USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 SER OG : rot 180:sc= 0.582 USER MOD Set 1.2: B 127 LYS NZ :NH3+ -158:sc= 0.965 (180deg=0.986) USER MOD Set 1.3: B 131 MET CE :methyl -173:sc= -0.248 (180deg=-0.326) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -137:sc= 0.806 (180deg=0.0186) USER MOD Set 2.2: B 118 TYR OH : rot 50:sc= 0.631 USER MOD Set 3.1: A 39 GLN : amide:sc= 0.544 K(o=1.2,f=-0.98) USER MOD Set 3.2: B 115 LYS NZ :NH3+ 138:sc= 0.666 (180deg=0) USER MOD Set 4.1: A 28 ASN : amide:sc= 0.755 K(o=1.4,f=-0.03) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.642 K(o=1.4,f=-0.062) USER MOD Set 5.1: A 27 LYS NZ :NH3+ -118:sc= 0.513 (180deg=0.759) USER MOD Set 5.2: B 123 SER OG : rot 180:sc= 0.482 USER MOD Set 6.1: A 18 TYR OH : rot -15:sc= 0.26 USER MOD Set 6.2: B 138 LYS NZ :NH3+ -134:sc= 0.596 (180deg=-0.0134) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 31 MET CE :methyl -175:sc= -0.231 (180deg=-0.25) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 41 GLN : amide:sc= 1.46 K(o=1.5,f=-0.054) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc=-0.00614 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 129 GLN : amide:sc= 0.592 K(o=0.59,f=-4!) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : B 140 GLN : amide:sc= 0.9 K(o=0.9,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.736 7.294 -1.628 1.00 0.00 N ATOM 165 CA TRP A 14 -13.543 7.026 -2.442 1.00 0.00 C ATOM 166 C TRP A 14 -12.638 5.940 -1.836 1.00 0.00 C ATOM 167 O TRP A 14 -11.974 5.211 -2.575 1.00 0.00 O ATOM 168 CB TRP A 14 -12.766 8.338 -2.652 1.00 0.00 C ATOM 169 CG TRP A 14 -11.971 8.852 -1.482 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.403 9.762 -0.578 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.613 8.491 -1.060 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.410 9.995 0.357 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.279 9.247 0.103 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.621 7.619 -1.565 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -9.033 9.143 0.742 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.367 7.509 -0.932 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.063 8.277 0.210 1.00 0.00 C ATOM 0 HA TRP A 14 -13.876 6.636 -3.404 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -12.084 8.198 -3.491 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.477 9.110 -2.945 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.374 10.234 -0.585 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.503 10.642 1.140 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.827 7.030 -2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.823 9.721 1.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.629 6.827 -1.327 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.090 8.200 0.673 1.00 0.00 H new ATOM 188 N LYS A 15 -12.633 5.793 -0.502 1.00 0.00 N ATOM 189 CA LYS A 15 -11.825 4.792 0.215 1.00 0.00 C ATOM 190 C LYS A 15 -12.221 3.359 -0.158 1.00 0.00 C ATOM 191 O LYS A 15 -11.356 2.499 -0.294 1.00 0.00 O ATOM 192 CB LYS A 15 -11.978 5.001 1.730 1.00 0.00 C ATOM 193 CG LYS A 15 -11.481 6.373 2.218 1.00 0.00 C ATOM 194 CD LYS A 15 -11.750 6.513 3.718 1.00 0.00 C ATOM 195 CE LYS A 15 -11.212 7.850 4.240 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.658 8.098 5.633 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.198 6.374 0.118 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.784 4.929 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.028 4.888 1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.429 4.218 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.414 6.477 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.986 7.169 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.821 6.446 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.279 5.690 4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.123 7.848 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.554 8.660 3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.280 9.009 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.697 8.122 5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.310 7.336 6.250 1.00 0.00 H new ATOM 210 N ASP A 16 -13.517 3.099 -0.365 1.00 0.00 N ATOM 211 CA ASP A 16 -14.041 1.783 -0.744 1.00 0.00 C ATOM 212 C ASP A 16 -13.550 1.334 -2.134 1.00 0.00 C ATOM 213 O ASP A 16 -13.118 0.191 -2.311 1.00 0.00 O ATOM 214 CB ASP A 16 -15.580 1.836 -0.705 1.00 0.00 C ATOM 215 CG ASP A 16 -16.247 0.472 -0.953 1.00 0.00 C ATOM 216 OD1 ASP A 16 -17.345 0.441 -1.554 1.00 0.00 O ATOM 217 OD2 ASP A 16 -15.701 -0.572 -0.522 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.243 3.810 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.669 1.046 -0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.898 2.216 0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.930 2.545 -1.455 1.00 0.00 H new ATOM 222 N ASP A 17 -13.532 2.250 -3.110 1.00 0.00 N ATOM 223 CA ASP A 17 -12.922 2.014 -4.421 1.00 0.00 C ATOM 224 C ASP A 17 -11.410 1.782 -4.307 1.00 0.00 C ATOM 225 O ASP A 17 -10.864 0.892 -4.971 1.00 0.00 O ATOM 226 CB ASP A 17 -13.217 3.198 -5.350 1.00 0.00 C ATOM 227 CG ASP A 17 -12.582 2.999 -6.737 1.00 0.00 C ATOM 228 OD1 ASP A 17 -13.163 2.256 -7.565 1.00 0.00 O ATOM 229 OD2 ASP A 17 -11.503 3.580 -7.005 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.942 3.179 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.359 1.108 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.295 3.318 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.836 4.116 -4.903 1.00 0.00 H new ATOM 234 N TYR A 18 -10.733 2.543 -3.441 1.00 0.00 N ATOM 235 CA TYR A 18 -9.288 2.422 -3.255 1.00 0.00 C ATOM 236 C TYR A 18 -8.894 1.078 -2.635 1.00 0.00 C ATOM 237 O TYR A 18 -7.986 0.421 -3.138 1.00 0.00 O ATOM 238 CB TYR A 18 -8.751 3.618 -2.459 1.00 0.00 C ATOM 239 CG TYR A 18 -7.359 4.026 -2.889 1.00 0.00 C ATOM 240 CD1 TYR A 18 -7.191 4.637 -4.150 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.242 3.786 -2.070 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.904 4.998 -4.591 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.957 4.168 -2.499 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.784 4.765 -3.766 1.00 0.00 C ATOM 245 OH TYR A 18 -3.552 5.146 -4.206 1.00 0.00 O ATOM 0 H TYR A 18 -11.169 3.254 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.818 2.440 -4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.427 4.464 -2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.741 3.368 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.050 4.828 -4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.370 3.308 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.774 5.454 -5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.103 4.004 -1.858 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.590 5.328 -5.168 1.00 0.00 H new ATOM 255 N LEU A 19 -9.615 0.585 -1.625 1.00 0.00 N ATOM 256 CA LEU A 19 -9.441 -0.775 -1.096 1.00 0.00 C ATOM 257 C LEU A 19 -9.711 -1.837 -2.179 1.00 0.00 C ATOM 258 O LEU A 19 -8.891 -2.732 -2.389 1.00 0.00 O ATOM 259 CB LEU A 19 -10.361 -0.967 0.123 1.00 0.00 C ATOM 260 CG LEU A 19 -9.664 -0.691 1.466 1.00 0.00 C ATOM 261 CD1 LEU A 19 -9.045 0.699 1.603 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.669 -0.877 2.607 1.00 0.00 C ATOM 0 H LEU A 19 -10.341 1.119 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.405 -0.904 