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 38 LYS NZ :NH3+ -173:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.87 K(o=3.8,f=-2.8) USER MOD Set 1.3: B 140 GLN : amide:sc= 0.824 K(o=3.8,f=-2.8) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -151:sc= 0.826 (180deg=0.907) USER MOD Set 2.2: B 123 SER OG : rot 180:sc= 0.578 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.348 USER MOD Single : A 20 SER OG : rot 75:sc= 0.767 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00605 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 29 GLN : amide:sc= 0.534 K(o=0.53,f=-4.2!) USER MOD Single : A 31 MET CE :methyl 178:sc= -0.0448 (180deg=-0.0484) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 78:sc= 0.699 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 127 LYS NZ :NH3+ -170:sc= 0.828 (180deg=0.751) USER MOD Single : B 128 ASN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.531 K(o=0.53,f=-3.9!) USER MOD Single : B 131 MET CE :methyl 161:sc= -0.2 (180deg=-0.272) 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= -0.0117 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.741 7.112 -1.911 1.00 0.00 N ATOM 165 CA TRP A 14 -13.471 6.927 -2.633 1.00 0.00 C ATOM 166 C TRP A 14 -12.567 5.875 -1.978 1.00 0.00 C ATOM 167 O TRP A 14 -11.833 5.180 -2.681 1.00 0.00 O ATOM 168 CB TRP A 14 -12.736 8.274 -2.778 1.00 0.00 C ATOM 169 CG TRP A 14 -12.006 8.811 -1.571 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.473 9.758 -0.725 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.675 8.454 -1.071 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.529 10.021 0.250 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.396 9.247 0.089 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.665 7.555 -1.487 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -9.192 9.136 0.810 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.457 7.435 -0.777 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.222 8.217 0.373 1.00 0.00 C ATOM 0 HA TRP A 14 -13.717 6.549 -3.625 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -12.015 8.176 -3.589 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.466 9.022 -3.088 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.438 10.237 -0.800 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.654 10.704 0.998 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.825 6.949 -2.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.017 9.746 1.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.704 6.739 -1.115 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.296 8.110 0.918 1.00 0.00 H new ATOM 188 N LYS A 15 -12.631 5.720 -0.650 1.00 0.00 N ATOM 189 CA LYS A 15 -11.791 4.788 0.119 1.00 0.00 C ATOM 190 C LYS A 15 -12.120 3.328 -0.189 1.00 0.00 C ATOM 191 O LYS A 15 -11.216 2.508 -0.341 1.00 0.00 O ATOM 192 CB LYS A 15 -11.947 5.081 1.624 1.00 0.00 C ATOM 193 CG LYS A 15 -11.475 6.502 1.983 1.00 0.00 C ATOM 194 CD LYS A 15 -11.803 6.858 3.438 1.00 0.00 C ATOM 195 CE LYS A 15 -11.213 8.234 3.770 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.744 8.775 5.047 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.280 6.248 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.753 4.942 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.992 4.962 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.374 4.352 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.400 6.580 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.949 7.222 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.883 6.867 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.395 6.103 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.128 8.157 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.437 8.929 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.319 9.706 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.777 8.873 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.508 8.125 5.824 1.00 0.00 H new ATOM 210 N ASP A 16 -13.403 3.003 -0.341 1.00 0.00 N ATOM 211 CA ASP A 16 -13.869 1.667 -0.728 1.00 0.00 C ATOM 212 C ASP A 16 -13.426 1.297 -2.158 1.00 0.00 C ATOM 213 O ASP A 16 -12.951 0.186 -2.408 1.00 0.00 O ATOM 214 CB ASP A 16 -15.403 1.620 -0.592 1.00 0.00 C ATOM 215 CG ASP A 16 -16.012 0.223 -0.791 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.360 -0.798 -0.468 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.190 0.137 -1.215 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.162 3.669 -0.197 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.418 0.929 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.680 1.987 0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.842 2.302 -1.320 1.00 0.00 H new ATOM 222 N ASP A 17 -13.490 2.250 -3.091 1.00 0.00 N ATOM 223 CA ASP A 17 -12.951 2.089 -4.452 1.00 0.00 C ATOM 224 C ASP A 17 -11.417 1.955 -4.467 1.00 0.00 C ATOM 225 O ASP A 17 -10.866 1.199 -5.272 1.00 0.00 O ATOM 226 CB ASP A 17 -13.387 3.269 -5.340 1.00 0.00 C ATOM 227 CG ASP A 17 -14.906 3.380 -5.596 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.356 4.481 -6.000 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.652 2.379 -5.463 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.918 3.161 -2.927 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.360 1.160 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.045 4.195 -4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.879 3.186 -6.301 1.00 0.00 H new ATOM 234 N TYR A 18 -10.711 2.646 -3.563 1.00 0.00 N ATOM 235 CA TYR A 18 -9.254 2.561 -3.447 1.00 0.00 C ATOM 236 C TYR A 18 -8.810 1.189 -2.914 1.00 0.00 C ATOM 237 O TYR A 18 -7.918 0.558 -3.487 1.00 0.00 O ATOM 238 CB TYR A 18 -8.720 3.717 -2.589 1.00 0.00 C ATOM 239 CG TYR A 18 -7.320 4.153 -2.976 1.00 0.00 C ATOM 240 CD1 TYR A 18 -7.152 4.946 -4.125 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.198 3.768 -2.217 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.868 5.329 -4.540 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.904 4.152 -2.626 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.740 4.918 -3.801 1.00 0.00 C ATOM 245 OH TYR A 18 -3.507 5.239 -4.266 1.00 0.00 O ATOM 0 H TYR A 18 -11.139 3.282 -2.890 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.822 2.659 -4.443 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.396 4.568 -2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.723 3.415 -1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.016 5.262 -4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.328 3.179 -1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.744 5.937 -5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.042 3.862 -2.043 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.826 4.891 -3.653 1.00 0.00 H new ATOM 255 N LEU A 19 -9.488 0.654 -1.891 1.00 0.00 N ATOM 256 CA LEU A 19 -9.296 -0.732 -1.436 1.00 0.00 C ATOM 257 C LEU A 19 -9.607 -1.738 -2.560 1.00 0.00 C ATOM 258 O LEU A 19 -8.841 -2.680 -2.774 1.00 0.00 O ATOM 259 CB LEU A 19 -10.175 -0.990 -0.194 1.00 0.00 C ATOM 260 CG LEU A 19 -9.430 -0.825 1.142 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.778 0.540 1.337 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.393 -1.063 2.305 1.00 0.00 C ATOM 0 H LEU A 19 -10.186 1.169 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.250 -0.873 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.023 -0.306 