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+ -159:sc= 1.06 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.85 K(o=3.7,f=-2) USER MOD Set 1.3: B 140 GLN : amide:sc= 0.82 K(o=3.7,f=-2) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0.452 USER MOD Set 2.2: B 127 LYS NZ :NH3+ -149:sc= 0.827 (180deg=1.08) 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 74:sc= 0.731 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00051 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.709 (180deg=0.639) USER MOD Single : A 28 ASN : amide:sc= 0.0853 K(o=0.085,f=-2.8!) USER MOD Single : A 29 GLN : amide:sc= 0.585 K(o=0.59,f=-4.4!) USER MOD Single : A 31 MET CE :methyl 152:sc= -0.0854 (180deg=-0.21) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.507 K(o=-0.51,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 30:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= -0.0163 USER MOD Single : B 128 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 129 GLN : amide:sc= 0.602 K(o=0.6,f=-4.1!) USER MOD Single : B 131 MET CE :methyl 148:sc= -0.0807 (180deg=-0.193) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.375 7.499 -1.920 1.00 0.00 N ATOM 165 CA TRP A 14 -13.155 7.255 -2.700 1.00 0.00 C ATOM 166 C TRP A 14 -12.276 6.158 -2.076 1.00 0.00 C ATOM 167 O TRP A 14 -11.626 5.405 -2.799 1.00 0.00 O ATOM 168 CB TRP A 14 -12.376 8.571 -2.878 1.00 0.00 C ATOM 169 CG TRP A 14 -11.577 9.102 -1.718 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.924 10.151 -0.938 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.263 8.673 -1.226 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.927 10.399 -0.009 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.897 9.494 -0.117 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.336 7.675 -1.603 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.703 9.315 0.603 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.135 7.478 -0.895 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.818 8.293 0.209 1.00 0.00 C ATOM 0 HA TRP A 14 -13.450 6.887 -3.683 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.693 8.439 -3.717 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.091 9.341 -3.167 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.842 10.712 -1.026 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -10.953 11.159 0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.554 7.048 -2.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.468 9.951 1.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.453 6.698 -1.200 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.898 8.134 0.752 1.00 0.00 H new ATOM 188 N LYS A 15 -12.309 6.035 -0.744 1.00 0.00 N ATOM 189 CA LYS A 15 -11.506 5.095 0.051 1.00 0.00 C ATOM 190 C LYS A 15 -11.865 3.629 -0.221 1.00 0.00 C ATOM 191 O LYS A 15 -10.976 2.788 -0.336 1.00 0.00 O ATOM 192 CB LYS A 15 -11.671 5.441 1.541 1.00 0.00 C ATOM 193 CG LYS A 15 -11.196 6.872 1.854 1.00 0.00 C ATOM 194 CD LYS A 15 -11.443 7.251 3.317 1.00 0.00 C ATOM 195 CE LYS A 15 -10.999 8.698 3.545 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.296 9.155 4.927 1.00 0.00 N1+ ATOM 0 H LYS A 15 -12.921 6.611 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.462 5.203 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.718 5.336 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.105 4.731 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.132 6.958 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.715 7.577 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.500 7.140 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.892 6.581 3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.929 8.784 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.502 9.350 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.981 10.139 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.320 9.097 5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.795 8.549 5.608 1.00 0.00 H new ATOM 210 N ASP A 16 -13.155 3.328 -0.389 1.00 0.00 N ATOM 211 CA ASP A 16 -13.638 1.984 -0.731 1.00 0.00 C ATOM 212 C ASP A 16 -13.256 1.589 -2.165 1.00 0.00 C ATOM 213 O ASP A 16 -12.836 0.455 -2.401 1.00 0.00 O ATOM 214 CB ASP A 16 -15.160 1.897 -0.557 1.00 0.00 C ATOM 215 CG ASP A 16 -15.671 2.114 0.882 1.00 0.00 C ATOM 216 OD1 ASP A 16 -16.893 2.346 1.042 1.00 0.00 O ATOM 217 OD2 ASP A 16 -14.890 2.024 1.861 1.00 0.00 O1- ATOM 0 H ASP A 16 -13.902 4.015 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.156 1.285 -0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.627 2.638 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.493 0.917 -0.900 1.00 0.00 H new ATOM 222 N ASP A 17 -13.311 2.534 -3.111 1.00 0.00 N ATOM 223 CA ASP A 17 -12.817 2.327 -4.483 1.00 0.00 C ATOM 224 C ASP A 17 -11.284 2.165 -4.518 1.00 0.00 C ATOM 225 O ASP A 17 -10.764 1.382 -5.318 1.00 0.00 O ATOM 226 CB ASP A 17 -13.256 3.487 -5.395 1.00 0.00 C ATOM 227 CG ASP A 17 -14.776 3.614 -5.607 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.538 2.645 -5.366 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.224 4.693 -6.070 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.698 3.464 -2.950 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.256 1.401 -4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.885 4.421 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.778 3.365 -6.367 1.00 0.00 H new ATOM 234 N TYR A 18 -10.549 2.839 -3.629 1.00 0.00 N ATOM 235 CA TYR A 18 -9.097 2.695 -3.508 1.00 0.00 C ATOM 236 C TYR A 18 -8.712 1.302 -2.978 1.00 0.00 C ATOM 237 O TYR A 18 -7.867 0.636 -3.568 1.00 0.00 O ATOM 238 CB TYR A 18 -8.511 3.832 -2.654 1.00 0.00 C ATOM 239 CG TYR A 18 -7.076 4.171 -3.025 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.002 3.815 -2.187 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.828 4.841 -4.238 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.678 4.114 -2.567 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.510 5.124 -4.636 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.431 4.751 -3.807 1.00 0.00 C ATOM 245 OH TYR A 18 -3.156 5.012 -4.207 1.00 0.00 O ATOM 0 H TYR A 18 -10.949 3.505 -2.968 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.658 2.777 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.130 4.722 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.552 3.548 -1.602 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.193 3.312 -1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.655 5.139 -4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.856 3.858 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.324 5.626 -5.574 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.171 5.452 -5.083 1.00 0.00 H new ATOM 255 N LEU A 19 -9.392 0.797 -1.939 1.00 0.00 N ATOM 256 CA LEU A 19 -9.255 -0.601 -1.499 1.00 0.00 C ATOM 257 C LEU A 19 -9.614 -1.589 -2.623 1.00 0.00 C ATOM 258 O LEU A 19 -8.895 -2.569 -2.837 1.00 0.00 O ATOM 259 CB LEU A 19 -10.136 -0.830 -0.256 1.00 0.00 C ATOM 260 CG LEU A 19 -9.373 -0.720 1.073 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.663 0.618 1.286 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.333 -0.929 2.242 1.00 0.00 C ATOM 0 H LEU A 19 -10.050 1.342 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.212 -0.786 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.948 -0.103 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.592 -1.818 