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.222 -0.305 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.742 -1.988 0.123 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.840 -1.403 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.579 0.795 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.292 0.840 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.822 1.456 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.178 -0.682 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.499 -0.182 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.047 -1.899 2.596 1.00 0.00 H new ATOM 274 N SER A 20 -10.820 -1.703 -2.918 1.00 0.00 N ATOM 275 CA SER A 20 -11.199 -2.636 -3.991 1.00 0.00 C ATOM 276 C SER A 20 -10.098 -2.790 -5.051 1.00 0.00 C ATOM 277 O SER A 20 -9.733 -3.919 -5.402 1.00 0.00 O ATOM 278 CB SER A 20 -12.521 -2.181 -4.625 1.00 0.00 C ATOM 279 OG SER A 20 -12.931 -3.060 -5.663 1.00 0.00 O ATOM 0 H SER A 20 -11.485 -0.940 -2.789 1.00 0.00 H new ATOM 0 HA SER A 20 -11.333 -3.622 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.296 -2.134 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.406 -1.173 -5.024 1.00 0.00 H new ATOM 0 HG SER A 20 -13.776 -2.743 -6.045 1.00 0.00 H new ATOM 285 N ARG A 21 -9.507 -1.681 -5.519 1.00 0.00 N ATOM 286 CA ARG A 21 -8.431 -1.693 -6.533 1.00 0.00 C ATOM 287 C ARG A 21 -7.062 -2.116 -5.980 1.00 0.00 C ATOM 288 O ARG A 21 -6.352 -2.861 -6.650 1.00 0.00 O ATOM 289 CB ARG A 21 -8.412 -0.353 -7.298 1.00 0.00 C ATOM 290 CG ARG A 21 -7.733 0.820 -6.578 1.00 0.00 C ATOM 291 CD ARG A 21 -8.204 2.176 -7.113 1.00 0.00 C ATOM 292 NE ARG A 21 -7.896 2.349 -8.549 1.00 0.00 N ATOM 293 CZ ARG A 21 -8.641 2.926 -9.476 1.00 0.00 C ATOM 294 NH1 ARG A 21 -9.817 3.431 -9.236 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -8.207 3.009 -10.705 1.00 0.00 N ATOM 0 H ARG A 21 -9.760 -0.744 -5.206 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.661 -2.479 -7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.909 -0.509 -8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.440 -0.070 -7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.943 0.760 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.652 0.740 -6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.279 2.271 -6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.729 2.974 -6.543 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.999 1.978 -8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.206 3.393 -8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.349 3.865 -9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.293 2.628 -10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.782 3.454 -11.420 1.00 0.00 H new ATOM 309 N LEU A 22 -6.725 -1.734 -4.745 1.00 0.00 N ATOM 310 CA LEU A 22 -5.482 -2.142 -4.057 1.00 0.00 C ATOM 311 C LEU A 22 -5.374 -3.667 -3.890 1.00 0.00 C ATOM 312 O LEU A 22 -4.282 -4.222 -4.037 1.00 0.00 O ATOM 313 CB LEU A 22 -5.391 -1.459 -2.674 1.00 0.00 C ATOM 314 CG LEU A 22 -4.576 -0.146 -2.618 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.737 0.820 -3.795 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.956 0.595 -1.332 1.00 0.00 C ATOM 0 H LEU A 22 -7.314 -1.122 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.651 -1.823 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.403 -1.250 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.952 -2.166 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.533 -0.461 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.113 1.699 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.432 0.324 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.780 1.125 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.393 1.526 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.023 0.816 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.722 -0.029 -0.470 1.00 0.00 H new ATOM 328 N SER A 23 -6.489 -4.359 -3.644 1.00 0.00 N ATOM 329 CA SER A 23 -6.518 -5.831 -3.518 1.00 0.00 C ATOM 330 C SER A 23 -6.128 -6.568 -4.819 1.00 0.00 C ATOM 331 O SER A 23 -5.715 -7.731 -4.766 1.00 0.00 O ATOM 332 CB SER A 23 -7.910 -6.266 -3.046 1.00 0.00 C ATOM 333 OG SER A 23 -7.920 -7.636 -2.657 1.00 0.00 O ATOM 0 H SER A 23 -7.402 -3.920 -3.525 1.00 0.00 H new ATOM 0 HA SER A 23 -5.763 -6.110 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.222 -5.645 -2.206 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.633 -6.108 -3.846 1.00 0.00 H new ATOM 0 HG SER A 23 -8.820 -7.885 -2.359 1.00 0.00 H new ATOM 339 N ARG A 24 -6.217 -5.918 -5.991 1.00 0.00 N ATOM 340 CA ARG A 24 -5.921 -6.534 -7.300 1.00 0.00 C ATOM 341 C ARG A 24 -4.425 -6.641 -7.628 1.00 0.00 C ATOM 342 O ARG A 24 -4.043 -7.464 -8.463 1.00 0.00 O ATOM 343 CB ARG A 24 -6.653 -5.776 -8.427 1.00 0.00 C ATOM 344 CG ARG A 24 -8.167 -5.578 -8.207 1.00 0.00 C ATOM 345 CD ARG A 24 -8.956 -6.871 -7.926 1.00 0.00 C ATOM 346 NE ARG A 24 -8.843 -7.854 -9.025 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.531 -7.879 -10.155 1.00 0.00 C ATOM 348 NH1 ARG A 24 -9.334 -8.830 -11.024 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -10.431 -6.981 -10.445 1.00 0.00 N ATOM 0 H ARG A 24 -6.499 -4.940 -6.060 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.287 -7.558 -7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.188 -4.797 -8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.505 -6.316 -9.362 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.311 -4.893 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.588 -5.097 -9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.593 -7.321 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.006 -6.625 -7.769 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.156 -8.597 -8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.647 -9.560 -10.835 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.867 -8.845 -11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.626 -6.224 -9.790 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.940 -7.036 -11.327 1.00 0.00 H new ATOM 363 N LEU A 25 -3.572 -5.822 -6.999 1.00 0.00 N ATOM 364 CA LEU A 25 -2.128 -5.784 -7.276 1.00 0.00 C ATOM 365 C LEU A 25 -1.392 -7.038 -6.769 1.00 0.00 C ATOM 366 O LEU A 25 -1.682 -7.558 -5.689 1.00 0.00 O ATOM 367 CB LEU A 25 -1.492 -4.498 -6.706 1.00 0.00 C ATOM 368 CG LEU A 25 -1.723 -3.175 -7.473 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.420 -3.263 -8.973 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.136 -2.621 -7.306 1.00 0.00 C ATOM 0 H LEU A 25 -3.865 -5.162 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.016 -5.775 -8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.862 -4.364 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.416 -4.660 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.008 -2.495 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.606 -2.296 -9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.376 -3.540 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.062 -4.016 -9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.232 -1.693 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.858 -3.347 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.328 -2.427 -6.251 1.00 0.00 H new ATOM 382 N SER A 26 -0.403 -7.494 -7.543 1.00 0.00 N ATOM 383 CA SER A 26 0.526 -8.573 -7.169 1.00 0.00 C ATOM 384 C SER A 26 1.505 -8.138 -6.064 1.00 0.00 C ATOM 385 O SER A 26 1.632 -6.946 -5.767 1.00 0.00 O ATOM 386 CB SER A 26 1.263 -9.071 -8.422 