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 27 LYS NZ :NH3+ -163:sc= 0.881 (180deg=1.03) USER MOD Set 1.2: B 123 SER OG : rot 180:sc= 0.286 USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 131 MET CE :methyl -169:sc= 0 (180deg=-0.023) 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 -99:sc= 0.472 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 29 GLN : amide:sc= 0.632 K(o=0.63,f=-4.2!) USER MOD Single : A 31 MET CE :methyl -163:sc= -0.0481 (180deg=-0.221) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00473) USER MOD Single : A 39 GLN : amide:sc= -0.476 X(o=-0.48,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.016) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 127 LYS NZ :NH3+ -172:sc= 0.885 (180deg=0.843) USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 129 GLN : amide:sc= 0.54 K(o=0.54,f=-3.7!) 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= -0.268 X(o=-0.27,f=0) USER MOD Single : B 140 GLN : amide:sc= 0.738 K(o=0.74,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.315 7.798 -2.365 1.00 0.00 N ATOM 165 CA TRP A 14 -13.139 7.316 -3.114 1.00 0.00 C ATOM 166 C TRP A 14 -12.400 6.160 -2.404 1.00 0.00 C ATOM 167 O TRP A 14 -11.753 5.341 -3.059 1.00 0.00 O ATOM 168 CB TRP A 14 -12.190 8.506 -3.351 1.00 0.00 C ATOM 169 CG TRP A 14 -11.489 9.060 -2.141 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.921 10.098 -1.387 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.245 8.610 -1.513 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.051 10.304 -0.335 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.995 9.418 -0.360 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.308 7.591 -1.797 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.884 9.211 0.476 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.193 7.375 -0.965 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.979 8.179 0.170 1.00 0.00 C ATOM 0 HA TRP A 14 -13.486 6.907 -4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.433 8.199 -4.073 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.762 9.311 -3.812 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.812 10.678 -1.579 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.175 11.025 0.376 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.450 6.967 -2.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.727 9.837 1.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.495 6.585 -1.200 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.122 8.004 0.804 1.00 0.00 H new ATOM 188 N LYS A 15 -12.519 6.075 -1.074 1.00 0.00 N ATOM 189 CA LYS A 15 -11.770 5.155 -0.194 1.00 0.00 C ATOM 190 C LYS A 15 -12.098 3.679 -0.447 1.00 0.00 C ATOM 191 O LYS A 15 -11.191 2.851 -0.532 1.00 0.00 O ATOM 192 CB LYS A 15 -12.049 5.535 1.273 1.00 0.00 C ATOM 193 CG LYS A 15 -11.505 6.936 1.606 1.00 0.00 C ATOM 194 CD LYS A 15 -11.987 7.425 2.972 1.00 0.00 C ATOM 195 CE LYS A 15 -11.413 8.826 3.230 1.00 0.00 C ATOM 196 NZ LYS A 15 -12.015 9.466 4.425 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.166 6.668 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.709 5.265 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.123 5.507 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.591 4.799 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.415 6.915 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.820 7.640 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.076 7.453 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.666 6.736 3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.333 8.756 3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.587 9.455 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.598 10.409 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.042 9.558 4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.827 8.881 5.264 1.00 0.00 H new ATOM 210 N ASP A 16 -13.380 3.357 -0.633 1.00 0.00 N ATOM 211 CA ASP A 16 -13.846 1.994 -0.926 1.00 0.00 C ATOM 212 C ASP A 16 -13.370 1.508 -2.314 1.00 0.00 C ATOM 213 O ASP A 16 -12.941 0.363 -2.472 1.00 0.00 O ATOM 214 CB ASP A 16 -15.385 1.980 -0.842 1.00 0.00 C ATOM 215 CG ASP A 16 -16.009 0.574 -0.961 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.397 -0.422 -0.500 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.150 0.468 -1.475 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.135 4.041 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.421 1.308 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.691 2.422 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.787 2.613 -1.633 1.00 0.00 H new ATOM 222 N ASP A 17 -13.356 2.405 -3.307 1.00 0.00 N ATOM 223 CA ASP A 17 -12.793 2.143 -4.640 1.00 0.00 C ATOM 224 C ASP A 17 -11.263 1.995 -4.594 1.00 0.00 C ATOM 225 O ASP A 17 -10.698 1.184 -5.329 1.00 0.00 O ATOM 226 CB ASP A 17 -13.195 3.250 -5.630 1.00 0.00 C ATOM 227 CG ASP A 17 -14.706 3.362 -5.905 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.144 4.425 -6.411 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.467 2.391 -5.673 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.740 3.345 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.207 1.196 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.839 4.206 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.681 3.075 -6.575 1.00 0.00 H new ATOM 234 N TYR A 18 -10.582 2.736 -3.706 1.00 0.00 N ATOM 235 CA TYR A 18 -9.134 2.614 -3.518 1.00 0.00 C ATOM 236 C TYR A 18 -8.761 1.261 -2.885 1.00 0.00 C ATOM 237 O TYR A 18 -7.857 0.583 -3.372 1.00 0.00 O ATOM 238 CB TYR A 18 -8.584 3.815 -2.737 1.00 0.00 C ATOM 239 CG TYR A 18 -7.119 4.097 -3.027 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.122 3.825 -2.068 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.757 4.619 -4.282 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.765 4.064 -2.374 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.403 4.844 -4.600 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.400 4.556 -3.648 1.00 0.00 C ATOM 245 OH TYR A 18 -3.096 4.759 -3.975 1.00 0.00 O ATOM 0 H TYR A 18 -11.020 3.432 -3.103 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.655 2.630 -4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.173 4.699 -2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.708 3.634 -1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.397 3.434 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.523 4.849 -5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.004 3.870 -1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.133 5.236 -5.569 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.038 5.099 -4.892 1.00 0.00 H new ATOM 255 N LEU A 19 -9.497 0.795 -1.872 1.00 0.00 N ATOM 256 CA LEU A 19 -9.365 -0.575 -1.353 1.00 0.00 C ATOM 257 C LEU A 19 -9.638 -1.622 -2.447 1.00 0.00 C ATOM 258 O LEU A 19 -8.858 -2.565 -2.601 1.00 0.00 O ATOM 259 CB LEU A 19 -10.300 -0.772 -0.143 1.00 0.00 C ATOM 260 CG LEU A 19 -9.588 -0.610 1.210 1.00 0.00 C ATOM 261 CD1 LEU A 19 -9.005 0.785 1.433 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.561 -0.902 2.351 1.00 0.00 C ATOM 0 H LEU A 19 -10.200 1.353 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.336 -0.720 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.117 -0.053 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.745 -1.766 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.761 -1.320 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.518 0.824 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.275 1.003 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.806 1.524 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.048 -0.785 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.399 -0.207 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.931 -1.923 2.261 1.00 0.00 H new ATOM 274 N SER A 20 -10.698 -1.449 -3.243 1.00 0.00 N ATOM 275 CA SER A 20 -11.054 -2.385 -4.321 1.00 0.00 C ATOM 276 C SER A 20 -9.927 -2.538 -5.355 1.00 0.00 C ATOM 277 O SER A 20 -9.585 -3.669 -5.714 1.00 0.00 O ATOM 278 CB SER A 20 -12.349 -1.940 -5.012 1.00 0.00 C ATOM 279 OG SER A 20 -12.708 -2.851 -6.041 1.00 0.00 O ATOM 0 H SER A 20 -11.335 -0.657 -3.160 1.00 0.00 H new ATOM 0 HA SER A 20 -11.208 -3.361 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.154 -1.875 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.219 -0.943 -5.432 1.00 0.00 H new ATOM 0 HG SER A 20 -12.422 -2.495 -6.908 1.00 0.00 H new ATOM 285 N ARG A 21 -9.296 -1.438 -5.802 1.00 0.00 N ATOM 286 CA ARG A 21 -8.195 -1.484 -6.785 1.00 0.00 C ATOM 287 C ARG A 21 -6.873 -1.985 -6.191 1.00 0.00 C ATOM 288 O ARG A 21 -6.156 -2.724 -6.862 1.00 0.00 O ATOM 289 CB ARG A 21 -8.063 -0.140 -7.525 1.00 0.00 C ATOM 290 CG ARG A 21 -7.299 0.953 -6.764 1.00 0.00 C ATOM 291 CD ARG A 21 -7.375 2.322 -7.458 1.00 0.00 C ATOM 292 NE ARG A 21 -6.769 2.315 -8.806 1.00 0.00 N ATOM 293 CZ ARG A 21 -5.486 2.409 -9.107 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.558 2.544 -8.196 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -5.094 2.373 -10.352 1.00 0.00 N ATOM 0 H ARG A 21 -9.532 -0.495 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.458 -2.235 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.562 -0.315 -8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.062 0.230 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.704 1.038 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.254 0.658 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.418 2.628 -7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.870 3.065 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.413 2.228 -9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.814 2.580 -7.209 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.579 2.613 -8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.780 2.272 -11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.102 2.446 -10.577 1.00 0.00 H new ATOM 309 N LEU A 22 -6.567 -1.654 -4.931 1.00 0.00 N ATOM 310 CA LEU A 22 -5.371 -2.138 -4.217 1.00 0.00 C ATOM 311 C LEU A 22 -5.373 -3.665 -4.026 1.00 0.00 C ATOM 312 O LEU A 22 -4.332 -4.306 -4.169 1.00 0.00 O ATOM 313 CB LEU A 22 -5.260 -1.435 -2.853 1.00 0.00 C ATOM 314 CG LEU A 22 -4.397 -0.157 -2.816 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.567 0.812 -3.990 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.716 0.582 -1.517 1.00 0.00 C ATOM 0 H LEU A 22 -7.149 -1.034 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.505 -1.896 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.265 -1.180 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.853 -2.145 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.363 -0.495 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.910 1.670 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.311 0.305 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.602 1.151 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.120 1.493 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.775 0.839 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.481 -0.058 -0.667 1.00 0.00 H new ATOM 328 N SER A 23 -6.541 -4.252 -3.763 1.00 0.00 N ATOM 329 CA SER A 23 -6.745 -5.708 -3.640 1.00 0.00 C ATOM 330 C SER A 23 -6.347 -6.520 -4.890 1.00 0.00 C ATOM 331 O SER A 23 -6.118 -7.728 -4.791 1.00 0.00 O ATOM 332 CB SER A 23 -8.219 -5.980 -3.290 1.00 0.00 C ATOM 333 OG SER A 23 -8.435 -7.322 -2.886 1.00 0.00 O ATOM 0 H SER A 23 -7.399 -3.719 -3.625 1.00 0.00 H new ATOM 0 HA SER A 23 -6.077 -6.046 -2.847 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.531 -5.307 -2.491 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.843 -5.758 -4.156 1.00 0.00 H new ATOM 0 HG SER A 23 -9.383 -7.451 -2.672 1.00 0.00 H new ATOM 339 N ARG A 24 -6.256 -5.889 -6.074 1.00 0.00 N ATOM 340 CA ARG A 24 -5.970 -6.568 -7.358 1.00 0.00 C ATOM 341 C ARG A 24 -4.481 -6.852 -7.596 1.00 0.00 C ATOM 342 O ARG A 24 -4.148 -7.742 -8.381 1.00 0.00 O ATOM 343 CB ARG A 24 -6.503 -5.724 -8.530 1.00 0.00 C ATOM 344 CG ARG A 24 -7.928 -5.181 -8.364 1.00 0.00 C ATOM 345 CD ARG A 24 -8.944 -6.236 -7.930 1.00 0.00 C ATOM 346 NE ARG A 24 -10.260 -5.615 -7.702 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.416 -5.837 -8.298 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.554 -6.731 -9.237 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.460 -5.143 -7.958 1.00 0.00 N ATOM 0 H ARG A 24 -6.380 -4.881 -6.171 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.476 -7.532 -7.300 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.828 -4.882 -8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.468 -6.330 -9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.917 -4.377 -7.628 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.253 -4.744 -9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.026 -7.008 -8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.603 -6.726 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.281 -4.904 -6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.752 -7.287 -9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.464 -6.874 -9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.384 -4.430 -7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.356 -5.311 -8.416 1.00 0.00 H new ATOM 363 N LEU A 25 -3.602 -6.096 -6.938 1.00 0.00 N ATOM 364 CA LEU A 25 -2.144 -6.161 -7.134 1.00 0.00 C ATOM 365 C LEU A 25 -1.501 -7.439 -6.559 1.00 0.00 C ATOM 366 O LEU A 25 -1.872 -7.933 -5.488 1.00 0.00 O ATOM 367 CB LEU A 25 -1.451 -4.908 -6.555 1.00 0.00 C ATOM 368 CG LEU A 25 -1.599 -3.562 -7.303 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.716 -3.677 -8.821 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.783 -2.751 -6.792 1.00 0.00 C ATOM 0 H LEU A 25 -3.883 -5.407 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.992 -6.194 -8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.823 -4.764 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.386 -5.127 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.661 -3.051 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.816 -2.682 -9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.823 -4.159 -9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.593 -4.273 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.848 -1.814 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.702 -3.320 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.647 -2.537 -5.732 1.00 0.00 H new ATOM 382 N SER A 26 -0.475 -7.930 -7.263 1.00 0.00 N ATOM 383 CA SER A 26 0.479 -8.948 -6.794 1.00 0.00 C ATOM 384 C SER A 26 1.452 -8.385 -5.741 1.00 0.00 C ATOM 385 O SER A 26 1.575 -7.164 -5.578 1.00 0.00 O ATOM 386 CB SER A 26 1.236 -9.505 -8.009 1.00 0.00 C ATOM 387 OG SER A 26 2.071 -10.595 -7.653 1.00 0.00 O ATOM 0 H SER A 26 -0.276 -7.618 -8.214 