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.606 -1.493 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.150 0.609 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.936 0.775 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.396 1.425 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.785 -0.850 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.114 -0.169 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.786 -1.918 2.169 1.00 0.00 H new ATOM 274 N SER A 20 -10.678 -1.325 -3.387 1.00 0.00 N ATOM 275 CA SER A 20 -11.104 -2.187 -4.499 1.00 0.00 C ATOM 276 C SER A 20 -10.053 -2.300 -5.613 1.00 0.00 C ATOM 277 O SER A 20 -9.866 -3.396 -6.154 1.00 0.00 O ATOM 278 CB SER A 20 -12.433 -1.706 -5.090 1.00 0.00 C ATOM 279 OG SER A 20 -13.482 -1.772 -4.131 1.00 0.00 O ATOM 0 H SER A 20 -11.271 -0.506 -3.253 1.00 0.00 H new ATOM 0 HA SER A 20 -11.232 -3.182 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.326 -0.681 -5.444 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.690 -2.317 -5.955 1.00 0.00 H new ATOM 0 HG SER A 20 -13.371 -1.053 -3.474 1.00 0.00 H new ATOM 285 N ARG A 21 -9.323 -1.219 -5.945 1.00 0.00 N ATOM 286 CA ARG A 21 -8.228 -1.256 -6.934 1.00 0.00 C ATOM 287 C ARG A 21 -6.925 -1.830 -6.365 1.00 0.00 C ATOM 288 O ARG A 21 -6.255 -2.596 -7.055 1.00 0.00 O ATOM 289 CB ARG A 21 -8.056 0.113 -7.627 1.00 0.00 C ATOM 290 CG ARG A 21 -7.235 1.166 -6.857 1.00 0.00 C ATOM 291 CD ARG A 21 -7.138 2.500 -7.608 1.00 0.00 C ATOM 292 NE ARG A 21 -6.303 2.392 -8.825 1.00 0.00 N ATOM 293 CZ ARG A 21 -6.122 3.328 -9.742 1.00 0.00 C ATOM 294 NH1 ARG A 21 -6.690 4.497 -9.664 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -5.356 3.107 -10.770 1.00 0.00 N ATOM 0 H ARG A 21 -9.475 -0.297 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.516 -1.962 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.583 -0.050 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.046 0.525 -7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.690 1.335 -5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.232 0.780 -6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.138 2.835 -7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.719 3.259 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.818 1.507 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.299 4.717 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.526 5.193 -10.391 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.889 2.206 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.222 3.835 -11.472 1.00 0.00 H new ATOM 309 N LEU A 22 -6.585 -1.533 -5.106 1.00 0.00 N ATOM 310 CA LEU A 22 -5.362 -2.019 -4.443 1.00 0.00 C ATOM 311 C LEU A 22 -5.324 -3.552 -4.328 1.00 0.00 C ATOM 312 O LEU A 22 -4.271 -4.154 -4.537 1.00 0.00 O ATOM 313 CB LEU A 22 -5.251 -1.372 -3.051 1.00 0.00 C ATOM 314 CG LEU A 22 -4.347 -0.127 -2.960 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.548 0.923 -4.052 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.575 0.536 -1.601 1.00 0.00 C ATOM 0 H LEU A 22 -7.158 -0.939 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.509 -1.732 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.252 -1.096 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.878 -2.120 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.330 -0.494 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.861 1.753 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.353 0.476 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.574 1.289 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.943 1.420 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.621 0.827 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.323 -0.167 -0.807 1.00 0.00 H new ATOM 328 N SER A 23 -6.462 -4.189 -4.047 1.00 0.00 N ATOM 329 CA SER A 23 -6.568 -5.654 -3.940 1.00 0.00 C ATOM 330 C SER A 23 -6.202 -6.406 -5.237 1.00 0.00 C ATOM 331 O SER A 23 -5.853 -7.591 -5.189 1.00 0.00 O ATOM 332 CB SER A 23 -7.984 -6.029 -3.478 1.00 0.00 C ATOM 333 OG SER A 23 -8.051 -7.397 -3.101 1.00 0.00 O ATOM 0 H SER A 23 -7.345 -3.704 -3.885 1.00 0.00 H new ATOM 0 HA SER A 23 -5.830 -5.971 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.274 -5.401 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.696 -5.834 -4.280 1.00 0.00 H new ATOM 0 HG SER A 23 -8.962 -7.612 -2.809 1.00 0.00 H new ATOM 339 N ARG A 24 -6.242 -5.739 -6.402 1.00 0.00 N ATOM 340 CA ARG A 24 -5.930 -6.342 -7.715 1.00 0.00 C ATOM 341 C ARG A 24 -4.427 -6.558 -7.972 1.00 0.00 C ATOM 342 O ARG A 24 -4.079 -7.375 -8.828 1.00 0.00 O ATOM 343 CB ARG A 24 -6.518 -5.478 -8.848 1.00 0.00 C ATOM 344 CG ARG A 24 -8.015 -5.125 -8.708 1.00 0.00 C ATOM 345 CD ARG A 24 -8.946 -6.331 -8.528 1.00 0.00 C ATOM 346 NE ARG A 24 -8.937 -7.220 -9.709 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.691 -8.289 -9.890 1.00 0.00 C ATOM 348 NH1 ARG A 24 -10.548 -8.705 -9.001 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.596 -8.972 -10.993 1.00 0.00 N ATOM 0 H ARG A 24 -6.495 -4.753 -6.463 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.388 -7.331 -7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.948 -4.551 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.373 -6.002 -9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.138 -4.458 -7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.328 -4.571 -9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.641 -6.896 -7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.962 -5.980 -8.346 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.285 -6.985 -10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.657 -8.199 -8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.110 -9.537 -9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.939 -8.682 -11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.178 -9.798 -11.133 1.00 0.00 H new ATOM 363 N LEU A 25 -3.543 -5.832 -7.278 1.00 0.00 N ATOM 364 CA LEU A 25 -2.086 -5.910 -7.475 1.00 0.00 C ATOM 365 C LEU A 25 -1.474 -7.199 -6.889 1.00 0.00 C ATOM 366 O LEU A 25 -1.901 -7.695 -5.842 1.00 0.00 O ATOM 367 CB LEU A 25 -1.384 -4.668 -6.883 1.00 0.00 C ATOM 368 CG LEU A 25 -1.543 -3.314 -7.614 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.554 -3.416 -9.139 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.783 -2.556 -7.167 1.00 0.00 C ATOM 0 H LEU A 25 -3.819 -5.166 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.920 -5.936 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.744 -4.538 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.318 -4.888 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.648 -2.763 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.669 -2.421 -9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.616 -3.853 -9.481 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.385 -4.047 -9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.848 -1.613 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.670 -3.155 -7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.721 -2.355 -6.097 1.00 0.00 H new ATOM 382 N SER A 26 -0.433 -7.708 -7.557 1.00 0.00 N ATOM 383 CA SER A 26 0.446 -8.779 -7.061 1.00 0.00 C ATOM 384 C SER A 26 1.372 -8.290 -5.930 1.00 0.00 C ATOM 385 O SER A 26 1.492 -7.086 -5.692 1.00 0.00 O ATOM 386 CB SER A 26 1.252 -9.361 -8.231 1.00 0.00 C ATOM 387 OG SER A 26 1.964 -10.526 -7.847 1.00 0.00 O ATOM 0 H SER A 26 -0.169 -7.378 -8.485 1.00 0.00 H new