USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 490 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 23 SER OG : rot 180:sc= 0.675 USER MOD Set 1.2: B 127 LYS NZ :NH3+ -160:sc= 0.645 (180deg=0.213) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -163:sc= 0.984 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 1.83 K(o=3.6,f=-2.1) USER MOD Set 2.3: B 140 GLN : amide:sc= 0.83 K(o=3.6,f=-2.1) USER MOD Set 3.1: A 28 ASN : amide:sc= 0.786 K(o=1.5,f=-0.023) USER MOD Set 3.2: A 29 GLN : amide:sc= 0.68 K(o=1.5,f=-0.076) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 152:sc= 0.445 (180deg=0) USER MOD Set 4.2: B 123 SER OG : rot 180:sc= 0.576 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.409 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -170:sc= -0.239 (180deg=-0.508) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 30:sc= 0.402 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc=-0.00115 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : B 129 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : B 131 MET CE :methyl -173:sc= 0 (180deg=-0.126) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN : amide:sc= -0.832 K(o=-0.83,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.184 7.938 -2.010 1.00 0.00 N ATOM 165 CA TRP A 14 -13.003 7.473 -2.755 1.00 0.00 C ATOM 166 C TRP A 14 -12.309 6.262 -2.104 1.00 0.00 C ATOM 167 O TRP A 14 -11.751 5.416 -2.805 1.00 0.00 O ATOM 168 CB TRP A 14 -12.008 8.635 -2.916 1.00 0.00 C ATOM 169 CG TRP A 14 -11.256 9.088 -1.692 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.602 10.122 -0.890 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.017 8.552 -1.123 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.683 10.256 0.127 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.684 9.315 0.036 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.123 7.517 -1.472 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.555 9.048 0.829 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -7.988 7.234 -0.687 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.707 7.993 0.462 1.00 0.00 C ATOM 0 HA TRP A 14 -13.352 7.136 -3.731 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.277 8.348 -3.672 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.554 9.492 -3.310 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.470 10.749 -1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -10.737 10.966 0.858 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.313 6.930 -2.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.344 9.644 1.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.328 6.427 -0.970 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.839 7.764 1.062 1.00 0.00 H new ATOM 188 N LYS A 15 -12.376 6.145 -0.770 1.00 0.00 N ATOM 189 CA LYS A 15 -11.690 5.120 0.037 1.00 0.00 C ATOM 190 C LYS A 15 -12.129 3.691 -0.284 1.00 0.00 C ATOM 191 O LYS A 15 -11.285 2.801 -0.352 1.00 0.00 O ATOM 192 CB LYS A 15 -11.907 5.419 1.529 1.00 0.00 C ATOM 193 CG LYS A 15 -11.317 6.771 1.947 1.00 0.00 C ATOM 194 CD LYS A 15 -11.560 7.037 3.435 1.00 0.00 C ATOM 195 CE LYS A 15 -10.982 8.402 3.825 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.262 8.724 5.248 1.00 0.00 N1+ ATOM 0 H LYS A 15 -12.930 6.785 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.631 5.173 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.975 5.409 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.452 4.628 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.247 6.784 1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.766 7.567 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.629 7.011 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.097 6.252 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.905 8.405 3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.408 9.175 3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.858 9.654 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.290 8.745 5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.834 7.999 5.859 1.00 0.00 H new ATOM 210 N ASP A 16 -13.420 3.472 -0.520 1.00 0.00 N ATOM 211 CA ASP A 16 -13.974 2.151 -0.841 1.00 0.00 C ATOM 212 C ASP A 16 -13.506 1.659 -2.222 1.00 0.00 C ATOM 213 O ASP A 16 -13.120 0.500 -2.378 1.00 0.00 O ATOM 214 CB ASP A 16 -15.511 2.177 -0.781 1.00 0.00 C ATOM 215 CG ASP A 16 -16.102 2.452 0.616 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.392 2.312 1.642 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.312 2.785 0.689 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.122 4.212 -0.495 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.602 1.452 -0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.874 2.940 -1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.890 1.219 -1.138 1.00 0.00 H new ATOM 222 N ASP A 17 -13.462 2.557 -3.213 1.00 0.00 N ATOM 223 CA ASP A 17 -12.886 2.274 -4.532 1.00 0.00 C ATOM 224 C ASP A 17 -11.360 2.080 -4.466 1.00 0.00 C ATOM 225 O ASP A 17 -10.815 1.239 -5.187 1.00 0.00 O ATOM 226 CB ASP A 17 -13.240 3.389 -5.527 1.00 0.00 C ATOM 227 CG ASP A 17 -14.744 3.530 -5.828 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.145 4.611 -6.322 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.531 2.570 -5.629 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.827 3.505 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.321 1.337 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.871 4.337 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.712 3.204 -6.462 1.00 0.00 H new ATOM 234 N TYR A 18 -10.665 2.800 -3.577 1.00 0.00 N ATOM 235 CA TYR A 18 -9.222 2.652 -3.381 1.00 0.00 C ATOM 236 C TYR A 18 -8.862 1.289 -2.766 1.00 0.00 C ATOM 237 O TYR A 18 -7.971 0.607 -3.266 1.00 0.00 O ATOM 238 CB TYR A 18 -8.664 3.838 -2.578 1.00 0.00 C ATOM 239 CG TYR A 18 -7.221 4.149 -2.921 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.167 3.863 -2.030 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.933 4.730 -4.178 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.836 4.130 -2.404 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.602 4.986 -4.558 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.549 4.668 -3.675 1.00 0.00 C ATOM 245 OH TYR A 18 -3.259 4.873 -4.050 1.00 0.00 O ATOM 0 H TYR A 18 -11.091 3.503 -2.973 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.740 2.669 -4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.276 4.720 -2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.741 3.619 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.380 3.439 -1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.740 4.979 -4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.032 3.922 -1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.388 5.424 -5.522 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.237 5.248 -4.955 1.00 0.00 H new ATOM 255 N LEU A 19 -9.611 0.812 -1.763 1.00 0.00 N ATOM 256 CA LEU A 19 -9.487 -0.564 -1.255 1.00 0.00 C ATOM 257 C LEU A 19 -9.791 -1.607 -2.349 1.00 0.00 C ATOM 258 O LEU A 19 -9.042 -2.579 -2.492 1.00 0.00 O ATOM 259 CB LEU A 19 -10.399 -0.755 -0.025 1.00 0.00 C ATOM 260 CG LEU A 19 -9.659 -0.624 1.318 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.968 0.725 1.505 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.622 -0.835 2.488 1.00 0.00 C ATOM 0 H LEU A 19 -10.319 1.366 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.453 -0.723 