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.580 -2.001 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.628 -1.563 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.276 0.568 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.050 0.712 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.542 1.317 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.860 -0.945 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.208 -0.341 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.798 -2.073 2.241 1.00 0.00 H new ATOM 274 N SER A 20 -10.679 -1.519 -3.329 1.00 0.00 N ATOM 275 CA SER A 20 -11.054 -2.390 -4.451 1.00 0.00 C ATOM 276 C SER A 20 -9.978 -2.454 -5.545 1.00 0.00 C ATOM 277 O SER A 20 -9.727 -3.542 -6.072 1.00 0.00 O ATOM 278 CB SER A 20 -12.387 -1.957 -5.071 1.00 0.00 C ATOM 279 OG SER A 20 -13.454 -2.063 -4.139 1.00 0.00 O ATOM 0 H SER A 20 -11.313 -0.732 -3.192 1.00 0.00 H new ATOM 0 HA SER A 20 -11.157 -3.389 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.309 -0.928 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.602 -2.575 -5.943 1.00 0.00 H new ATOM 0 HG SER A 20 -13.398 -1.328 -3.493 1.00 0.00 H new ATOM 285 N ARG A 21 -9.303 -1.335 -5.873 1.00 0.00 N ATOM 286 CA ARG A 21 -8.196 -1.316 -6.856 1.00 0.00 C ATOM 287 C ARG A 21 -6.884 -1.889 -6.292 1.00 0.00 C ATOM 288 O ARG A 21 -6.213 -2.653 -6.984 1.00 0.00 O ATOM 289 CB ARG A 21 -8.042 0.081 -7.502 1.00 0.00 C ATOM 290 CG ARG A 21 -7.042 1.029 -6.822 1.00 0.00 C ATOM 291 CD ARG A 21 -7.022 2.420 -7.463 1.00 0.00 C ATOM 292 NE ARG A 21 -5.860 3.198 -6.982 1.00 0.00 N ATOM 293 CZ ARG A 21 -4.724 3.418 -7.622 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.502 2.964 -8.829 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -3.771 4.107 -7.061 1.00 0.00 N ATOM 0 H ARG A 21 -9.507 -0.421 -5.467 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.465 -1.998 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.738 -0.052 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.019 0.564 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.296 1.123 -5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.043 0.595 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.979 2.326 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.945 2.949 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.944 3.611 -6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.219 2.419 -9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.612 3.155 -9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.898 4.482 -6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.898 4.272 -7.562 1.00 0.00 H new ATOM 309 N LEU A 22 -6.527 -1.566 -5.045 1.00 0.00 N ATOM 310 CA LEU A 22 -5.300 -2.039 -4.375 1.00 0.00 C ATOM 311 C LEU A 22 -5.263 -3.571 -4.240 1.00 0.00 C ATOM 312 O LEU A 22 -4.217 -4.187 -4.448 1.00 0.00 O ATOM 313 CB LEU A 22 -5.201 -1.382 -2.986 1.00 0.00 C ATOM 314 CG LEU A 22 -4.354 -0.097 -2.891 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.571 0.934 -4.001 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.662 0.567 -1.551 1.00 0.00 C ATOM 0 H LEU A 22 -7.092 -0.955 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.447 -1.753 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.210 -1.151 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.789 -2.114 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.317 -0.417 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.923 1.794 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.333 0.486 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.612 1.258 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.076 1.481 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.724 0.809 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.407 -0.115 -0.740 1.00 0.00 H new ATOM 328 N SER A 23 -6.411 -4.190 -3.942 1.00 0.00 N ATOM 329 CA SER A 23 -6.573 -5.648 -3.840 1.00 0.00 C ATOM 330 C SER A 23 -6.123 -6.417 -5.098 1.00 0.00 C ATOM 331 O SER A 23 -5.657 -7.556 -4.993 1.00 0.00 O ATOM 332 CB SER A 23 -8.043 -5.961 -3.524 1.00 0.00 C ATOM 333 OG SER A 23 -8.231 -7.343 -3.262 1.00 0.00 O ATOM 0 H SER A 23 -7.275 -3.680 -3.760 1.00 0.00 H new ATOM 0 HA SER A 23 -5.918 -5.989 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.364 -5.378 -2.661 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.670 -5.659 -4.363 1.00 0.00 H new ATOM 0 HG SER A 23 -9.175 -7.513 -3.063 1.00 0.00 H new ATOM 339 N ARG A 24 -6.202 -5.801 -6.290 1.00 0.00 N ATOM 340 CA ARG A 24 -5.901 -6.460 -7.575 1.00 0.00 C ATOM 341 C ARG A 24 -4.401 -6.687 -7.832 1.00 0.00 C ATOM 342 O ARG A 24 -4.054 -7.551 -8.640 1.00 0.00 O ATOM 343 CB ARG A 24 -6.497 -5.649 -8.744 1.00 0.00 C ATOM 344 CG ARG A 24 -7.985 -5.282 -8.609 1.00 0.00 C ATOM 345 CD ARG A 24 -8.918 -6.471 -8.316 1.00 0.00 C ATOM 346 NE ARG A 24 -8.872 -7.499 -9.376 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.529 -7.509 -10.527 1.00 0.00 C ATOM 348 NH1 ARG A 24 -10.341 -6.552 -10.868 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.367 -8.492 -11.365 1.00 0.00 N ATOM 0 H ARG A 24 -6.479 -4.824 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.361 -7.446 -7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.923 -4.729 -8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.364 -6.219 -9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.093 -4.548 -7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.311 -4.800 -9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.639 -6.922 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.941 -6.109 -8.209 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.261 -8.297 -9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.489 -5.761 -10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.830 -6.593 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.733 -9.258 -11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.874 -8.497 -12.250 1.00 0.00 H new ATOM 363 N LEU A 25 -3.519 -5.924 -7.178 1.00 0.00 N ATOM 364 CA LEU A 25 -2.070 -6.008 -7.372 1.00 0.00 C ATOM 365 C LEU A 25 -1.450 -7.253 -6.699 1.00 0.00 C ATOM 366 O LEU A 25 -1.862 -7.667 -5.607 1.00 0.00 O ATOM 367 CB LEU A 25 -1.372 -4.721 -6.883 1.00 0.00 C ATOM 368 CG LEU A 25 -1.557 -3.429 -7.706 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.472 -3.636 -9.217 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.866 -2.712 -7.400 1.00 0.00 C ATOM 0 H LEU A 25 -3.796 -5.223 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.905 -6.111 -8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.717 -4.521 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.303 -4.926 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.716 -2.811 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.612 -2.681 -9.724 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.494 -4.043 -9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.249 -4.332 -9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.939 -1.811 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.704 -3.372 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.894 -2.439 -6.345 1.00 0.00 H new ATOM 382 N SER A 26 -0.429 -7.813 -7.347 1.00 0.00 N ATOM 383 CA SER A 26 0.432 -8.881 -6.811 1.00 0.00 C ATOM 384 C SER A 26 1.360 -8.364 -5.692 1.00 0.00 C ATOM 385 O SER A 26 1.522 -7.153 -5.518 1.00 0.00 O ATOM 386 CB SER A 26 1.231 -9.505 -7.963 1.00 0.00 C ATOM 387 OG SER A 26 1.967 -10.636 -7.528 