ATOM 0 HA SER A 26 -0.176 -9.563 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.578 -9.600 -9.054 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.952 -8.611 -8.600 1.00 0.00 H new ATOM 0 HG SER A 26 2.465 -10.872 -8.615 1.00 0.00 H new ATOM 393 N LYS A 27 2.044 -9.207 -5.222 1.00 0.00 N ATOM 394 CA LYS A 27 2.837 -8.930 -4.006 1.00 0.00 C ATOM 395 C LYS A 27 3.950 -7.891 -4.209 1.00 0.00 C ATOM 396 O LYS A 27 4.183 -7.059 -3.335 1.00 0.00 O ATOM 397 CB LYS A 27 3.428 -10.260 -3.486 1.00 0.00 C ATOM 398 CG LYS A 27 3.960 -10.191 -2.045 1.00 0.00 C ATOM 399 CD LYS A 27 2.861 -10.019 -0.980 1.00 0.00 C ATOM 400 CE LYS A 27 3.489 -10.065 0.417 1.00 0.00 C ATOM 401 NZ LYS A 27 2.481 -9.930 1.499 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.054 -10.193 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 27 2.161 -8.490 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.661 -11.032 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.239 -10.568 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.520 -11.102 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.661 -9.360 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.344 -9.071 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.116 -10.808 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.025 -11.006 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.224 -9.265 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.965 -9.797 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.873 -9.108 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.898 -10.790 1.539 1.00 0.00 H new ATOM 415 N ASN A 28 4.613 -7.911 -5.357 1.00 0.00 N ATOM 416 CA ASN A 28 5.635 -6.923 -5.731 1.00 0.00 C ATOM 417 C ASN A 28 5.032 -5.569 -6.158 1.00 0.00 C ATOM 418 O ASN A 28 5.554 -4.509 -5.809 1.00 0.00 O ATOM 419 CB ASN A 28 6.540 -7.549 -6.806 1.00 0.00 C ATOM 420 CG ASN A 28 5.873 -7.806 -8.155 1.00 0.00 C ATOM 421 OD1 ASN A 28 4.738 -8.242 -8.253 1.00 0.00 O ATOM 422 ND2 ASN A 28 6.559 -7.531 -9.242 1.00 0.00 N ATOM 0 H ASN A 28 4.459 -8.623 -6.071 1.00 0.00 H new ATOM 0 HA ASN A 28 6.239 -6.679 -4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.397 -6.893 -6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.927 -8.494 -6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.142 -7.682 -10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.509 -7.166 -9.167 1.00 0.00 H new ATOM 429 N GLN A 29 3.898 -5.597 -6.870 1.00 0.00 N ATOM 430 CA GLN A 29 3.193 -4.411 -7.365 1.00 0.00 C ATOM 431 C GLN A 29 2.535 -3.586 -6.244 1.00 0.00 C ATOM 432 O GLN A 29 2.622 -2.353 -6.263 1.00 0.00 O ATOM 433 CB GLN A 29 2.129 -4.847 -8.384 1.00 0.00 C ATOM 434 CG GLN A 29 2.706 -5.433 -9.687 1.00 0.00 C ATOM 435 CD GLN A 29 1.651 -6.143 -10.534 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.579 -6.535 -10.085 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.917 -6.366 -11.803 1.00 0.00 N ATOM 0 H GLN A 29 3.434 -6.469 -7.124 1.00 0.00 H new ATOM 0 HA GLN A 29 3.935 -3.764 -7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.481 -5.590 -7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.504 -3.988 -8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.156 -4.631 -10.272 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.503 -6.136 -9.443 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.801 -6.051 -12.202 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.239 -6.854 -12.388 1.00 0.00 H new ATOM 446 N LEU A 30 1.928 -4.231 -5.237 1.00 0.00 N ATOM 447 CA LEU A 30 1.361 -3.538 -4.068 1.00 0.00 C ATOM 448 C LEU A 30 2.439 -2.836 -3.227 1.00 0.00 C ATOM 449 O LEU A 30 2.183 -1.765 -2.673 1.00 0.00 O ATOM 450 CB LEU A 30 0.471 -4.490 -3.242 1.00 0.00 C ATOM 451 CG LEU A 30 1.145 -5.707 -2.576 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.778 -5.427 -1.204 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.116 -6.827 -2.386 1.00 0.00 C ATOM 0 H LEU A 30 1.816 -5.244 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 30 0.716 -2.739 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.010 -3.904 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.319 -4.860 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 30 1.952 -5.986 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.226 -6.342 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.547 -4.662 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.010 -5.078 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.595 -7.685 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.696 -6.471 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.284 -7.122 -3.356 1.00 0.00 H new ATOM 465 N MET A 31 3.660 -3.384 -3.180 1.00 0.00 N ATOM 466 CA MET A 31 4.794 -2.750 -2.504 1.00 0.00 C ATOM 467 C MET A 31 5.363 -1.576 -3.307 1.00 0.00 C ATOM 468 O MET A 31 5.655 -0.541 -2.713 1.00 0.00 O ATOM 469 CB MET A 31 5.880 -3.777 -2.196 1.00 0.00 C ATOM 470 CG MET A 31 5.432 -4.740 -1.093 1.00 0.00 C ATOM 471 SD MET A 31 6.770 -5.706 -0.356 1.00 0.00 S ATOM 472 CE MET A 31 6.847 -7.081 -1.529 1.00 0.00 C ATOM 0 H MET A 31 3.887 -4.280 -3.611 1.00 0.00 H new ATOM 0 HA MET A 31 4.424 -2.343 -1.563 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.119 -4.339 -3.099 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.792 -3.265 -1.888 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.938 -4.169 -0.307 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.690 -5.424 -1.504 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.859 -7.485 -1.550 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.151 -7.861 -1.221 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.577 -6.726 -2.524 1.00 0.00 H new ATOM 482 N ALA A 32 5.451 -1.685 -4.637 1.00 0.00 N ATOM 483 CA ALA A 32 5.815 -0.566 -5.506 1.00 0.00 C ATOM 484 C ALA A 32 4.809 0.601 -5.395 1.00 0.00 C ATOM 485 O ALA A 32 5.214 1.761 -5.311 1.00 0.00 O ATOM 486 CB ALA A 32 5.933 -1.085 -6.946 1.00 0.00 C ATOM 0 H ALA A 32 5.271 -2.554 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 32 6.776 -0.160 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.204 -0.263 -7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.701 -1.857 -6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.978 -1.504 -7.261 1.00 0.00 H new ATOM 492 N LEU A 33 3.506 0.299 -5.323 1.00 0.00 N ATOM 493 CA LEU A 33 2.434 1.273 -5.092 1.00 0.00 C ATOM 494 C LEU A 33 2.585 1.969 -3.729 1.00 0.00 C ATOM 495 O LEU A 33 2.613 3.200 -3.663 1.00 0.00 O ATOM 496 CB LEU A 33 1.084 0.545 -5.278 1.00 0.00 C ATOM 497 CG LEU A 33 -0.225 1.351 -5.129 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.577 1.723 -3.687 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.229 2.617 -5.982 1.00 0.00 C ATOM 0 H LEU A 33 3.160 -0.655 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 33 2.487 2.086 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.085 0.098 -6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.050 -0.275 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.992 0.664 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.510 2.287 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.694 0.815 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.221 2.332 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.171 3.147 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.598 3.260 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.117 2.348 -7.032 1.00 0.00 H new