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.202 -0.019 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.866 -1.739 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.890 -1.396 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.467 0.746 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.233 0.870 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.710 1.523 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.079 -0.738 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.413 -0.087 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.061 -1.831 2.423 1.00 0.00 H new ATOM 274 N SER A 20 -10.831 -1.392 -3.160 1.00 0.00 N ATOM 275 CA SER A 20 -11.176 -2.313 -4.253 1.00 0.00 C ATOM 276 C SER A 20 -10.053 -2.456 -5.284 1.00 0.00 C ATOM 277 O SER A 20 -9.720 -3.582 -5.659 1.00 0.00 O ATOM 278 CB SER A 20 -12.485 -1.881 -4.927 1.00 0.00 C ATOM 279 OG SER A 20 -12.844 -2.801 -5.949 1.00 0.00 O ATOM 0 H SER A 20 -11.452 -0.586 -3.082 1.00 0.00 H new ATOM 0 HA SER A 20 -11.315 -3.298 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.281 -1.823 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.371 -0.883 -5.351 1.00 0.00 H new ATOM 0 HG SER A 20 -13.682 -2.513 -6.369 1.00 0.00 H new ATOM 285 N ARG A 21 -9.419 -1.351 -5.709 1.00 0.00 N ATOM 286 CA ARG A 21 -8.306 -1.385 -6.682 1.00 0.00 C ATOM 287 C ARG A 21 -6.995 -1.916 -6.084 1.00 0.00 C ATOM 288 O ARG A 21 -6.300 -2.681 -6.745 1.00 0.00 O ATOM 289 CB ARG A 21 -8.142 -0.024 -7.393 1.00 0.00 C ATOM 290 CG ARG A 21 -7.462 1.064 -6.555 1.00 0.00 C ATOM 291 CD ARG A 21 -7.375 2.408 -7.288 1.00 0.00 C ATOM 292 NE ARG A 21 -6.361 2.395 -8.364 1.00 0.00 N ATOM 293 CZ ARG A 21 -5.055 2.568 -8.237 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.488 2.792 -7.084 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -4.279 2.511 -9.279 1.00 0.00 N ATOM 0 H ARG A 21 -9.659 -0.412 -5.392 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.576 -2.113 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.564 -0.174 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.127 0.333 -7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.013 1.198 -5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.458 0.736 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.349 2.652 -7.712 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.133 3.194 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.707 2.235 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.055 2.839 -6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.478 2.920 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.676 2.332 -10.201 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.273 2.645 -9.174 1.00 0.00 H new ATOM 309 N LEU A 22 -6.688 -1.595 -4.824 1.00 0.00 N ATOM 310 CA LEU A 22 -5.478 -2.067 -4.119 1.00 0.00 C ATOM 311 C LEU A 22 -5.423 -3.598 -3.972 1.00 0.00 C ATOM 312 O LEU A 22 -4.344 -4.186 -4.056 1.00 0.00 O ATOM 313 CB LEU A 22 -5.378 -1.389 -2.735 1.00 0.00 C ATOM 314 CG LEU A 22 -4.528 -0.104 -2.660 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.663 0.877 -3.830 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.901 0.642 -1.376 1.00 0.00 C ATOM 0 H LEU A 22 -7.277 -0.991 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.622 -1.785 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.387 -1.151 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.968 -2.112 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.494 -0.448 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.017 1.738 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.371 0.382 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.698 1.210 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.311 1.556 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.961 0.895 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.697 0.007 -0.514 1.00 0.00 H new ATOM 328 N SER A 23 -6.572 -4.266 -3.812 1.00 0.00 N ATOM 329 CA SER A 23 -6.666 -5.735 -3.770 1.00 0.00 C ATOM 330 C SER A 23 -6.207 -6.418 -5.074 1.00 0.00 C ATOM 331 O SER A 23 -5.807 -7.586 -5.057 1.00 0.00 O ATOM 332 CB SER A 23 -8.111 -6.135 -3.436 1.00 0.00 C ATOM 333 OG SER A 23 -8.226 -7.531 -3.202 1.00 0.00 O ATOM 0 H SER A 23 -7.473 -3.800 -3.707 1.00 0.00 H new ATOM 0 HA SER A 23 -5.983 -6.082 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.446 -5.589 -2.554 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.768 -5.848 -4.257 1.00 0.00 H new ATOM 0 HG SER A 23 -9.157 -7.752 -2.991 1.00 0.00 H new ATOM 339 N ARG A 24 -6.239 -5.718 -6.221 1.00 0.00 N ATOM 340 CA ARG A 24 -5.918 -6.284 -7.557 1.00 0.00 C ATOM 341 C ARG A 24 -4.412 -6.427 -7.823 1.00 0.00 C ATOM 342 O ARG A 24 -4.003 -7.215 -8.678 1.00 0.00 O ATOM 343 CB ARG A 24 -6.574 -5.436 -8.666 1.00 0.00 C ATOM 344 CG ARG A 24 -8.025 -5.004 -8.406 1.00 0.00 C ATOM 345 CD ARG A 24 -8.960 -6.130 -7.962 1.00 0.00 C ATOM 346 NE ARG A 24 -10.281 -5.581 -7.602 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.483 -5.980 -7.968 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.680 -6.998 -8.756 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.531 -5.348 -7.529 1.00 0.00 N ATOM 0 H ARG A 24 -6.491 -4.730 -6.254 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.327 -7.294 -7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.970 -4.541 -8.819 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.545 -6.003 -9.596 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.026 -4.227 -7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.425 -4.557 -9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.068 -6.861 -8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.531 -6.654 -7.108 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.262 -4.774 -6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.885 -7.524 -9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.630 -7.269 -9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.420 -4.549 -6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.464 -5.652 -7.808 1.00 0.00 H new ATOM 363 N LEU A 25 -3.600 -5.657 -7.103 1.00 0.00 N ATOM 364 CA LEU A 25 -2.130 -5.611 -7.214 1.00 0.00 C ATOM 365 C LEU A 25 -1.489 -6.932 -6.720 1.00 0.00 C ATOM 366 O LEU A 25 -1.840 -7.438 -5.648 1.00 0.00 O ATOM 367 CB LEU A 25 -1.565 -4.421 -6.401 1.00 0.00 C ATOM 368 CG LEU A 25 -1.723 -2.977 -6.938 1.00 0.00 C ATOM 369 CD1 LEU A 25 -0.802 -2.684 -8.120 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.150 -2.616 -7.342 1.00 0.00 C ATOM 0 H LEU A 25 -3.956 -5.017 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.880 -5.479 -8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.027 -4.453 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.499 -4.601 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.441 -2.357 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.955 -1.658 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.236 -2.814 -7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.028 -3.370 -8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.176 -1.589 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.487 -3.290 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.808 -2.711 -6.478 1.00 0.00 H new ATOM 382 N SER A 26 -0.506 -7.452 -7.460 1.00 0.00 N ATOM 383 CA SER A 26 0.359 -8.579 -7.055 1.00 0.00 C ATOM 384 C SER A 26 1.367 -8.166 -5.964 1.00 0.00 C ATOM 385 O SER A 26 1.552 -6.974 -5.710 1.00 0.00 O ATOM 386 CB SER A 26 1.117 -9.133 -8.271 1.00 0.00 C ATOM 387 OG SER A 26 0.226 -9.454 -9.332 1.00 0.00 O ATOM 0 H SER A 26 -0.278 -7.094 -8.387 1.00 0.00 H new ATOM 0 HA SER A 26 -0.289 -9.352 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.845 -8.398 -8.614 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.675 -10.023 -7.980 1.00 0.00 H new ATOM 0 HG SER A 26 0.736 -9.803 -10.093 1.00 0.00 H new ATOM 393 N LYS A 27 2.059 -9.123 -5.324 1.00 0.00 N ATOM 394 CA LYS A 27 2.949 -8.886 -4.161 1.00 0.00 C ATOM 395 C LYS A 27 4.060 -7.858 -4.415 1.00 0.00 C ATOM 396 O LYS A 27 4.317 -7.007 -3.569 1.00 0.00 O ATOM 397 CB LYS A 27 3.526 -10.231 -3.678 1.00 0.00 C ATOM 398 CG LYS A 27 4.363 -10.139 -2.384 1.00 0.00 C ATOM 399 CD LYS A 27 3.546 -9.708 -1.152 1.00 0.00 C ATOM 400 CE LYS A 27 4.404 -9.530 0.108 1.00 0.00 C ATOM 401 NZ LYS A 27 5.019 -10.796 0.580 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.019 -10.104 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 27 2.336 -8.440 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.704 -10.928 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.148 -10.651 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.819 -11.109 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.176 -9.430 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.036 -8.770 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.774 -10.453 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.192 -8.805 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.787 -9.114 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.905 -10.585 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.363 -11.282 1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.221 -11.409 -0.236 1.00 0.00 H new ATOM 415 N ASN A 28 4.694 -7.889 -5.590 1.00 0.00 N ATOM 416 CA ASN A 28 5.690 -6.890 -5.986 1.00 0.00 C ATOM 417 C ASN A 28 5.060 -5.508 -6.258 1.00 0.00 C ATOM 418 O ASN A 28 5.626 -4.469 -5.917 1.00 0.00 O ATOM 419 CB ASN A 28 6.427 -7.426 -7.227 1.00 0.00 C ATOM 420 CG ASN A 28 7.607 -6.549 -7.610 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.641 -6.546 -6.953 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.506 -5.783 -8.675 1.00 0.00 N ATOM 0 H ASN A 28 4.531 -8.608 -6.294 1.00 0.00 H new ATOM 0 HA ASN A 28 6.392 -6.735 -5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.777 -8.440 -7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.732 -7.485 -8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.287 -5.189 -8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.646 -5.784 -9.224 1.00 0.00 H new ATOM 429 N GLN A 29 3.870 -5.509 -6.860 1.00 0.00 N ATOM 430 CA GLN A 29 3.179 -4.316 -7.350 1.00 0.00 C ATOM 431 C GLN A 29 2.527 -3.495 -6.222 1.00 0.00 C ATOM 432 O GLN A 29 2.596 -2.266 -6.247 1.00 0.00 O ATOM 433 CB GLN A 29 2.153 -4.725 -8.425 1.00 0.00 C ATOM 434 CG GLN A 29 2.734 -5.576 -9.568 1.00 0.00 C ATOM 435 CD GLN A 29 3.919 -4.904 -10.255 1.00 0.00 C ATOM 436 OE1 GLN A 29 5.052 -5.363 -10.186 1.00 0.00 O ATOM 437 NE2 GLN A 29 3.718 -3.767 -10.888 1.00 0.00 N ATOM 0 H GLN A 29 3.344 -6.367 -7.025 1.00 0.00 H new ATOM 0 HA GLN A 29 3.923 -3.656 -7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.347 -5.282 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.710 -3.824 -8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.048 -6.542 -9.173 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.954 -5.770 -10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.777 -3.377 -10.950 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.503 -3.276 -11.316 1.00 0.00 H new ATOM 446 N LEU A 30 1.949 -4.148 -5.204 1.00 0.00 N ATOM 447 CA LEU A 30 1.409 -3.465 -4.015 1.00 0.00 C ATOM 448 C LEU A 30 2.522 -2.764 -3.212 1.00 0.00 C ATOM 449 O LEU A 30 2.305 -1.672 -2.685 1.00 0.00 O ATOM 450 CB LEU A 30 0.564 -4.441 -3.159 1.00 0.00 C ATOM 451 CG LEU A 30 1.300 -5.624 -2.498 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.857 -5.314 -1.102 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.349 -6.815 -2.353 1.00 0.00 C ATOM 0 H LEU A 30 1.842 -5.162 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 30 0.736 -2.674 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.078 -3.865 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.226 -4.846 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 30 2.141 -5.843 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.359 -6.197 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.568 -4.491 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.039 -5.034 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.876 -7.647 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.500 -6.529 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.007 -7.119 -3.338 1.00 0.00 H new ATOM 465 N MET A 31 3.726 -3.347 -3.168 1.00 0.00 N ATOM 466 CA MET A 31 4.878 -2.729 -2.512 1.00 0.00 C ATOM 467 C MET A 31 5.460 -1.577 -3.328 1.00 0.00 C ATOM 468 O MET A 31 5.777 -0.538 -2.752 1.00 0.00 O ATOM 469 CB MET A 31 5.945 -3.776 -2.180 1.00 0.00 C ATOM 470 CG MET A 31 5.458 -4.719 -1.080 1.00 0.00 C ATOM 471 SD MET A 31 6.753 -5.725 -0.306 1.00 0.00 S ATOM 472 CE MET A 31 6.896 -7.039 -1.534 1.00 0.00 C ATOM 0 H MET A 31 3.926 -4.256 -3.585 1.00 0.00 H new ATOM 0 HA MET A 31 4.523 -2.299 -1.575 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.189 -4.349 -3.075 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.861 -3.279 -1.860 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.967 -4.128 -0.307 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.704 -5.385 -1.500 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.520 -7.841 -1.138 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.905 -7.430 -1.765 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.350 -6.641 -2.442 1.00 0.00 H new ATOM 482 N ALA A 32 5.525 -1.697 -4.658 1.00 0.00 N ATOM 483 CA ALA A 32 5.901 -0.592 -5.537 1.00 0.00 C ATOM 484 C ALA A 32 4.924 0.593 -5.413 1.00 0.00 C ATOM 485 O ALA A 32 5.360 1.742 -5.313 1.00 0.00 O ATOM 486 CB ALA A 32 5.984 -1.121 -6.976 1.00 0.00 C ATOM 0 H ALA A 32 5.318 -2.565 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 32 6.876 -0.206 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.264 -0.309 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.733 -1.911 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.014 -1.519 -7.274 1.00 0.00 H new ATOM 492 N LEU A 33 3.613 0.321 -5.348 1.00 0.00 N ATOM 493 CA LEU A 33 2.562 1.320 -5.137 1.00 0.00 C ATOM 494 C LEU A 33 2.707 2.019 -3.774 1.00 0.00 C ATOM 495 O LEU A 33 2.786 3.248 -3.714 1.00 0.00 O ATOM 496 CB LEU A 33 1.196 0.616 -5.336 1.00 0.00 C ATOM 497 CG LEU A 33 -0.099 1.451 -5.242 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.494 1.845 -3.820 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.053 2.702 -6.122 1.00 0.00 C ATOM 0 H LEU A 33 3.247 -0.626 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 33 2.645 2.128 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.211 0.142 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.127 -0.182 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.870 0.776 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.414 2.429 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.652 0.946 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.302 2.441 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.987 3.254 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.778 