1.00 0.00 O ATOM 0 H SER A 26 -0.165 -7.530 -8.291 1.00 0.00 H new ATOM 0 HA SER A 26 -0.197 -9.646 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.551 -9.797 -8.763 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.913 -8.763 -8.379 1.00 0.00 H new ATOM 0 HG SER A 26 2.464 -11.013 -8.284 1.00 0.00 H new ATOM 393 N LYS A 27 2.007 -9.270 -4.938 1.00 0.00 N ATOM 394 CA LYS A 27 2.814 -8.978 -3.734 1.00 0.00 C ATOM 395 C LYS A 27 3.936 -7.963 -3.969 1.00 0.00 C ATOM 396 O LYS A 27 4.180 -7.107 -3.125 1.00 0.00 O ATOM 397 CB LYS A 27 3.409 -10.295 -3.194 1.00 0.00 C ATOM 398 CG LYS A 27 3.746 -10.235 -1.691 1.00 0.00 C ATOM 399 CD LYS A 27 2.493 -10.397 -0.811 1.00 0.00 C ATOM 400 CE LYS A 27 2.770 -10.155 0.682 1.00 0.00 C ATOM 401 NZ LYS A 27 3.707 -11.144 1.275 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.983 -10.266 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 27 2.141 -8.522 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.701 -11.105 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.313 -10.535 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.463 -11.020 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.227 -9.283 -1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.726 -9.701 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.092 -11.402 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.181 -9.154 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.827 -10.185 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.494 -11.262 2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.600 -12.058 0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.684 -10.806 1.165 1.00 0.00 H new ATOM 415 N ASN A 28 4.596 -8.034 -5.119 1.00 0.00 N ATOM 416 CA ASN A 28 5.661 -7.109 -5.528 1.00 0.00 C ATOM 417 C ASN A 28 5.127 -5.806 -6.160 1.00 0.00 C ATOM 418 O ASN A 28 5.789 -4.766 -6.102 1.00 0.00 O ATOM 419 CB ASN A 28 6.579 -7.879 -6.494 1.00 0.00 C ATOM 420 CG ASN A 28 7.346 -9.024 -5.840 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.677 -9.010 -4.661 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.644 -10.061 -6.586 1.00 0.00 N ATOM 0 H ASN A 28 4.404 -8.754 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 28 6.212 -6.777 -4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.977 -8.278 -7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.292 -7.182 -6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.149 -10.851 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.371 -10.078 -7.569 1.00 0.00 H new ATOM 429 N GLN A 29 3.930 -5.842 -6.756 1.00 0.00 N ATOM 430 CA GLN A 29 3.291 -4.689 -7.409 1.00 0.00 C ATOM 431 C GLN A 29 2.666 -3.719 -6.389 1.00 0.00 C ATOM 432 O GLN A 29 2.810 -2.503 -6.525 1.00 0.00 O ATOM 433 CB GLN A 29 2.222 -5.193 -8.385 1.00 0.00 C ATOM 434 CG GLN A 29 2.792 -6.001 -9.565 1.00 0.00 C ATOM 435 CD GLN A 29 1.694 -6.640 -10.421 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.564 -6.856 -9.996 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.991 -6.994 -11.654 1.00 0.00 N ATOM 0 H GLN A 29 3.365 -6.690 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 29 4.059 -4.135 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.510 -5.814 -7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.667 -4.339 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.401 -5.347 -10.189 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.451 -6.781 -9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.926 -6.822 -12.023 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.286 -7.441 -12.240 1.00 0.00 H new ATOM 446 N LEU A 30 2.015 -4.238 -5.340 1.00 0.00 N ATOM 447 CA LEU A 30 1.458 -3.421 -4.248 1.00 0.00 C ATOM 448 C LEU A 30 2.555 -2.661 -3.477 1.00 0.00 C ATOM 449 O LEU A 30 2.304 -1.562 -2.981 1.00 0.00 O ATOM 450 CB LEU A 30 0.573 -4.290 -3.328 1.00 0.00 C ATOM 451 CG LEU A 30 1.264 -5.449 -2.575 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.871 -5.047 -1.226 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.252 -6.566 -2.324 1.00 0.00 C ATOM 0 H LEU A 30 1.858 -5.239 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 30 0.821 -2.652 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.109 -3.636 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.231 -4.711 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 30 2.085 -5.772 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.336 -5.917 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.623 -4.273 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.086 -4.664 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.738 -7.385 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.572 -6.182 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.133 -6.929 -3.277 1.00 0.00 H new ATOM 465 N MET A 31 3.779 -3.205 -3.430 1.00 0.00 N ATOM 466 CA MET A 31 4.929 -2.525 -2.827 1.00 0.00 C ATOM 467 C MET A 31 5.335 -1.285 -3.623 1.00 0.00 C ATOM 468 O MET A 31 5.603 -0.253 -3.024 1.00 0.00 O ATOM 469 CB MET A 31 6.138 -3.461 -2.726 1.00 0.00 C ATOM 470 CG MET A 31 5.961 -4.615 -1.742 1.00 0.00 C ATOM 471 SD MET A 31 7.283 -5.849 -1.893 1.00 0.00 S ATOM 472 CE MET A 31 6.652 -7.092 -0.739 1.00 0.00 C ATOM 0 H MET A 31 3.997 -4.127 -3.809 1.00 0.00 H new ATOM 0 HA MET A 31 4.617 -2.221 -1.828 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.349 -3.871 -3.714 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.010 -2.878 -2.430 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.945 -4.224 -0.725 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.997 -5.094 -1.915 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.323 -7.951 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.593 -6.663 0.261 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.659 -7.412 -1.056 1.00 0.00 H new ATOM 482 N ALA A 32 5.375 -1.363 -4.957 1.00 0.00 N ATOM 483 CA ALA A 32 5.731 -0.228 -5.810 1.00 0.00 C ATOM 484 C ALA A 32 4.745 0.949 -5.650 1.00 0.00 C ATOM 485 O ALA A 32 5.165 2.105 -5.564 1.00 0.00 O ATOM 486 CB ALA A 32 5.829 -0.712 -7.260 1.00 0.00 C ATOM 0 H ALA A 32 5.161 -2.216 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 32 6.701 0.162 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.094 0.125 -7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.594 -1.484 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.868 -1.122 -7.573 1.00 0.00 H new ATOM 492 N LEU A 33 3.443 0.647 -5.529 1.00 0.00 N ATOM 493 CA LEU A 33 2.387 1.626 -5.243 1.00 0.00 C ATOM 494 C LEU A 33 2.592 2.274 -3.863 1.00 0.00 C ATOM 495 O LEU A 33 2.660 3.500 -3.756 1.00 0.00 O ATOM 496 CB LEU A 33 1.022 0.914 -5.400 1.00 0.00 C ATOM 497 CG LEU A 33 -0.268 1.733 -5.177 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.584 2.049 -3.719 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.276 3.031 -5.984 1.00 0.00 C ATOM 0 H LEU A 33 3.089 -0.304 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 33 2.422 2.456 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.980 0.497 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.005 0.074 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.055 1.069 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.507 2.626 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.704 1.119 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.232 2.628 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.203 3.572 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.572 