USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 LYS NZ :NH3+ -160:sc= 1.06 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.99 K(o=4,f=-2.2) USER MOD Set 1.3: B 140 GLN : amide:sc= 0.917 K(o=4,f=-2.2) USER MOD Set 2.1: A 31 MET CE :methyl -168:sc= 0 (180deg=-0.308) USER MOD Set 2.2: B 123 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0.518 USER MOD Set 3.2: B 127 LYS NZ :NH3+ -123:sc= 0.507 (180deg=0.929) USER MOD Set 4.1: A 15 LYS NZ :NH3+ -107:sc= 0.595 (180deg=0) USER MOD Set 4.2: B 139 GLN : amide:sc= 0.291 K(o=0.89,f=-0.68) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 94:sc= 0.524 USER MOD Single : A 26 SER OG : rot 180:sc=-0.000573 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0.699 (180deg=0.583) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.029) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 30:sc= 0.0864 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc=-0.00896 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.591 K(o=0.59,f=-4!) USER MOD Single : B 131 MET CE :methyl -174:sc= -0.212 (180deg=-0.261) 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 ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.485 7.619 -1.779 1.00 0.00 N ATOM 165 CA TRP A 14 -13.372 7.147 -2.621 1.00 0.00 C ATOM 166 C TRP A 14 -12.540 6.037 -1.959 1.00 0.00 C ATOM 167 O TRP A 14 -11.949 5.208 -2.648 1.00 0.00 O ATOM 168 CB TRP A 14 -12.469 8.337 -2.992 1.00 0.00 C ATOM 169 CG TRP A 14 -11.685 8.966 -1.876 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.040 10.073 -1.183 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.403 8.542 -1.308 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.091 10.345 -0.218 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.058 9.434 -0.244 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.489 7.500 -1.585 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.884 9.290 0.518 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.314 7.334 -0.821 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.009 8.228 0.224 1.00 0.00 C ATOM 0 HA TRP A 14 -13.811 6.710 -3.518 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.766 8.005 -3.756 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.092 9.108 -3.446 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.932 10.656 -1.359 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.148 11.126 0.435 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.694 6.818 -2.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.658 9.983 1.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.644 6.516 -1.039 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.104 8.098 0.799 1.00 0.00 H new ATOM 188 N LYS A 15 -12.521 5.987 -0.618 1.00 0.00 N ATOM 189 CA LYS A 15 -11.738 5.033 0.185 1.00 0.00 C ATOM 190 C LYS A 15 -12.146 3.569 -0.046 1.00 0.00 C ATOM 191 O LYS A 15 -11.283 2.696 -0.076 1.00 0.00 O ATOM 192 CB LYS A 15 -11.862 5.417 1.670 1.00 0.00 C ATOM 193 CG LYS A 15 -11.198 6.775 1.963 1.00 0.00 C ATOM 194 CD LYS A 15 -11.305 7.150 3.442 1.00 0.00 C ATOM 195 CE LYS A 15 -10.466 8.401 3.717 1.00 0.00 C ATOM 196 NZ LYS A 15 -10.553 8.809 5.141 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.067 6.629 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.698 5.098 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.915 5.459 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.400 4.645 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.148 6.737 1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.669 7.549 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.346 7.333 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.959 6.324 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.426 8.208 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.808 9.218 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.138 9.665 5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.983 8.042 5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.599 9.006 5.505 1.00 0.00 H new ATOM 210 N ASP A 16 -13.437 3.302 -0.269 1.00 0.00 N ATOM 211 CA ASP A 16 -13.945 1.956 -0.583 1.00 0.00 C ATOM 212 C ASP A 16 -13.487 1.465 -1.971 1.00 0.00 C ATOM 213 O ASP A 16 -13.080 0.311 -2.132 1.00 0.00 O ATOM 214 CB ASP A 16 -15.482 1.930 -0.508 1.00 0.00 C ATOM 215 CG ASP A 16 -16.076 2.244 0.882 1.00 0.00 C ATOM 216 OD1 ASP A 16 -17.296 2.535 0.947 1.00 0.00 O ATOM 217 OD2 ASP A 16 -15.362 2.159 1.912 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.165 4.015 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.528 1.279 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.877 2.649 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.829 0.945 -0.820 1.00 0.00 H new ATOM 222 N ASP A 17 -13.480 2.359 -2.964 1.00 0.00 N ATOM 223 CA ASP A 17 -12.938 2.074 -4.299 1.00 0.00 C ATOM 224 C ASP A 17 -11.409 1.921 -4.277 1.00 0.00 C ATOM 225 O ASP A 17 -10.860 1.108 -5.027 1.00 0.00 O ATOM 226 CB ASP A 17 -13.352 3.174 -5.296 1.00 0.00 C ATOM 227 CG ASP A 17 -14.872 3.289 -5.542 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.314 4.357 -6.030 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.629 2.315 -5.302 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.851 3.304 -2.866 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.359 1.123 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.984 4.133 -4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.858 2.985 -6.249 1.00 0.00 H new ATOM 234 N TYR A 18 -10.713 2.643 -3.388 1.00 0.00 N ATOM 235 CA TYR A 18 -9.266 2.519 -3.234 1.00 0.00 C ATOM 236 C TYR A 18 -8.876 1.160 -2.627 1.00 0.00 C ATOM 237 O TYR A 18 -8.011 0.471 -3.161 1.00 0.00 O ATOM 238 CB TYR A 18 -8.700 3.708 -2.447 1.00 0.00 C ATOM 239 CG TYR A 18 -7.269 4.036 -2.832 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.197 3.796 -1.948 1.00 0.00 C ATOM 241 CD2 TYR A 18 -7.016 4.570 -4.114 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.874 4.059 -2.356 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.692 4.826 -4.529 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.618 4.555 -3.653 1.00 0.00 C ATOM 245 OH TYR A 18 -3.340 4.779 -4.058 1.00 0.00 O ATOM 0 H TYR A 18 -11.139 3.325 -2.761 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.811 2.548 -4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.327 4.583 -2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.744 3.487 -1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.390 3.410 -0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.839 4.783 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.055 3.881 -1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.501 5.228 -5.513 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.343 5.119 -4.977 1.00 0.00 H new ATOM 255 N LEU A 19 -9.579 0.696 -1.583 1.00 0.00 N ATOM 256 CA LEU A 19 -9.432 -0.670 -1.049 1.00 0.00 C ATOM 257 C LEU A 19 -9.744 -1.741 -2.113 1.00 0.00 C ATOM 258 O LEU A 19 -9.030 -2.743 -2.198 1.00 0.00 O ATOM 259 CB LEU A 19 -10.329 -0.840 0.197 1.00 0.00 C ATOM 260 CG LEU A 19 -9.570 -0.656 1.522 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.864 0.695 1.650 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.511 -0.796 2.723 1.00 0.00 C ATOM 0 H LEU A 19 -10.268 1.258 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.391 -0.814 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.145 -0.118 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.780 -1.832 0.179 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.815 -1.442 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.352 0.748 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.137 0.804 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.599 1.497 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.946 -0.661 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.293 -0.039 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.964 -1.787 2.717 1.00 0.00 H new ATOM 274 N SER A 20 -10.746 -1.525 -2.970 1.00 0.00 N ATOM 275 CA SER A 20 -11.068 -2.438 -4.079 1.00 0.00 C ATOM 276 C SER A 20 -9.943 -2.544 -5.121 1.00 0.00 C ATOM 277 O SER A 20 -9.575 -3.657 -5.503 1.00 0.00 O ATOM 278 CB SER A 20 -12.387 -2.027 -4.738 1.00 0.00 C ATOM 279 OG SER A 20 -12.733 -2.949 -5.760 1.00 0.00 O ATOM 0 H SER A 20 -11.360 -0.712 -2.917 1.00 0.00 H new ATOM 0 HA SER A 20 -11.176 -3.433 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.179 -1.988 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.295 -1.025 -5.158 1.00 0.00 H new ATOM 0 HG SER A 20 -13.329 -3.635 -5.394 1.00 0.00 H new ATOM 285 N ARG A 21 -9.351 -1.423 -5.565 1.00 0.00 N ATOM 286 CA ARG A 21 -8.275 -1.425 -6.583 1.00 0.00 C ATOM 287 C ARG A 21 -6.919 -1.897 -6.048 1.00 0.00 C ATOM 288 O ARG A 21 -6.197 -2.595 -6.760 1.00 0.00 O ATOM 289 CB ARG A 21 -8.207 -0.068 -7.310 1.00 0.00 C ATOM 290 CG ARG A 21 -7.461 1.057 -6.570 1.00 0.00 C ATOM 291 CD ARG A 21 -7.606 2.414 -7.277 1.00 0.00 C ATOM 292 NE ARG A 21 -6.945 2.438 -8.597 1.00 0.00 N ATOM 293 CZ ARG A 21 -7.121 3.335 -9.552 1.00 0.00 C ATOM 294 NH1 ARG A 21 -7.911 4.361 -9.410 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -6.494 3.209 -10.686 1.00 0.00 N ATOM 0 H ARG A 21 -9.600 -0.491 -5.233 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.541 -2.178 -7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.728 -0.220 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.225 0.267 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.844 1.137 -5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.404 0.800 -6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.664 2.645 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.181 3.195 -6.647 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.285 1.685 -8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.421 4.495 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.019 5.031 -10.172 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.867 2.418 -10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.629 3.901 -11.423 1.00 0.00 H new ATOM 309 N LEU A 22 -6.608 -1.614 -4.782 1.00 0.00 N ATOM 310 CA LEU A 22 -5.400 -2.097 -4.087 1.00 0.00 C ATOM 311 C LEU A 22 -5.339 -3.638 -4.005 1.00 0.00 C ATOM 312 O LEU A 22 -4.245 -4.211 -4.021 1.00 0.00 O ATOM 313 CB LEU A 22 -5.334 -1.458 -2.686 1.00 0.00 C ATOM 314 CG LEU A 22 -4.518 -0.151 -2.587 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.703 0.857 -3.725 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.880 0.548 -1.280 1.00 0.00 C ATOM 0 H LEU A 22 -7.199 -1.029 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.529 -1.794 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.351 -1.257 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.908 -2.185 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.477 -0.468 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.079 1.731 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.414 0.396 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.748 1.162 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.312 1.474 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.946 0.774 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.641 -0.104 -0.440 1.00 0.00 H new ATOM 328 N SER A 23 -6.488 -4.327 -3.983 1.00 0.00 N ATOM 329 CA SER A 23 -6.573 -5.796 -3.984 1.00 0.00 C ATOM 330 C SER A 23 -6.054 -6.456 -5.277 1.00 0.00 C ATOM 331 O SER A 23 -5.671 -7.630 -5.257 1.00 0.00 O ATOM 332 CB SER A 23 -8.034 -6.214 -3.767 1.00 0.00 C ATOM 333 OG SER A 23 -8.106 -7.583 -3.412 1.00 0.00 O ATOM 0 H SER A 23 -7.401 -3.872 -3.964 1.00 0.00 H new ATOM 0 HA SER A 23 -5.927 -6.141 -3.177 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.481 -5.604 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.609 -6.036 -4.676 1.00 0.00 H new ATOM 0 HG SER A 23 -9.043 -7.837 -3.275 1.00 0.00 H new ATOM 339 N ARG A 24 -6.063 -5.732 -6.405 1.00 0.00 N ATOM 340 CA ARG A 24 -5.844 -6.295 -7.759 1.00 0.00 C ATOM 341 C ARG A 24 -4.366 -6.458 -8.133 1.00 0.00 C ATOM 342 O ARG A 24 -4.024 -7.253 -9.012 1.00 0.00 O ATOM 343 CB ARG A 24 -6.568 -5.430 -8.806 1.00 0.00 C ATOM 344 CG ARG A 24 -7.996 -4.997 -8.428 1.00 0.00 C ATOM 345 CD ARG A 24 -8.895 -6.146 -7.961 1.00 0.00 C ATOM 346 NE ARG A 24 -10.196 -5.627 -7.499 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.408 -6.068 -7.780 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.623 -7.089 -8.564 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.445 -5.475 -7.275 1.00 0.00 N ATOM 0 H ARG A 24 -6.224 -4.725 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.261 -7.302 -7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.972 -4.536 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.610 -5.984 -9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.940 -4.249 -7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.458 -4.515 -9.290 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.047 -6.852 -8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.407 -6.693 -7.154 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.153 -4.818 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.836 -7.581 -8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.578 -7.395 -8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.323 -4.669 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.382 -5.815 -7.491 1.00 0.00 H new ATOM 363 N LEU A 25 -3.495 -5.698 -7.472 1.00 0.00 N ATOM 364 CA LEU A 25 -2.037 -5.723 -7.649 1.00 0.00 C ATOM 365 C LEU A 25 -1.420 -7.058 -7.194 1.00 0.00 C ATOM 366 O LEU A 25 -1.849 -7.658 -6.206 1.00 0.00 O ATOM 367 CB LEU A 25 -1.395 -4.544 -6.887 1.00 0.00 C ATOM 368 CG LEU A 25 -1.584 -3.117 -7.446 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.245 -3.003 -8.930 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.991 -2.566 -7.236 1.00 0.00 C ATOM 0 H LEU A 25 -3.793 -5.020 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.831 -5.622 -8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.784 -4.556 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.324 -4.735 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.878 -2.520 -6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.399 -1.976 -9.260 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.203 -3.283 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.890 -3.669 -9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.054 -1.561 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.713 -3.212 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.213 -2.532 -6.169 1.00 0.00 H new ATOM 382 N SER A 26 -0.360 -7.485 -7.890 1.00 0.00 N ATOM 383 CA SER A 26 0.514 -8.593 -7.475 1.00 0.00 C ATOM 384 C SER A 26 1.341 -8.218 -6.232 1.00 0.00 C ATOM 385 O SER A 26 1.487 -7.035 -5.902 1.00 0.00 O ATOM 386 CB SER A 26 1.403 -9.008 -8.652 1.00 0.00 C ATOM 387 OG SER A 26 2.212 -10.120 -8.306 1.00 0.00 O ATOM 0 