ATOM 511 N ALA A 34 2.732 1.205 -2.641 1.00 0.00 N ATOM 512 CA ALA A 34 2.890 1.763 -1.294 1.00 0.00 C ATOM 513 C ALA A 34 4.193 2.572 -1.128 1.00 0.00 C ATOM 514 O ALA A 34 4.183 3.625 -0.489 1.00 0.00 O ATOM 515 CB ALA A 34 2.795 0.612 -0.293 1.00 0.00 C ATOM 0 H ALA A 34 2.745 0.185 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 34 2.093 2.483 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.909 1.000 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.824 0.126 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.584 -0.112 -0.495 1.00 0.00 H new ATOM 521 N LEU A 35 5.299 2.142 -1.749 1.00 0.00 N ATOM 522 CA LEU A 35 6.574 2.870 -1.754 1.00 0.00 C ATOM 523 C LEU A 35 6.470 4.192 -2.534 1.00 0.00 C ATOM 524 O LEU A 35 6.926 5.225 -2.050 1.00 0.00 O ATOM 525 CB LEU A 35 7.669 1.912 -2.275 1.00 0.00 C ATOM 526 CG LEU A 35 9.142 2.337 -2.164 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.549 3.495 -3.074 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.525 2.682 -0.728 1.00 0.00 C ATOM 0 H LEU A 35 5.333 1.266 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 35 6.847 3.178 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.558 0.966 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.461 1.715 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 35 9.690 1.458 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.605 3.722 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.382 3.216 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.951 4.374 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.574 2.977 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.904 3.505 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.371 1.811 -0.091 1.00 0.00 H new ATOM 540 N LYS A 36 5.795 4.190 -3.696 1.00 0.00 N ATOM 541 CA LYS A 36 5.473 5.401 -4.469 1.00 0.00 C ATOM 542 C LYS A 36 4.664 6.397 -3.633 1.00 0.00 C ATOM 543 O LYS A 36 5.029 7.572 -3.563 1.00 0.00 O ATOM 544 CB LYS A 36 4.748 5.003 -5.767 1.00 0.00 C ATOM 545 CG LYS A 36 4.439 6.215 -6.664 1.00 0.00 C ATOM 546 CD LYS A 36 3.859 5.820 -8.033 1.00 0.00 C ATOM 547 CE LYS A 36 2.506 5.106 -7.913 1.00 0.00 C ATOM 548 NZ LYS A 36 1.939 4.800 -9.252 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.453 3.333 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 36 6.398 5.911 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.363 4.293 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.818 4.493 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.733 6.868 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.353 6.790 -6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.742 6.714 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.565 5.170 -8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.628 4.182 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.810 5.732 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.025 4.318 -9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.801 5.685 -9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.594 4.183 -9.774 1.00 0.00 H new ATOM 562 N LEU A 37 3.630 5.933 -2.929 1.00 0.00 N ATOM 563 CA LEU A 37 2.864 6.738 -1.971 1.00 0.00 C ATOM 564 C LEU A 37 3.746 7.272 -0.823 1.00 0.00 C ATOM 565 O LEU A 37 3.579 8.422 -0.414 1.00 0.00 O ATOM 566 CB LEU A 37 1.706 5.884 -1.408 1.00 0.00 C ATOM 567 CG LEU A 37 0.333 6.162 -2.035 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.286 6.008 -3.554 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.680 5.193 -1.427 1.00 0.00 C ATOM 0 H LEU A 37 3.295 4.973 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 37 2.468 7.608 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.948 4.831 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.639 6.052 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 37 0.104 7.206 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.721 6.223 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.989 6.703 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.556 4.987 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.663 5.375 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.375 4.168 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.726 5.344 -0.348 1.00 0.00 H new ATOM 581 N LYS A 38 4.691 6.470 -0.308 1.00 0.00 N ATOM 582 CA LYS A 38 5.572 6.884 0.791 1.00 0.00 C ATOM 583 C LYS A 38 6.570 7.966 0.373 1.00 0.00 C ATOM 584 O LYS A 38 6.690 8.972 1.070 1.00 0.00 O ATOM 585 CB LYS A 38 6.272 5.662 1.412 1.00 0.00 C ATOM 586 CG LYS A 38 6.972 5.979 2.746 1.00 0.00 C ATOM 587 CD LYS A 38 6.017 6.532 3.816 1.00 0.00 C ATOM 588 CE LYS A 38 6.703 6.697 5.177 1.00 0.00 C ATOM 589 NZ LYS A 38 5.758 7.236 6.188 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.864 5.521 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 38 4.944 7.341 1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.537 4.873 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.007 5.274 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.445 5.073 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.767 6.704 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.627 7.496 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.164 5.862 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.090 5.735 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.557 7.367 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.293 7.667 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.150 7.955 5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.168 6.464 6.558 1.00 0.00 H new ATOM 603 N GLN A 39 7.235 7.823 -0.775 1.00 0.00 N ATOM 604 CA GLN A 39 8.149 8.867 -1.262 1.00 0.00 C ATOM 605 C GLN A 39 7.401 10.164 -1.619 1.00 0.00 C ATOM 606 O GLN A 39 7.932 11.246 -1.392 1.00 0.00 O ATOM 607 CB GLN A 39 9.050 8.357 -2.407 1.00 0.00 C ATOM 608 CG GLN A 39 8.319 8.067 -3.722 1.00 0.00 C ATOM 609 CD GLN A 39 9.268 7.659 -4.844 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.604 8.439 -5.727 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.748 6.432 -4.861 1.00 0.00 N ATOM 0 H GLN A 39 7.162 7.006 -1.381 1.00 0.00 H new ATOM 0 HA GLN A 39 8.819 9.120 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.827 9.098 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.551 7.446 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.591 7.272 -3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.762 8.953 -4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.479 5.769 -4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.388 6.145 -5.601 1.00 0.00 H new ATOM 620 N GLN A 40 6.147 10.091 -2.095 1.00 0.00 N ATOM 621 CA GLN A 40 5.316 11.277 -2.377 1.00 0.00 C ATOM 622 C GLN A 40 5.072 12.138 -1.124 1.00 0.00 C ATOM 623 O GLN A 40 5.207 13.362 -1.185 1.00 0.00 O ATOM 624 CB GLN A 40 3.973 10.840 -2.981 1.00 0.00 C ATOM 625 CG GLN A 40 4.087 10.516 -4.481 1.00 0.00 C ATOM 626 CD GLN A 40 2.863 9.789 -5.047 1.00 0.00 C ATOM 627 OE1 GLN A 40 1.939 9.385 -4.347 1.00 0.00 O ATOM 628 NE2 GLN A 40 2.809 9.589 -6.345 1.00 0.00 N ATOM 0 H GLN A 40 5.679 9.207 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 40 5.863 11.894 -3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.606 9.963 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.237 11.631 -2.837 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.236 11.443 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.972 9.901 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.567 