3.649 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.202 2.799 -7.047 1.00 0.00 H new ATOM 511 N ALA A 34 2.753 1.467 -2.810 1.00 0.00 N ATOM 512 CA ALA A 34 2.927 1.962 -1.448 1.00 0.00 C ATOM 513 C ALA A 34 4.239 2.753 -1.256 1.00 0.00 C ATOM 514 O ALA A 34 4.247 3.789 -0.595 1.00 0.00 O ATOM 515 CB ALA A 34 2.827 0.768 -0.496 1.00 0.00 C ATOM 0 H ALA A 34 2.766 0.450 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 34 2.139 2.681 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.954 1.110 0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.850 0.298 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.606 0.045 -0.736 1.00 0.00 H new ATOM 521 N LEU A 35 5.339 2.318 -1.879 1.00 0.00 N ATOM 522 CA LEU A 35 6.642 2.998 -1.873 1.00 0.00 C ATOM 523 C LEU A 35 6.552 4.358 -2.577 1.00 0.00 C ATOM 524 O LEU A 35 7.052 5.352 -2.048 1.00 0.00 O ATOM 525 CB LEU A 35 7.676 2.042 -2.507 1.00 0.00 C ATOM 526 CG LEU A 35 9.173 2.424 -2.497 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.548 3.587 -3.413 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.686 2.731 -1.091 1.00 0.00 C ATOM 0 H LEU A 35 5.349 1.454 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 35 6.963 3.225 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.581 1.079 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.385 1.889 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 35 9.658 1.530 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.618 3.780 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.297 3.334 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.997 4.478 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.743 2.994 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.123 3.565 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.559 1.853 -0.457 1.00 0.00 H new ATOM 540 N LYS A 36 5.869 4.437 -3.731 1.00 0.00 N ATOM 541 CA LYS A 36 5.599 5.695 -4.453 1.00 0.00 C ATOM 542 C LYS A 36 4.818 6.683 -3.577 1.00 0.00 C ATOM 543 O LYS A 36 5.244 7.831 -3.437 1.00 0.00 O ATOM 544 CB LYS A 36 4.894 5.376 -5.782 1.00 0.00 C ATOM 545 CG LYS A 36 4.602 6.635 -6.613 1.00 0.00 C ATOM 546 CD LYS A 36 4.137 6.313 -8.045 1.00 0.00 C ATOM 547 CE LYS A 36 2.800 5.554 -8.067 1.00 0.00 C ATOM 548 NZ LYS A 36 2.351 5.291 -9.462 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.482 3.616 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 36 6.539 6.194 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.516 4.697 -6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.959 4.855 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.835 7.225 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.500 7.251 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.035 7.240 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.899 5.717 -8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.906 4.610 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.041 6.134 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.447 4.778 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.227 6.194 -9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.065 4.717 -9.954 1.00 0.00 H new ATOM 562 N LEU A 37 3.743 6.234 -2.928 1.00 0.00 N ATOM 563 CA LEU A 37 2.994 7.023 -1.945 1.00 0.00 C ATOM 564 C LEU A 37 3.869 7.457 -0.753 1.00 0.00 C ATOM 565 O LEU A 37 3.744 8.596 -0.283 1.00 0.00 O ATOM 566 CB LEU A 37 1.788 6.203 -1.444 1.00 0.00 C ATOM 567 CG LEU A 37 0.435 6.507 -2.100 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.439 6.357 -3.620 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.610 5.544 -1.529 1.00 0.00 C ATOM 0 H LEU A 37 3.361 5.299 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 37 2.652 7.933 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.009 5.146 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.690 6.361 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 37 0.207 7.550 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.552 6.588 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.169 7.042 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.703 5.333 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.579 5.746 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.315 4.517 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.681 5.682 -0.450 1.00 0.00 H new ATOM 581 N LYS A 38 4.761 6.580 -0.261 1.00 0.00 N ATOM 582 CA LYS A 38 5.624 6.867 0.892 1.00 0.00 C ATOM 583 C LYS A 38 6.690 7.912 0.579 1.00 0.00 C ATOM 584 O LYS A 38 6.797 8.882 1.322 1.00 0.00 O ATOM 585 CB LYS A 38 6.246 5.564 1.454 1.00 0.00 C ATOM 586 CG LYS A 38 6.952 5.765 2.812 1.00 0.00 C ATOM 587 CD LYS A 38 5.986 6.126 3.958 1.00 0.00 C ATOM 588 CE LYS A 38 6.737 6.537 5.222 1.00 0.00 C ATOM 589 NZ LYS A 38 5.794 6.975 6.282 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.902 5.650 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 38 4.991 7.301 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.463 4.814 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.963 5.171 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.488 4.852 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.697 6.555 2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.334 6.940 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.346 5.271 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.333 5.699 5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.431 7.345 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.330 7.360 7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.163 7.709 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.228 6.163 6.601 1.00 0.00 H new ATOM 603 N GLN A 39 7.439 7.780 -0.520 1.00 0.00 N ATOM 604 CA GLN A 39 8.475 8.762 -0.888 1.00 0.00 C ATOM 605 C GLN A 39 7.875 10.148 -1.197 1.00 0.00 C ATOM 606 O GLN A 39 8.501 11.169 -0.902 1.00 0.00 O ATOM 607 CB GLN A 39 9.376 8.234 -2.023 1.00 0.00 C ATOM 608 CG GLN A 39 8.711 8.163 -3.405 1.00 0.00 C ATOM 609 CD GLN A 39 9.713 7.774 -4.487 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.588 8.539 -4.875 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.646 6.566 -5.002 1.00 0.00 N ATOM 0 H GLN A 39 7.350 7.003 -1.174 1.00 0.00 H new ATOM 0 HA GLN A 39 9.118 8.901 -0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.257 8.873 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.726 7.237 -1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.898 7.437 -3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.269 9.129 -3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.923 5.918 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.317 6.277 -5.714 1.00 0.00 H new ATOM 620 N GLN A 40 6.641 10.200 -1.713 1.00 0.00 N ATOM 621 CA GLN A 40 5.907 11.448 -1.957 1.00 0.00 C ATOM 622 C GLN A 40 5.660 12.259 -0.673 1.00 0.00 C ATOM 623 O GLN A 40 5.853 13.476 -0.679 1.00 0.00 O ATOM 624 CB GLN A 40 4.577 11.114 -2.656 1.00 0.00 C ATOM 625 CG GLN A 40 4.776 10.909 -4.170 1.00 0.00 C ATOM 626 CD GLN A 40 3.592 10.239 -4.875 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.591 9.851 -4.287 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.647 10.076 -6.178 1.00 0.00 N ATOM 0 H GLN A 40 6.117 9.365 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 40 6.522 12.081 -2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.150 10.212 -2.218 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.862 