3.335 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.083 2.410 -7.163 1.00 0.00 H new ATOM 511 N ALA A 34 2.804 1.261 -2.681 1.00 0.00 N ATOM 512 CA ALA A 34 2.961 1.815 -1.332 1.00 0.00 C ATOM 513 C ALA A 34 4.271 2.611 -1.163 1.00 0.00 C ATOM 514 O ALA A 34 4.261 3.669 -0.533 1.00 0.00 O ATOM 515 CB ALA A 34 2.841 0.676 -0.315 1.00 0.00 C ATOM 0 H ALA A 34 2.776 0.242 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 34 2.166 2.540 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.956 1.075 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.862 0.205 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.619 -0.064 -0.504 1.00 0.00 H new ATOM 521 N LEU A 35 5.381 2.173 -1.765 1.00 0.00 N ATOM 522 CA LEU A 35 6.662 2.891 -1.759 1.00 0.00 C ATOM 523 C LEU A 35 6.574 4.203 -2.560 1.00 0.00 C ATOM 524 O LEU A 35 7.056 5.237 -2.091 1.00 0.00 O ATOM 525 CB LEU A 35 7.754 1.927 -2.266 1.00 0.00 C ATOM 526 CG LEU A 35 9.234 2.308 -2.081 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.703 3.510 -2.897 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.567 2.543 -0.606 1.00 0.00 C ATOM 0 H LEU A 35 5.416 1.293 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 35 6.925 3.201 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.598 0.967 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.586 1.771 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 35 9.777 1.445 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.758 3.697 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.566 3.305 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.120 4.388 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.619 2.810 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.949 3.353 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.370 1.633 -0.039 1.00 0.00 H new ATOM 540 N LYS A 36 5.899 4.209 -3.717 1.00 0.00 N ATOM 541 CA LYS A 36 5.615 5.427 -4.504 1.00 0.00 C ATOM 542 C LYS A 36 4.795 6.445 -3.698 1.00 0.00 C ATOM 543 O LYS A 36 5.168 7.617 -3.628 1.00 0.00 O ATOM 544 CB LYS A 36 4.906 5.022 -5.806 1.00 0.00 C ATOM 545 CG LYS A 36 4.768 6.198 -6.787 1.00 0.00 C ATOM 546 CD LYS A 36 4.093 5.715 -8.083 1.00 0.00 C ATOM 547 CE LYS A 36 3.894 6.840 -9.110 1.00 0.00 C ATOM 548 NZ LYS A 36 5.183 7.288 -9.698 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.528 3.359 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 36 6.554 5.924 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.463 4.216 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.916 4.630 -5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.179 6.995 -6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.750 6.615 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.698 4.926 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.125 5.276 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.233 6.493 -9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.400 7.685 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.005 8.048 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.804 7.643 -8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.643 6.488 -10.177 1.00 0.00 H new ATOM 562 N LEU A 37 3.744 5.993 -3.012 1.00 0.00 N ATOM 563 CA LEU A 37 2.976 6.801 -2.055 1.00 0.00 C ATOM 564 C LEU A 37 3.842 7.318 -0.891 1.00 0.00 C ATOM 565 O LEU A 37 3.652 8.458 -0.464 1.00 0.00 O ATOM 566 CB LEU A 37 1.799 5.968 -1.508 1.00 0.00 C ATOM 567 CG LEU A 37 0.452 6.176 -2.222 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.484 5.884 -3.720 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.577 5.257 -1.563 1.00 0.00 C ATOM 0 H LEU A 37 3.394 5.039 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 37 2.603 7.676 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.064 4.913 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.670 6.203 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 37 0.198 7.231 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.505 6.055 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.206 6.542 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.774 4.846 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.544 5.384 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.255 4.220 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.667 5.510 -0.507 1.00 0.00 H new ATOM 581 N LYS A 38 4.796 6.521 -0.391 1.00 0.00 N ATOM 582 CA LYS A 38 5.675 6.918 0.723 1.00 0.00 C ATOM 583 C LYS A 38 6.653 8.024 0.319 1.00 0.00 C ATOM 584 O LYS A 38 6.718 9.047 0.996 1.00 0.00 O ATOM 585 CB LYS A 38 6.388 5.693 1.326 1.00 0.00 C ATOM 586 CG LYS A 38 7.078 5.996 2.671 1.00 0.00 C ATOM 587 CD LYS A 38 6.083 6.484 3.744 1.00 0.00 C ATOM 588 CE LYS A 38 6.716 6.585 5.132 1.00 0.00 C ATOM 589 NZ LYS A 38 5.707 6.997 6.141 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.982 5.583 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 38 5.046 7.344 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.663 4.892 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.131 5.327 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.582 5.098 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.846 6.754 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.693 7.460 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.235 5.801 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.146 5.623 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.533 7.306 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.191 7.336 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.117 7.760 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.106 6.184 6.383 1.00 0.00 H new ATOM 603 N GLN A 39 7.371 7.868 -0.792 1.00 0.00 N ATOM 604 CA GLN A 39 8.285 8.913 -1.273 1.00 0.00 C ATOM 605 C GLN A 39 7.537 10.207 -1.657 1.00 0.00 C ATOM 606 O GLN A 39 8.056 11.299 -1.435 1.00 0.00 O ATOM 607 CB GLN A 39 9.200 8.380 -2.396 1.00 0.00 C ATOM 608 CG GLN A 39 8.482 8.076 -3.716 1.00 0.00 C ATOM 609 CD GLN A 39 9.445 7.620 -4.806 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.836 8.376 -5.687 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.871 6.372 -4.801 1.00 0.00 N ATOM 0 H GLN A 39 7.341 7.033 -1.377 1.00 0.00 H new ATOM 0 HA GLN A 39 8.939 9.191 -0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.985 9.112 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.690 7.471 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.732 7.302 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.952 8.967 -4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.556 5.728 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.516 6.050 -5.523 1.00 0.00 H new ATOM 620 N GLN A 40 6.287 10.118 -2.134 1.00 0.00 N ATOM 621 CA GLN A 40 5.428 11.281 -2.390 1.00 0.00 C ATOM 622 C GLN A 40 5.132 12.108 -1.126 1.00 0.00 C ATOM 623 O GLN A 40 5.252 13.333 -1.174 1.00 0.00 O ATOM 624 CB GLN A 40 4.111 10.823 -3.036 1.00 0.00 C ATOM 625 CG GLN A 40 4.239 10.553 -4.541 1.00 0.00 C ATOM 626 CD GLN A 40 3.021 9.854 -5.142 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.083 9.439 -4.472 1.00 0.00 O ATOM 628 NE2 GLN A 40 2.978 9.701 -6.450 1.00 0.00 N ATOM 0 H GLN A 40 5.841 9.228 -2.355 1.00 0.00 H new ATOM 0 HA GLN A 40 5.976 11.934 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.766 9.917 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.349 11.586 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.397 11.499 -5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.123 9.941 -4.718 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.747 10.038 -7.029 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.175 9.245 -6.884 1.00 0.00 H new ATOM 637 N GLN A 41 4.749 11.487 -0.003 1.00 0.00 N ATOM 638 CA GLN A 41 4.499 12.215 1.259 1.00 0.00 C ATOM 639 C GLN A 41 5.788 12.720 1.950 1.00 0.00 C ATOM 640 O GLN A 41 5.725 13.651 2.757 1.00 0.00 O ATOM 641 CB GLN A 41 3.619 11.375 2.202 1.00 0.00 C ATOM 642 CG GLN A 41 4.279 10.094 2.739 1.00 0.00 C ATOM 643 CD GLN A 41 3.534 9.462 3.915 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.127 9.079 4.915 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.230 9.310 3.846 1.00 0.00 N ATOM 0 H GLN A 41 4.604 10.480 0.063 1.00 0.00 H new ATOM 0 HA GLN A 41 3.951 13.120 0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.324 11.996 3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.706 11.101 1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.348 9.366 1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.299 10.324 3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.723 9.625 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.725 8.878 4.620 1.00 0.00 H new ATOM 901 N LYS B 115 14.450 2.506 1.321 1.00 0.00 N ATOM 902 CA LYS B 115 13.397 1.903 0.483 1.00 0.00 C ATOM 903 C LYS B 115 13.398 0.376 0.557 1.00 0.00 C ATOM 904 O LYS B 115 12.329 -0.227 0.578 1.00 0.00 O ATOM 905 CB LYS B 115 13.566 2.379 -0.978 1.00 0.00 C ATOM 906 CG LYS B 115 13.388 3.901 -1.107 1.00 0.00 C ATOM 907 CD LYS B 115 13.771 4.406 -2.500 1.00 0.00 C ATOM 908 CE LYS B 115 13.497 5.912 -2.580 1.00 0.00 C ATOM 909 NZ LYS B 115 14.068 6.517 -3.814 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.432 2.233 0.868 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.555 2.097 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.838 1.873 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.351 4.164 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.001 4.403 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.824 4.204 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.198 3.878 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.421 6.087 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS B 115 13.921 6.405 -1.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.860 7.536 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.098 6.373 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.645 6.065 -4.650 1.00 0.00 H new ATOM 923 N ASP B 116 14.572 -0.244 0.662 1.00 0.00 N ATOM 924 CA ASP B 116 14.723 -1.696 0.836 1.00 0.00 C ATOM 925 C ASP B 116 14.185 -2.166 2.195 1.00 0.00 C ATOM 926 O ASP B 116 13.486 -3.180 2.275 1.00 0.00 O ATOM 927 CB ASP B 116 16.200 -2.102 0.678 1.00 0.00 C ATOM 928 CG ASP B 116 16.807 -1.827 -0.710 1.00 0.00 C ATOM 929 OD1 ASP B 116 16.066 -1.672 -1.712 1.00 0.00 O ATOM 930 OD2 ASP B 116 18.060 -1.801 -0.810 1.00 0.00 O1- ATOM 0 H ASP B 116 15.462 0.252 0.629 1.00 0.00 H new ATOM 0 HA ASP B 116 14.132 -2.184 0.061 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.789 -1.572 1.427 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.293 -3.166 0.894 1.00 0.00 H new ATOM 935 N ASP B 117 14.444 -1.406 3.267 1.00 0.00 N ATOM 936 CA ASP B 117 13.868 -1.650 4.599 1.00 0.00 C ATOM 937 C ASP B 117 12.343 -1.427 4.624 1.00 0.00 C ATOM 938 O ASP B 117 11.611 -2.171 5.275 1.00 0.00 O ATOM 939 CB ASP B 117 14.570 -0.742 5.620 1.00 0.00 C ATOM 940 CG ASP B 117 14.169 -1.052 7.074 1.00 0.00 C ATOM 941 OD1 ASP B 117 13.970 -0.091 7.856 1.00 0.00 O ATOM 942 OD2 ASP B 117 14.101 -2.247 7.458 1.00 0.00 O1- ATOM 0 H ASP B 117 15.064 -0.597 3.235 1.00 0.00 H new ATOM 0 HA ASP B 117 14.031 -2.696 4.859 1.00 0.00 H new ATOM 0 HB2 ASP B 117 15.649 -0.852 5.515 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.333 0.298 5.397 1.00 0.00 H new ATOM 947 N TYR B 118 11.839 -0.454 3.856 1.00 0.00 N ATOM 948 CA TYR B 118 10.402 -0.201 3.742 1.00 0.00 C ATOM 949 C TYR B 118 9.676 -1.332 2.993 1.00 0.00 C ATOM 950 O TYR B 118 8.651 -1.829 3.463 1.00 0.00 O ATOM 951 CB TYR B 118 10.158 1.176 3.107 1.00 0.00 C ATOM 952 CG TYR B 118 8.858 1.813 3.558 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.811 2.424 4.827 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.705 1.767 2.755 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.606 2.967 5.308 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.496 2.315 3.230 1.00 0.00 C ATOM 957 CZ TYR B 118 6.442 2.892 4.519 1.00 0.00 C ATOM 958 OH TYR B 118 5.270 3.349 5.041 1.00 0.00 O ATOM 0 H TYR B 118 12.415 0.177 3.299 1.00 0.00 H new ATOM 0 HA TYR B 118 9.974 -0.187 4.744 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.987 1.838 3.358 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.149 1.073 2.022 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.704 2.476 5.433 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.745 1.313 1.776 1.00 0.00 H new ATOM 0 HE1 TYR B 118 7.574 3.440 6.279 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.612 2.294 2.610 1.00 0.00 H new ATOM 0 HH TYR B 118 5.455 4.073 5.675 1.00 0.00 H new ATOM 968 N LEU B 119 10.241 -1.849 1.899 1.00 0.00 N ATOM 969 CA LEU B 119 9.750 -3.066 1.233 1.00 0.00 C ATOM 970 C LEU B 119 9.806 -4.290 2.168 1.00 0.00 C ATOM 971 O LEU B 119 8.857 -5.072 2.212 1.00 0.00 O ATOM 972 CB LEU B 119 10.566 -3.313 -0.050 1.00 0.00 C ATOM 973 CG LEU B 119 9.884 -2.797 -1.330 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.485 -1.320 -1.285 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.814 -3.000 -2.526 1.00 0.00 C ATOM 0 H LEU B 119 11.056 -1.436 1.445 1.00 0.00 H new ATOM 0 HA LEU B 119 8.703 -2.918 0.970 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.539 -2.832 0.051 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.749 -4.383 -0.153 1.00 0.00 H new ATOM 0 HG LEU B 119 8.964 -3.375 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.012 -1.042 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.785 -1.157 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.373 -0.708 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.329 -2.634 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.741 -2.450 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.037 -4.061 -2.638 1.00 0.00 H new ATOM 987 N SER B 120 10.874 -4.435 2.963 1.00 0.00 N ATOM 988 CA SER B 120 11.027 -5.537 3.921 1.00 0.00 C ATOM 989 C SER B 120 9.903 -5.567 4.966 1.00 0.00 C ATOM 990 O SER B 120 9.326 -6.634 5.202 1.00 0.00 O ATOM 991 CB SER B 120 12.410 -5.469 4.590 1.00 0.00 C ATOM 992 OG SER B 120 12.615 -6.584 5.447 1.00 0.00 O ATOM 0 H SER B 120 11.661 -3.786 2.959 1.00 0.00 H new ATOM 0 HA SER B 120 10.951 -6.470 3.363 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.187 -5.445 3.826 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.497 -4.545 5.162 1.00 0.00 H new ATOM 0 HG SER B 120 13.501 -6.520 5.860 1.00 0.00 H new ATOM 998 N ARG B 121 9.516 -4.411 5.538 1.00 0.00 N ATOM 999 CA ARG B 121 8.401 -4.328 6.504 1.00 0.00 C ATOM 1000 C ARG B 121 7.024 -4.503 5.844 1.00 0.00 C ATOM 1001 O ARG B 121 6.167 -5.187 6.404 1.00 0.00 O ATOM 1002 CB ARG B 121 8.512 -3.064 7.386 1.00 0.00 C ATOM 1003 CG ARG B 121 7.798 -1.815 6.843 1.00 0.00 C ATOM 1004 CD ARG B 121 8.027 -0.580 7.717 1.00 0.00 C ATOM 1005 NE ARG B 121 7.070 0.497 7.373 1.00 0.00 N ATOM 1006 CZ ARG B 121 5.936 0.780 7.992 