9.917 -6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.009 9.106 -6.754 1.00 0.00 H new ATOM 637 N GLN A 41 4.728 11.524 0.014 1.00 0.00 N ATOM 638 CA GLN A 41 4.508 12.246 1.285 1.00 0.00 C ATOM 639 C GLN A 41 5.812 12.715 1.965 1.00 0.00 C ATOM 640 O GLN A 41 5.771 13.659 2.759 1.00 0.00 O ATOM 641 CB GLN A 41 3.600 11.421 2.223 1.00 0.00 C ATOM 642 CG GLN A 41 4.207 10.110 2.740 1.00 0.00 C ATOM 643 CD GLN A 41 3.463 9.524 3.938 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.053 9.190 4.957 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.160 9.371 3.874 1.00 0.00 N ATOM 0 H GLN A 41 4.593 10.516 0.086 1.00 0.00 H new ATOM 0 HA GLN A 41 3.986 13.172 1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.332 12.040 3.079 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.675 11.190 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.212 9.378 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.246 10.285 3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.655 9.645 3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.653 8.978 4.667 1.00 0.00 H new ATOM 901 N LYS B 115 14.306 2.514 1.173 1.00 0.00 N ATOM 902 CA LYS B 115 13.300 1.927 0.270 1.00 0.00 C ATOM 903 C LYS B 115 13.279 0.401 0.358 1.00 0.00 C ATOM 904 O LYS B 115 12.211 -0.191 0.483 1.00 0.00 O ATOM 905 CB LYS B 115 13.563 2.375 -1.180 1.00 0.00 C ATOM 906 CG LYS B 115 13.473 3.897 -1.367 1.00 0.00 C ATOM 907 CD LYS B 115 13.777 4.282 -2.823 1.00 0.00 C ATOM 908 CE LYS B 115 13.731 5.807 -2.988 1.00 0.00 C ATOM 909 NZ LYS B 115 14.293 6.245 -4.293 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.321 2.287 0.586 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.553 2.036 -1.485 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.843 1.891 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.476 4.244 -1.094 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.177 4.393 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.760 3.907 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.052 3.815 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.700 6.149 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.289 6.276 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.242 7.281 -4.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.285 5.941 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.745 5.819 -5.067 1.00 0.00 H new ATOM 923 N ASP B 116 14.455 -0.224 0.366 1.00 0.00 N ATOM 924 CA ASP B 116 14.604 -1.675 0.531 1.00 0.00 C ATOM 925 C ASP B 116 14.159 -2.129 1.939 1.00 0.00 C ATOM 926 O ASP B 116 13.455 -3.131 2.078 1.00 0.00 O ATOM 927 CB ASP B 116 16.068 -2.054 0.259 1.00 0.00 C ATOM 928 CG ASP B 116 16.316 -3.570 0.188 1.00 0.00 C ATOM 929 OD1 ASP B 116 15.411 -4.339 -0.218 1.00 0.00 O ATOM 930 OD2 ASP B 116 17.452 -4.008 0.495 1.00 0.00 O1- ATOM 0 H ASP B 116 15.343 0.265 0.257 1.00 0.00 H new ATOM 0 HA ASP B 116 13.959 -2.188 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.382 -1.600 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.695 -1.629 1.043 1.00 0.00 H new ATOM 935 N ASP B 117 14.478 -1.345 2.976 1.00 0.00 N ATOM 936 CA ASP B 117 13.977 -1.569 4.338 1.00 0.00 C ATOM 937 C ASP B 117 12.443 -1.432 4.432 1.00 0.00 C ATOM 938 O ASP B 117 11.795 -2.197 5.154 1.00 0.00 O ATOM 939 CB ASP B 117 14.662 -0.614 5.340 1.00 0.00 C ATOM 940 CG ASP B 117 16.180 -0.825 5.513 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.730 -1.888 5.130 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.832 0.073 6.104 1.00 0.00 O1- ATOM 0 H ASP B 117 15.093 -0.535 2.894 1.00 0.00 H new ATOM 0 HA ASP B 117 14.228 -2.597 4.599 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.488 0.412 5.017 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.182 -0.727 6.312 1.00 0.00 H new ATOM 947 N TYR B 118 11.835 -0.501 3.682 1.00 0.00 N ATOM 948 CA TYR B 118 10.379 -0.322 3.647 1.00 0.00 C ATOM 949 C TYR B 118 9.689 -1.506 2.952 1.00 0.00 C ATOM 950 O TYR B 118 8.764 -2.090 3.510 1.00 0.00 O ATOM 951 CB TYR B 118 10.030 1.033 3.007 1.00 0.00 C ATOM 952 CG TYR B 118 8.736 1.643 3.511 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.695 2.132 4.831 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.598 1.742 2.692 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.513 2.695 5.345 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.409 2.302 3.200 1.00 0.00 C ATOM 957 CZ TYR B 118 6.364 2.772 4.531 1.00 0.00 C ATOM 958 OH TYR B 118 5.213 3.283 5.048 1.00 0.00 O ATOM 0 H TYR B 118 12.342 0.150 3.082 1.00 0.00 H new ATOM 0 HA TYR B 118 9.997 -0.308 4.668 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.845 1.732 3.195 1.00 0.00 H new ATOM 0 HB3 TYR B 118 9.962 0.905 1.927 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.576 2.074 5.452 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.635 1.388 1.672 1.00 0.00 H new ATOM 0 HE1 TYR B 118 7.485 3.067 6.359 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.533 2.372 2.572 1.00 0.00 H new ATOM 0 HH TYR B 118 5.430 3.946 5.736 1.00 0.00 H new ATOM 968 N LEU B 119 10.194 -1.956 1.801 1.00 0.00 N ATOM 969 CA LEU B 119 9.749 -3.195 1.144 1.00 0.00 C ATOM 970 C LEU B 119 9.885 -4.419 2.075 1.00 0.00 C ATOM 971 O LEU B 119 8.979 -5.256 2.137 1.00 0.00 O ATOM 972 CB LEU B 119 10.557 -3.382 -0.155 1.00 0.00 C ATOM 973 CG LEU B 119 9.841 -2.868 -1.420 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.397 -1.406 -1.353 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.765 -3.025 -2.627 1.00 0.00 C ATOM 0 H LEU B 119 10.931 -1.468 1.291 1.00 0.00 H new ATOM 0 HA LEU B 119 8.689 -3.111 0.904 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.511 -2.864 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.781 -4.441 -0.282 1.00 0.00 H new ATOM 0 HG LEU B 119 8.937 -3.471 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.903 -1.133 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.703 -1.274 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.268 -0.768 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.260 -2.662 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.676 -2.448 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.020 -4.077 -2.756 1.00 0.00 H new ATOM 987 N SER B 120 10.970 -4.503 2.852 1.00 0.00 N ATOM 988 CA SER B 120 11.226 -5.592 3.806 1.00 0.00 C ATOM 989 C SER B 120 10.203 -5.659 4.958 1.00 0.00 C ATOM 990 O SER B 120 9.913 -6.757 5.445 1.00 0.00 O ATOM 991 CB SER B 120 12.656 -5.471 4.349 1.00 0.00 C ATOM 992 OG SER B 120 13.043 -6.608 5.107 1.00 0.00 O ATOM 0 H SER B 120 11.711 -3.802 2.836 1.00 0.00 H new ATOM 0 HA SER B 120 11.112 -6.529 3.260 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.348 -5.339 3.517 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.732 -4.579 4.971 1.00 0.00 H new ATOM 0 HG SER B 120 13.960 -6.488 5.431 1.00 0.00 H new ATOM 998 N ARG B 121 9.617 -4.524 5.380 1.00 0.00 N ATOM 999 CA ARG B 121 8.491 -4.495 6.341 1.00 0.00 C ATOM 1000 C ARG B 121 7.117 -4.686 5.678 1.00 0.00 C ATOM 1001 O ARG B 121 6.270 -5.391 6.227 1.00 0.00 O ATOM 1002 CB ARG B 121 8.579 -3.259 7.260 1.00 0.00 C ATOM 1003 CG ARG B 121 7.785 -2.017 6.817 1.00 0.00 C ATOM 1004 CD ARG B 121 7.863 -0.885 7.847 1.00 0.00 C ATOM 1005 NE ARG B 121 6.886 0.177 7.536 1.00 0.00 N ATOM 1006 CZ ARG B 121 6.336 1.025 8.386 1.00 0.00 C ATOM 1007 NH1 ARG B 121 6.715 1.109 9.632 