11.920 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.960 11.877 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.669 10.304 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.468 10.389 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.869 9.637 -6.670 1.00 0.00 H new ATOM 637 N GLN A 41 5.270 11.609 0.430 1.00 0.00 N ATOM 638 CA GLN A 41 5.154 12.269 1.741 1.00 0.00 C ATOM 639 C GLN A 41 6.514 12.484 2.440 1.00 0.00 C ATOM 640 O GLN A 41 6.721 13.522 3.071 1.00 0.00 O ATOM 641 CB GLN A 41 4.122 11.541 2.632 1.00 0.00 C ATOM 642 CG GLN A 41 4.469 10.094 3.038 1.00 0.00 C ATOM 643 CD GLN A 41 3.585 9.534 4.152 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.070 8.938 5.107 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.281 9.702 4.092 1.00 0.00 N ATOM 0 H GLN A 41 5.027 10.618 0.442 1.00 0.00 H new ATOM 0 HA GLN A 41 4.777 13.276 1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.981 12.127 3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.166 11.529 2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.384 9.451 2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.510 10.057 3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.866 10.196 3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.685 9.338 4.835 1.00 0.00 H new ATOM 901 N LYS B 115 14.256 2.389 1.590 1.00 0.00 N ATOM 902 CA LYS B 115 13.357 1.834 0.569 1.00 0.00 C ATOM 903 C LYS B 115 13.426 0.306 0.483 1.00 0.00 C ATOM 904 O LYS B 115 12.398 -0.351 0.319 1.00 0.00 O ATOM 905 CB LYS B 115 13.692 2.470 -0.789 1.00 0.00 C ATOM 906 CG LYS B 115 13.510 3.998 -0.785 1.00 0.00 C ATOM 907 CD LYS B 115 13.843 4.596 -2.155 1.00 0.00 C ATOM 908 CE LYS B 115 13.666 6.119 -2.087 1.00 0.00 C ATOM 909 NZ LYS B 115 13.982 6.765 -3.380 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.333 2.075 0.856 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.722 2.231 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.055 2.033 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.483 4.244 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.153 4.442 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.866 4.347 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.191 4.174 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.640 6.354 -1.804 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.312 6.526 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.851 7.793 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 14.969 6.562 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.348 6.395 -4.117 1.00 0.00 H new ATOM 923 N ASP B 116 14.619 -0.270 0.649 1.00 0.00 N ATOM 924 CA ASP B 116 14.819 -1.726 0.676 1.00 0.00 C ATOM 925 C ASP B 116 14.188 -2.354 1.934 1.00 0.00 C ATOM 926 O ASP B 116 13.524 -3.390 1.852 1.00 0.00 O ATOM 927 CB ASP B 116 16.317 -2.067 0.597 1.00 0.00 C ATOM 928 CG ASP B 116 17.023 -1.617 -0.693 1.00 0.00 C ATOM 929 OD1 ASP B 116 16.362 -1.387 -1.737 1.00 0.00 O ATOM 930 OD2 ASP B 116 18.277 -1.523 -0.688 1.00 0.00 O1- ATOM 0 H ASP B 116 15.481 0.262 0.770 1.00 0.00 H new ATOM 0 HA ASP B 116 14.319 -2.148 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.823 -1.610 1.448 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.434 -3.146 0.699 1.00 0.00 H new ATOM 935 N ASP B 117 14.330 -1.705 3.096 1.00 0.00 N ATOM 936 CA ASP B 117 13.648 -2.098 4.337 1.00 0.00 C ATOM 937 C ASP B 117 12.115 -1.974 4.222 1.00 0.00 C ATOM 938 O ASP B 117 11.388 -2.849 4.705 1.00 0.00 O ATOM 939 CB ASP B 117 14.174 -1.261 5.508 1.00 0.00 C ATOM 940 CG ASP B 117 13.511 -1.673 6.832 1.00 0.00 C ATOM 941 OD1 ASP B 117 12.674 -0.897 7.359 1.00 0.00 O ATOM 942 OD2 ASP B 117 13.831 -2.764 7.358 1.00 0.00 O1- ATOM 0 H ASP B 117 14.927 -0.885 3.203 1.00 0.00 H new ATOM 0 HA ASP B 117 13.868 -3.150 4.519 1.00 0.00 H new ATOM 0 HB2 ASP B 117 15.254 -1.381 5.587 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.984 -0.205 5.317 1.00 0.00 H new ATOM 947 N TYR B 118 11.621 -0.935 3.539 1.00 0.00 N ATOM 948 CA TYR B 118 10.194 -0.724 3.316 1.00 0.00 C ATOM 949 C TYR B 118 9.585 -1.854 2.468 1.00 0.00 C ATOM 950 O TYR B 118 8.593 -2.464 2.862 1.00 0.00 O ATOM 951 CB TYR B 118 9.957 0.659 2.702 1.00 0.00 C ATOM 952 CG TYR B 118 8.521 1.143 2.807 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.047 1.629 4.042 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.656 1.099 1.695 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.712 2.060 4.175 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.329 1.558 1.816 1.00 0.00 C ATOM 957 CZ TYR B 118 5.848 2.014 3.062 1.00 0.00 C ATOM 958 OH TYR B 118 4.544 2.374 3.196 1.00 0.00 O ATOM 0 H TYR B 118 12.209 -0.213 3.123 1.00 0.00 H new ATOM 0 HA TYR B 118 9.681 -0.753 4.277 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.610 1.380 3.194 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.245 0.633 1.651 1.00 0.00 H new ATOM 0 HD1 TYR B 118 8.711 1.671 4.892 1.00 0.00 H new ATOM 0 HD2 TYR B 118 8.010 0.714 0.750 1.00 0.00 H new ATOM 0 HE1 TYR B 118 6.352 2.424 5.126 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.679 1.561 0.954 1.00 0.00 H new ATOM 0 HH TYR B 118 4.090 2.285 2.332 1.00 0.00 H new ATOM 968 N LEU B 119 10.222 -2.222 1.354 1.00 0.00 N ATOM 969 CA LEU B 119 9.802 -3.365 0.531 1.00 0.00 C ATOM 970 C LEU B 119 9.868 -4.700 1.301 1.00 0.00 C ATOM 971 O LEU B 119 8.979 -5.538 1.155 1.00 0.00 O ATOM 972 CB LEU B 119 10.658 -3.397 -0.756 1.00 0.00 C ATOM 973 CG LEU B 119 9.981 -2.696 -1.947 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.632 -1.224 -1.712 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.867 -2.772 -3.188 1.00 0.00 C ATOM 0 H LEU B 119 11.044 -1.737 0.995 1.00 0.00 H new ATOM 0 HA LEU B 119 8.754 -3.236 0.262 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.618 -2.920 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.866 -4.434 -1.022 1.00 0.00 H new ATOM 0 HG LEU B 119 9.044 -3.236 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.159 -0.815 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.946 -1.143 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.542 -0.665 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.372 -2.271 -4.020 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.820 -2.283 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.043 -3.816 -3.446 1.00 0.00 H new ATOM 987 N SER B 120 10.871 -4.886 2.164 1.00 0.00 N ATOM 988 CA SER B 120 11.011 -6.098 2.990 1.00 0.00 C ATOM 989 C SER B 120 9.897 -6.224 4.048 1.00 0.00 C ATOM 990 O SER B 120 9.279 -7.284 4.177 1.00 0.00 O ATOM 991 CB SER B 120 12.382 -6.127 3.685 1.00 0.00 C ATOM 992 OG SER B 120 13.441 -6.157 2.738 1.00 0.00 O ATOM 0 H SER B 120 11.612 -4.201 2.313 1.00 0.00 H new ATOM 0 HA SER B 120 10.924 -6.946 2.311 1.00 0.00 H new ATOM 0 HB2 SER B 120 12.487 -5.250 4.323 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.445 -7.002 4.332 1.00 0.00 H new ATOM 0 HG SER B 120 13.577 -5.258 2.371 1.00 0.00 H new ATOM 998 N ARG B 121 9.596 -5.148 4.789 1.00 0.00 N ATOM 999 CA ARG B 121 8.596 -5.138 5.878 1.00 0.00 C ATOM 1000 C ARG B 121 7.145 -5.150 5.381 1.00 0.00 C ATOM 1001 O ARG B 121 6.286 -5.751 6.028 1.00 0.00 O ATOM 1002 CB ARG B 121 8.894 -3.979 6.843 1.00 0.00 C ATOM 1003 CG ARG B 121 8.449 -2.590 6.362 1.00 0.00 C ATOM 1004 CD ARG B 121 9.127 -1.462 7.149 1.00 0.00 C ATOM 1005 NE ARG B 121 8.785 -1.506 8.584 1.00 0.00 N ATOM 1006 CZ ARG