USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 LYS NZ :NH3+ -163:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.94 K(o=3.9,f=-2.1) USER MOD Set 1.3: B 140 GLN : amide:sc= 0.907 K(o=3.9,f=-2.1) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 148:sc= 0.681 (180deg=0) USER MOD Set 2.2: B 123 SER OG : rot 180:sc= 0.716 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 131 MET CE :methyl -166:sc= 0 (180deg=-0.447) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 79:sc= 0.395 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.584 K(o=0.58,f=-4.2!) USER MOD Single : A 31 MET CE :methyl 176:sc= -0.592 (180deg=-0.602) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 30:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 127 LYS NZ :NH3+ -163:sc= 0.805 (180deg=0.619) USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.606 K(o=0.61,f=-4.2!) 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= -0.125 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N TRP A 14 -14.907 6.965 -1.487 1.00 0.00 N ATOM 165 CA TRP A 14 -13.678 6.697 -2.251 1.00 0.00 C ATOM 166 C TRP A 14 -12.746 5.678 -1.581 1.00 0.00 C ATOM 167 O TRP A 14 -11.992 4.988 -2.272 1.00 0.00 O ATOM 168 CB TRP A 14 -12.936 8.020 -2.503 1.00 0.00 C ATOM 169 CG TRP A 14 -12.209 8.627 -1.335 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.693 9.574 -0.501 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.857 8.329 -0.852 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.743 9.887 0.456 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.588 9.152 0.284 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.821 7.461 -1.263 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -9.369 9.106 0.985 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.592 7.404 -0.574 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.366 8.224 0.549 1.00 0.00 C ATOM 0 HA TRP A 14 -13.982 6.245 -3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -12.215 7.857 -3.304 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.659 8.750 -2.869 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.674 10.020 -0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.880 10.575 1.196 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.974 6.827 -2.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.207 9.739 1.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.819 6.728 -0.909 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.423 8.175 1.074 1.00 0.00 H new ATOM 188 N LYS A 15 -12.783 5.560 -0.249 1.00 0.00 N ATOM 189 CA LYS A 15 -11.877 4.704 0.538 1.00 0.00 C ATOM 190 C LYS A 15 -12.094 3.214 0.274 1.00 0.00 C ATOM 191 O LYS A 15 -11.129 2.467 0.112 1.00 0.00 O ATOM 192 CB LYS A 15 -12.042 5.026 2.033 1.00 0.00 C ATOM 193 CG LYS A 15 -11.654 6.477 2.366 1.00 0.00 C ATOM 194 CD LYS A 15 -11.951 6.792 3.829 1.00 0.00 C ATOM 195 CE LYS A 15 -11.503 8.214 4.171 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.970 8.616 5.522 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.456 6.066 0.327 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.856 4.922 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.077 4.853 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.426 4.344 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.594 6.631 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.204 7.163 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.019 6.684 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.438 6.078 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.416 8.276 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.893 8.909 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.651 9.585 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.009 8.579 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.578 7.966 6.233 1.00 0.00 H new ATOM 210 N ASP A 16 -13.354 2.785 0.178 1.00 0.00 N ATOM 211 CA ASP A 16 -13.728 1.405 -0.154 1.00 0.00 C ATOM 212 C ASP A 16 -13.370 1.057 -1.615 1.00 0.00 C ATOM 213 O ASP A 16 -12.878 -0.033 -1.910 1.00 0.00 O ATOM 214 CB ASP A 16 -15.237 1.241 0.090 1.00 0.00 C ATOM 215 CG ASP A 16 -15.729 -0.204 -0.080 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.018 -1.155 0.333 1.00 0.00 O ATOM 217 OD2 ASP A 16 -16.856 -0.401 -0.595 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.157 3.395 0.331 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.169 0.718 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.474 1.581 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.781 1.886 -0.600 1.00 0.00 H new ATOM 222 N ASP A 17 -13.542 2.010 -2.538 1.00 0.00 N ATOM 223 CA ASP A 17 -13.108 1.878 -3.936 1.00 0.00 C ATOM 224 C ASP A 17 -11.571 1.820 -4.073 1.00 0.00 C ATOM 225 O ASP A 17 -11.044 1.072 -4.899 1.00 0.00 O ATOM 226 CB ASP A 17 -13.687 3.050 -4.743 1.00 0.00 C ATOM 227 CG ASP A 17 -13.471 2.917 -6.260 1.00 0.00 C ATOM 228 OD1 ASP A 17 -13.197 3.947 -6.922 1.00 0.00 O ATOM 229 OD2 ASP A 17 -13.618 1.798 -6.812 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.990 