H SER A 26 -0.079 -7.063 -8.775 1.00 0.00 H new ATOM 0 HA SER A 26 -0.101 -9.446 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.782 -9.258 -9.512 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.035 -8.171 -8.948 1.00 0.00 H new ATOM 0 HG SER A 26 2.770 -10.369 -9.072 1.00 0.00 H new ATOM 393 N LYS A 27 1.904 -9.211 -5.530 1.00 0.00 N ATOM 394 CA LYS A 27 2.606 -9.027 -4.242 1.00 0.00 C ATOM 395 C LYS A 27 3.796 -8.057 -4.330 1.00 0.00 C ATOM 396 O LYS A 27 4.014 -7.281 -3.404 1.00 0.00 O ATOM 397 CB LYS A 27 3.022 -10.406 -3.697 1.00 0.00 C ATOM 398 CG LYS A 27 3.594 -10.397 -2.264 1.00 0.00 C ATOM 399 CD LYS A 27 2.592 -9.915 -1.198 1.00 0.00 C ATOM 400 CE LYS A 27 3.195 -10.093 0.200 1.00 0.00 C ATOM 401 NZ LYS A 27 2.262 -9.664 1.272 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.887 -10.182 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 27 1.915 -8.554 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.155 -11.066 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.768 -10.834 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.926 -11.403 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.475 -9.755 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.344 -8.867 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.663 -10.479 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.460 -11.140 0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.118 -9.517 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.784 -9.559 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.832 -8.753 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.516 -10.379 1.389 1.00 0.00 H new ATOM 415 N ASN A 28 4.535 -8.047 -5.439 1.00 0.00 N ATOM 416 CA ASN A 28 5.606 -7.074 -5.684 1.00 0.00 C ATOM 417 C ASN A 28 5.059 -5.685 -6.088 1.00 0.00 C ATOM 418 O ASN A 28 5.589 -4.656 -5.660 1.00 0.00 O ATOM 419 CB ASN A 28 6.543 -7.659 -6.748 1.00 0.00 C ATOM 420 CG ASN A 28 7.748 -6.770 -7.017 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.751 -5.945 -7.920 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.798 -6.897 -6.238 1.00 0.00 N ATOM 0 H ASN A 28 4.409 -8.716 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 28 6.160 -6.903 -4.761 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.886 -8.642 -6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.989 -7.804 -7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.617 -6.307 -6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.794 -7.585 -5.485 1.00 0.00 H new ATOM 429 N GLN A 29 3.981 -5.640 -6.878 1.00 0.00 N ATOM 430 CA GLN A 29 3.382 -4.390 -7.371 1.00 0.00 C ATOM 431 C GLN A 29 2.724 -3.566 -6.252 1.00 0.00 C ATOM 432 O GLN A 29 2.861 -2.345 -6.235 1.00 0.00 O ATOM 433 CB GLN A 29 2.379 -4.690 -8.497 1.00 0.00 C ATOM 434 CG GLN A 29 2.983 -5.396 -9.725 1.00 0.00 C ATOM 435 CD GLN A 29 4.073 -4.588 -10.441 1.00 0.00 C ATOM 436 OE1 GLN A 29 5.172 -5.067 -10.688 1.00 0.00 O ATOM 437 NE2 GLN A 29 3.824 -3.343 -10.801 1.00 0.00 N ATOM 0 H GLN A 29 3.493 -6.477 -7.198 1.00 0.00 H new ATOM 0 HA GLN A 29 4.192 -3.778 -7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.578 -5.311 -8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.925 -3.753 -8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.402 -6.352 -9.411 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.184 -5.615 -10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.914 -2.927 -10.603 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.542 -2.796 -11.277 1.00 0.00 H new ATOM 446 N LEU A 30 2.062 -4.216 -5.284 1.00 0.00 N ATOM 447 CA LEU A 30 1.506 -3.532 -4.107 1.00 0.00 C ATOM 448 C LEU A 30 2.588 -2.926 -3.195 1.00 0.00 C ATOM 449 O LEU A 30 2.347 -1.883 -2.584 1.00 0.00 O ATOM 450 CB LEU A 30 0.516 -4.448 -3.360 1.00 0.00 C ATOM 451 CG LEU A 30 1.068 -5.726 -2.703 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.668 -5.507 -1.307 1.00 0.00 C ATOM 453 CD2 LEU A 30 -0.060 -6.755 -2.569 1.00 0.00 C ATOM 0 H LEU A 30 1.898 -5.223 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 30 0.939 -2.672 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.034 -3.855 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.262 -4.744 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 30 1.872 -6.070 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.034 -6.456 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.494 -4.799 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.903 -5.110 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.328 -7.661 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.857 -6.342 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.454 -6.994 -3.557 1.00 0.00 H new ATOM 465 N MET A 31 3.791 -3.519 -3.141 1.00 0.00 N ATOM 466 CA MET A 31 4.927 -2.923 -2.418 1.00 0.00 C ATOM 467 C MET A 31 5.436 -1.679 -3.145 1.00 0.00 C ATOM 468 O MET A 31 5.638 -0.643 -2.512 1.00 0.00 O ATOM 469 CB MET A 31 6.093 -3.902 -2.246 1.00 0.00 C ATOM 470 CG MET A 31 5.783 -5.122 -1.383 1.00 0.00 C ATOM 471 SD MET A 31 7.235 -6.181 -1.123 1.00 0.00 S ATOM 472 CE MET A 31 6.531 -7.816 -1.474 1.00 0.00 C ATOM 0 H MET A 31 4.003 -4.411 -3.589 1.00 0.00 H new ATOM 0 HA MET A 31 4.554 -2.657 -1.429 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.411 -4.243 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.935 -3.368 -1.806 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.401 -4.792 -0.417 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.993 -5.705 -1.855 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.230 -8.589 -1.155 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.591 -7.931 -0.934 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.349 -7.911 -2.544 1.00 0.00 H new ATOM 482 N ALA A 32 5.601 -1.753 -4.470 1.00 0.00 N ATOM 483 CA ALA A 32 6.020 -0.625 -5.294 1.00 0.00 C ATOM 484 C ALA A 32 5.021 0.547 -5.226 1.00 0.00 C ATOM 485 O ALA A 32 5.435 1.703 -5.125 1.00 0.00 O ATOM 486 CB ALA A 32 6.221 -1.124 -6.733 1.00 0.00 C ATOM 0 H ALA A 32 5.444 -2.609 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 32 6.961 -0.230 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.535 -0.294 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.987 -1.900 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.284 -1.533 -7.110 1.00 0.00 H new ATOM 492 N LEU A 33 3.711 0.256 -5.212 1.00 0.00 N ATOM 493 CA LEU A 33 2.646 1.249 -5.036 1.00 0.00 C ATOM 494 C LEU A 33 2.716 1.950 -3.668 1.00 0.00 C ATOM 495 O LEU A 33 2.715 3.181 -3.608 1.00 0.00 O ATOM 496 CB LEU A 33 1.288 0.548 -5.249 1.00 0.00 C ATOM 497 CG LEU A 33 0.056 1.450 -5.053 1.00 0.00 C ATOM 498 CD1 LEU A 33 0.001 2.597 -6.063 1.00 0.00 C ATOM 499 CD2 LEU A 33 -1.212 0.611 -5.204 1.00 0.00 C ATOM 0 H LEU A 33 3.358 -0.694 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 33 2.773 2.040 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.262 0.136 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.218 -0.293 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 33 0.130 1.883 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.887 3.201 -5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.891 3.218 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.039 2.190 -7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.087 1.246 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.239 0.168 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.216 -0.180 -4.454 1.00 0.00 H new ATOM 