1.00 0.00 H new ATOM 0 HA SER A 26 -0.071 -9.750 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.521 -9.826 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.840 -8.715 -8.455 1.00 0.00 H new ATOM 0 HG SER A 26 2.536 -10.925 -8.450 1.00 0.00 H new ATOM 393 N LYS A 27 2.183 -9.253 -5.026 1.00 0.00 N ATOM 394 CA LYS A 27 3.076 -8.902 -3.900 1.00 0.00 C ATOM 395 C LYS A 27 4.135 -7.850 -4.253 1.00 0.00 C ATOM 396 O LYS A 27 4.407 -6.950 -3.461 1.00 0.00 O ATOM 397 CB LYS A 27 3.758 -10.190 -3.397 1.00 0.00 C ATOM 398 CG LYS A 27 4.104 -10.139 -1.898 1.00 0.00 C ATOM 399 CD LYS A 27 2.868 -10.404 -1.017 1.00 0.00 C ATOM 400 CE LYS A 27 3.155 -10.210 0.477 1.00 0.00 C ATOM 401 NZ LYS A 27 4.162 -11.167 1.002 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.172 -10.255 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 27 2.458 -8.450 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.101 -11.040 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.670 -10.360 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.873 -10.879 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.522 -9.162 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.062 -9.735 -1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.517 -11.422 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.507 -9.192 0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.227 -10.323 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.109 -11.191 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.969 -12.116 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.113 -10.865 0.710 1.00 0.00 H new ATOM 415 N ASN A 28 4.712 -7.943 -5.450 1.00 0.00 N ATOM 416 CA ASN A 28 5.726 -7.013 -5.954 1.00 0.00 C ATOM 417 C ASN A 28 5.123 -5.693 -6.492 1.00 0.00 C ATOM 418 O ASN A 28 5.764 -4.641 -6.446 1.00 0.00 O ATOM 419 CB ASN A 28 6.535 -7.751 -7.032 1.00 0.00 C ATOM 420 CG ASN A 28 7.362 -8.911 -6.489 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.926 -8.861 -5.405 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.454 -9.999 -7.225 1.00 0.00 N ATOM 0 H ASN A 28 4.483 -8.684 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 28 6.373 -6.707 -5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.851 -8.128 -7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.200 -7.041 -7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.994 -10.797 -6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.985 -10.044 -8.130 1.00 0.00 H new ATOM 429 N GLN A 29 3.879 -5.728 -6.979 1.00 0.00 N ATOM 430 CA GLN A 29 3.147 -4.564 -7.497 1.00 0.00 C ATOM 431 C GLN A 29 2.615 -3.661 -6.368 1.00 0.00 C ATOM 432 O GLN A 29 2.733 -2.436 -6.445 1.00 0.00 O ATOM 433 CB GLN A 29 1.993 -5.048 -8.390 1.00 0.00 C ATOM 434 CG GLN A 29 2.459 -5.793 -9.649 1.00 0.00 C ATOM 435 CD GLN A 29 1.300 -6.453 -10.409 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.240 -6.759 -9.870 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.450 -6.723 -11.688 1.00 0.00 N ATOM 0 H GLN A 29 3.336 -6.590 -7.026 1.00 0.00 H new ATOM 0 HA GLN A 29 3.840 -3.960 -8.082 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.346 -5.705 -7.808 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.391 -4.190 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.971 -5.095 -10.311 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.185 -6.556 -9.367 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.320 -6.480 -12.162 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.696 -7.175 -12.206 1.00 0.00 H new ATOM 446 N LEU A 30 2.076 -4.250 -5.295 1.00 0.00 N ATOM 447 CA LEU A 30 1.623 -3.503 -4.110 1.00 0.00 C ATOM 448 C LEU A 30 2.790 -2.850 -3.344 1.00 0.00 C ATOM 449 O LEU A 30 2.606 -1.793 -2.737 1.00 0.00 O ATOM 450 CB LEU A 30 0.727 -4.390 -3.222 1.00 0.00 C ATOM 451 CG LEU A 30 1.380 -5.614 -2.542 1.00 0.00 C ATOM 452 CD1 LEU A 30 2.076 -5.286 -1.216 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.322 -6.689 -2.274 1.00 0.00 C ATOM 0 H LEU A 30 1.940 -5.258 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 30 1.010 -2.668 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.300 -3.761 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.102 -4.748 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 30 2.143 -5.966 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.510 -6.194 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.864 -4.554 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.349 -4.876 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.790 -7.549 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.450 -6.284 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.128 -7.000 -3.217 1.00 0.00 H new ATOM 465 N MET A 31 4.000 -3.418 -3.430 1.00 0.00 N ATOM 466 CA MET A 31 5.223 -2.790 -2.925 1.00 0.00 C ATOM 467 C MET A 31 5.555 -1.504 -3.684 1.00 0.00 C ATOM 468 O MET A 31 5.786 -0.470 -3.062 1.00 0.00 O ATOM 469 CB MET A 31 6.410 -3.754 -3.023 1.00 0.00 C ATOM 470 CG MET A 31 6.424 -4.779 -1.886 1.00 0.00 C ATOM 471 SD MET A 31 7.812 -5.935 -2.017 1.00 0.00 S ATOM 472 CE MET A 31 7.083 -7.342 -1.145 1.00 0.00 C ATOM 0 H MET A 31 4.156 -4.332 -3.855 1.00 0.00 H new ATOM 0 HA MET A 31 5.042 -2.539 -1.880 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.373 -4.276 -3.979 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.339 -3.185 -3.007 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.478 -4.257 -0.931 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.488 -5.337 -1.892 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.870 -8.038 -0.855 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.565 -6.989 -0.254 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.374 -7.848 -1.800 1.00 0.00 H new ATOM 482 N ALA A 32 5.530 -1.541 -5.021 1.00 0.00 N ATOM 483 CA ALA A 32 5.790 -0.369 -5.855 1.00 0.00 C ATOM 484 C ALA A 32 4.758 0.749 -5.609 1.00 0.00 C ATOM 485 O ALA A 32 5.128 1.918 -5.485 1.00 0.00 O ATOM 486 CB ALA A 32 5.823 -0.819 -7.326 1.00 0.00 C ATOM 0 H ALA A 32 5.328 -2.387 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 32 6.756 0.062 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.016 0.042 -7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.613 -1.557 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.863 -1.261 -7.593 1.00 0.00 H new ATOM 492 N LEU A 33 3.475 0.388 -5.457 1.00 0.00 N ATOM 493 CA LEU A 33 2.388 1.307 -5.098 1.00 0.00 C ATOM 494 C LEU A 33 2.631 1.977 -3.734 1.00 0.00 C ATOM 495 O LEU A 33 2.672 3.204 -3.645 1.00 0.00 O ATOM 496 CB LEU A 33 1.059 0.521 -5.167 1.00 0.00 C ATOM 497 CG LEU A 33 -0.267 1.268 -4.906 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.521 1.613 -3.432 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.396 2.533 -5.752 1.00 0.00 C ATOM 0 H LEU A 33 3.159 -0.573 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 33 2.342 2.135 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.994 0.071 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.123 -0.297 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.033 0.552 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.473 2.136 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.552 0.696 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.281 2.253 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.345 3.022 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.425 3.212 