1.00 0.00 C ATOM 387 OG SER A 26 2.092 -10.192 -8.138 1.00 0.00 O ATOM 0 H SER A 26 -0.219 -7.115 -8.472 1.00 0.00 H new ATOM 0 HA SER A 26 -0.052 -9.397 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.536 -9.342 -9.188 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.871 -8.264 -8.831 1.00 0.00 H new ATOM 0 HG SER A 26 2.543 -10.482 -8.958 1.00 0.00 H new ATOM 393 N LYS A 27 2.210 -9.095 -5.440 1.00 0.00 N ATOM 394 CA LYS A 27 3.060 -8.891 -4.249 1.00 0.00 C ATOM 395 C LYS A 27 4.167 -7.842 -4.452 1.00 0.00 C ATOM 396 O LYS A 27 4.426 -7.049 -3.557 1.00 0.00 O ATOM 397 CB LYS A 27 3.630 -10.260 -3.811 1.00 0.00 C ATOM 398 CG LYS A 27 4.143 -10.283 -2.358 1.00 0.00 C ATOM 399 CD LYS A 27 3.002 -10.335 -1.332 1.00 0.00 C ATOM 400 CE LYS A 27 3.466 -10.064 0.110 1.00 0.00 C ATOM 401 NZ LYS A 27 4.373 -11.120 0.634 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.206 -10.064 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 27 2.438 -8.477 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.856 -11.019 -3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.446 -10.534 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.792 -11.148 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.750 -9.396 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.243 -9.602 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.528 -11.316 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.977 -9.102 0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.593 -9.987 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.933 -11.578 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.543 -11.830 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.277 -10.692 0.917 1.00 0.00 H new ATOM 415 N ASN A 28 4.769 -7.779 -5.641 1.00 0.00 N ATOM 416 CA ASN A 28 5.750 -6.745 -6.004 1.00 0.00 C ATOM 417 C ASN A 28 5.088 -5.376 -6.260 1.00 0.00 C ATOM 418 O ASN A 28 5.648 -4.329 -5.936 1.00 0.00 O ATOM 419 CB ASN A 28 6.511 -7.224 -7.257 1.00 0.00 C ATOM 420 CG ASN A 28 7.637 -6.275 -7.644 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.686 -6.239 -7.013 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.479 -5.485 -8.681 1.00 0.00 N ATOM 0 H ASN A 28 4.590 -8.449 -6.389 1.00 0.00 H new ATOM 0 HA ASN A 28 6.437 -6.602 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.922 -8.217 -7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.814 -7.317 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.227 -4.848 -8.955 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.609 -5.509 -9.212 1.00 0.00 H new ATOM 429 N GLN A 29 3.898 -5.380 -6.856 1.00 0.00 N ATOM 430 CA GLN A 29 3.207 -4.174 -7.322 1.00 0.00 C ATOM 431 C GLN A 29 2.543 -3.390 -6.180 1.00 0.00 C ATOM 432 O GLN A 29 2.596 -2.159 -6.170 1.00 0.00 O ATOM 433 CB GLN A 29 2.176 -4.554 -8.398 1.00 0.00 C ATOM 434 CG GLN A 29 2.745 -5.351 -9.588 1.00 0.00 C ATOM 435 CD GLN A 29 3.885 -4.619 -10.293 1.00 0.00 C ATOM 436 OE1 GLN A 29 5.047 -4.994 -10.203 1.00 0.00 O ATOM 437 NE2 GLN A 29 3.599 -3.532 -10.980 1.00 0.00 N ATOM 0 H GLN A 29 3.374 -6.237 -7.033 1.00 0.00 H new ATOM 0 HA GLN A 29 3.957 -3.510 -7.752 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.385 -5.141 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.715 -3.642 -8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.102 -6.318 -9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.947 -5.548 -10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.632 -3.217 -11.057 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.345 -3.005 -11.435 1.00 0.00 H new ATOM 446 N LEU A 30 1.973 -4.081 -5.185 1.00 0.00 N ATOM 447 CA LEU A 30 1.451 -3.441 -3.965 1.00 0.00 C ATOM 448 C LEU A 30 2.565 -2.772 -3.139 1.00 0.00 C ATOM 449 O LEU A 30 2.329 -1.727 -2.537 1.00 0.00 O ATOM 450 CB LEU A 30 0.601 -4.445 -3.159 1.00 0.00 C ATOM 451 CG LEU A 30 1.343 -5.642 -2.528 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.887 -5.344 -1.120 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.376 -6.819 -2.404 1.00 0.00 C ATOM 0 H LEU A 30 1.860 -5.095 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 30 0.790 -2.624 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.098 -3.899 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.176 -4.836 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 30 2.187 -5.863 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.397 -6.226 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.589 -4.511 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.061 -5.083 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.893 -7.669 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.465 -6.534 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.009 -7.094 -3.393 1.00 0.00 H new ATOM 465 N MET A 31 3.794 -3.319 -3.169 1.00 0.00 N ATOM 466 CA MET A 31 4.959 -2.650 -2.579 1.00 0.00 C ATOM 467 C MET A 31 5.309 -1.374 -3.335 1.00 0.00 C ATOM 468 O MET A 31 5.449 -0.318 -2.717 1.00 0.00 O ATOM 469 CB MET A 31 6.199 -3.547 -2.562 1.00 0.00 C ATOM 470 CG MET A 31 6.094 -4.789 -1.688 1.00 0.00 C ATOM 471 SD MET A 31 7.512 -5.894 -1.914 1.00 0.00 S ATOM 472 CE MET A 31 6.884 -7.319 -1.003 1.00 0.00 C ATOM 0 H MET A 31 4.002 -4.222 -3.596 1.00 0.00 H new ATOM 0 HA MET A 31 4.675 -2.413 -1.554 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.415 -3.860 -3.584 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.050 -2.956 -2.223 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.028 -4.492 -0.641 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.175 -5.324 -1.926 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.657 -8.086 -0.950 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.606 -7.013 0.006 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.009 -7.721 -1.514 1.00 0.00 H new ATOM 482 N ALA A 32 5.421 -1.447 -4.666 1.00 0.00 N ATOM 483 CA ALA A 32 5.771 -0.296 -5.502 1.00 0.00 C ATOM 484 C ALA A 32 4.769 0.861 -5.345 1.00 0.00 C ATOM 485 O ALA A 32 5.181 2.017 -5.237 1.00 0.00 O ATOM 486 CB ALA A 32 5.881 -0.772 -6.953 1.00 0.00 C ATOM 0 H ALA A 32 5.271 -2.307 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 32 6.731 0.108 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.141 0.071 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.654 -1.537 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.926 -1.189 -7.272 1.00 0.00 H new ATOM 492 N LEU A 33 3.471 0.553 -5.253 1.00 0.00 N ATOM 493 CA LEU A 33 2.387 1.515 -5.014 1.00 0.00 C ATOM 494 C LEU A 33 2.541 2.223 -3.657 1.00 0.00 C ATOM 495 O LEU A 33 2.547 3.456 -3.596 1.00 0.00 O ATOM 496 CB LEU A 33 1.047 0.760 -5.167 1.00 0.00 C ATOM 497 CG LEU A 33 -0.267 1.552 -5.011 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.647 1.848 -3.561 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.272 2.850 -5.819 1.00 0.00 C ATOM 0 H LEU A 33 3.134 -0.405 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 33 2.421 2.321 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.039 0.296 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.036 -0.047 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.026 0.883 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.582 2.408 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.771 0.911 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.141 2.437 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.221 3.366 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.545 3.490 