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.533 0.124 9.041 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 5.166 1.738 7.566 1.00 0.00 N ATOM 0 H ARG B 121 9.963 -3.514 5.346 1.00 0.00 H new ATOM 0 HA ARG B 121 8.492 -5.180 7.178 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.107 -3.293 8.372 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.567 -2.828 7.522 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.150 -1.610 5.832 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.728 -2.014 6.774 1.00 0.00 H new ATOM 0 HD2 ARG B 121 7.917 -0.848 8.768 1.00 0.00 H new ATOM 0 HD3 ARG B 121 9.048 -0.221 7.585 1.00 0.00 H new ATOM 0 HE ARG B 121 7.311 1.083 6.574 1.00 0.00 H new ATOM 0 HH11 ARG B 121 6.098 -0.639 9.414 1.00 0.00 H new ATOM 0 HH12 ARG B 121 4.652 0.373 9.491 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.434 2.281 6.745 1.00 0.00 H new ATOM 0 HH22 ARG B 121 4.294 1.946 8.053 1.00 0.00 H new ATOM 1022 N LEU B 122 6.811 -3.943 4.647 1.00 0.00 N ATOM 1023 CA LEU B 122 5.549 -4.037 3.896 1.00 0.00 C ATOM 1024 C LEU B 122 5.213 -5.486 3.495 1.00 0.00 C ATOM 1025 O LEU B 122 4.056 -5.892 3.576 1.00 0.00 O ATOM 1026 CB LEU B 122 5.629 -3.145 2.642 1.00 0.00 C ATOM 1027 CG LEU B 122 5.047 -1.726 2.795 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.410 -0.981 4.084 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.519 -0.892 1.600 1.00 0.00 C ATOM 0 H LEU B 122 7.525 -3.400 4.162 1.00 0.00 H new ATOM 0 HA LEU B 122 4.748 -3.692 4.549 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.674 -3.059 2.345 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.106 -3.647 1.827 1.00 0.00 H new ATOM 0 HG LEU B 122 3.966 -1.855 2.840 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.944 0.004 4.078 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.052 -1.547 4.944 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.492 -0.870 4.148 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.121 0.119 1.682 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.608 -0.854 1.591 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.164 -1.347 0.676 1.00 0.00 H new ATOM 1041 N SER B 123 6.225 -6.274 3.118 1.00 0.00 N ATOM 1042 CA SER B 123 6.086 -7.688 2.745 1.00 0.00 C ATOM 1043 C SER B 123 5.452 -8.576 3.838 1.00 0.00 C ATOM 1044 O SER B 123 4.877 -9.620 3.521 1.00 0.00 O ATOM 1045 CB SER B 123 7.468 -8.227 2.356 1.00 0.00 C ATOM 1046 OG SER B 123 7.381 -9.542 1.835 1.00 0.00 O ATOM 0 H SER B 123 7.187 -5.940 3.062 1.00 0.00 H new ATOM 0 HA SER B 123 5.392 -7.731 1.906 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.921 -7.569 1.614 1.00 0.00 H new ATOM 0 HB3 SER B 123 8.121 -8.222 3.229 1.00 0.00 H new ATOM 0 HG SER B 123 8.277 -9.858 1.594 1.00 0.00 H new ATOM 1052 N ARG B 124 5.519 -8.168 5.119 1.00 0.00 N ATOM 1053 CA ARG B 124 5.005 -8.935 6.271 1.00 0.00 C ATOM 1054 C ARG B 124 3.475 -8.913 6.420 1.00 0.00 C ATOM 1055 O ARG B 124 2.925 -9.788 7.090 1.00 0.00 O ATOM 1056 CB ARG B 124 5.651 -8.410 7.571 1.00 0.00 C ATOM 1057 CG ARG B 124 7.190 -8.352 7.571 1.00 0.00 C ATOM 1058 CD ARG B 124 7.904 -9.649 7.150 1.00 0.00 C ATOM 1059 NE ARG B 124 7.592 -10.771 8.060 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.968 -12.030 7.918 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.694 -12.430 6.911 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.609 -12.930 8.788 1.00 0.00 N ATOM 0 H ARG B 124 5.940 -7.279 5.388 1.00 0.00 H new ATOM 0 HA ARG B 124 5.277 -9.974 6.082 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.267 -7.409 7.768 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.329 -9.043 8.398 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.506 -7.551 6.902 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.526 -8.082 8.572 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.609 -9.913 6.134 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.981 -9.482 7.136 1.00 0.00 H new ATOM 0 HE ARG B 124 7.029 -10.551 8.882 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.991 -11.762 6.199 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.965 -13.410 6.835 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.033 -12.666 9.587 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.904 -13.899 8.670 1.00 0.00 H new ATOM 1076 N LEU B 125 2.785 -7.929 5.839 1.00 0.00 N ATOM 1077 CA LEU B 125 1.339 -7.730 6.020 1.00 0.00 C ATOM 1078 C LEU B 125 0.473 -8.682 5.167 1.00 0.00 C ATOM 1079 O LEU B 125 0.799 -8.995 4.018 1.00 0.00 O ATOM 1080 CB LEU B 125 0.953 -6.261 5.740 1.00 0.00 C ATOM 1081 CG LEU B 125 1.374 -5.187 6.768 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.280 -5.643 8.228 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.779 -4.654 6.512 1.00 0.00 C ATOM 0 H LEU B 125 3.215 -7.239 5.223 1.00 0.00 H new ATOM 0 HA LEU B 125 1.129 -7.972 7.062 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.378 -5.983 4.775 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.131 -6.216 5.636 1.00 0.00 H new ATOM 0 HG LEU B 125 0.645 -4.390 6.620 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.593 -4.831 8.884 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.251 -5.919 8.458 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.929 -6.505 8.383 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.025 -3.903 7.262 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.495 -5.474 6.570 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.822 -4.204 5.520 1.00 0.00 H new ATOM 1095 N SER B 126 -0.661 -9.097 5.741 1.00 0.00 N ATOM 1096 CA SER B 126 -1.792 -9.734 5.038 1.00 0.00 C ATOM 1097 C SER B 126 -2.635 -8.700 4.273 1.00 0.00 C ATOM 1098 O SER B 126 -2.454 -7.488 4.438 1.00 0.00 O ATOM 1099 CB SER B 126 -2.637 -10.525 6.051 1.00 0.00 C ATOM 1100 OG SER B 126 -3.658 -11.274 5.410 1.00 0.00 O ATOM 0 H SER B 126 -0.828 -8.998 6.742 1.00 0.00 H new ATOM 0 HA SER B 126 -1.403 -10.426 4.290 1.00 0.00 H new ATOM 0 HB2 SER B 126 -1.992 -11.198 6.616 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.086 -9.837 6.767 1.00 0.00 H new ATOM 0 HG SER B 126 -4.174 -11.766 6.082 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.555 -9.152 3.417 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.262 -8.310 2.441 1.00 0.00 C ATOM 1108 C LYS B 127 -5.069 -7.162 3.056 1.00 0.00 C ATOM 1109 O LYS B 127 -5.030 -6.040 2.549 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.130 -9.175 1.518 1.00 0.00 C ATOM 1111 CG LYS B 127 -4.699 -8.948 0.065 1.00 0.00 C ATOM 1112 CD LYS B 127 -5.629 -9.687 -0.891 1.00 0.00 C ATOM 1113 CE LYS B 127 -5.222 -9.384 -2.335 1.00 0.00 C ATOM 1114 NZ LYS B 127 -6.286 -9.757 -3.292 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.837 -10.132 3.380 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.487 -7.819 1.853 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -5.025 -10.228 1.781 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -6.182 -8.919 1.642 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -4.709 -7.882 -0.161 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -3.675 -9.294 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -5.580 -10.760 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -6.661 -9.381 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.998 -8.322 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -4.308 -9.926 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.877 -9.863 -4.