511 N ALA A 34 2.817 1.187 -2.578 1.00 0.00 N ATOM 512 CA ALA A 34 2.916 1.749 -1.226 1.00 0.00 C ATOM 513 C ALA A 34 4.221 2.550 -1.008 1.00 0.00 C ATOM 514 O ALA A 34 4.200 3.618 -0.387 1.00 0.00 O ATOM 515 CB ALA A 34 2.767 0.595 -0.224 1.00 0.00 C ATOM 0 H ALA A 34 2.833 0.167 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 34 2.117 2.475 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.837 0.984 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.798 0.115 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.560 -0.134 -0.388 1.00 0.00 H new ATOM 521 N LEU A 35 5.346 2.100 -1.578 1.00 0.00 N ATOM 522 CA LEU A 35 6.620 2.823 -1.589 1.00 0.00 C ATOM 523 C LEU A 35 6.523 4.139 -2.377 1.00 0.00 C ATOM 524 O LEU A 35 6.954 5.184 -1.891 1.00 0.00 O ATOM 525 CB LEU A 35 7.709 1.860 -2.119 1.00 0.00 C ATOM 526 CG LEU A 35 9.176 2.332 -2.099 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.533 3.359 -3.175 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.585 2.887 -0.739 1.00 0.00 C ATOM 0 H LEU A 35 5.395 1.200 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 35 6.893 3.132 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.648 0.939 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.456 1.606 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 35 9.737 1.423 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.584 3.632 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.354 2.930 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.915 4.248 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.627 3.206 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.953 3.739 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.469 2.113 0.020 1.00 0.00 H new ATOM 540 N LYS A 36 5.889 4.120 -3.560 1.00 0.00 N ATOM 541 CA LYS A 36 5.628 5.309 -4.389 1.00 0.00 C ATOM 542 C LYS A 36 4.781 6.343 -3.639 1.00 0.00 C ATOM 543 O LYS A 36 5.155 7.515 -3.578 1.00 0.00 O ATOM 544 CB LYS A 36 4.983 4.866 -5.711 1.00 0.00 C ATOM 545 CG LYS A 36 4.830 6.023 -6.711 1.00 0.00 C ATOM 546 CD LYS A 36 4.252 5.499 -8.035 1.00 0.00 C ATOM 547 CE LYS A 36 4.062 6.595 -9.090 1.00 0.00 C ATOM 548 NZ LYS A 36 5.362 7.104 -9.612 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.535 3.259 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 36 6.570 5.808 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.589 4.080 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.003 4.436 -5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.175 6.789 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.798 6.493 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.915 4.731 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.292 5.021 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.469 6.203 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.498 7.421 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.186 7.843 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.919 7.502 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.890 6.322 -10.050 1.00 0.00 H new ATOM 562 N LEU A 37 3.701 5.902 -2.990 1.00 0.00 N ATOM 563 CA LEU A 37 2.876 6.724 -2.094 1.00 0.00 C ATOM 564 C LEU A 37 3.695 7.311 -0.928 1.00 0.00 C ATOM 565 O LEU A 37 3.502 8.483 -0.585 1.00 0.00 O ATOM 566 CB LEU A 37 1.724 5.859 -1.543 1.00 0.00 C ATOM 567 CG LEU A 37 0.358 6.052 -2.225 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.370 5.810 -3.737 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.629 5.080 -1.590 1.00 0.00 C ATOM 0 H LEU A 37 3.366 4.942 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 37 2.483 7.564 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.008 4.810 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.612 6.071 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 37 0.077 7.095 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.631 5.967 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.064 6.504 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.686 4.786 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.607 5.197 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.278 4.058 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.709 5.288 -0.523 1.00 0.00 H new ATOM 581 N LYS A 38 4.609 6.529 -0.325 1.00 0.00 N ATOM 582 CA LYS A 38 5.435 6.981 0.805 1.00 0.00 C ATOM 583 C LYS A 38 6.441 8.061 0.406 1.00 0.00 C ATOM 584 O LYS A 38 6.485 9.103 1.056 1.00 0.00 O ATOM 585 CB LYS A 38 6.129 5.795 1.507 1.00 0.00 C ATOM 586 CG LYS A 38 6.820 6.183 2.828 1.00 0.00 C ATOM 587 CD LYS A 38 5.845 6.742 3.875 1.00 0.00 C ATOM 588 CE LYS A 38 6.560 7.054 5.195 1.00 0.00 C ATOM 589 NZ LYS A 38 5.599 7.591 6.196 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.794 5.567 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 38 4.754 7.442 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.391 5.018 1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.869 5.365 0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.323 5.308 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.590 6.927 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.376 7.648 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.047 6.021 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.030 6.150 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.356 7.778 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.119 8.103 6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.936 8.240 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.070 6.805 6.625 1.00 0.00 H new ATOM 603 N GLN A 39 7.210 7.861 -0.667 1.00 0.00 N ATOM 604 CA GLN A 39 8.182 8.869 -1.124 1.00 0.00 C ATOM 605 C GLN A 39 7.505 10.175 -1.584 1.00 0.00 C ATOM 606 O GLN A 39 8.074 11.253 -1.413 1.00 0.00 O ATOM 607 CB GLN A 39 9.132 8.278 -2.188 1.00 0.00 C ATOM 608 CG GLN A 39 8.472 7.979 -3.544 1.00 0.00 C ATOM 609 CD GLN A 39 9.480 7.615 -4.635 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.569 8.259 -5.673 1.00 0.00 O ATOM 611 NE2 GLN A 39 10.283 6.585 -4.455 1.00 0.00 N ATOM 0 H GLN A 39 7.182 7.015 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 39 8.795 9.147 -0.266 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.956 8.974 -2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.563 7.356 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.764 7.159 -3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.900 8.850 -3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.224 6.036 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.963 6.337 -5.174 1.00 0.00 H new ATOM 620 N GLN A 40 6.266 10.116 -2.089 1.00 0.00 N ATOM 621 CA GLN A 40 5.476 11.301 -2.447 1.00 0.00 C ATOM 622 C GLN A 40 5.172 12.178 -1.218 1.00 0.00 C ATOM 623 O GLN A 40 5.462 13.375 -1.236 1.00 0.00 O ATOM 624 CB GLN A 40 4.181 10.879 -3.162 1.00 0.00 C ATOM 625 CG GLN A 40 4.430 10.474 -4.628 1.00 0.00 C ATOM 626 CD GLN A 40 3.283 9.681 -5.260 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.355 9.208 -4.619 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.298 9.501 -6.561 1.00 0.00 N ATOM 0 H GLN A 40 5.779 9.236 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 40 6.070 11.908 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.729 10.043 -2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.466 11.701 -3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.604 11.374 -5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.341 9.878 -4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.060 9.885 -7.120 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.548 8.978 -7.012 1.00 0.00 H new ATOM 637 N GLN A 41 4.640 11.604 -0.134 1.00 0.00 N ATOM 638 CA GLN A 41 4.399 12.362 1.104 1.00 0.00 C ATOM 639 C GLN A 41 5.703 12.791 1.805 1.00 0.00 C ATOM 640 O GLN A 41 5.734 13.847 2.436 1.00 0.00 O ATOM 641 CB GLN A 41 3.462 11.593 2.050 1.00 0.00 C ATOM 642 CG GLN A 41 4.029 10.274 2.609 1.00 0.00 C ATOM 643 CD GLN A 41 3.255 9.749 3.815 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.819 9.392 4.843 1.00 0.00 O ATOM 645 NE2 GLN A 41 1.948 9.685 3.749 1.00 0.00 N ATOM 0 H GLN A 41 4.368 10.622 -0.086 1.00 0.00 H new ATOM 0 HA GLN A 41 3.897 13.286 0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.205 12.242 2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.535 11.375 1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.019 9.519 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.071 10.425 2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.465 9.979 2.900 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.413 9.341 4.547 1.00 0.00 H new ATOM 901 N LYS B 115 14.196 2.625 1.802 1.00 0.00 N ATOM 902 CA LYS B 115 13.346 2.037 0.746 1.00 0.00 C ATOM 903 C LYS B 115 13.422 0.503 0.698 1.00 0.00 C ATOM 904 O LYS B 115 12.409 -0.163 0.490 1.00 0.00 O ATOM 905 CB LYS B 115 13.753 2.633 -0.614 1.00 0.00 C ATOM 906 CG LYS B 115 13.583 4.161 -0.660 1.00 0.00 C ATOM 907 CD LYS B 115 14.006 4.723 -2.021 1.00 0.00 C ATOM 908 CE LYS B 115 13.876 6.251 -2.005 1.00 0.00 C ATOM 909 NZ LYS B 115 14.351 6.858 -3.279 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.311 2.285 0.979 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.793 2.380 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.151 2.179 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.543 4.420 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.180 4.620 0.128 1.00 0.00 H new ATOM 0 HD2 LYS B 115 15.035 4.437 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.383 4.302 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.835 6.526 -1.837 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.451 6.656 -1.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.248 7.892 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.352 6.617 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.786 6.490 -4.071 1.00 0.00 H new ATOM 923 N ASP B 116 14.614 -0.056 0.934 1.00 0.00 N ATOM 924 CA ASP B 116 14.849 -1.508 0.993 1.00 0.00 C ATOM 925 C ASP B 116 14.181 -2.134 2.234 1.00 0.00 C ATOM 926 O ASP B 116 13.491 -3.152 2.133 1.00 0.00 O ATOM 927 CB ASP B 116 16.362 -1.762 0.977 1.00 0.00 C ATOM 928 CG ASP B 116 16.749 -3.248 0.836 1.00 0.00 C ATOM 929 OD1 ASP B 116 15.986 -4.042 0.236 1.00 0.00 O ATOM 930 OD2 ASP B 116 17.862 -3.613 1.286 1.00 0.00 O1- ATOM 0 H ASP B 116 15.458 0.494 1.092 1.00 0.00 H new ATOM 0 HA ASP B 116 14.396 -1.986 0.124 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.805 -1.202 0.153 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.795 -1.370 1.897 1.00 0.00 H new ATOM 935 N ASP B 117 14.292 -1.478 3.396 1.00 0.00 N ATOM 936 CA ASP B 117 13.570 -1.869 4.617 1.00 0.00 C ATOM 937 C ASP B 117 12.048 -1.720 4.468 1.00 0.00 C ATOM 938 O ASP B 117 11.290 -2.512 5.035 1.00 0.00 O ATOM 939 CB ASP B 117 14.053 -1.050 5.829 1.00 0.00 C ATOM 940 CG ASP B 117 15.461 -1.394 6.338 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.150 -2.280 5.778 1.00 0.00 O ATOM 942 OD2 ASP B 117 15.865 -0.786 7.360 1.00 0.00 O1- ATOM 0 H ASP B 117 14.887 -0.658 3.518 1.00 0.00 H new ATOM 0 HA ASP B 117 13.790 -2.924 4.782 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.029 0.007 5.564 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.345 -1.190 6.646 1.00 0.00 H new ATOM 947 N TYR B 118 11.576 -0.747 3.675 1.00 0.00 N ATOM 948 CA TYR B 118 10.153 -0.551 3.404 1.00 0.00 C ATOM 949 C TYR B 118 9.567 -1.711 2.586 1.00 0.00 C ATOM 950 O TYR B 118 8.573 -2.303 2.994 1.00 0.00 O ATOM 951 CB TYR B 118 9.917 0.808 2.719 1.00 0.00 C ATOM 952 CG TYR B 118 8.698 1.536 3.253 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.757 2.114 4.535 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.521 1.631 2.493 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.634 2.764 5.073 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.386 2.268 3.032 1.00 0.00 C ATOM 957 CZ TYR B 118 6.434 2.825 4.329 1.00 0.00 C ATOM 958 OH TYR B 118 5.330 3.399 4.875 1.00 0.00 O ATOM 0 H TYR B 118 12.178 -0.072 3.203 1.00 0.00 H new ATOM 0 HA TYR B 118 9.625 -0.543 4.358 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.797 1.436 2.856 1.00 0.00 H new ATOM 0 HB3 TYR B 118 9.800 0.653 1.646 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.671 2.057 5.108 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.486 1.216 1.496 1.00 0.00 H new ATOM 0 HE1 TYR B 118 7.687 3.216 6.052 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.477 2.331 2.452 1.00 0.00 H new ATOM 0 HH TYR B 118 5.603 4.099 5.504 1.00 0.00 H new ATOM 968 N LEU B 119 10.216 -2.127 1.493 1.00 0.00 N ATOM 969 CA LEU B 119 9.822 -3.336 0.755 1.00 0.00 C ATOM 970 C LEU B 119 9.929 -4.603 1.626 1.00 0.00 C ATOM 971 O LEU B 119 9.037 -5.453 1.587 1.00 0.00 O ATOM 972 CB LEU B 119 10.668 -3.447 -0.528 1.00 0.00 C ATOM 973 CG LEU B 119 9.937 -2.900 -1.769 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.465 -1.451 -1.615 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.834 -3.002 -3.002 1.00 0.00 C ATOM 0 H LEU B 119 11.021 -1.642 1.097 1.00 0.00 H new ATOM 0 HA LEU B 119 8.771 -3.251 0.477 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.602 -2.902 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.930 -4.491 -0.696 1.00 0.00 H new ATOM 0 HG LEU B 119 9.047 -3.519 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.959 -1.134 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.775 -1.381 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.325 -0.806 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.304 -2.612 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.742 -2.422 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.096 -4.046 -3.176 1.00 0.00 H new ATOM 987 N SER B 120 10.963 -4.710 2.470 1.00 0.00 N ATOM 988 CA SER B 120 11.125 -5.830 3.411 1.00 0.00 C ATOM 989 C SER B 120 9.954 -5.941 4.399 1.00 0.00 C ATOM 990 O SER B 120 9.400 -7.033 4.569 1.00 0.00 O ATOM 991 CB SER B 120 12.461 -5.704 4.146 1.00 0.00 C ATOM 992 OG SER B 120 12.674 -6.808 5.008 1.00 0.00 O ATOM 0 H SER B 120 11.714 -4.021 2.521 1.00 0.00 H new ATOM 0 HA SER B 120 11.124 -6.753 2.831 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.274 -5.642 3.422 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.477 -4.779 4.723 1.00 0.00 H new ATOM 0 HG SER B 120 13.535 -6.705 5.465 1.00 0.00 H new ATOM 998 N ARG B 121 9.513 -4.826 5.006 1.00 0.00 N ATOM 999 CA ARG B 121 8.392 -4.819 5.970 1.00 0.00 C ATOM 1000 C ARG B 121 7.015 -4.949 5.299 1.00 0.00 C ATOM 1001 O ARG B 121 6.176 -5.678 5.818 1.00 0.00 O ATOM 1002 CB ARG B 121 8.502 -3.606 6.924 1.00 0.00 C ATOM 1003 CG ARG B 121 7.865 -2.311 6.395 1.00 0.00 C ATOM 1004 CD ARG B 121 8.073 -1.119 7.334 1.00 0.00 C ATOM 1005 NE ARG B 121 7.147 -0.028 6.983 1.00 0.00 N ATOM 1006 CZ ARG B 121 5.940 0.173 7.487 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.455 -0.569 8.445 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 