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.144 2.621 -6.877 1.00 0.00 H new ATOM 511 N ALA A 34 2.721 1.472 -2.569 1.00 0.00 N ATOM 512 CA ALA A 34 2.917 2.052 -1.237 1.00 0.00 C ATOM 513 C ALA A 34 4.239 2.846 -1.130 1.00 0.00 C ATOM 514 O ALA A 34 4.257 3.940 -0.568 1.00 0.00 O ATOM 515 CB ALA A 34 2.850 0.917 -0.209 1.00 0.00 C ATOM 0 H ALA A 34 2.735 0.452 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 34 2.127 2.777 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.993 1.324 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.876 0.431 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.633 0.188 -0.420 1.00 0.00 H new ATOM 521 N LEU A 35 5.336 2.343 -1.708 1.00 0.00 N ATOM 522 CA LEU A 35 6.653 2.994 -1.716 1.00 0.00 C ATOM 523 C LEU A 35 6.614 4.336 -2.472 1.00 0.00 C ATOM 524 O LEU A 35 7.118 5.344 -1.968 1.00 0.00 O ATOM 525 CB LEU A 35 7.662 1.981 -2.308 1.00 0.00 C ATOM 526 CG LEU A 35 9.169 2.267 -2.171 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.673 3.468 -2.957 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.576 2.399 -0.707 1.00 0.00 C ATOM 0 H LEU A 35 5.333 1.448 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 35 6.967 3.258 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.467 1.013 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.441 1.878 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 35 9.649 1.396 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.744 3.585 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.481 3.314 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.155 4.366 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.645 2.601 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.024 3.220 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.350 1.471 -0.181 1.00 0.00 H new ATOM 540 N LYS A 36 5.952 4.383 -3.633 1.00 0.00 N ATOM 541 CA LYS A 36 5.686 5.601 -4.419 1.00 0.00 C ATOM 542 C LYS A 36 4.940 6.657 -3.598 1.00 0.00 C ATOM 543 O LYS A 36 5.402 7.794 -3.507 1.00 0.00 O ATOM 544 CB LYS A 36 4.926 5.185 -5.691 1.00 0.00 C ATOM 545 CG LYS A 36 4.520 6.357 -6.597 1.00 0.00 C ATOM 546 CD LYS A 36 3.866 5.813 -7.878 1.00 0.00 C ATOM 547 CE LYS A 36 3.368 6.960 -8.759 1.00 0.00 C ATOM 548 NZ LYS A 36 2.794 6.465 -10.037 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.571 3.544 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 36 6.624 6.078 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.549 4.497 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.029 4.637 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.826 7.013 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.395 6.956 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.585 5.209 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.033 5.159 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.613 7.532 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.193 7.640 -8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.468 7.272 -10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.521 5.941 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.991 5.836 -9.836 1.00 0.00 H new ATOM 562 N LEU A 37 3.844 6.277 -2.937 1.00 0.00 N ATOM 563 CA LEU A 37 3.092 7.161 -2.038 1.00 0.00 C ATOM 564 C LEU A 37 3.934 7.641 -0.843 1.00 0.00 C ATOM 565 O LEU A 37 3.799 8.797 -0.423 1.00 0.00 O ATOM 566 CB LEU A 37 1.844 6.408 -1.530 1.00 0.00 C ATOM 567 CG LEU A 37 0.527 6.672 -2.278 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.618 6.579 -3.804 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.489 5.645 -1.788 1.00 0.00 C ATOM 0 H LEU A 37 3.449 5.340 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 37 2.806 8.049 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.051 5.339 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.696 6.663 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 37 0.243 7.702 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.360 6.781 -4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.337 7.312 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.943 5.578 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.439 5.801 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.123 4.641 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.631 5.758 -0.713 1.00 0.00 H new ATOM 581 N LYS A 38 4.780 6.774 -0.270 1.00 0.00 N ATOM 582 CA LYS A 38 5.604 7.091 0.907 1.00 0.00 C ATOM 583 C LYS A 38 6.762 8.035 0.586 1.00 0.00 C ATOM 584 O LYS A 38 6.947 9.018 1.301 1.00 0.00 O ATOM 585 CB LYS A 38 6.096 5.788 1.569 1.00 0.00 C ATOM 586 CG LYS A 38 6.733 5.997 2.958 1.00 0.00 C ATOM 587 CD LYS A 38 5.722 6.495 4.012 1.00 0.00 C ATOM 588 CE LYS A 38 6.340 6.722 5.397 1.00 0.00 C ATOM 589 NZ LYS A 38 6.784 5.459 6.030 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.914 5.823 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 38 4.974 7.630 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.256 5.100 1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.825 5.311 0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.171 5.058 3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.547 6.717 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.277 7.428 3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.913 5.769 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.190 7.398 5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.610 7.212 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.509 5.458 7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.337 4.653 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.818 5.377 5.954 1.00 0.00 H new ATOM 603 N GLN A 39 7.507 7.796 -0.498 1.00 0.00 N ATOM 604 CA GLN A 39 8.619 8.681 -0.878 1.00 0.00 C ATOM 605 C GLN A 39 8.123 10.087 -1.265 1.00 0.00 C ATOM 606 O GLN A 39 8.792 11.077 -0.966 1.00 0.00 O ATOM 607 CB GLN A 39 9.511 8.031 -1.952 1.00 0.00 C ATOM 608 CG GLN A 39 8.922 7.986 -3.365 1.00 0.00 C ATOM 609 CD GLN A 39 9.905 7.337 -4.337 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.980 7.851 -4.619 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.580 6.181 -4.866 1.00 0.00 N ATOM 0 H GLN A 39 7.364 7.004 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 39 9.252 8.822 -0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.456 8.572 -1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.739 7.012 -1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.987 7.426 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.686 8.996 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.686 5.748 -4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.221 5.716 -5.508 1.00 0.00 H new ATOM 620 N GLN A 40 6.919 10.191 -1.843 1.00 0.00 N ATOM 621 CA GLN A 40 6.272 11.472 -2.152 1.00 0.00 C ATOM 622 C GLN A 40 6.001 12.309 -0.890 1.00 0.00 C ATOM 623 O GLN A 40 6.426 13.460 -0.816 1.00 0.00 O ATOM 624 CB GLN A 40 4.975 11.219 -2.938 1.00 0.00 C ATOM 625 CG GLN A 40 5.263 10.834 -4.400 1.00 0.00 C ATOM 626 CD GLN A 40 4.080 10.189 -5.121 1.00 0.00 C ATOM 627 OE1 GLN A 40 3.005 9.951 -4.585 1.00 0.00 O ATOM 628 NE2 GLN A 40 4.226 9.875 -6.393 1.00 0.00 N ATOM 0 H GLN A 40 6.362 9.380 -2.112 1.00 0.00 H new ATOM 0 HA GLN A 40 6.957 12.056 -2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.407 10.423 -2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.353 12.114 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.564 11.727 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.108 