ATOM 1252 CB LEU A 82 5.822 1.145 -6.978 1.00 0.00 C ATOM 1253 CG LEU A 82 6.090 0.969 -5.483 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.136 -0.111 -5.253 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.534 2.285 -4.862 1.00 0.00 C ATOM 0 H LEU A 82 3.466 0.778 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 82 4.945 3.104 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.620 0.164 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.732 1.518 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 82 5.163 0.658 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.314 -0.223 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.779 -1.056 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.065 0.171 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.720 2.141 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.448 2.626 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.752 3.032 -4.995 1.00 0.00 H new ATOM 1267 N ARG A 83 3.816 0.902 -9.287 1.00 0.00 N ATOM 1268 CA ARG A 83 3.505 0.711 -10.699 1.00 0.00 C ATOM 1269 C ARG A 83 2.903 1.977 -11.299 1.00 0.00 C ATOM 1270 O ARG A 83 3.111 2.279 -12.475 1.00 0.00 O ATOM 1271 CB ARG A 83 2.538 -0.461 -10.876 1.00 0.00 C ATOM 1272 CG ARG A 83 2.607 -1.106 -12.250 1.00 0.00 C ATOM 1273 CD ARG A 83 1.477 -2.102 -12.455 1.00 0.00 C ATOM 1274 NE ARG A 83 1.826 -3.133 -13.429 1.00 0.00 N ATOM 1275 CZ ARG A 83 1.238 -4.324 -13.482 1.00 0.00 C ATOM 1276 NH1 ARG A 83 0.278 -4.630 -12.622 1.00 0.00 N ATOM 1277 NH2 ARG A 83 1.612 -5.209 -14.397 1.00 0.00 N ATOM 0 H ARG A 83 3.547 0.123 -8.687 1.00 0.00 H new ATOM 0 HA ARG A 83 4.434 0.488 -11.223 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.752 -1.215 -10.119 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.521 -0.112 -10.699 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.557 -0.334 -13.018 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.565 -1.612 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.230 -2.572 -11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.585 -1.574 -12.790 1.00 0.00 H new ATOM 0 HE ARG A 83 2.561 -2.928 -14.106 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.011 -3.951 -11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.172 -5.544 -12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.351 -4.976 -15.060 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.161 -6.123 -14.437 1.00 0.00 H new ATOM 1291 N ILE A 84 2.155 2.714 -10.485 1.00 0.00 N ATOM 1292 CA ILE A 84 1.522 3.948 -10.936 1.00 0.00 C ATOM 1293 C ILE A 84 2.508 5.111 -10.911 1.00 0.00 C ATOM 1294 O ILE A 84 2.802 5.712 -11.945 1.00 0.00 O ATOM 1295 CB ILE A 84 0.302 4.306 -10.067 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.607 3.086 -9.900 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.465 5.465 -10.684 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.435 3.118 -8.634 1.00 0.00 C ATOM 0 H ILE A 84 1.972 2.478 -9.510 1.00 0.00 H new ATOM 0 HA ILE A 84 1.190 3.777 -11.960 1.00 0.00 H new ATOM 0 HB ILE A 84 0.652 4.612 -9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.274 3.020 -10.759 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.005 2.184 -9.902 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.324 5.707 -10.059 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.187 6.335 -10.756 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.808 5.185 -11.680 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.055 2.223 -8.582 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.774 3.153 -7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.073 4.001 -8.639 1.00 0.00 H new ATOM 1310 N VAL A 85 3.018 5.423 -9.723 1.00 0.00 N ATOM 1311 CA VAL A 85 3.974 6.513 -9.564 1.00 0.00 C ATOM 1312 C VAL A 85 4.872 6.639 -10.790 1.00 0.00 C ATOM 1313 O VAL A 85 5.253 7.741 -11.183 1.00 0.00 O ATOM 1314 CB VAL A 85 4.852 6.310 -8.315 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.933 7.379 -8.244 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.998 6.319 -7.057 1.00 0.00 C ATOM 0 H VAL A 85 2.785 4.937 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 85 3.395 7.429 -9.447 1.00 0.00 H new ATOM 0 HB VAL A 85 5.340 5.338 -8.388 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.544 7.220 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.562 7.320 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.468 8.364 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.635 6.174 -6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.481 7.275 -6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.265 5.514 -7.109 1.00 0.00 H new ATOM 1326 N GLY A 86 5.209 5.501 -11.390 1.00 0.00 N ATOM 1327 CA GLY A 86 6.060 5.507 -12.565 1.00 0.00 C ATOM 1328 C GLY A 86 5.402 6.175 -13.756 1.00 0.00 C ATOM 1329 O GLY A 86 5.997 7.041 -14.396 1.00 0.00 O ATOM 0 H GLY A 86 4.908 4.576 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.991 6.023 -12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.320 4.481 -12.826 1.00 0.00 H new ATOM 1333 N GLU A 87 4.170 5.772 -14.053 1.00 0.00 N ATOM 1334 CA GLU A 87 3.433 6.336 -15.176 1.00 0.00 C ATOM 1335 C GLU A 87 3.041 7.784 -14.898 1.00 0.00 C ATOM 1336 O GLU A 87 3.067 8.630 -15.793 1.00 0.00 O ATOM 1337 CB GLU A 87 2.180 5.504 -15.462 1.00 0.00 C ATOM 1338 CG GLU A 87 1.100 5.647 -14.403 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.242 5.112 -14.863 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -0.333 3.900 -15.148 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -1.203 5.907 -14.938 1.00 0.00 O ATOM 0 H GLU A 87 3.663 5.057 -13.531 1.00 0.00 H new ATOM 0 HA GLU A 87 4.083 6.315 -16.051 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.771 5.799 -16.428 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.462 4.454 -15.542 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.408 5.118 -13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.995 6.698 -14.136 1.00 0.00 H new ATOM 1348 N LEU A 88 2.680 8.063 -13.650 1.00 0.00 N ATOM 1349 CA LEU A 88 2.282 9.410 -13.252 1.00 0.00 C ATOM 1350 C LEU A 88 3.402 10.410 -13.522 1.00 0.00 C ATOM 1351 O LEU A 88 3.166 11.485 -14.071 1.00 0.00 O ATOM 1352 CB LEU A 88 1.908 9.434 -11.768 1.00 0.00 C ATOM 1353 CG LEU A 88 0.867 8.405 -11.323 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.536 8.586 -9.849 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.390 8.515 -12.171 1.00 0.00 C ATOM 0 H LEU A 88 2.655 7.376 -12.897 1.00 0.00 H new ATOM 0 HA LEU A 88 1.413 9.697 -13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.815 9.281 -11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.535 10.428 -11.524 1.00 0.00 H new ATOM 0 HG LEU A 88 1.287 7.409 -11.462 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.206 7.846 -9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.440 8.455 -9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.136 9.587 -9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.119 7.775 -11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.814 9.514 -12.066 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.140 8.335 -13.217 1.00 0.00 H new