5.173 1.119 7.040 1.00 0.00 N ATOM 0 H ARG B 121 9.920 -3.905 4.845 1.00 0.00 H new ATOM 0 HA ARG B 121 8.478 -5.718 6.581 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.032 -3.864 7.873 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.556 -3.418 7.130 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.288 -2.076 5.418 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.797 -2.470 6.249 1.00 0.00 H new ATOM 0 HD2 ARG B 121 7.909 -1.427 8.367 1.00 0.00 H new ATOM 0 HD3 ARG B 121 9.103 -0.768 7.266 1.00 0.00 H new ATOM 0 HE ARG B 121 7.468 0.639 6.281 1.00 0.00 H new ATOM 0 HH11 ARG B 121 6.011 -1.333 8.829 1.00 0.00 H new ATOM 0 HH12 ARG B 121 4.520 -0.385 8.809 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.497 1.725 6.286 1.00 0.00 H new ATOM 0 HH22 ARG B 121 4.246 1.257 7.442 1.00 0.00 H new ATOM 1022 N LEU B 122 6.788 -4.303 4.153 1.00 0.00 N ATOM 1023 CA LEU B 122 5.507 -4.323 3.428 1.00 0.00 C ATOM 1024 C LEU B 122 5.121 -5.739 2.975 1.00 0.00 C ATOM 1025 O LEU B 122 3.940 -6.099 2.999 1.00 0.00 O ATOM 1026 CB LEU B 122 5.580 -3.374 2.212 1.00 0.00 C ATOM 1027 CG LEU B 122 5.096 -1.923 2.421 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.465 -1.251 3.752 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.667 -1.074 1.285 1.00 0.00 C ATOM 0 H LEU B 122 7.501 -3.739 3.691 1.00 0.00 H new ATOM 0 HA LEU B 122 4.732 -3.981 4.114 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.615 -3.339 1.872 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.994 -3.813 1.405 1.00 0.00 H new ATOM 0 HG LEU B 122 4.008 -1.985 2.435 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.066 -0.237 3.771 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.042 -1.823 4.578 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.550 -1.216 3.853 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.342 -0.040 1.405 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.756 -1.117 1.310 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.311 -1.458 0.329 1.00 0.00 H new ATOM 1041 N SER B 123 6.105 -6.574 2.635 1.00 0.00 N ATOM 1042 CA SER B 123 5.905 -7.994 2.316 1.00 0.00 C ATOM 1043 C SER B 123 5.217 -8.793 3.442 1.00 0.00 C ATOM 1044 O SER B 123 4.437 -9.708 3.169 1.00 0.00 O ATOM 1045 CB SER B 123 7.270 -8.613 1.984 1.00 0.00 C ATOM 1046 OG SER B 123 7.108 -9.939 1.512 1.00 0.00 O ATOM 0 H SER B 123 7.080 -6.280 2.572 1.00 0.00 H new ATOM 0 HA SER B 123 5.229 -8.047 1.463 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.776 -8.011 1.229 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.903 -8.611 2.871 1.00 0.00 H new ATOM 0 HG SER B 123 7.986 -10.321 1.303 1.00 0.00 H new ATOM 1052 N ARG B 124 5.448 -8.425 4.712 1.00 0.00 N ATOM 1053 CA ARG B 124 4.981 -9.168 5.901 1.00 0.00 C ATOM 1054 C ARG B 124 3.482 -8.989 6.204 1.00 0.00 C ATOM 1055 O ARG B 124 2.907 -9.826 6.906 1.00 0.00 O ATOM 1056 CB ARG B 124 5.817 -8.769 7.136 1.00 0.00 C ATOM 1057 CG ARG B 124 7.345 -8.832 6.959 1.00 0.00 C ATOM 1058 CD ARG B 124 7.887 -10.159 6.409 1.00 0.00 C ATOM 1059 NE ARG B 124 7.585 -11.297 7.300 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.905 -12.562 7.103 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.539 -12.962 6.036 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.586 -13.463 7.986 1.00 0.00 N ATOM 0 H ARG B 124 5.976 -7.585 4.950 1.00 0.00 H new ATOM 0 HA ARG B 124 5.121 -10.224 5.670 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.545 -7.753 7.423 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.539 -9.420 7.965 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.650 -8.028 6.289 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.814 -8.639 7.924 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.456 -10.346 5.425 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.966 -10.081 6.275 1.00 0.00 H new ATOM 0 HE ARG B 124 7.076 -11.083 8.157 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.805 -12.288 5.318 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.769 -13.949 5.919 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.087 -13.192 8.833 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.835 -14.440 7.831 1.00 0.00 H new ATOM 1076 N LEU B 125 2.844 -7.929 5.697 1.00 0.00 N ATOM 1077 CA LEU B 125 1.417 -7.653 5.927 1.00 0.00 C ATOM 1078 C LEU B 125 0.494 -8.624 5.177 1.00 0.00 C ATOM 1079 O LEU B 125 0.745 -8.998 4.029 1.00 0.00 O ATOM 1080 CB LEU B 125 1.057 -6.197 5.556 1.00 0.00 C ATOM 1081 CG LEU B 125 1.517 -5.059 6.494 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.535 -5.417 7.981 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.895 -4.526 6.103 1.00 0.00 C ATOM 0 H LEU B 125 3.304 -7.232 5.111 1.00 0.00 H new ATOM 0 HA LEU B 125 1.253 -7.801 6.995 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.468 -5.996 4.566 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.028 -6.136 5.469 1.00 0.00 H new ATOM 0 HG LEU B 125 0.756 -4.290 6.359 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.871 -4.556 8.559 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.531 -5.698 8.300 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.216 -6.252 8.146 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.183 -3.727 6.786 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.626 -5.332 6.158 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.860 -4.138 5.085 1.00 0.00 H new ATOM 1095 N SER B 126 -0.620 -8.978 5.824 1.00 0.00 N ATOM 1096 CA SER B 126 -1.770 -9.676 5.229 1.00 0.00 C ATOM 1097 C SER B 126 -2.548 -8.774 4.253 1.00 0.00 C ATOM 1098 O SER B 126 -2.380 -7.550 4.256 1.00 0.00 O ATOM 1099 CB SER B 126 -2.676 -10.202 6.349 1.00 0.00 C ATOM 1100 OG SER B 126 -3.729 -10.997 5.833 1.00 0.00 O ATOM 0 H SER B 126 -0.754 -8.780 6.816 1.00 0.00 H new ATOM 0 HA SER B 126 -1.402 -10.517 4.642 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.085 -10.790 7.051 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.092 -9.363 6.907 1.00 0.00 H new ATOM 0 HG SER B 126 -4.288 -11.319 6.571 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.426 -9.363 3.431 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.137 -8.702 2.323 1.00 0.00 C ATOM 1108 C LYS B 127 -4.992 -7.505 2.770 1.00 0.00 C ATOM 1109 O LYS B 127 -5.057 -6.512 2.058 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.975 -9.755 1.562 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.411 -9.315 0.153 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.261 -9.376 -0.871 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.579 -8.687 -2.206 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.693 -9.334 -2.945 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.671 -10.349 3.520 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.389 -8.275 1.654 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.395 -10.674 1.480 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.863 -9.989 2.149 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.228 -9.952 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.798 -8.297 0.198 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.375 -8.913 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.013 -10.420 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.833 -7.644 -2.018 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.686 -8.690 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.365 -9.616 