10.146 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.110 10.061 -6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.455 9.446 -6.904 1.00 0.00 H new ATOM 637 N GLN A 41 5.354 11.739 0.133 1.00 0.00 N ATOM 638 CA GLN A 41 5.060 12.458 1.382 1.00 0.00 C ATOM 639 C GLN A 41 6.292 12.691 2.289 1.00 0.00 C ATOM 640 O GLN A 41 6.259 13.577 3.146 1.00 0.00 O ATOM 641 CB GLN A 41 3.880 11.813 2.121 1.00 0.00 C ATOM 642 CG GLN A 41 4.144 10.433 2.733 1.00 0.00 C ATOM 643 CD GLN A 41 2.830 9.710 3.008 1.00 0.00 C ATOM 644 OE1 GLN A 41 2.303 9.707 4.112 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.230 9.118 1.999 1.00 0.00 N ATOM 0 H GLN A 41 5.021 10.775 0.121 1.00 0.00 H new ATOM 0 HA GLN A 41 4.759 13.465 1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.563 12.487 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.045 11.726 1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.757 9.839 2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.707 10.542 3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.665 9.117 1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.330 8.659 2.139 1.00 0.00 H new ATOM 901 N LYS B 115 14.172 2.579 1.811 1.00 0.00 N ATOM 902 CA LYS B 115 13.290 1.932 0.825 1.00 0.00 C ATOM 903 C LYS B 115 13.426 0.405 0.802 1.00 0.00 C ATOM 904 O LYS B 115 12.422 -0.290 0.645 1.00 0.00 O ATOM 905 CB LYS B 115 13.590 2.515 -0.567 1.00 0.00 C ATOM 906 CG LYS B 115 13.220 4.009 -0.666 1.00 0.00 C ATOM 907 CD LYS B 115 13.544 4.549 -2.065 1.00 0.00 C ATOM 908 CE LYS B 115 12.953 5.951 -2.239 1.00 0.00 C ATOM 909 NZ LYS B 115 13.433 6.576 -3.497 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.260 2.139 1.117 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.649 2.389 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.036 1.955 -1.321 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.159 4.142 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS B 115 13.768 4.577 0.086 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.624 4.581 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.140 3.879 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS B 115 11.865 5.892 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS B 115 13.230 6.575 -1.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 12.643 7.064 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 14.183 7.263 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.810 5.840 -4.128 1.00 0.00 H new ATOM 923 N ASP B 116 14.638 -0.118 1.007 1.00 0.00 N ATOM 924 CA ASP B 116 14.911 -1.564 1.052 1.00 0.00 C ATOM 925 C ASP B 116 14.257 -2.209 2.295 1.00 0.00 C ATOM 926 O ASP B 116 13.595 -3.246 2.205 1.00 0.00 O ATOM 927 CB ASP B 116 16.434 -1.770 1.058 1.00 0.00 C ATOM 928 CG ASP B 116 16.875 -3.241 0.952 1.00 0.00 C ATOM 929 OD1 ASP B 116 17.992 -3.563 1.423 1.00 0.00 O ATOM 930 OD2 ASP B 116 16.156 -4.076 0.349 1.00 0.00 O1- ATOM 0 H ASP B 116 15.470 0.455 1.149 1.00 0.00 H new ATOM 0 HA ASP B 116 14.480 -2.049 0.176 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.868 -1.212 0.228 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.843 -1.346 1.975 1.00 0.00 H new ATOM 935 N ASP B 117 14.374 -1.551 3.455 1.00 0.00 N ATOM 936 CA ASP B 117 13.691 -1.962 4.695 1.00 0.00 C ATOM 937 C ASP B 117 12.163 -1.842 4.577 1.00 0.00 C ATOM 938 O ASP B 117 11.428 -2.666 5.124 1.00 0.00 O ATOM 939 CB ASP B 117 14.207 -1.135 5.886 1.00 0.00 C ATOM 940 CG ASP B 117 15.710 -1.306 6.206 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.283 -0.387 6.838 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.316 -2.351 5.865 1.00 0.00 O1- ATOM 0 H ASP B 117 14.947 -0.714 3.564 1.00 0.00 H new ATOM 0 HA ASP B 117 13.921 -3.014 4.865 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.012 -0.081 5.687 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.631 -1.404 6.771 1.00 0.00 H new ATOM 947 N TYR B 118 11.669 -0.855 3.821 1.00 0.00 N ATOM 948 CA TYR B 118 10.240 -0.666 3.578 1.00 0.00 C ATOM 949 C TYR B 118 9.657 -1.802 2.717 1.00 0.00 C ATOM 950 O TYR B 118 8.668 -2.423 3.108 1.00 0.00 O ATOM 951 CB TYR B 118 9.986 0.724 2.967 1.00 0.00 C ATOM 952 CG TYR B 118 8.724 1.373 3.496 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.583 1.529 2.684 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.703 1.804 4.835 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.408 2.091 3.218 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.527 2.352 5.377 1.00 0.00 C ATOM 957 CZ TYR B 118 6.376 2.479 4.575 1.00 0.00 C ATOM 958 OH TYR B 118 5.246 2.976 5.141 1.00 0.00 O ATOM 0 H TYR B 118 12.257 -0.161 3.359 1.00 0.00 H new ATOM 0 HA TYR B 118 9.715 -0.709 4.532 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.838 1.370 3.178 1.00 0.00 H new ATOM 0 HB3 TYR B 118 9.916 0.633 1.883 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.610 1.217 1.650 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.589 1.714 5.446 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.537 2.224 2.594 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.506 2.675 6.407 1.00 0.00 H new ATOM 0 HH TYR B 118 4.492 2.383 4.942 1.00 0.00 H new ATOM 968 N LEU B 119 10.301 -2.162 1.602 1.00 0.00 N ATOM 969 CA LEU B 119 9.908 -3.328 0.788 1.00 0.00 C ATOM 970 C LEU B 119 10.002 -4.646 1.580 1.00 0.00 C ATOM 971 O LEU B 119 9.141 -5.513 1.424 1.00 0.00 O ATOM 972 CB LEU B 119 10.766 -3.370 -0.495 1.00 0.00 C ATOM 973 CG LEU B 119 10.069 -2.737 -1.712 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.630 -1.285 -1.496 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.981 -2.781 -2.933 1.00 0.00 C ATOM 0 H LEU B 119 11.108 -1.658 1.235 1.00 0.00 H new ATOM 0 HA LEU B 119 8.860 -3.218 0.509 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.707 -2.850 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU B 119 11.014 -4.406 -0.725 1.00 0.00 H new ATOM 0 HG LEU B 119 9.170 -3.334 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.148 -0.912 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.928 -1.237 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.502 -0.671 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.472 -2.329 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.897 -2.229 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.227 -3.817 -3.166 1.00 0.00 H new ATOM 987 N SER B 120 10.980 -4.770 2.485 1.00 0.00 N ATOM 988 CA SER B 120 11.089 -5.920 3.391 1.00 0.00 C ATOM 989 C SER B 120 9.887 -6.023 4.351 1.00 0.00 C ATOM 990 O SER B 120 9.239 -7.075 4.405 1.00 0.00 O ATOM 991 CB SER B 120 12.418 -5.862 4.157 1.00 0.00 C ATOM 992 OG SER B 120 12.561 -6.993 5.005 1.00 0.00 O ATOM 0 H SER B 120 11.718 -4.077 2.610 1.00 0.00 H new ATOM 0 HA SER B 120 11.075 -6.826 2.785 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.248 -5.823 3.452 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.461 -4.949 4.751 1.00 0.00 H new ATOM 0 HG SER B 120 13.415 -6.938 5.483 1.00 0.00 H new ATOM 998 N ARG B 121 9.520 -4.935 5.053 1.00 0.00 N ATOM 999 CA ARG B 121 8.380 -4.932 5.997 1.00 0.00 C ATOM 1000 C ARG B 121 7.018 -5.059 5.301 1.00 0.00 C ATOM 1001 O ARG B 121 6.155 -5.766 5.817 1.00 0.00 O ATOM 1002 CB ARG B 121 8.450 -3.738 6.978 1.00 0.00 C ATOM 1003 CG ARG B 121 7.741 -2.462 6.504 1.00 0.00 C ATOM 1004 CD ARG B 121 7.863 -1.307 7.502 1.00 0.00 C ATOM 1005 NE ARG B 121 6.882 -0.251 7.183 1.00 0.00 N ATOM 1006 CZ ARG B 121 5.665 -0.118 7.679 