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.360 2.269 -6.809 1.00 0.00 H new ATOM 511 N ALA A 34 2.842 1.187 -2.676 1.00 0.00 N ATOM 512 CA ALA A 34 3.042 1.702 -1.323 1.00 0.00 C ATOM 513 C ALA A 34 4.338 2.524 -1.175 1.00 0.00 C ATOM 514 O ALA A 34 4.333 3.551 -0.499 1.00 0.00 O ATOM 515 CB ALA A 34 2.996 0.514 -0.356 1.00 0.00 C ATOM 0 H ALA A 34 2.878 0.169 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 34 2.244 2.406 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.143 0.869 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.027 0.020 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.785 -0.193 -0.611 1.00 0.00 H new ATOM 521 N LEU A 35 5.431 2.145 -1.853 1.00 0.00 N ATOM 522 CA LEU A 35 6.692 2.899 -1.882 1.00 0.00 C ATOM 523 C LEU A 35 6.517 4.258 -2.586 1.00 0.00 C ATOM 524 O LEU A 35 6.975 5.282 -2.070 1.00 0.00 O ATOM 525 CB LEU A 35 7.765 2.000 -2.541 1.00 0.00 C ATOM 526 CG LEU A 35 9.242 2.426 -2.484 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.578 3.692 -3.275 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.740 2.613 -1.051 1.00 0.00 C ATOM 0 H LEU A 35 5.464 1.289 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 35 7.018 3.147 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.691 1.013 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.497 1.886 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 35 9.757 1.591 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.641 3.912 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.337 3.539 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.996 4.528 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.788 2.913 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.148 3.384 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.640 1.675 -0.506 1.00 0.00 H new ATOM 540 N LYS A 36 5.796 4.295 -3.718 1.00 0.00 N ATOM 541 CA LYS A 36 5.441 5.531 -4.444 1.00 0.00 C ATOM 542 C LYS A 36 4.593 6.485 -3.588 1.00 0.00 C ATOM 543 O LYS A 36 4.787 7.701 -3.651 1.00 0.00 O ATOM 544 CB LYS A 36 4.743 5.152 -5.760 1.00 0.00 C ATOM 545 CG LYS A 36 4.433 6.374 -6.638 1.00 0.00 C ATOM 546 CD LYS A 36 3.938 5.988 -8.044 1.00 0.00 C ATOM 547 CE LYS A 36 2.600 5.233 -8.010 1.00 0.00 C ATOM 548 NZ LYS A 36 2.111 4.928 -9.384 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.435 3.452 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 36 6.353 6.082 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.376 4.461 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.815 4.625 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.677 6.986 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.330 6.987 -6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.828 6.889 -8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.689 5.368 -8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.719 4.305 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.857 5.831 -7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.206 4.418 -9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.975 5.815 -9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.810 4.337 -9.878 1.00 0.00 H new ATOM 562 N LEU A 37 3.703 5.962 -2.748 1.00 0.00 N ATOM 563 CA LEU A 37 2.972 6.737 -1.734 1.00 0.00 C ATOM 564 C LEU A 37 3.882 7.202 -0.582 1.00 0.00 C ATOM 565 O LEU A 37 3.757 8.343 -0.132 1.00 0.00 O ATOM 566 CB LEU A 37 1.806 5.882 -1.203 1.00 0.00 C ATOM 567 CG LEU A 37 0.443 6.157 -1.865 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.449 6.025 -3.384 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.582 5.186 -1.284 1.00 0.00 C ATOM 0 H LEU A 37 3.461 4.971 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 37 2.588 7.643 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.054 4.830 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.712 6.049 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 37 0.192 7.196 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.548 6.234 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.160 6.735 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.740 5.011 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.555 5.367 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.269 4.162 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.655 5.335 -0.207 1.00 0.00 H new ATOM 581 N LYS A 38 4.788 6.347 -0.098 1.00 0.00 N ATOM 582 CA LYS A 38 5.684 6.630 1.037 1.00 0.00 C ATOM 583 C LYS A 38 6.653 7.780 0.755 1.00 0.00 C ATOM 584 O LYS A 38 6.787 8.679 1.587 1.00 0.00 O ATOM 585 CB LYS A 38 6.414 5.326 1.417 1.00 0.00 C ATOM 586 CG LYS A 38 7.360 5.426 2.629 1.00 0.00 C ATOM 587 CD LYS A 38 6.658 5.878 3.916 1.00 0.00 C ATOM 588 CE LYS A 38 7.454 5.549 5.186 1.00 0.00 C ATOM 589 NZ LYS A 38 8.817 6.137 5.193 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.925 5.416 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 38 5.088 6.972 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.668 4.559 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.990 4.988 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.824 4.454 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.163 6.126 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.487 6.954 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.679 5.402 3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.905 5.912 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.532 4.467 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.290 5.907 6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.368 5.747 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.750 7.170 5.092 1.00 0.00 H new ATOM 603 N GLN A 39 7.284 7.798 -0.424 1.00 0.00 N ATOM 604 CA GLN A 39 8.202 8.882 -0.809 1.00 0.00 C ATOM 605 C GLN A 39 7.495 10.241 -0.939 1.00 0.00 C ATOM 606 O GLN A 39 8.059 11.264 -0.549 1.00 0.00 O ATOM 607 CB GLN A 39 8.988 8.505 -2.085 1.00 0.00 C ATOM 608 CG GLN A 39 8.137 8.381 -3.358 1.00 0.00 C ATOM 609 CD GLN A 39 8.971 8.002 -4.578 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.383 8.841 -5.376 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.266 6.732 -4.778 1.00 0.00 N ATOM 0 H GLN A 39 7.177 7.072 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 39 8.921 9.003 0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.760 9.256 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.498 7.557 -1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.362 7.630 -3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.630 9.327 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.932 6.022 -4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.828 6.460 -5.585 1.00 0.00 H new ATOM 620 N GLN A 40 6.245 10.270 -1.424 1.00 0.00 N ATOM 621 CA GLN A 40 5.478 11.516 -1.597 1.00 0.00 C ATOM 622 C GLN A 40 5.183 12.205 -0.260 1.00 0.00 C ATOM 623 O GLN A 40 5.453 13.400 -0.117 1.00 0.00 O ATOM 624 CB GLN A 40 4.181 11.233 -2.374 1.00 0.00 C ATOM 625 CG GLN A 40 4.452 11.157 -3.881 1.00 0.00 C ATOM 626 CD GLN A 40 3.188 10.809 -4.664 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.414 11.663 -5.084 1.00 0.00 O ATOM 628 NE2 GLN A 40 2.940 9.539 -4.903 1.00 0.00 N ATOM 0 H GLN A 40 5.736 9.433 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 40 6.092 12.207 -2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.744 10.295 -2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.452 12.017 -2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.844 12.112 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.219 10.407 -4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.577 8.821 -4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.110 9.272 -5.433 1.00 0.00 H new ATOM 637 N GLN A 41 4.694 11.471 0.747 1.00 0.00 N ATOM 638 CA GLN A 41 4.439 12.058 2.075 1.00 0.00 C ATOM 639 C GLN A 41 5.727 12.499 2.799 1.00 0.00 C ATOM 640 O GLN A 41 5.695 13.457 3.574 1.00 0.00 O ATOM 641 CB GLN A 41 3.566 11.120 2.931 1.00 0.00 C ATOM 642 CG GLN A 41 4.197 9.774 3.321 1.00 0.00 C ATOM 643 CD GLN A 41 3.464 9.050 4.453 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.047 8.263 5.186 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.184 9.277 4.673 1.00 0.00 N ATOM 0 H GLN A 41 4.468 10.479 0.673 1.00 0.00 H new ATOM 0 HA GLN A 41 3.876 12.978 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.291 11.647 3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.642 10.921 2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.220 9.127 2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.232 9.942 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.672 9.928 4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.706 8.801 5.438 1.00 0.00 H new ATOM 901 N LYS B 115 14.660 2.410 0.984 1.00 0.00 N ATOM 902 CA LYS B 115 13.604 1.757 0.194 1.00 0.00 C ATOM 903 C LYS B 115 13.602 0.237 0.362 1.00 0.00 C ATOM 904 O LYS B 115 12.540 -0.366 0.511 1.00 0.00 O ATOM 905 CB LYS B 115 13.781 2.133 -1.289 1.00 0.00 C ATOM 906 CG LYS B 115 13.690 3.650 -1.520 1.00 0.00 C ATOM 907 CD LYS B 115 13.877 4.019 -2.997 1.00 0.00 C ATOM 908 CE LYS B 115 13.671 5.530 -3.157 1.00 0.00 C ATOM 909 NZ LYS B 115 14.079 5.995 -4.505 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.641 2.112 0.560 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.747 1.771 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.017 1.631 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.721 4.012 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.449 4.154 -0.922 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.874 3.736 -3.334 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.165 3.473 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.622 5.775 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.248 6.059 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.927 7.021 -4.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.086 5.783 -4.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.511 5.508 -5.227 1.00 0.00 H new ATOM 923 N ASP B 116 14.783 -0.384 0.414 1.00 0.00 N ATOM 924 CA ASP B 116 14.930 -1.834 0.601 1.00 0.00 C ATOM 925 C ASP B 116 14.420 -2.289 1.981 1.00 0.00 C ATOM 926 O ASP B 116 13.729 -3.302 2.083 1.00 0.00 O ATOM 927 CB ASP B 116 16.396 -2.255 0.404 1.00 0.00 C ATOM 928 CG ASP B 116 16.970 -2.007 -1.004 1.00 0.00 C ATOM 929 OD1 ASP B 116 16.203 -1.761 -1.965 1.00 0.00 O ATOM 930 OD2 ASP B 116 18.211 -2.086 -1.161 1.00 0.00 O1- ATOM 0 H ASP B 116 15.673 0.107 0.327 1.00 0.00 H new ATOM 0 HA ASP B 116 14.316 -2.326 -0.153 1.00 0.00 H new ATOM 0 HB2 ASP B 116 17.011 -1.720 1.128 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.485 -3.317 0.633 1.00 0.00 H new ATOM 935 N ASP B 117 14.689 -1.502 3.033 1.00 0.00 N ATOM 936 CA ASP B 117 14.184 -1.745 4.395 1.00 0.00 C ATOM 937 C ASP B 117 12.674 -1.467 4.538 1.00 0.00 C ATOM 938 O ASP B 117 12.029 -1.952 5.469 1.00 0.00 O ATOM 939 CB ASP B 117 14.988 -0.909 5.407 1.00 0.00 C ATOM 940 CG ASP B 117 14.807 -1.397 6.855 1.00 0.00 C ATOM 941 OD1 ASP B 117 15.047 -2.598 7.136 1.00 0.00 O ATOM 942 OD2 ASP B 117 14.450 -0.582 7.743 1.00 0.00 O1- ATOM 0 H ASP B 117 15.271 -0.667 2.962 1.00 0.00 H new ATOM 0 HA ASP B 117 14.320 -2.806 4.604 1.00 0.00 H new ATOM 0 HB2 ASP B 117 16.045 -0.946 5.145 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.679 0.134 5.338 1.00 0.00 H new ATOM 947 N TYR B 118 12.084 -0.699 3.617 1.00 0.00 N ATOM 948 CA TYR B 118 10.629 -0.534 3.526 1.00 0.00 C ATOM 949 C TYR B 118 9.976 -1.739 2.830 1.00 0.00 C ATOM 950 O TYR B 118 9.056 -2.349 3.376 1.00 0.00 O ATOM 951 CB TYR B 118 10.285 0.806 2.855 1.00 0.00 C ATOM 952 CG TYR B 118 8.874 1.279 3.155 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.522 1.592 4.484 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.910 1.395 2.135 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.212 2.005 4.794 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.604 1.830 2.436 1.00 0.00 C ATOM 957 CZ TYR B 118 6.249 2.127 3.770 1.00 0.00 C ATOM 958 OH TYR B 118 4.981 2.515 4.071 1.00 0.00 O ATOM 0 H TYR B 118 12.602 -0.173 2.913 1.00 0.00 H new ATOM 0 HA TYR B 118 10.211 -0.504 4.532 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.994 1.564 3.187 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.407 0.707 1.776 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.261 1.515 5.268 1.00 0.00 H new ATOM 0 HD2 TYR B 118 8.173 1.149 1.117 1.00 0.00 H new ATOM 0 HE1 TYR B 118 6.944 2.229 5.816 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.875 1.936 1.647 1.00 0.00 H new ATOM 0 HH TYR B 118 4.446 2.549 3.251 1.00 0.00 H new ATOM 968 N LEU B 119 10.492 -2.162 1.671 1.00 0.00 N ATOM 969 CA LEU B 119 9.975 -3.311 0.917 1.00 0.00 C ATOM 970 C LEU B 119 10.045 -4.636 1.699 1.00 0.00 C ATOM 971 O LEU B 119 9.105 -5.435 1.643 1.00 0.00 O ATOM 972 CB LEU B 119 10.729 -3.412 -0.423 1.00 0.00 C ATOM 973 CG LEU B 119 9.983 -2.712 -1.572 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.853 -1.197 -1.425 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.672 -2.998 -2.904 1.00 0.00 C ATOM 0 H LEU B 119 11.290 -1.711 1.224 1.00 0.00 H new ATOM 0 HA LEU B 119 8.914 -3.140 0.736 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.719 -2.969 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.876 -4.462 -0.676 1.00 0.00 H new ATOM 0 HG LEU B 119 8.975 -3.126 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.313 -0.793 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.307 -0.966 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.846 -0.750 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.133 -2.496 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.697 -2.630 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.678 -4.073 -3.087 1.00 0.00 H new ATOM 987 N SER B 120 11.109 -4.859 2.478 1.00 0.00 N ATOM 988 CA SER B 120 11.267 -6.063 3.313 1.00 0.00 C ATOM 989 C SER B 120 10.210 -6.176 4.421 1.00 0.00 C ATOM 990 O SER B 120 9.803 -7.290 4.769 1.00 0.00 O ATOM 991 CB SER B 120 12.665 -6.097 3.946 1.00 0.00 C ATOM 992 OG SER B 120 12.855 -5.029 4.857 1.00 0.00 O ATOM 0 H SER B 120 11.891 -4.208 2.550 1.00 0.00 H new ATOM 0 HA SER B 120 11.131 -6.913 2.644 1.00 0.00 H new ATOM 0 HB2 SER B 120 12.807 -7.046 4.463 1.00 0.00 H new ATOM 0 HB3 SER B 120 13.421 -6.045 3.162 1.00 0.00 H new ATOM 0 HG SER B 120 13.755 -5.083 5.241 1.00 0.00 H new ATOM 998 N ARG B 121 9.753 -5.040 4.969 1.00 0.00 N ATOM 999 CA ARG B 121 8.724 -4.965 6.024 1.00 0.00 C ATOM 1000 C ARG B 121 7.295 -4.961 5.467 1.00 0.00 C ATOM 1001 O ARG B 121 6.382 -5.473 6.113 1.00 0.00 O ATOM 1002 CB ARG B 121 9.069 -3.780 6.955 1.00 0.00 C ATOM 1003 CG ARG B 121 8.258 -2.488 6.740 1.00 0.00 C ATOM 1004 CD ARG B 121 8.964 -1.223 7.243 1.00 0.00 C ATOM 1005 NE ARG B 121 9.456 -1.322 8.637 1.00 0.00 N ATOM 1006 CZ ARG B 