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -6.013 -10.175 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.483 -8.664 -3.039 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.608 -7.556 3.953 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.351 -6.430 4.537 1.00 0.00 C ATOM 1130 C ASN B 128 -5.424 -5.374 5.186 1.00 0.00 C ATOM 1131 O ASN B 128 -5.693 -4.172 5.134 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.357 -7.000 5.552 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.243 -5.921 6.155 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.971 -5.223 5.461 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.226 -5.755 7.457 1.00 0.00 N ATOM 0 H ASN B 128 -5.607 -8.389 4.542 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.876 -5.900 3.742 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.981 -7.747 5.061 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.816 -7.510 6.349 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -8.819 -5.046 7.888 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.620 -6.335 8.037 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.317 -5.808 5.794 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.369 -4.940 6.507 1.00 0.00 C ATOM 1144 C GLN B 129 -2.574 -4.028 5.555 1.00 0.00 C ATOM 1145 O GLN B 129 -2.398 -2.842 5.845 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.398 -5.801 7.333 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.084 -6.576 8.478 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.160 -7.599 9.139 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.167 -8.055 8.581 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.462 -8.037 10.342 1.00 0.00 N ATOM 0 H GLN B 129 -4.047 -6.792 5.806 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.951 -4.294 7.163 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.901 -6.511 6.671 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.623 -5.160 7.752 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.433 -5.869 9.231 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.964 -7.087 8.088 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.283 -7.673 10.826 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.876 -8.741 10.791 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.137 -4.547 4.399 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.437 -3.765 3.374 1.00 0.00 C ATOM 1161 C LEU B 130 -2.332 -2.676 2.748 1.00 0.00 C ATOM 1162 O LEU B 130 -1.840 -1.599 2.406 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.795 -4.704 2.330 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.744 -5.571 1.478 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.216 -4.883 0.191 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -1.024 -6.867 1.082 1.00 0.00 C ATOM 0 H LEU B 130 -2.261 -5.528 4.149 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.628 -3.217 3.857 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.196 -4.095 1.653 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.108 -5.370 2.853 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.623 -5.759 2.094 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.880 -5.552 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.751 -3.967 0.443 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.353 -4.640 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.691 -7.484 0.479 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.132 -6.626 0.504 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.738 -7.413 1.981 1.00 0.00 H new ATOM 1178 N MET B 131 -3.651 -2.908 2.669 1.00 0.00 N ATOM 1179 CA MET B 131 -4.615 -1.891 2.229 1.00 0.00 C ATOM 1180 C MET B 131 -4.716 -0.744 3.233 1.00 0.00 C ATOM 1181 O MET B 131 -4.647 0.416 2.832 1.00 0.00 O ATOM 1182 CB MET B 131 -6.015 -2.473 2.023 1.00 0.00 C ATOM 1183 CG MET B 131 -6.111 -3.499 0.897 1.00 0.00 C ATOM 1184 SD MET B 131 -7.716 -4.329 0.864 1.00 0.00 S ATOM 1185 CE MET B 131 -7.358 -5.541 -0.426 1.00 0.00 C ATOM 0 H MET B 131 -4.077 -3.803 2.908 1.00 0.00 H new ATOM 0 HA MET B 131 -4.239 -1.518 1.276 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.342 -2.940 2.952 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.708 -1.657 1.815 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.940 -3.004 -0.059 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.322 -4.242 1.016 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.267 -6.090 -0.672 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.991 -5.028 -1.315 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.599 -6.238 -0.070 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.838 -1.044 4.529 1.00 0.00 N ATOM 1196 CA ALA B 132 -4.956 -0.024 5.575 1.00 0.00 C ATOM 1197 C ALA B 132 -3.712 0.886 5.636 1.00 0.00 C ATOM 1198 O ALA B 132 -3.841 2.104 5.799 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.204 -0.729 6.917 1.00 0.00 C ATOM 0 H ALA B 132 -4.858 -2.000 4.883 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.796 0.630 5.344 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.294 0.016 7.708 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.125 -1.310 6.858 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.369 -1.394 7.138 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.511 0.315 5.434 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.250 1.058 5.317 1.00 0.00 C ATOM 1207 C LEU B 133 -1.270 2.011 4.107 1.00 0.00 C ATOM 1208 O LEU B 133 -1.053 3.214 4.260 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.080 0.040 5.302 1.00 0.00 C ATOM 1210 CG LEU B 133 1.365 0.571 5.159 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.752 0.975 3.735 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.666 1.728 6.115 1.00 0.00 C ATOM 0 H LEU B 133 -2.391 -0.694 5.346 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.109 1.712 6.178 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.131 -0.535 6.226 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.259 -0.657 4.483 1.00 0.00 H new ATOM 0 HG LEU B 133 1.980 -0.287 5.430 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.781 1.336 3.726 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.664 0.112 3.075 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.087 1.766 3.388 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.694 2.061 5.971 1.00 0.00 H new ATOM 0 HD22 LEU B 133 0.985 2.554 5.912 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.534 1.394 7.144 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.564 1.501 2.907 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.598 2.302 1.681 1.00 0.00 C ATOM 1226 C ALA B 134 -2.695 3.385 1.708 1.00 0.00 C ATOM 1227 O ALA B 134 -2.453 4.508 1.277 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.749 1.344 0.495 1.00 0.00 C ATOM 0 H ALA B 134 -1.786 0.517 2.759 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.666 2.859 1.586 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.777 1.915 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.903 0.657 0.472 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.674 0.777 0.600 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.869 3.089 2.276 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.977 4.036 2.444 1.00 0.00 C ATOM 1236 C LEU B 135 -4.601 5.202 3.373 1.00 0.00 C ATOM 1237 O LEU B 135 -4.834 6.367 3.035 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.199 3.237 2.941 