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.188 -0.945 8.568 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 4.893 0.857 7.297 1.00 0.00 N ATOM 0 H ARG B 121 10.000 -4.037 4.985 1.00 0.00 H new ATOM 0 HA ARG B 121 8.475 -5.836 6.598 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.015 -4.044 7.930 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.498 -3.504 7.167 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.160 -2.154 5.546 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.686 -2.680 6.335 1.00 0.00 H new ATOM 0 HD2 ARG B 121 7.697 -1.673 8.515 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.872 -0.897 7.473 1.00 0.00 H new ATOM 0 HE ARG B 121 7.176 0.453 6.506 1.00 0.00 H new ATOM 0 HH11 ARG B 121 5.759 -1.722 8.900 1.00 0.00 H new ATOM 0 HH12 ARG B 121 4.244 -0.814 8.931 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.225 1.530 6.607 1.00 0.00 H new ATOM 0 HH22 ARG B 121 3.955 0.948 7.688 1.00 0.00 H new ATOM 1022 N LEU B 122 6.828 -4.432 4.134 1.00 0.00 N ATOM 1023 CA LEU B 122 5.567 -4.467 3.371 1.00 0.00 C ATOM 1024 C LEU B 122 5.193 -5.892 2.918 1.00 0.00 C ATOM 1025 O LEU B 122 4.009 -6.197 2.766 1.00 0.00 O ATOM 1026 CB LEU B 122 5.668 -3.497 2.179 1.00 0.00 C ATOM 1027 CG LEU B 122 5.138 -2.065 2.429 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.508 -1.419 3.766 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.651 -1.152 1.311 1.00 0.00 C ATOM 0 H LEU B 122 7.555 -3.877 3.683 1.00 0.00 H new ATOM 0 HA LEU B 122 4.759 -4.144 4.027 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.713 -3.430 1.877 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.121 -3.925 1.339 1.00 0.00 H new ATOM 0 HG LEU B 122 4.054 -2.174 2.450 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.077 -0.419 3.819 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.118 -2.026 4.583 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.593 -1.352 3.850 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.286 -0.138 1.473 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.741 -1.150 1.314 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.292 -1.518 0.349 1.00 0.00 H new ATOM 1041 N SER B 123 6.180 -6.778 2.755 1.00 0.00 N ATOM 1042 CA SER B 123 5.960 -8.202 2.456 1.00 0.00 C ATOM 1043 C SER B 123 5.242 -8.976 3.580 1.00 0.00 C ATOM 1044 O SER B 123 4.610 -10.002 3.308 1.00 0.00 O ATOM 1045 CB SER B 123 7.308 -8.870 2.151 1.00 0.00 C ATOM 1046 OG SER B 123 7.100 -10.132 1.536 1.00 0.00 O ATOM 0 H SER B 123 7.166 -6.527 2.827 1.00 0.00 H new ATOM 0 HA SER B 123 5.297 -8.238 1.591 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.899 -8.231 1.495 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.877 -8.995 3.072 1.00 0.00 H new ATOM 0 HG SER B 123 7.966 -10.549 1.344 1.00 0.00 H new ATOM 1052 N ARG B 124 5.316 -8.492 4.831 1.00 0.00 N ATOM 1053 CA ARG B 124 4.835 -9.201 6.036 1.00 0.00 C ATOM 1054 C ARG B 124 3.345 -9.003 6.346 1.00 0.00 C ATOM 1055 O ARG B 124 2.776 -9.800 7.096 1.00 0.00 O ATOM 1056 CB ARG B 124 5.689 -8.783 7.252 1.00 0.00 C ATOM 1057 CG ARG B 124 7.216 -8.886 7.068 1.00 0.00 C ATOM 1058 CD ARG B 124 7.709 -10.252 6.568 1.00 0.00 C ATOM 1059 NE ARG B 124 7.375 -11.342 7.506 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.566 -12.636 7.312 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.098 -13.100 6.213 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.214 -13.503 8.222 1.00 0.00 N ATOM 0 H ARG B 124 5.719 -7.579 5.041 1.00 0.00 H new ATOM 0 HA ARG B 124 4.947 -10.264 5.825 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.442 -7.753 7.509 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.402 -9.401 8.103 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.536 -8.119 6.363 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.699 -8.666 8.020 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.265 -10.463 5.595 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.789 -10.216 6.424 1.00 0.00 H new ATOM 0 HE ARG B 124 6.954 -11.069 8.394 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.380 -12.458 5.472 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.231 -14.104 6.095 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.787 -13.184 9.092 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.365 -14.499 8.063 1.00 0.00 H new ATOM 1076 N LEU B 125 2.715 -7.952 5.815 1.00 0.00 N ATOM 1077 CA LEU B 125 1.307 -7.628 6.084 1.00 0.00 C ATOM 1078 C LEU B 125 0.327 -8.636 5.456 1.00 0.00 C ATOM 1079 O LEU B 125 0.547 -9.144 4.350 1.00 0.00 O ATOM 1080 CB LEU B 125 0.961 -6.205 5.590 1.00 0.00 C ATOM 1081 CG LEU B 125 1.498 -4.989 6.375 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.597 -5.187 7.891 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.857 -4.535 5.856 1.00 0.00 C ATOM 0 H LEU B 125 3.169 -7.295 5.181 1.00 0.00 H new ATOM 0 HA LEU B 125 1.191 -7.682 7.166 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.317 -6.117 4.564 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.125 -6.123 5.559 1.00 0.00 H new ATOM 0 HG LEU B 125 0.744 -4.222 6.201 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.984 -4.278 8.352 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.608 -5.406 8.295 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.269 -6.018 8.106 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.200 -3.677 6.435 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.575 -5.349 5.955 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.770 -4.253 4.807 1.00 0.00 H new ATOM 1095 N SER B 126 -0.793 -8.873 6.146 1.00 0.00 N ATOM 1096 CA SER B 126 -1.995 -9.517 5.593 1.00 0.00 C ATOM 1097 C SER B 126 -2.682 -8.642 4.522 1.00 0.00 C ATOM 1098 O SER B 126 -2.426 -7.435 4.437 1.00 0.00 O ATOM 1099 CB SER B 126 -2.949 -9.846 6.749 1.00 0.00 C ATOM 1100 OG SER B 126 -4.106 -10.523 6.284 1.00 0.00 O ATOM 0 H SER B 126 -0.894 -8.617 7.128 1.00 0.00 H new ATOM 0 HA SER B 126 -1.704 -10.437 5.086 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.434 -10.464 7.484 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.242 -8.926 7.255 1.00 0.00 H new ATOM 0 HG SER B 126 -4.695 -10.722 7.041 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.582 -9.222 3.716 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.292 -8.542 2.615 1.00 0.00 C ATOM 1108 C LYS B 127 -5.065 -7.298 3.068 1.00 0.00 C ATOM 1109 O LYS B 127 -5.022 -6.260 2.408 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.260 -9.551 1.950 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.508 -9.236 0.467 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.359 -9.691 -0.452 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.464 -9.119 -1.876 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.698 -9.534 -2.592 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.846 -10.203 3.811 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.541 -8.193 1.906 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.850 -10.557 2.041 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -6.210 -9.544 2.484 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.432 -9.720 0.149 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.654 -8.162 0.350 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.409 -9.387 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.352 -10.780 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.432 -8.031 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.595 -9.437 