121 10.717 -1.259 9.034 1.00 0.00 C ATOM 1007 NH1 ARG B 121 11.718 -1.282 8.203 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 11.008 -1.160 10.299 1.00 0.00 N ATOM 0 H ARG B 121 10.096 -4.122 4.685 1.00 0.00 H new ATOM 0 HA ARG B 121 8.738 -5.874 6.626 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.931 -4.103 7.987 1.00 0.00 H new ATOM 0 HB3 ARG B 121 10.126 -3.545 6.833 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.046 -2.376 5.677 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.298 -2.584 7.248 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.806 -1.003 6.586 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.275 -0.381 7.171 1.00 0.00 H new ATOM 0 HE ARG B 121 8.752 -1.452 9.364 1.00 0.00 H new ATOM 0 HH11 ARG B 121 11.547 -1.351 7.200 1.00 0.00 H new ATOM 0 HH12 ARG B 121 12.674 -1.231 8.555 1.00 0.00 H new ATOM 0 HH21 ARG B 121 10.261 -1.130 10.993 1.00 0.00 H new ATOM 0 HH22 ARG B 121 11.983 -1.112 10.596 1.00 0.00 H new ATOM 1022 N LEU B 122 7.099 -4.457 4.244 1.00 0.00 N ATOM 1023 CA LEU B 122 5.813 -4.462 3.529 1.00 0.00 C ATOM 1024 C LEU B 122 5.335 -5.875 3.154 1.00 0.00 C ATOM 1025 O LEU B 122 4.132 -6.141 3.164 1.00 0.00 O ATOM 1026 CB LEU B 122 5.939 -3.568 2.277 1.00 0.00 C ATOM 1027 CG LEU B 122 5.325 -2.166 2.423 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.764 -1.386 3.664 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.694 -1.348 1.191 1.00 0.00 C ATOM 0 H LEU B 122 7.849 -4.022 3.707 1.00 0.00 H new ATOM 0 HA LEU B 122 5.052 -4.065 4.201 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.995 -3.463 2.027 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.462 -4.073 1.437 1.00 0.00 H new ATOM 0 HG LEU B 122 4.251 -2.322 2.530 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.275 -0.412 3.673 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.485 -1.941 4.560 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.845 -1.249 3.644 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.267 -0.349 1.276 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.779 -1.274 1.115 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.301 -1.836 0.299 1.00 0.00 H new ATOM 1041 N SER B 123 6.263 -6.798 2.879 1.00 0.00 N ATOM 1042 CA SER B 123 5.947 -8.203 2.574 1.00 0.00 C ATOM 1043 C SER B 123 5.289 -8.967 3.740 1.00 0.00 C ATOM 1044 O SER B 123 4.652 -10.001 3.525 1.00 0.00 O ATOM 1045 CB SER B 123 7.232 -8.918 2.132 1.00 0.00 C ATOM 1046 OG SER B 123 6.928 -10.151 1.495 1.00 0.00 O ATOM 0 H SER B 123 7.262 -6.593 2.861 1.00 0.00 H new ATOM 0 HA SER B 123 5.207 -8.195 1.774 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.793 -8.279 1.450 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.870 -9.098 2.997 1.00 0.00 H new ATOM 0 HG SER B 123 7.759 -10.591 1.219 1.00 0.00 H new ATOM 1052 N ARG B 124 5.425 -8.472 4.981 1.00 0.00 N ATOM 1053 CA ARG B 124 4.978 -9.155 6.214 1.00 0.00 C ATOM 1054 C ARG B 124 3.478 -9.023 6.490 1.00 0.00 C ATOM 1055 O ARG B 124 2.909 -9.854 7.206 1.00 0.00 O ATOM 1056 CB ARG B 124 5.781 -8.621 7.416 1.00 0.00 C ATOM 1057 CG ARG B 124 7.307 -8.536 7.205 1.00 0.00 C ATOM 1058 CD ARG B 124 7.927 -9.826 6.669 1.00 0.00 C ATOM 1059 NE ARG B 124 9.376 -9.656 6.455 1.00 0.00 N ATOM 1060 CZ ARG B 124 10.359 -10.400 6.923 1.00 0.00 C ATOM 1061 NH1 ARG B 124 10.160 -11.450 7.670 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 11.590 -10.095 6.630 1.00 0.00 N ATOM 0 H ARG B 124 5.858 -7.566 5.163 1.00 0.00 H new ATOM 0 HA ARG B 124 5.164 -10.218 6.064 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.410 -7.627 7.667 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.585 -9.261 8.276 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.524 -7.724 6.511 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.782 -8.282 8.152 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.751 -10.640 7.372 1.00 0.00 H new ATOM 0 HD3 ARG B 124 7.446 -10.105 5.732 1.00 0.00 H new ATOM 0 HE ARG B 124 9.652 -8.865 5.873 1.00 0.00 H new ATOM 0 HH11 ARG B 124 9.210 -11.728 7.917 1.00 0.00 H new ATOM 0 HH12 ARG B 124 10.954 -11.994 8.008 1.00 0.00 H new ATOM 0 HH21 ARG B 124 11.789 -9.285 6.042 1.00 0.00 H new ATOM 0 HH22 ARG B 124 12.356 -10.666 6.988 1.00 0.00 H new ATOM 1076 N LEU B 125 2.844 -7.994 5.928 1.00 0.00 N ATOM 1077 CA LEU B 125 1.416 -7.696 6.109 1.00 0.00 C ATOM 1078 C LEU B 125 0.494 -8.674 5.357 1.00 0.00 C ATOM 1079 O LEU B 125 0.794 -9.101 4.236 1.00 0.00 O ATOM 1080 CB LEU B 125 1.099 -6.250 5.665 1.00 0.00 C ATOM 1081 CG LEU B 125 1.612 -5.081 6.528 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.521 -5.328 8.036 1.00 0.00 C ATOM 1083 CD2 LEU B 125 3.041 -4.675 6.182 1.00 0.00 C ATOM 0 H LEU B 125 3.317 -7.326 5.319 1.00 0.00 H new ATOM 0 HA LEU B 125 1.217 -7.812 7.174 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.498 -6.118 4.659 1.00 0.00 H new ATOM 0 HB3 LEU B 125 0.015 -6.157 5.593 1.00 0.00 H new ATOM 0 HG LEU B 125 0.933 -4.265 6.281 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.902 -4.458 8.571 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.481 -5.499 8.315 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.115 -6.203 8.298 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.349 -3.848 6.821 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.708 -5.523 6.339 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.088 -4.364 5.138 1.00 0.00 H new ATOM 1095 N SER B 126 -0.672 -8.962 5.950 1.00 0.00 N ATOM 1096 CA SER B 126 -1.845 -9.527 5.262 1.00 0.00 C ATOM 1097 C SER B 126 -2.474 -8.498 4.300 1.00 0.00 C ATOM 1098 O SER B 126 -2.246 -7.292 4.437 1.00 0.00 O ATOM 1099 CB SER B 126 -2.862 -10.013 6.308 1.00 0.00 C ATOM 1100 OG SER B 126 -3.992 -10.604 5.683 1.00 0.00 O ATOM 0 H SER B 126 -0.832 -8.806 6.945 1.00 0.00 H new ATOM 0 HA SER B 126 -1.530 -10.377 4.656 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.389 -10.737 6.971 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.181 -9.175 6.927 1.00 0.00 H new ATOM 0 HG SER B 126 -4.624 -10.907 6.368 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.277 -8.947 3.326 1.00 0.00 N ATOM 1107 CA LYS B 127 -3.851 -8.078 2.280 1.00 0.00 C ATOM 1108 C LYS B 127 -4.752 -6.972 2.836 1.00 0.00 C ATOM 1109 O LYS B 127 -4.707 -5.843 2.366 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.555 -8.922 1.202 1.00 0.00 C ATOM 1111 CG LYS B 127 -4.027 -8.521 -0.188 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.639 -9.385 -1.297 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.234 -8.913 -2.701 1.00 0.00 C ATOM 1114 NZ LYS B 127 -2.795 -9.126 -2.999 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.550 -9.926 3.238 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.019 -7.553 1.810 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.375 -9.982 1.380 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.633 -8.769 1.252 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -4.256 -7.472 -0.376 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -2.942 -8.619 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -4.326 -10.420 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -5.725 -9.366 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.834 -9.442 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -4.466 -7.853 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -2.556 -8.667 