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 5.382 1.820 7.993 1.00 0.00 N ATOM 0 H ARG B 121 9.909 -3.598 5.066 1.00 0.00 H new ATOM 0 HA ARG B 121 8.592 -5.369 6.985 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.236 -3.547 8.254 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.628 -2.978 7.354 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.170 -1.663 5.861 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.742 -2.291 6.659 1.00 0.00 H new ATOM 0 HD2 ARG B 121 7.671 -1.281 8.844 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.870 -0.467 7.859 1.00 0.00 H new ATOM 0 HE ARG B 121 6.605 0.265 6.559 1.00 0.00 H new ATOM 0 HH11 ARG B 121 7.461 0.507 9.980 1.00 0.00 H new ATOM 0 HH12 ARG B 121 6.265 1.777 10.258 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.058 1.789 7.026 1.00 0.00 H new ATOM 0 HH22 ARG B 121 4.959 2.474 8.652 1.00 0.00 H new ATOM 1022 N LEU B 122 6.893 -4.100 4.495 1.00 0.00 N ATOM 1023 CA LEU B 122 5.604 -4.123 3.776 1.00 0.00 C ATOM 1024 C LEU B 122 5.172 -5.542 3.367 1.00 0.00 C ATOM 1025 O LEU B 122 3.990 -5.875 3.461 1.00 0.00 O ATOM 1026 CB LEU B 122 5.689 -3.205 2.542 1.00 0.00 C ATOM 1027 CG LEU B 122 5.135 -1.774 2.712 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.573 -1.035 3.981 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.573 -0.948 1.502 1.00 0.00 C ATOM 0 H LEU B 122 7.617 -3.584 3.996 1.00 0.00 H new ATOM 0 HA LEU B 122 4.839 -3.756 4.461 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.734 -3.133 2.241 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.153 -3.684 1.722 1.00 0.00 H new ATOM 0 HG LEU B 122 4.054 -1.885 2.797 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.125 -0.041 3.996 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.247 -1.594 4.858 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.659 -0.944 3.992 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.193 0.069 1.599 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.662 -0.925 1.452 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.177 -1.398 0.592 1.00 0.00 H new ATOM 1041 N SER B 123 6.120 -6.400 2.979 1.00 0.00 N ATOM 1042 CA SER B 123 5.871 -7.805 2.619 1.00 0.00 C ATOM 1043 C SER B 123 5.245 -8.638 3.749 1.00 0.00 C ATOM 1044 O SER B 123 4.572 -9.639 3.479 1.00 0.00 O ATOM 1045 CB SER B 123 7.187 -8.458 2.176 1.00 0.00 C ATOM 1046 OG SER B 123 8.089 -8.574 3.264 1.00 0.00 O ATOM 0 H SER B 123 7.102 -6.135 2.904 1.00 0.00 H new ATOM 0 HA SER B 123 5.143 -7.790 1.807 1.00 0.00 H new ATOM 0 HB2 SER B 123 6.985 -9.445 1.760 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.643 -7.865 1.383 1.00 0.00 H new ATOM 0 HG SER B 123 8.919 -8.994 2.957 1.00 0.00 H new ATOM 1052 N ARG B 124 5.425 -8.232 5.016 1.00 0.00 N ATOM 1053 CA ARG B 124 4.956 -8.958 6.211 1.00 0.00 C ATOM 1054 C ARG B 124 3.443 -8.831 6.455 1.00 0.00 C ATOM 1055 O ARG B 124 2.875 -9.677 7.152 1.00 0.00 O ATOM 1056 CB ARG B 124 5.735 -8.472 7.449 1.00 0.00 C ATOM 1057 CG ARG B 124 7.271 -8.489 7.315 1.00 0.00 C ATOM 1058 CD ARG B 124 7.861 -9.826 6.838 1.00 0.00 C ATOM 1059 NE ARG B 124 7.535 -10.944 7.749 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.696 -12.231 7.503 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.216 -12.661 6.389 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.343 -13.121 8.386 1.00 0.00 N ATOM 0 H ARG B 124 5.914 -7.367 5.245 1.00 0.00 H new ATOM 0 HA ARG B 124 5.147 -10.016 6.031 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.419 -7.455 7.679 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.455 -9.093 8.300 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.570 -7.707 6.617 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.709 -8.239 8.281 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.483 -10.052 5.841 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.944 -9.733 6.755 1.00 0.00 H new ATOM 0 HE ARG B 124 7.147 -10.696 8.659 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.513 -11.996 5.675 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.326 -13.663 6.231 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.939 -12.825 9.275 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.470 -14.114 8.189 1.00 0.00 H new ATOM 1076 N LEU B 125 2.788 -7.803 5.907 1.00 0.00 N ATOM 1077 CA LEU B 125 1.357 -7.545 6.104 1.00 0.00 C ATOM 1078 C LEU B 125 0.458 -8.506 5.296 1.00 0.00 C ATOM 1079 O LEU B 125 0.763 -8.876 4.157 1.00 0.00 O ATOM 1080 CB LEU B 125 1.012 -6.070 5.785 1.00 0.00 C ATOM 1081 CG LEU B 125 1.496 -4.976 6.766 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.412 -5.378 8.240 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.914 -4.510 6.461 1.00 0.00 C ATOM 0 H LEU B 125 3.243 -7.116 5.305 1.00 0.00 H new ATOM 0 HA LEU B 125 1.149 -7.734 7.157 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.420 -5.838 4.801 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.072 -5.991 5.708 1.00 0.00 H new ATOM 0 HG LEU B 125 0.799 -4.154 6.606 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.769 -4.557 8.862 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.377 -5.604 8.497 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.030 -6.259 8.413 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.207 -3.742 7.177 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.598 -5.355 6.535 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.953 -4.099 5.452 1.00 0.00 H new ATOM 1095 N SER B 126 -0.680 -8.877 5.889 1.00 0.00 N ATOM 1096 CA SER B 126 -1.794 -9.583 5.235 1.00 0.00 C ATOM 1097 C SER B 126 -2.579 -8.667 4.272 1.00 0.00 C ATOM 1098 O SER B 126 -2.402 -7.449 4.291 1.00 0.00 O ATOM 1099 CB SER B 126 -2.712 -10.177 6.316 1.00 0.00 C ATOM 1100 OG SER B 126 -3.713 -10.993 5.736 1.00 0.00 O ATOM 0 H SER B 126 -0.861 -8.688 6.875 1.00 0.00 H new ATOM 0 HA SER B 126 -1.386 -10.387 4.622 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.121 -10.764 7.019 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.178 -9.373 6.886 1.00 0.00 H new ATOM 0 HG SER B 126 -4.284 -11.362 6.442 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.467 -9.232 3.437 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.183 -8.525 2.352 1.00 0.00 C ATOM 1108 C LYS B 127 -4.980 -7.305 2.831 1.00 0.00 C ATOM 1109 O LYS B 127 -4.944 -6.250 2.203 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.124 -9.520 1.644 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.463 -9.106 0.199 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.304 -9.361 -0.787 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.528 -8.696 -2.151 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.717 -9.226 -2.862 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.716 -10.219 3.496 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.427 -8.142 1.666 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.660 -10.506 1.634 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -6.047 -9.608 2.217 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.344 -9.655 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.722 -8.047 0.181 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.376 -8.988 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.182 -10.435 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.643 -7.621 -2.011 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.644 -8.844 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.557 -9.180 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.878 -10.214 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.551 -8.656 -2.616 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.674 -7.427 3.959 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.418 -6.331 4.578 1.00 0.00 C ATOM 1130 C ASN B 128 -5.486 -5.292 5.238 1.00 0.00 C ATOM 1131 O ASN B 128 -5.739 -4.086 5.165 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.390 -6.957 5.597 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.577 -7.683 4.975 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.810 -7.673 3.772 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -9.385 -8.326 5.784 1.00 0.00 N ATOM 0 H ASN B 128 -5.737 -8.303 4.478 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.969 -5.779 3.817 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -6.838 -7.659 6.222 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.764 -6.171 6.253 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -10.200 -8.813 5.410 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -9.198 -8.339 6.787 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.385 -5.740 5.849 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.419 -4.892 6.559 1.00 0.00 C ATOM 1144 C GLN B 129 -2.582 -4.013 5.614 1.00 0.00 C ATOM 1145 O GLN B 129 -2.403 -2.822 5.878 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.495 -5.779 7.409 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.205 -6.543 8.538 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.309 -7.593 9.202 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.306 -8.055 8.662 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.645 -8.027 10.398 1.00 0.00 N ATOM 0 H GLN B 129 -4.133 -6.728 5.865 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.987 -4.212 7.194 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.001 -6.498 6.756 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.714 -5.156 7.845 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.545 -5.833 9.292 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.093 -7.032 8.137 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.474 -7.655 10.861 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.076 -8.735 10.862 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.110 -4.565 4.487 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.372 -3.801 3.472 1.00 0.00 C ATOM 1161 C LEU B 130 -2.250 -2.710 2.836 1.00 0.00 C ATOM 1162 O LEU B 130 -1.760 -1.618 2.549 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.714 -4.743 2.440 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.655 -5.602 1.567 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.122 -4.921 0.276 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.954 -6.909 1.182 1.00 0.00 C ATOM 0 H LEU B 130 -2.229 -5.551 4.254 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.557 -3.271 3.964 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.096 -4.138 1.776 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.043 -5.415 2.976 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.540 -5.773 2.180 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.778 -5.595 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.664 -4.008 0.522 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.256 -4.675 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.621 -7.512 0.566 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.047 -6.684 0.621 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.694 -7.462 2.085 1.00 0.00 H new ATOM 1178 N MET B 131 -3.555 -2.966 2.672 1.00 0.00 N ATOM 1179 CA MET B 131 -4.496 -1.970 2.153 1.00 0.00 C ATOM 1180 C MET B 131 -4.836 -0.885 3.178 1.00 0.00 C ATOM 1181 O MET B 131 -4.895 0.286 2.813 1.00 0.00 O ATOM 1182 CB MET B 131 -5.764 -2.645 1.637 1.00 0.00 C ATOM 1183 CG MET B 131 -5.477 -3.414 0.345 1.00 0.00 C ATOM 1184 SD MET B 131 -6.959 -3.883 -0.573 1.00 0.00 S ATOM 1185 CE MET B 131 -7.467 -5.330 0.386 1.00 0.00 C ATOM 0 H MET B 131 -3.984 -3.864 2.894 1.00 0.00 H new ATOM 0 HA MET B 131 -3.999 -1.469 1.322 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.153 -3.326 2.393 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.534 -1.895 1.457 1.00 0.00 H new ATOM 0 HG2 MET B 131 -4.843 -2.803 -0.297 1.00 0.00 H new ATOM 0 HG3 MET B 131 -4.912 -4.314 0.588 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.554 -5.412 0.373 1.00 0.00 H new ATOM 0 HE2 MET B 131 -7.030 -6.228 -0.051 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.124 -5.223 1.415 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.973 -1.236 4.462 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.128 -0.254 5.539 1.00 0.00 C ATOM 1197 C ALA B 132 -3.909 0.686 5.642 1.00 0.00 C ATOM 1198 O ALA B 132 -4.072 1.903 5.775 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.378 -1.002 6.852 1.00 0.00 C ATOM 0 H ALA B 132 -4.979 -2.205 4.782 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.982 0.386 5.318 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.495 -0.284 7.663 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.285 -1.600 6.763 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.532 -1.655 7.065 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.691 0.137 5.517 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.440 0.902 5.481 1.00 0.00 C ATOM 1207 C LEU B 133 -1.341 1.814 4.244 1.00 0.00 C ATOM 1208 O LEU B 133 -1.047 3.000 4.383 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.259 -0.084 5.569 1.00 0.00 C ATOM 1210 CG LEU B 133 1.133 0.574 5.483 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.399 1.532 6.649 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.205 -0.511 5.503 1.00 0.00 C ATOM 0 H LEU B 133 -2.548 -0.870 5.437 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.414 1.577 6.337 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.330 -0.633 6.508 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.352 -0.814 4.765 1.00 0.00 H new ATOM 0 HG LEU B 133 1.162 1.147 4.556 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.392 1.969 6.542 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.651 2.325 6.646 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.343 0.984 7.590 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.191 -0.050 5.442 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.128 -1.082 6.428 1.00 0.00 H new ATOM 0 HD23 LEU B 133 2.064 -1.178 4.653 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.610 1.290 3.046 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.570 2.069 1.808 1.00 0.00 C ATOM 1226 C ALA B 134 -2.639 3.180 1.773 1.00 0.00 C ATOM 1227 O ALA B 134 -2.350 4.299 1.360 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.710 1.113 0.625 1.00 0.00 C ATOM 0 H ALA B 134 -1.862 0.311 2.908 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.612 2.586 1.750 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.682 1.679 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.890 0.395 0.638 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.659 0.581 0.697 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.852 2.916 2.272 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.929 3.906 2.387 1.00 0.00 C ATOM 1236 C LEU B 135 -4.579 5.012 3.397 1.00 0.00 C ATOM 1237 O LEU B 135 -4.796 6.190 3.117 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.238 3.152 