B 121 9.606 -1.391 9.616 1.00 0.00 C ATOM 1007 NH1 ARG B 121 10.892 -1.203 9.504 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 9.138 -1.481 10.830 1.00 0.00 N ATOM 0 H ARG B 121 10.045 -4.243 4.650 1.00 0.00 H new ATOM 0 HA ARG B 121 8.692 -6.075 6.427 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.408 -4.188 7.796 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.967 -3.953 7.032 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.681 -2.482 5.302 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.367 -2.502 6.462 1.00 0.00 H new ATOM 0 HD2 ARG B 121 10.208 -1.537 7.032 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.827 -0.500 6.734 1.00 0.00 H new ATOM 0 HE ARG B 121 7.799 -1.641 8.807 1.00 0.00 H new ATOM 0 HH11 ARG B 121 11.319 -1.136 8.580 1.00 0.00 H new ATOM 0 HH12 ARG B 121 11.470 -1.122 10.340 1.00 0.00 H new ATOM 0 HH21 ARG B 121 8.142 -1.640 10.982 1.00 0.00 H new ATOM 0 HH22 ARG B 121 9.768 -1.393 11.627 1.00 0.00 H new ATOM 1022 N LEU B 122 6.873 -4.576 4.211 1.00 0.00 N ATOM 1023 CA LEU B 122 5.553 -4.614 3.562 1.00 0.00 C ATOM 1024 C LEU B 122 5.058 -6.043 3.291 1.00 0.00 C ATOM 1025 O LEU B 122 3.863 -6.312 3.412 1.00 0.00 O ATOM 1026 CB LEU B 122 5.582 -3.794 2.257 1.00 0.00 C ATOM 1027 CG LEU B 122 4.931 -2.409 2.396 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.489 -1.513 3.500 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.076 -1.681 1.065 1.00 0.00 C ATOM 0 H LEU B 122 7.571 -4.062 3.674 1.00 0.00 H new ATOM 0 HA LEU B 122 4.843 -4.168 4.258 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.616 -3.671 1.936 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.069 -4.352 1.474 1.00 0.00 H new ATOM 0 HG LEU B 122 3.896 -2.600 2.678 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.954 -0.563 3.503 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.363 -2.004 4.465 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.549 -1.332 3.321 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.621 -0.693 1.139 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.133 -1.576 0.821 1.00 0.00 H new ATOM 0 HD23 LEU B 122 4.578 -2.252 0.282 1.00 0.00 H new ATOM 1041 N SER B 123 5.963 -6.976 2.980 1.00 0.00 N ATOM 1042 CA SER B 123 5.637 -8.392 2.770 1.00 0.00 C ATOM 1043 C SER B 123 5.059 -9.094 4.013 1.00 0.00 C ATOM 1044 O SER B 123 4.356 -10.099 3.883 1.00 0.00 O ATOM 1045 CB SER B 123 6.885 -9.135 2.282 1.00 0.00 C ATOM 1046 OG SER B 123 6.519 -10.387 1.716 1.00 0.00 O ATOM 0 H SER B 123 6.955 -6.768 2.865 1.00 0.00 H new ATOM 0 HA SER B 123 4.849 -8.420 2.017 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.410 -8.532 1.541 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.573 -9.290 3.113 1.00 0.00 H new ATOM 0 HG SER B 123 7.323 -10.853 1.406 1.00 0.00 H new ATOM 1052 N ARG B 124 5.333 -8.571 5.217 1.00 0.00 N ATOM 1053 CA ARG B 124 4.911 -9.144 6.508 1.00 0.00 C ATOM 1054 C ARG B 124 3.439 -8.888 6.855 1.00 0.00 C ATOM 1055 O ARG B 124 2.868 -9.632 7.655 1.00 0.00 O ATOM 1056 CB ARG B 124 5.810 -8.599 7.636 1.00 0.00 C ATOM 1057 CG ARG B 124 7.325 -8.782 7.424 1.00 0.00 C ATOM 1058 CD ARG B 124 7.754 -10.234 7.176 1.00 0.00 C ATOM 1059 NE ARG B 124 7.381 -11.121 8.298 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.269 -12.436 8.270 1.00 0.00 C ATOM 1061 NH1 ARG B 124 7.530 -13.127 7.197 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 6.889 -13.083 9.333 1.00 0.00 N ATOM 0 H ARG B 124 5.871 -7.711 5.325 1.00 0.00 H new ATOM 0 HA ARG B 124 5.018 -10.224 6.411 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.604 -7.536 7.759 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.530 -9.088 8.569 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.638 -8.173 6.576 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.852 -8.404 8.300 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.292 -10.597 6.258 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.833 -10.273 7.026 1.00 0.00 H new ATOM 0 HE ARG B 124 7.189 -10.668 9.191 1.00 0.00 H new ATOM 0 HH11 ARG B 124 7.831 -12.653 6.346 1.00 0.00 H new ATOM 0 HH12 ARG B 124 7.434 -14.142 7.208 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.677 -12.574 10.191 1.00 0.00 H new ATOM 0 HH22 ARG B 124 6.803 -14.099 9.308 1.00 0.00 H new ATOM 1076 N LEU B 125 2.820 -7.864 6.271 1.00 0.00 N ATOM 1077 CA LEU B 125 1.409 -7.510 6.481 1.00 0.00 C ATOM 1078 C LEU B 125 0.462 -8.464 5.730 1.00 0.00 C ATOM 1079 O LEU B 125 0.745 -8.909 4.615 1.00 0.00 O ATOM 1080 CB LEU B 125 1.138 -6.045 6.086 1.00 0.00 C ATOM 1081 CG LEU B 125 1.693 -4.933 7.004 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.431 -5.176 8.489 1.00 0.00 C ATOM 1083 CD2 LEU B 125 3.186 -4.682 6.822 1.00 0.00 C ATOM 0 H LEU B 125 3.295 -7.238 5.620 1.00 0.00 H new ATOM 0 HA LEU B 125 1.206 -7.618 7.546 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.545 -5.888 5.087 1.00 0.00 H new ATOM 0 HB3 LEU B 125 0.058 -5.912 6.015 1.00 0.00 H new ATOM 0 HG LEU B 125 1.139 -4.050 6.684 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.849 -4.355 9.071 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.357 -5.235 8.664 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.900 -6.112 8.793 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.507 -3.889 7.498 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.738 -5.595 7.045 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.382 -4.382 5.792 1.00 0.00 H new ATOM 1095 N SER B 126 -0.696 -8.732 6.334 1.00 0.00 N ATOM 1096 CA SER B 126 -1.828 -9.428 5.701 1.00 0.00 C ATOM 1097 C SER B 126 -2.437 -8.600 4.549 1.00 0.00 C ATOM 1098 O SER B 126 -2.219 -7.389 4.465 1.00 0.00 O ATOM 1099 CB SER B 126 -2.889 -9.739 6.768 1.00 0.00 C ATOM 1100 OG SER B 126 -3.959 -10.512 6.246 1.00 0.00 O ATOM 0 H SER B 126 -0.882 -8.466 7.301 1.00 0.00 H new ATOM 0 HA SER B 126 -1.464 -10.358 5.265 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.424 -10.275 7.595 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.280 -8.806 7.173 1.00 0.00 H new ATOM 0 HG SER B 126 -4.611 -10.690 6.956 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.242 -9.227 3.681 1.00 0.00 N ATOM 1107 CA LYS B 127 -3.890 -8.586 2.518 1.00 0.00 C ATOM 1108 C LYS B 127 -4.783 -7.398 2.901 1.00 0.00 C ATOM 1109 O LYS B 127 -4.803 -6.398 2.184 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.664 -9.666 1.741 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.207 -9.216 0.374 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.108 -8.848 -0.637 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.721 -8.615 -2.022 1.00 0.00 C ATOM 1114 NZ LYS B 127 -3.692 -8.337 -3.055 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.469 -10.218 3.766 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.117 -8.154 1.882 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.009 -10.524 1.591 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.499 -10.005 2.354 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -5.820 -10.014 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.859 -8.355 0.518 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.585 -7.950 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -3.368 -9.647 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.297 -9.493 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -5.418 -7.778 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -4.156 -8.021 -3.