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -6.717 -10.657 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -7.013 -9.014 -3.309 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.758 -7.410 4.166 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.491 -6.372 4.896 1.00 0.00 C ATOM 1130 C ASN B 128 -5.547 -5.299 5.471 1.00 0.00 C ATOM 1131 O ASN B 128 -5.848 -4.105 5.412 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.323 -7.044 6.003 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.339 -8.040 5.462 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.058 -9.216 5.263 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -9.548 -7.604 5.186 1.00 0.00 N ATOM 0 H ASN B 128 -5.826 -8.336 4.588 1.00 0.00 H new ATOM 0 HA ASN B 128 -7.155 -5.852 4.206 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -6.653 -7.556 6.693 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.844 -6.276 6.575 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -10.247 -8.244 4.808 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -9.787 -6.626 5.350 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.388 -5.721 5.987 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.386 -4.844 6.591 1.00 0.00 C ATOM 1144 C GLN B 129 -2.600 -4.019 5.560 1.00 0.00 C ATOM 1145 O GLN B 129 -2.407 -2.820 5.768 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.440 -5.686 7.467 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.114 -6.337 8.689 1.00 0.00 C ATOM 1148 CD GLN B 129 -3.379 -5.384 9.857 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -3.324 -4.164 9.757 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -3.682 -5.907 11.029 1.00 0.00 N ATOM 0 H GLN B 129 -4.117 -6.704 5.995 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.913 -4.115 7.207 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.996 -6.469 6.852 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.624 -5.051 7.813 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -4.061 -6.776 8.374 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -2.485 -7.155 9.041 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.734 -6.920 11.137 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -3.864 -5.299 11.827 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.175 -4.607 4.431 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.501 -3.865 3.354 1.00 0.00 C ATOM 1161 C LEU B 130 -2.444 -2.854 2.679 1.00 0.00 C ATOM 1162 O LEU B 130 -2.005 -1.766 2.298 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.815 -4.825 2.364 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.737 -5.670 1.465 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.144 -4.986 0.156 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -1.067 -6.999 1.100 1.00 0.00 C ATOM 0 H LEU B 130 -2.288 -5.603 4.240 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.706 -3.267 3.798 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.158 -4.238 1.721 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.180 -5.504 2.933 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.638 -5.820 2.060 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.792 -5.650 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.677 -4.062 0.379 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.252 -4.758 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.735 -7.581 0.465 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.137 -6.803 0.566 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.852 -7.560 2.010 1.00 0.00 H new ATOM 1178 N MET B 131 -3.744 -3.170 2.575 1.00 0.00 N ATOM 1179 CA MET B 131 -4.760 -2.223 2.105 1.00 0.00 C ATOM 1180 C MET B 131 -4.923 -1.048 3.079 1.00 0.00 C ATOM 1181 O MET B 131 -4.899 0.100 2.643 1.00 0.00 O ATOM 1182 CB MET B 131 -6.101 -2.935 1.871 1.00 0.00 C ATOM 1183 CG MET B 131 -6.142 -3.573 0.479 1.00 0.00 C ATOM 1184 SD MET B 131 -7.734 -4.301 0.004 1.00 0.00 S ATOM 1185 CE MET B 131 -7.481 -6.024 0.502 1.00 0.00 C ATOM 0 H MET B 131 -4.117 -4.088 2.815 1.00 0.00 H new ATOM 0 HA MET B 131 -4.421 -1.815 1.153 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.249 -3.701 2.632 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.919 -2.222 1.974 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.874 -2.815 -0.257 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.378 -4.349 0.431 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.323 -6.628 0.163 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.561 -6.401 0.055 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.407 -6.082 1.588 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.014 -1.311 4.388 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.074 -0.264 5.408 1.00 0.00 C ATOM 1197 C ALA B 132 -3.806 0.622 5.426 1.00 0.00 C ATOM 1198 O ALA B 132 -3.911 1.838 5.572 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.326 -0.919 6.768 1.00 0.00 C ATOM 0 H ALA B 132 -5.048 -2.257 4.767 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.896 0.410 5.168 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.373 -0.150 7.539 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.270 -1.464 6.740 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.515 -1.611 6.995 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.620 0.036 5.225 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.336 0.744 5.125 1.00 0.00 C ATOM 1207 C LEU B 133 -1.311 1.700 3.919 1.00 0.00 C ATOM 1208 O LEU B 133 -1.043 2.893 4.082 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.208 -0.312 5.094 1.00 0.00 C ATOM 1210 CG LEU B 133 1.260 0.171 5.005 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.663 0.708 3.631 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.601 1.210 6.066 1.00 0.00 C ATOM 0 H LEU B 133 -2.523 -0.974 5.124 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.185 1.386 5.993 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.301 -0.922 5.993 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.392 -0.968 4.243 1.00 0.00 H new ATOM 0 HG LEU B 133 1.839 -0.735 5.187 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.706 1.025 3.656 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.539 -0.076 2.884 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.032 1.558 3.373 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.642 1.513 5.957 1.00 0.00 H new ATOM 0 HD22 LEU B 133 0.955 2.080 5.944 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.450 0.781 7.057 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.633 1.206 2.722 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.647 2.024 1.508 1.00 0.00 C ATOM 1226 C ALA B 134 -2.750 3.101 1.537 1.00 0.00 C ATOM 1227 O ALA B 134 -2.511 4.230 1.111 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.759 1.080 0.304 1.00 0.00 C ATOM 0 H ALA B 134 -1.891 0.231 2.567 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.719 2.591 1.433 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.772 1.664 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.905 0.403 0.292 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.680 0.502 0.379 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.923 2.804 2.109 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.997 3.782 2.332 1.00 0.00 C ATOM 1236 C LEU B 135 -4.549 4.877 3.318 1.00 0.00 C ATOM 1237 O LEU B 135 -4.730 6.058 3.032 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.261 3.029 2.799 