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -2.218 -8.715 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -2.602 -10.146 -3.067 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.520 -7.271 3.884 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.324 -6.287 4.614 1.00 0.00 C ATOM 1130 C ASN B 128 -5.459 -5.224 5.329 1.00 0.00 C ATOM 1131 O ASN B 128 -5.811 -4.042 5.349 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.212 -7.060 5.601 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.244 -7.929 4.900 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -7.985 -9.064 4.520 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -9.441 -7.427 4.687 1.00 0.00 N ATOM 0 H ASN B 128 -5.603 -8.217 4.256 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.938 -5.723 3.911 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -6.585 -7.687 6.235 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.722 -6.353 6.256 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -10.149 -7.983 4.207 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -9.661 -6.482 5.002 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.302 -5.624 5.865 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.380 -4.745 6.593 1.00 0.00 C ATOM 1144 C GLN B 129 -2.596 -3.816 5.651 1.00 0.00 C ATOM 1145 O GLN B 129 -2.504 -2.617 5.920 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.423 -5.594 7.444 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.119 -6.412 8.545 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.182 -7.413 9.225 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.206 -7.900 8.661 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.453 -7.783 10.460 1.00 0.00 N ATOM 0 H GLN B 129 -3.973 -6.588 5.804 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.972 -4.102 7.244 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.879 -6.275 6.789 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.685 -4.938 7.905 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.523 -5.732 9.295 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.964 -6.948 8.113 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.259 -7.389 10.945 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.856 -8.463 10.931 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.065 -4.325 4.529 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.404 -3.488 3.512 1.00 0.00 C ATOM 1161 C LEU B 130 -2.393 -2.531 2.825 1.00 0.00 C ATOM 1162 O LEU B 130 -2.016 -1.405 2.506 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.604 -4.344 2.508 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.422 -5.300 1.614 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -1.904 -4.680 0.294 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.593 -6.545 1.289 1.00 0.00 C ATOM 0 H LEU B 130 -2.080 -5.319 4.301 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.680 -2.856 4.026 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.038 -3.673 1.862 1.00 0.00 H new ATOM 0 HB3 LEU B 130 0.122 -4.936 3.066 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.312 -5.546 2.193 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.470 -5.421 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.541 -3.822 0.507 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.043 -4.357 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.176 -7.216 0.658 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.315 -6.250 0.764 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.327 -7.057 2.214 1.00 0.00 H new ATOM 1178 N MET B 131 -3.663 -2.927 2.655 1.00 0.00 N ATOM 1179 CA MET B 131 -4.714 -2.032 2.155 1.00 0.00 C ATOM 1180 C MET B 131 -5.000 -0.884 3.129 1.00 0.00 C ATOM 1181 O MET B 131 -5.049 0.273 2.710 1.00 0.00 O ATOM 1182 CB MET B 131 -5.999 -2.818 1.856 1.00 0.00 C ATOM 1183 CG MET B 131 -5.960 -3.396 0.437 1.00 0.00 C ATOM 1184 SD MET B 131 -7.493 -4.204 -0.095 1.00 0.00 S ATOM 1185 CE MET B 131 -7.245 -5.886 0.530 1.00 0.00 C ATOM 0 H MET B 131 -3.988 -3.872 2.859 1.00 0.00 H new ATOM 0 HA MET B 131 -4.349 -1.590 1.228 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.115 -3.625 2.580 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.865 -2.165 1.965 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.728 -2.592 -0.262 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.145 -4.117 0.375 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.008 -6.545 0.114 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.258 -6.242 0.235 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.320 -5.885 1.617 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.129 -1.171 4.430 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.307 -0.148 5.462 1.00 0.00 C ATOM 1197 C ALA B 132 -4.098 0.810 5.538 1.00 0.00 C ATOM 1198 O ALA B 132 -4.282 2.028 5.625 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.570 -0.850 6.798 1.00 0.00 C ATOM 0 H ALA B 132 -5.113 -2.123 4.796 1.00 0.00 H new ATOM 0 HA ALA B 132 -6.162 0.479 5.209 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.705 -0.104 7.581 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.470 -1.459 6.718 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.722 -1.487 7.047 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.870 0.285 5.452 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.637 1.079 5.422 1.00 0.00 C ATOM 1207 C LEU B 133 -1.568 1.999 4.193 1.00 0.00 C ATOM 1208 O LEU B 133 -1.337 3.198 4.333 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.433 0.118 5.494 1.00 0.00 C ATOM 1210 CG LEU B 133 0.949 0.796 5.420 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.208 1.709 6.621 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.039 -0.271 5.370 1.00 0.00 C ATOM 0 H LEU B 133 -2.703 -0.720 5.400 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.619 1.745 6.285 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.494 -0.447 6.424 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.512 -0.601 4.678 1.00 0.00 H new ATOM 0 HG LEU B 133 0.964 1.408 4.518 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.193 2.165 6.526 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.449 2.490 6.655 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.167 1.123 7.539 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.016 0.209 5.318 1.00 0.00 H new ATOM 0 HD22 LEU B 133 1.986 -0.888 6.267 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.895 -0.897 4.490 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.812 1.472 2.990 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.783 2.253 1.756 1.00 0.00 C ATOM 1226 C ALA B 134 -2.896 3.322 1.719 1.00 0.00 C ATOM 1227 O ALA B 134 -2.641 4.454 1.309 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.857 1.285 0.575 1.00 0.00 C ATOM 0 H ALA B 134 -2.036 0.487 2.847 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.851 2.815 1.699 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.837 1.848 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -1.005 0.605 0.608 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.782 0.711 0.633 1.00 0.00 H new ATOM 1234 N LEU B 135 -4.101 3.018 2.220 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.186 3.997 2.376 1.00 0.00 C ATOM 1236 C LEU B 135 -4.781 5.114 3.356 1.00 0.00 C ATOM 1237 O LEU B 135 -4.943 6.293 3.047 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.458 