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.550 -9.447 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.920 -10.523 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.489 -8.924 -2.303 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.727 -7.385 4.221 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.459 -6.282 4.842 1.00 0.00 C ATOM 1130 C ASN B 128 -5.511 -5.207 5.429 1.00 0.00 C ATOM 1131 O ASN B 128 -5.805 -4.010 5.365 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.382 -6.891 5.912 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.498 -7.756 5.334 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -9.092 -7.452 4.305 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.818 -8.868 5.967 1.00 0.00 N ATOM 0 H ASN B 128 -5.770 -8.248 4.763 1.00 0.00 H new ATOM 0 HA ASN B 128 -7.051 -5.756 4.093 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -6.784 -7.493 6.596 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.824 -6.086 6.499 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -9.556 -9.469 5.600 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -8.328 -9.127 6.823 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.356 -5.614 5.962 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.356 -4.722 6.563 1.00 0.00 C ATOM 1144 C GLN B 129 -2.594 -3.900 5.512 1.00 0.00 C ATOM 1145 O GLN B 129 -2.432 -2.692 5.685 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.377 -5.544 7.414 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.024 -6.174 8.665 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.088 -7.141 9.393 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.155 -7.709 8.837 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.314 -7.390 10.666 1.00 0.00 N ATOM 0 H GLN B 129 -4.082 -6.596 5.989 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.886 -4.010 7.195 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.950 -6.336 6.798 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.553 -4.903 7.726 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.325 -5.382 9.350 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.930 -6.704 8.372 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.085 -6.928 11.147 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.718 -8.045 11.171 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.168 -4.505 4.394 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.528 -3.778 3.285 1.00 0.00 C ATOM 1161 C LEU B 130 -2.496 -2.795 2.602 1.00 0.00 C ATOM 1162 O LEU B 130 -2.083 -1.700 2.214 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.849 -4.757 2.297 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.764 -5.733 1.532 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.313 -5.178 0.212 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -1.001 -7.013 1.197 1.00 0.00 C ATOM 0 H LEU B 130 -2.256 -5.508 4.232 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.734 -3.158 3.703 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.296 -4.169 1.565 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.118 -5.344 2.852 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.606 -5.913 2.200 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.947 -5.927 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.899 -4.280 0.410 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.484 -4.931 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.656 -7.696 0.657 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.138 -6.770 0.577 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.663 -7.487 2.119 1.00 0.00 H new ATOM 1178 N MET B 131 -3.790 -3.136 2.530 1.00 0.00 N ATOM 1179 CA MET B 131 -4.835 -2.235 2.038 1.00 0.00 C ATOM 1180 C MET B 131 -5.003 -1.021 2.964 1.00 0.00 C ATOM 1181 O MET B 131 -4.968 0.118 2.498 1.00 0.00 O ATOM 1182 CB MET B 131 -6.167 -2.997 1.927 1.00 0.00 C ATOM 1183 CG MET B 131 -6.384 -3.552 0.524 1.00 0.00 C ATOM 1184 SD MET B 131 -8.034 -4.266 0.273 1.00 0.00 S ATOM 1185 CE MET B 131 -7.718 -5.971 0.782 1.00 0.00 C ATOM 0 H MET B 131 -4.141 -4.051 2.814 1.00 0.00 H new ATOM 0 HA MET B 131 -4.538 -1.872 1.054 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.180 -3.815 2.648 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.990 -2.331 2.186 1.00 0.00 H new ATOM 0 HG2 MET B 131 -6.228 -2.754 -0.202 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.632 -4.316 0.324 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.596 -6.582 0.573 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.864 -6.363 0.230 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.503 -5.998 1.850 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.132 -1.252 4.276 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.238 -0.187 5.270 1.00 0.00 C ATOM 1197 C ALA B 132 -4.001 0.731 5.284 1.00 0.00 C ATOM 1198 O ALA B 132 -4.152 1.950 5.324 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.478 -0.828 6.640 1.00 0.00 C ATOM 0 H ALA B 132 -5.166 -2.190 4.676 1.00 0.00 H new ATOM 0 HA ALA B 132 -6.078 0.457 5.009 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.560 -0.048 7.397 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.401 -1.407 6.614 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.644 -1.485 6.885 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.793 0.165 5.187 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.535 0.903 5.143 1.00 0.00 C ATOM 1207 C LEU B 133 -1.423 1.787 3.891 1.00 0.00 C ATOM 1208 O LEU B 133 -1.128 2.973 4.011 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.364 -0.097 5.245 1.00 0.00 C ATOM 1210 CG LEU B 133 1.040 0.534 5.162 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.318 1.492 6.326 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.104 -0.565 5.185 1.00 0.00 C ATOM 0 H LEU B 133 -2.665 -0.846 5.136 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.499 1.586 5.992 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.448 -0.637 6.188 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.463 -0.832 4.447 1.00 0.00 H new ATOM 0 HG LEU B 133 1.078 1.099 4.231 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.319 1.910 6.222 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.585 2.299 6.316 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.248 0.949 7.269 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.094 -0.114 5.126 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.019 -1.134 6.111 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.958 -1.231 4.335 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.687 1.247 2.700 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.623 2.015 1.455 1.00 0.00 C ATOM 1226 C ALA B 134 -2.691 3.132 1.402 1.00 0.00 C ATOM 1227 O ALA B 134 -2.400 4.237 0.941 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.742 1.038 0.283 1.00 0.00 C ATOM 0 H ALA B 134 -1.950 0.270 2.571 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.666 2.534 1.396 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.697 1.589 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.922 0.321 0.323 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.692 0.507 0.347 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.895 2.885 1.933 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.945 3.899 2.073 1.00 0.00 C ATOM 1236 C LEU B 135 -4.554 4.998 3.078 1.00 0.00 C ATOM 1237 O LEU B 135 -4.706 6.182 2.780 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.264 