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -3.051 -7.592 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -3.148 -9.203 -3.245 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.486 -7.469 4.035 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.270 -6.348 4.571 1.00 0.00 C ATOM 1130 C ASN B 128 -5.366 -5.254 5.177 1.00 0.00 C ATOM 1131 O ASN B 128 -5.644 -4.067 5.019 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.270 -6.918 5.597 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.429 -5.998 5.981 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -9.466 -6.458 6.438 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.345 -4.692 5.812 1.00 0.00 N ATOM 0 H ASN B 128 -5.529 -8.309 4.611 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.817 -5.856 3.766 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.683 -7.844 5.197 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.723 -7.179 6.503 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -9.133 -4.094 6.061 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.492 -4.281 5.433 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.283 -5.641 5.853 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.383 -4.733 6.576 1.00 0.00 C ATOM 1144 C GLN B 129 -2.525 -3.876 5.631 1.00 0.00 C ATOM 1145 O GLN B 129 -2.384 -2.676 5.863 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.491 -5.552 7.518 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.262 -6.213 8.672 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.409 -7.189 9.491 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.381 -7.705 9.057 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.807 -7.507 10.704 1.00 0.00 N ATOM 0 H GLN B 129 -3.998 -6.618 5.916 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.997 -4.040 7.151 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.981 -6.325 6.942 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.720 -4.902 7.932 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.649 -5.437 9.333 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.123 -6.745 8.267 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.657 -7.093 11.087 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.266 -8.168 11.261 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.001 -4.452 4.537 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.290 -3.686 3.501 1.00 0.00 C ATOM 1161 C LEU B 130 -2.197 -2.653 2.811 1.00 0.00 C ATOM 1162 O LEU B 130 -1.737 -1.563 2.465 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.589 -4.631 2.500 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.490 -5.540 1.628 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -1.988 -4.888 0.327 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.703 -6.795 1.233 1.00 0.00 C ATOM 0 H LEU B 130 -2.057 -5.453 4.347 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.511 -3.106 3.995 1.00 0.00 H new ATOM 0 HB2 LEU B 130 0.022 -4.022 1.833 1.00 0.00 H new ATOM 0 HB3 LEU B 130 0.092 -5.271 3.061 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.365 -5.758 2.241 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.611 -5.596 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.572 -3.999 0.566 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.134 -4.606 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.331 -7.440 0.619 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.183 -6.506 0.667 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.400 -7.333 2.132 1.00 0.00 H new ATOM 1178 N MET B 131 -3.492 -2.958 2.660 1.00 0.00 N ATOM 1179 CA MET B 131 -4.475 -2.016 2.112 1.00 0.00 C ATOM 1180 C MET B 131 -4.803 -0.898 3.097 1.00 0.00 C ATOM 1181 O MET B 131 -4.858 0.263 2.695 1.00 0.00 O ATOM 1182 CB MET B 131 -5.752 -2.749 1.678 1.00 0.00 C ATOM 1183 CG MET B 131 -5.522 -3.513 0.370 1.00 0.00 C ATOM 1184 SD MET B 131 -7.033 -4.057 -0.453 1.00 0.00 S ATOM 1185 CE MET B 131 -7.300 -5.653 0.364 1.00 0.00 C ATOM 0 H MET B 131 -3.887 -3.863 2.914 1.00 0.00 H new ATOM 0 HA MET B 131 -4.025 -1.555 1.233 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.062 -3.442 2.460 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.562 -2.032 1.548 1.00 0.00 H new ATOM 0 HG2 MET B 131 -4.960 -2.877 -0.314 1.00 0.00 H new ATOM 0 HG3 MET B 131 -4.902 -4.385 0.577 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.337 -5.961 0.231 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.641 -6.401 -0.075 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.083 -5.558 1.428 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.940 -1.205 4.390 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.116 -0.196 5.430 1.00 0.00 C ATOM 1197 C ALA B 132 -3.903 0.758 5.519 1.00 0.00 C ATOM 1198 O ALA B 132 -4.089 1.974 5.610 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.388 -0.910 6.760 1.00 0.00 C ATOM 0 H ALA B 132 -4.932 -2.162 4.742 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.969 0.436 5.181 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.522 -0.170 7.549 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.291 -1.513 6.671 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.544 -1.554 7.006 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.678 0.240 5.405 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.441 1.032 5.365 1.00 0.00 C ATOM 1207 C LEU B 133 -1.385 1.957 4.136 1.00 0.00 C ATOM 1208 O LEU B 133 -1.148 3.159 4.275 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.248 0.060 5.414 1.00 0.00 C ATOM 1210 CG LEU B 133 1.137 0.728 5.303 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.416 1.677 6.469 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.226 -0.345 5.273 1.00 0.00 C ATOM 0 H LEU B 133 -2.512 -0.764 5.336 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.405 1.697 6.228 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.292 -0.499 6.348 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.353 -0.663 4.605 1.00 0.00 H new ATOM 0 HG LEU B 133 1.141 1.310 4.381 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.403 2.123 6.347 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.662 2.464 6.486 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.383 1.121 7.406 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.204 0.131 5.194 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.182 -0.934 6.189 1.00 0.00 H new ATOM 0 HD23 LEU B 133 2.070 -0.998 4.414 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.646 1.422 2.939 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.642 2.202 1.703 1.00 0.00 C ATOM 1226 C ALA B 134 -2.754 3.276 1.681 1.00 0.00 C ATOM 1227 O ALA B 134 -2.518 4.401 1.243 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.768 1.238 0.521 1.00 0.00 C ATOM 0 H ALA B 134 -1.866 0.435 2.803 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.702 2.750 1.634 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.767 1.803 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.927 0.544 0.526 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.700 0.679 0.605 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.939 2.972 2.217 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.051 3.926 2.356 1.00 0.00 C ATOM 1236 C LEU B 135 -4.725 5.042 3.365 1.00 0.00 C ATOM 1237 O LEU B 135 -4.983 6.213 3.082 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.318 3.122 2.727 