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.587 3.906 2.928 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.754 5.063 3.915 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.967 4.376 1.524 1.00 0.00 C ATOM 0 H LEU B 135 -4.080 2.160 2.641 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.220 4.510 1.493 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.266 2.330 2.340 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -5.994 2.926 3.965 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.265 3.120 3.259 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.762 5.469 3.832 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.591 4.702 4.930 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.028 5.844 3.687 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.951 4.843 1.551 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.232 5.099 1.171 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.989 3.521 0.848 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.941 4.912 4.504 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.403 5.920 5.437 1.00 0.00 C ATOM 1255 C LYS B 136 -2.385 6.844 4.769 1.00 0.00 C ATOM 1256 O LYS B 136 -2.519 8.062 4.883 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.829 5.193 6.667 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.279 6.164 7.728 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.901 5.460 9.039 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.769 4.438 8.855 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.402 3.818 10.154 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.762 3.954 4.804 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.209 6.579 5.761 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.607 4.575 7.115 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.032 4.521 6.348 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.402 6.673 7.328 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.026 6.930 7.935 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.596 6.206 9.773 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.779 4.956 9.443 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.082 3.665 8.153 1.00 0.00 H new ATOM 0 HE3 LYS B 136 0.103 4.928 8.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.365 3.131 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.083 4.556 10.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.230 3.332 10.553 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.444 6.295 3.999 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.505 7.083 3.190 1.00 0.00 C ATOM 1277 C LEU B 137 -1.230 7.917 2.116 1.00 0.00 C ATOM 1278 O LEU B 137 -0.845 9.064 1.876 1.00 0.00 O ATOM 1279 CB LEU B 137 0.511 6.134 2.523 1.00 0.00 C ATOM 1280 CG LEU B 137 1.844 5.921 3.272 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.690 5.572 4.754 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.607 4.792 2.576 1.00 0.00 C ATOM 0 H LEU B 137 -1.309 5.287 3.917 1.00 0.00 H new ATOM 0 HA LEU B 137 0.010 7.780 3.851 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.035 5.163 2.390 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.736 6.518 1.528 1.00 0.00 H new ATOM 0 HG LEU B 137 2.378 6.871 3.239 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.675 5.440 5.201 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.165 6.379 5.265 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.120 4.648 4.853 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.554 4.623 3.088 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.012 3.879 2.604 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.800 5.068 1.539 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.282 7.370 1.487 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.038 8.037 0.420 1.00 0.00 C ATOM 1296 C LYS B 138 -3.825 9.249 0.923 1.00 0.00 C ATOM 1297 O LYS B 138 -3.695 10.330 0.355 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.949 7.043 -0.329 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.535 7.618 -1.637 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.444 8.000 -2.650 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.031 8.368 -4.011 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.951 8.762 -4.954 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.635 6.439 1.710 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.304 8.419 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.380 6.142 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.767 6.745 0.327 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.203 6.883 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.137 8.497 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.869 8.842 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.751 7.167 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.585 7.521 -4.416 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.740 9.188 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.367 9.009 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.440 9.584 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.289 7.969 -5.075 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.599 9.107 2.003 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.365 10.238 2.553 1.00 0.00 C ATOM 1318 C GLN B 139 -4.452 11.369 3.073 1.00 0.00 C ATOM 1319 O GLN B 139 -4.800 12.543 2.947 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.400 9.758 3.582 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.817 9.236 4.899 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.919 8.720 5.815 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.816 9.442 6.240 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -6.923 7.448 6.136 1.00 0.00 N ATOM 0 H GLN B 139 -4.714 8.231 2.512 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.930 10.687 1.736 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.077 10.583 3.805 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.999 8.967 3.130 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.105 8.437 4.694 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.267 10.033 5.399 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.186 6.833 5.792 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.664 7.074 6.730 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.248 11.046 3.561 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.221 12.020 3.955 1.00 0.00 C ATOM 1335 C GLN B 140 -1.721 12.872 2.772 1.00 0.00 C ATOM 1336 O GLN B 140 -1.756 14.101 2.843 1.00 0.00 O ATOM 1337 CB GLN B 140 -1.066 11.284 4.651 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.443 10.849 6.075 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.521 9.788 6.680 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.420 9.283 6.076 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.735 9.406 7.919 1.00 0.00 N ATOM 0 H GLN B 140 -2.954 10.079 3.696 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.673 12.725 4.653 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.788 10.408 4.065 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.191 11.933 4.689 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.440 11.726 6.722 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.462 10.463 6.066 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.509 9.806 8.450 1.00 0.00 H new ATOM 0 HE22 GLN B 140 -0.127 8.709 8.350 1.00 0.00 H new