2.714 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.573 3.917 2.672 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.780 4.884 3.832 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.762 4.661 1.354 1.00 0.00 C ATOM 0 H LEU B 135 -4.117 1.992 2.613 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.066 4.435 1.444 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.317 2.315 2.020 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.133 2.729 3.713 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.330 3.138 2.766 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.744 5.380 3.724 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.758 4.334 4.773 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.986 5.630 3.830 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.717 5.187 1.367 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -6.953 5.380 1.223 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.752 3.948 0.529 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.964 4.662 4.539 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.417 5.626 5.513 1.00 0.00 C ATOM 1255 C LYS B 136 -2.370 6.547 4.871 1.00 0.00 C ATOM 1256 O LYS B 136 -2.490 7.768 4.961 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.870 4.860 6.732 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.343 5.795 7.834 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.813 5.033 9.056 1.00 0.00 C ATOM 1260 CE LYS B 136 -2.923 4.284 9.807 1.00 0.00 C ATOM 1261 NZ LYS B 136 -2.399 3.616 11.029 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.830 3.690 4.817 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.215 6.285 5.856 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.658 4.229 7.143 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.067 4.197 6.409 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.547 6.417 7.426 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.143 6.466 8.148 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.052 4.322 8.735 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -1.328 5.734 9.735 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -3.713 4.983 10.083 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -3.372 3.540 9.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -3.174 3.119 11.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -1.663 2.932 10.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.993 4.329 11.668 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.399 5.976 4.152 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.397 6.718 3.373 1.00 0.00 C ATOM 1277 C LEU B 137 -1.039 7.626 2.304 1.00 0.00 C ATOM 1278 O LEU B 137 -0.568 8.745 2.090 1.00 0.00 O ATOM 1279 CB LEU B 137 0.564 5.713 2.702 1.00 0.00 C ATOM 1280 CG LEU B 137 1.930 5.515 3.386 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.845 5.182 4.878 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.668 4.377 2.684 1.00 0.00 C ATOM 0 H LEU B 137 -1.283 4.964 4.093 1.00 0.00 H new ATOM 0 HA LEU B 137 0.148 7.368 4.058 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.065 4.746 2.648 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.739 6.039 1.677 1.00 0.00 H new ATOM 0 HG LEU B 137 2.454 6.467 3.305 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.850 5.059 5.281 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.340 5.993 5.404 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.284 4.257 5.013 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.638 4.225 3.158 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.081 3.462 2.758 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.813 4.631 1.634 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.119 7.170 1.653 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.853 7.945 0.643 1.00 0.00 C ATOM 1296 C LYS B 138 -3.566 9.150 1.249 1.00 0.00 C ATOM 1297 O LYS B 138 -3.307 10.275 0.823 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.824 7.029 -0.124 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.462 7.686 -1.360 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.453 8.122 -2.436 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.219 8.543 -3.693 1.00 0.00 C ATOM 1302 NZ LYS B 138 -3.318 8.951 -4.803 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.511 6.243 1.815 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.129 8.347 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.290 6.132 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.616 6.708 0.553 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.170 6.986 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.033 8.557 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.846 8.950 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.771 7.304 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.847 7.716 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.885 9.370 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.887 9.226 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.736 9.758 -4.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.699 8.155 -5.059 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.421 8.954 2.258 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.204 10.052 2.846 1.00 0.00 C ATOM 1318 C GLN B 139 -4.315 11.102 3.536 1.00 0.00 C ATOM 1319 O GLN B 139 -4.658 12.284 3.532 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.319 9.526 3.763 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.844 8.973 5.113 1.00 0.00 C ATOM 1322 CD GLN B 139 -7.014 8.525 5.988 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.809 9.319 6.481 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.173 7.241 6.216 1.00 0.00 N ATOM 0 H GLN B 139 -4.590 8.044 2.687 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.694 10.571 2.022 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.028 10.333 3.948 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.861 8.740 3.236 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.173 8.131 4.945 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.270 9.737 5.637 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.521 6.567 5.814 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.948 6.918 6.795 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.149 10.703 4.064 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.160 11.615 4.645 1.00 0.00 C ATOM 1335 C GLN B 140 -1.698 12.704 3.670 1.00 0.00 C ATOM 1336 O GLN B 140 -1.613 13.871 4.058 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.951 10.804 5.146 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.203 10.221 6.547 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.174 9.175 6.982 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.697 8.730 6.242 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.229 8.744 8.224 1.00 0.00 N ATOM 0 H GLN B 140 -2.865 9.724 4.099 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.643 12.130 5.475 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.740 9.995 4.447 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.068 11.443 5.170 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.207 11.035 7.272 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.195 9.770 6.568 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -0.945 9.101 8.856 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.445 8.053 8.554 1.00 0.00 H new