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.687 3.832 2.682 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.923 4.854 3.792 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.936 4.494 1.328 1.00 0.00 C ATOM 0 H LEU B 135 -4.160 2.042 2.573 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.225 4.447 1.415 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.370 2.261 2.060 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.180 2.735 3.737 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.402 3.026 2.846 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.912 5.298 3.674 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.861 4.359 4.761 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.165 5.635 3.734 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.910 4.983 1.336 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.159 5.235 1.137 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.917 3.737 0.544 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.085 4.716 4.497 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.573 5.689 5.478 1.00 0.00 C ATOM 1255 C LYS B 136 -2.569 6.658 4.845 1.00 0.00 C ATOM 1256 O LYS B 136 -2.719 7.872 4.979 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.989 4.926 6.681 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.501 5.873 7.789 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.065 5.135 9.065 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.867 4.202 8.829 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.427 3.550 10.092 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.904 3.748 4.764 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.393 6.314 5.833 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.747 4.256 7.086 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.159 4.304 6.346 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.664 6.462 7.413 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.298 6.574 8.036 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.806 5.865 9.832 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.903 4.553 9.448 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.137 3.439 8.099 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -0.040 4.771 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.383 2.927 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.146 4.278 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.210 2.988 10.483 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.608 6.145 4.076 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.685 6.959 3.274 1.00 0.00 C ATOM 1277 C LEU B 137 -1.426 7.829 2.246 1.00 0.00 C ATOM 1278 O LEU B 137 -1.061 8.994 2.066 1.00 0.00 O ATOM 1279 CB LEU B 137 0.321 6.039 2.556 1.00 0.00 C ATOM 1280 CG LEU B 137 1.690 5.904 3.240 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.627 5.390 4.680 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.537 4.930 2.429 1.00 0.00 C ATOM 0 H LEU B 137 -1.444 5.142 3.989 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.159 7.632 3.951 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.120 5.047 2.464 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.474 6.415 1.544 1.00 0.00 H new ATOM 0 HG LEU B 137 2.116 6.907 3.281 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.636 5.325 5.087 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.035 6.076 5.286 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.165 4.403 4.694 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.515 4.820 2.898 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.041 3.960 2.392 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.662 5.313 1.416 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.469 7.302 1.590 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.232 8.036 0.567 1.00 0.00 C ATOM 1296 C LYS B 138 -3.996 9.223 1.160 1.00 0.00 C ATOM 1297 O LYS B 138 -3.840 10.341 0.672 1.00 0.00 O ATOM 1298 CB LYS B 138 -4.150 7.087 -0.230 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.730 7.735 -1.502 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.639 8.211 -2.476 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.197 8.649 -3.830 1.00 0.00 C ATOM 1302 NZ LYS B 138 -3.097 9.034 -4.753 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.809 6.354 1.753 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.515 8.458 -0.137 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.588 6.195 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.969 6.761 0.410 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.375 7.017 -2.008 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.355 8.583 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -3.096 9.043 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.920 7.406 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.779 7.838 -4.268 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.876 9.491 -3.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.497 9.328 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.558 9.822 -4.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.465 8.221 -4.898 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.754 9.026 2.241 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.486 10.131 2.884 1.00 0.00 C ATOM 1318 C GLN B 139 -4.542 11.190 3.482 1.00 0.00 C ATOM 1319 O GLN B 139 -4.870 12.376 3.470 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.514 9.597 3.900 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.917 8.955 5.155 1.00 0.00 C ATOM 1322 CD GLN B 139 -7.003 8.534 6.141 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.584 9.337 6.865 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.328 7.261 6.218 1.00 0.00 N ATOM 0 H GLN B 139 -4.880 8.119 2.691 1.00 0.00 H new ATOM 0 HA GLN B 139 -6.048 10.650 2.108 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.161 10.420 4.205 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.146 8.862 3.401 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.324 8.085 4.873 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.240 9.659 5.638 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.857 6.578 5.625 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.051 6.958 6.871 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.343 10.798 3.937 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.296 11.729 4.371 1.00 0.00 C ATOM 1335 C GLN B 140 -1.825 12.638 3.222 1.00 0.00 C ATOM 1336 O GLN B 140 -1.856 13.858 3.374 1.00 0.00 O ATOM 1337 CB GLN B 140 -1.115 10.963 4.981 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.413 10.439 6.400 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.412 9.389 6.894 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.494 8.935 6.202 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.528 8.964 8.130 1.00 0.00 N ATOM 0 H GLN B 140 -3.072 9.818 4.014 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.726 12.374 5.137 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.859 10.123 4.335 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.243 11.616 5.015 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.416 11.279 7.094 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.414 10.009 6.416 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.273 9.326 8.726 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.126 8.272 8.495 1.00 0.00 H new