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.610 3.784 2.831 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.701 4.938 3.833 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.986 4.315 1.450 1.00 0.00 C ATOM 0 H LEU B 135 -4.157 1.866 2.434 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.235 4.301 1.404 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.385 2.160 2.153 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.069 2.654 3.804 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.314 3.022 3.167 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.688 5.396 3.771 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.540 4.558 4.842 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.940 5.683 3.600 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.939 4.840 1.509 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.214 5.002 1.102 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.073 3.483 0.751 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.897 4.510 4.429 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.324 5.449 5.415 1.00 0.00 C ATOM 1255 C LYS B 136 -2.314 6.401 4.775 1.00 0.00 C ATOM 1256 O LYS B 136 -2.415 7.613 4.959 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.729 4.653 6.588 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.133 5.572 7.670 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.777 4.808 8.955 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.693 3.750 8.716 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.331 3.053 9.976 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.747 3.532 4.677 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.118 6.087 5.804 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.504 4.028 7.031 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -1.954 3.983 6.215 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.238 6.057 7.279 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -2.846 6.362 7.906 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.434 5.513 9.712 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.672 4.327 9.350 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.046 3.023 7.985 1.00 0.00 H new ATOM 0 HE3 LYS B 136 0.193 4.223 8.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.404 2.344 9.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 0.029 3.745 10.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.172 2.582 10.366 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.391 5.888 3.959 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.443 6.704 3.186 1.00 0.00 C ATOM 1277 C LEU B 137 -1.155 7.631 2.181 1.00 0.00 C ATOM 1278 O LEU B 137 -0.746 8.788 2.032 1.00 0.00 O ATOM 1279 CB LEU B 137 0.540 5.775 2.458 1.00 0.00 C ATOM 1280 CG LEU B 137 1.906 5.584 3.146 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.831 5.097 4.590 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.706 4.560 2.341 1.00 0.00 C ATOM 0 H LEU B 137 -1.277 4.885 3.812 1.00 0.00 H new ATOM 0 HA LEU B 137 0.096 7.349 3.880 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.071 4.798 2.342 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.709 6.168 1.456 1.00 0.00 H new ATOM 0 HG LEU B 137 2.374 6.568 3.176 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.839 4.992 4.991 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.275 5.819 5.189 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.325 4.132 4.623 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.678 4.408 2.810 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.164 3.615 2.314 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.847 4.926 1.324 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.217 7.159 1.512 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.986 7.950 0.537 1.00 0.00 C ATOM 1296 C LYS B 138 -3.770 9.093 1.188 1.00 0.00 C ATOM 1297 O LYS B 138 -3.710 10.214 0.693 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.907 7.035 -0.288 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.505 7.703 -1.542 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.433 8.109 -2.565 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.015 8.451 -3.938 1.00 0.00 C ATOM 1302 NZ LYS B 138 -4.761 9.733 -3.935 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.570 6.210 1.633 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.268 8.420 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.344 6.153 -0.594 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.721 6.689 0.349 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.210 7.018 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.070 8.586 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.884 8.970 -2.185 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.715 7.296 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -3.207 8.506 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.680 7.648 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -5.135 9.919 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -5.549 9.674 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -4.123 10.505 -3.657 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.460 8.850 2.306 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.172 9.918 3.024 1.00 0.00 C ATOM 1318 C GLN B 139 -4.195 10.936 3.649 1.00 0.00 C ATOM 1319 O GLN B 139 -4.515 12.119 3.699 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.171 9.341 4.045 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.545 8.704 5.296 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.580 8.351 6.364 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -6.673 8.973 7.416 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.404 7.352 6.147 1.00 0.00 N ATOM 0 H GLN B 139 -4.542 7.928 2.734 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.762 10.473 2.295 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.842 10.140 4.362 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.783 8.591 3.544 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.006 7.802 5.007 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.813 9.391 5.720 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.344 6.821 5.278 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.104 7.107 6.847 1.00 0.00 H new ATOM 1333 N GLN B 140 -2.986 10.522 4.049 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.951 11.433 4.569 1.00 0.00 C ATOM 1335 C GLN B 140 -1.487 12.460 3.523 1.00 0.00 C ATOM 1336 O GLN B 140 -1.483 13.655 3.813 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.764 10.622 5.107 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.033 10.041 6.508 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.053 8.945 6.926 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.792 8.479 6.171 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.114 8.492 8.158 1.00 0.00 N ATOM 0 H GLN B 140 -2.695 9.545 4.022 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.396 12.004 5.384 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.541 9.809 4.417 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.120 11.259 5.145 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -0.992 10.849 7.239 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.045 9.638 6.535 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -0.809 8.865 8.805 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.534 7.768 8.468 1.00 0.00 H new