3.241 2.806 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.814 3.973 2.732 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.957 5.164 3.676 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -8.143 4.432 1.314 1.00 0.00 C ATOM 0 H LEU B 135 -4.352 2.079 2.531 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.391 4.501 1.431 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.533 2.343 2.192 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.315 2.912 3.835 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.526 3.215 3.060 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.943 5.612 3.550 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.840 4.828 4.706 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.190 5.904 3.447 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -9.106 4.942 1.311 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.369 5.116 0.964 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.189 3.567 0.653 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.182 4.762 4.505 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.690 5.718 5.508 1.00 0.00 C ATOM 1255 C LYS B 136 -2.593 6.635 4.954 1.00 0.00 C ATOM 1256 O LYS B 136 -2.592 7.832 5.239 1.00 0.00 O ATOM 1257 CB LYS B 136 -3.230 4.938 6.752 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.856 5.843 7.933 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.502 5.005 9.168 1.00 0.00 C ATOM 1260 CE LYS B 136 -2.058 5.868 10.356 1.00 0.00 C ATOM 1261 NZ LYS B 136 -3.177 6.661 10.931 1.00 0.00 N1+ ATOM 0 H LYS B 136 -4.024 3.789 4.767 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.503 6.387 5.789 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -4.025 4.259 7.061 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.370 4.322 6.489 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -2.010 6.474 7.661 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.688 6.508 8.165 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -3.367 4.409 9.459 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -1.705 4.306 8.913 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.636 5.227 11.130 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -1.265 6.544 10.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -2.827 7.227 11.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -3.565 7.294 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -3.923 6.018 11.263 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.684 6.115 4.126 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.691 6.910 3.385 1.00 0.00 C ATOM 1277 C LEU B 137 -1.356 7.827 2.337 1.00 0.00 C ATOM 1278 O LEU B 137 -0.969 8.992 2.221 1.00 0.00 O ATOM 1279 CB LEU B 137 0.329 5.968 2.715 1.00 0.00 C ATOM 1280 CG LEU B 137 1.628 5.746 3.508 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.417 5.253 4.941 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.505 4.728 2.777 1.00 0.00 C ATOM 0 H LEU B 137 -1.613 5.114 3.946 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.175 7.557 4.094 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.147 5.002 2.548 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.584 6.371 1.735 1.00 0.00 H new ATOM 0 HG LEU B 137 2.103 6.725 3.574 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.384 5.123 5.427 1.00 0.00 H new ATOM 0 HD12 LEU B 137 0.828 5.984 5.494 1.00 0.00 H new ATOM 0 HD13 LEU B 137 0.889 4.300 4.924 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.426 4.571 3.339 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.969 3.783 2.688 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.747 5.103 1.783 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.360 7.326 1.611 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.072 8.065 0.557 1.00 0.00 C ATOM 1296 C LYS B 138 -3.860 9.257 1.105 1.00 0.00 C ATOM 1297 O LYS B 138 -3.681 10.369 0.617 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.981 7.095 -0.222 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.581 7.687 -1.505 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.524 7.997 -2.574 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.215 8.296 -3.910 1.00 0.00 C ATOM 1302 NZ LYS B 138 -3.231 8.421 -5.012 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.710 6.377 1.740 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.331 8.486 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.407 6.205 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.793 6.773 0.430 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.310 6.988 -1.915 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.120 8.602 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.921 8.851 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.846 7.151 -2.685 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.923 7.500 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.789 9.219 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.730 8.623 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.571 9.196 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.701 7.531 -5.107 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.671 9.063 2.150 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.457 10.154 2.741 1.00 0.00 C ATOM 1318 C GLN B 139 -4.560 11.257 3.325 1.00 0.00 C ATOM 1319 O GLN B 139 -4.884 12.437 3.186 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.486 9.618 3.753 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.881 9.043 5.045 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.926 8.636 6.084 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -6.907 9.072 7.228 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.888 7.808 5.741 1.00 0.00 N ATOM 0 H GLN B 139 -4.801 8.160 2.605 1.00 0.00 H new ATOM 0 HA GLN B 139 -6.026 10.625 1.939 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.170 10.425 4.016 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.080 8.842 3.270 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.272 8.174 4.795 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.214 9.784 5.485 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.924 7.432 4.793 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.599 7.541 6.422 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.402 10.903 3.901 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.440 11.881 4.425 1.00 0.00 C ATOM 1335 C GLN B 140 -1.866 12.778 3.320 1.00 0.00 C ATOM 1336 O GLN B 140 -1.906 14.001 3.452 1.00 0.00 O ATOM 1337 CB GLN B 140 -1.315 11.162 5.191 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.760 10.782 6.615 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.671 9.995 7.347 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.018 10.498 8.228 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.474 8.739 7.008 1.00 0.00 N ATOM 0 H GLN B 140 -3.107 9.933 4.016 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.975 12.534 5.114 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -1.020 10.264 4.649 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.438 11.807 5.242 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.999 11.685 7.177 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.672 10.186 6.567 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.043 8.313 6.276 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.247 8.191 7.477 1.00 0.00 H new