3.176 2.425 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.557 4.018 2.504 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.703 4.824 3.797 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.702 4.956 1.307 1.00 0.00 C ATOM 0 H LEU B 135 -4.169 1.966 2.281 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.084 4.433 1.133 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.422 2.391 1.685 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.128 2.683 3.388 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.359 3.280 2.492 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.636 5.386 3.772 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.711 4.145 4.650 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.865 5.515 3.891 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.624 5.529 1.403 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -6.853 5.639 1.275 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.732 4.371 0.388 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.986 4.625 4.236 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.455 5.558 5.253 1.00 0.00 C ATOM 1255 C LYS B 136 -2.325 6.440 4.704 1.00 0.00 C ATOM 1256 O LYS B 136 -2.273 7.633 5.005 1.00 0.00 O ATOM 1257 CB LYS B 136 -3.008 4.742 6.477 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.466 5.605 7.624 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.154 4.740 8.854 1.00 0.00 C ATOM 1260 CE LYS B 136 -1.567 5.603 9.974 1.00 0.00 C ATOM 1261 NZ LYS B 136 -1.281 4.797 11.188 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.879 3.646 4.501 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.243 6.251 5.547 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.852 4.156 6.841 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.238 4.034 6.170 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.564 6.124 7.300 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.197 6.370 7.887 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -3.063 4.249 9.202 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -1.450 3.953 8.585 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -0.649 6.078 9.626 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -2.265 6.403 10.223 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -0.884 5.412 11.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -2.162 4.364 11.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -0.596 4.050 10.955 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.452 5.889 3.861 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.435 6.640 3.105 1.00 0.00 C ATOM 1277 C LEU B 137 -1.075 7.592 2.081 1.00 0.00 C ATOM 1278 O LEU B 137 -0.613 8.727 1.946 1.00 0.00 O ATOM 1279 CB LEU B 137 0.515 5.638 2.422 1.00 0.00 C ATOM 1280 CG LEU B 137 1.840 5.367 3.163 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.691 5.032 4.652 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.551 4.195 2.486 1.00 0.00 C ATOM 0 H LEU B 137 -1.427 4.886 3.677 1.00 0.00 H new ATOM 0 HA LEU B 137 0.132 7.266 3.794 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.012 4.692 2.298 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.747 6.007 1.423 1.00 0.00 H new ATOM 0 HG LEU B 137 2.405 6.298 3.108 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.676 4.858 5.086 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.210 5.864 5.166 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.081 4.135 4.764 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.490 3.993 3.001 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.916 3.310 2.529 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.754 4.445 1.445 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.132 7.169 1.373 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.793 7.989 0.346 1.00 0.00 C ATOM 1296 C LYS B 138 -3.468 9.234 0.930 1.00 0.00 C ATOM 1297 O LYS B 138 -3.224 10.334 0.438 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.778 7.141 -0.484 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.373 7.895 -1.692 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.306 8.418 -2.675 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.880 9.032 -3.953 1.00 0.00 C ATOM 1302 NZ LYS B 138 -4.554 8.024 -4.809 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.553 6.248 1.496 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.014 8.353 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.265 6.248 -0.840 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.590 6.806 0.161 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.053 7.231 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -4.966 8.735 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.696 9.166 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.643 7.596 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.591 9.815 -3.690 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -3.077 9.507 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -4.252 8.149 -5.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -4.298 7.069 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -5.585 8.147 -4.744 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.276 9.093 1.982 1.00 0.00 N ATOM 1317 CA GLN B 139 -4.995 10.230 2.585 1.00 0.00 C ATOM 1318 C GLN B 139 -4.046 11.306 3.158 1.00 0.00 C ATOM 1319 O GLN B 139 -4.365 12.496 3.110 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.014 9.727 3.629 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.384 9.074 4.870 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.409 8.744 5.952 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -6.406 9.296 7.044 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.340 7.848 5.698 1.00 0.00 N ATOM 0 H GLN B 139 -4.453 8.199 2.440 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.546 10.730 1.788 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.631 10.566 3.949 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.678 9.006 3.152 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -4.870 8.160 4.572 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.630 9.743 5.283 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.361 7.376 4.794 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.041 7.626 6.405 1.00 0.00 H new ATOM 1333 N GLN B 140 -2.856 10.916 3.637 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.831 11.840 4.137 1.00 0.00 C ATOM 1335 C GLN B 140 -1.268 12.740 3.024 1.00 0.00 C ATOM 1336 O GLN B 140 -1.205 13.959 3.193 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.703 11.054 4.814 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.096 10.633 6.236 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.024 9.763 6.882 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.867 10.234 7.581 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.068 8.463 6.672 1.00 0.00 N ATOM 0 H GLN B 140 -2.576 9.937 3.688 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.305 12.495 4.868 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.467 10.170 4.222 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.199 11.665 4.849 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.261 11.521 6.846 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.039 10.087 6.207 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -0.806 8.065 6.092 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.636 7.855 7.090 1.00 0.00 H new