2.903 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.483 0.932 -4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.755 3.127 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.230 3.978 -4.399 1.00 0.00 H new ATOM 234 N TYR A 18 -10.836 2.556 -3.231 1.00 0.00 N ATOM 235 CA TYR A 18 -9.371 2.519 -3.213 1.00 0.00 C ATOM 236 C TYR A 18 -8.849 1.172 -2.684 1.00 0.00 C ATOM 237 O TYR A 18 -8.010 0.551 -3.338 1.00 0.00 O ATOM 238 CB TYR A 18 -8.822 3.713 -2.420 1.00 0.00 C ATOM 239 CG TYR A 18 -7.392 4.070 -2.767 1.00 0.00 C ATOM 240 CD1 TYR A 18 -7.126 4.673 -4.013 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.336 3.824 -1.866 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.809 4.998 -4.375 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.018 4.164 -2.223 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.748 4.733 -3.485 1.00 0.00 C ATOM 245 OH TYR A 18 -3.470 5.029 -3.840 1.00 0.00 O ATOM 0 H TYR A 18 -11.240 3.193 -2.544 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.006 2.606 -4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.457 4.580 -2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.883 3.489 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.939 4.886 -4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.538 3.376 -0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.609 5.451 -5.335 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.210 3.989 -1.528 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.469 5.796 -4.449 1.00 0.00 H new ATOM 255 N LEU A 19 -9.430 0.637 -1.603 1.00 0.00 N ATOM 256 CA LEU A 19 -9.195 -0.745 -1.152 1.00 0.00 C ATOM 257 C LEU A 19 -9.520 -1.770 -2.260 1.00 0.00 C ATOM 258 O LEU A 19 -8.719 -2.668 -2.523 1.00 0.00 O ATOM 259 CB LEU A 19 -10.031 -1.001 0.120 1.00 0.00 C ATOM 260 CG LEU A 19 -9.265 -0.843 1.445 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.472 0.454 1.570 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.251 -0.910 2.613 1.00 0.00 C ATOM 0 H LEU A 19 -10.081 1.153 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.137 -0.871 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.878 -0.315 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.438 -2.011 0.072 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.543 -1.659 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.965 0.479 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.733 0.507 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.150 1.304 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.710 -0.798 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.983 -0.108 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.764 -1.872 2.602 1.00 0.00 H new ATOM 274 N SER A 20 -10.649 -1.619 -2.964 1.00 0.00 N ATOM 275 CA SER A 20 -11.022 -2.503 -4.079 1.00 0.00 C ATOM 276 C SER A 20 -9.967 -2.534 -5.189 1.00 0.00 C ATOM 277 O SER A 20 -9.636 -3.620 -5.665 1.00 0.00 O ATOM 278 CB SER A 20 -12.390 -2.116 -4.642 1.00 0.00 C ATOM 279 OG SER A 20 -12.782 -3.019 -5.672 1.00 0.00 O ATOM 0 H SER A 20 -11.330 -0.882 -2.778 1.00 0.00 H new ATOM 0 HA SER A 20 -11.080 -3.513 -3.673 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.132 -2.122 -3.844 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.353 -1.100 -5.036 1.00 0.00 H new ATOM 0 HG SER A 20 -13.124 -3.845 -5.270 1.00 0.00 H new ATOM 285 N ARG A 21 -9.385 -1.389 -5.581 1.00 0.00 N ATOM 286 CA ARG A 21 -8.329 -1.350 -6.616 1.00 0.00 C ATOM 287 C ARG A 21 -6.951 -1.799 -6.109 1.00 0.00 C ATOM 288 O ARG A 21 -6.220 -2.461 -6.843 1.00 0.00 O ATOM 289 CB ARG A 21 -8.324 0.005 -7.355 1.00 0.00 C ATOM 290 CG ARG A 21 -7.403 1.098 -6.792 1.00 0.00 C ATOM 291 CD ARG A 21 -7.524 2.376 -7.632 1.00 0.00 C ATOM 292 NE ARG A 21 -6.356 3.260 -7.449 1.00 0.00 N ATOM 293 CZ ARG A 21 -6.074 4.338 -8.161 1.00 0.00 C ATOM 294 NH1 ARG A 21 -6.901 4.832 -9.042 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -4.930 4.945 -8.011 1.00 0.00 N ATOM 0 H ARG A 21 -9.626 -0.475 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.581 -2.105 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.043 -0.175 -8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.343 0.391 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.667 1.309 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.370 0.750 -6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.620 2.112 -8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.432 2.910 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.705 3.016 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.803 4.384 -9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.645 5.666 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.247 4.589 -7.342 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.717 5.776 -8.563 1.00 0.00 H new ATOM 309 N LEU A 22 -6.607 -1.522 -4.844 1.00 0.00 N ATOM 310 CA LEU A 22 -5.362 -1.972 -4.199 1.00 0.00 C ATOM 311 C LEU A 22 -5.284 -3.508 -4.083 1.00 0.00 C ATOM 312 O LEU A 22 -4.213 -4.089 -4.262 1.00 0.00 O ATOM 313 CB LEU A 22 -5.257 -1.324 -2.808 1.00 0.00 C ATOM 314 CG LEU A 22 -4.491 0.012 -2.717 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.691 0.998 -3.876 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.897 0.698 -1.411 1.00 0.00 C ATOM 0 H LEU A 22 -7.198 -0.967 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.524 -1.662 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.267 -1.162 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.777 -2.037 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.435 -0.254 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.101 1.897 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.369 0.534 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.745 1.265 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.370 1.648 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.972 0.879 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.639 0.057 -0.568 1.00 0.00 H new ATOM 328 N SER A 23 -6.421 -4.174 -3.858 1.00 0.00 N ATOM 329 CA SER A 23 -6.544 -5.638 -3.826 1.00 0.00 C ATOM 330 C SER A 23 -6.038 -6.337 -5.105 1.00 0.00 C ATOM 331 O SER A 23 -5.518 -7.457 -5.041 1.00 0.00 O ATOM 332 CB SER A 23 -8.022 -5.985 -3.600 1.00 0.00 C ATOM 333 OG SER A 23 -8.227 -7.383 -3.485 1.00 0.00 O ATOM 0 H SER A 23 -7.307 -3.698 -3.688 1.00 0.00 H new ATOM 0 HA SER A 23 -5.910 -6.002 -3.017 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.376 -5.491 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.616 -5.598 -4.428 1.00 0.00 H new ATOM 0 HG SER A 23 -9.179 -7.563 -3.340 1.00 0.00 H new ATOM 339 N ARG A 24 -6.138 -5.674 -6.271 1.00 0.00 N ATOM 340 CA ARG A 24 -5.879 -6.270 -7.603 1.00 0.00 C ATOM 341 C ARG A 24 -4.394 -6.471 -7.921 1.00 0.00 C ATOM 342 O ARG A 24 -4.055 -7.290 -8.776 1.00 0.00 O ATOM 343 CB ARG A 24 -6.527 -5.407 -8.703 1.00 0.00 C ATOM 344 CG ARG A 24 -7.973 -4.956 -8.417 1.00 0.00 C ATOM 345 CD ARG A 24 -8.899 -6.096 -7.991 1.00 0.00 C ATOM 346 NE ARG A 24 -10.232 -5.571 -7.630 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.423 -5.923 -8.069 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.589 -6.850 -8.971 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.484 -5.331 -7.608 1.00 0.00 N ATOM 0 H ARG A 24 -6.406 -4.691 -6.320 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.326 -7.264 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.911 -4.521 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.517 -5.969 -9.637 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.960 -4.198 -7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.380 -4.483 -9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.993 -6.818 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.467 -6.625 -7.141 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.230 -4.823 -6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.779 -7.331 -9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.528 -7.094 -9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.394 -4.595 -6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.407 -5.602 -7.947 1.00 0.00 H new ATOM 363 N LEU A 25 -3.516 -5.726 -7.252 1.00 0.00 N ATOM 364 CA LEU A 25 -2.060 -5.766 -7.446 1.00 0.00 C ATOM 365 C LEU A 25 -1.433 -7.077 -6.923 1.00 0.00 C ATOM 366 O LEU A 25 -1.830 -7.611 -5.884 1.00 0.00 O ATOM 367 CB LEU A 25 -1.367 -4.546 -6.802 1.00 0.00 C ATOM 368 CG LEU A 25 -1.533 -3.163 -7.473 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.524 -3.196 -9.002 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.795 -2.445 -7.016 1.00 0.00 C ATOM 0 H LEU A 25 -3.802 -5.057 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.895 -5.728 -8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.728 -4.462 -5.777 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.300 -4.762 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.650 -2.615 -7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.646 -2.184 -9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.577 -3.606 -9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.343 -3.821 -9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.865 -1.479 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.668 -3.048 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.757 -2.293 -5.937 1.00 0.00 H new ATOM 382 N SER A 26 -0.413 -7.557 -7.642 1.00 0.00 N ATOM 383 CA SER A 26 0.470 -8.657 -7.232 1.00 0.00 C ATOM 384 C SER A 26 1.408 -8.258 -6.079 1.00 0.00 C ATOM 385 O SER A 26 1.552 -7.073 -5.754 1.00 0.00 O ATOM 386 CB SER A 26 1.258 -9.144 -8.457 1.00 0.00 C ATOM 387 OG SER A 26 2.026 -10.299 -8.153 1.00 0.00 O ATOM 0 H SER A 26 -0.170 -7.178 -8.557 1.00 0.00 H new ATOM 0 HA SER A 26 -0.144 -9.471 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.568 -9.368 -9.270 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.916 -8.349 -8.808 1.00 0.00 H new ATOM 0 HG SER A 26 2.515 -10.586 -8.952 1.00 0.00 H new ATOM 393 N LYS A 27 2.075 -9.237 -5.445 1.00 0.00 N ATOM 394 CA LYS A 27 2.900 -9.064 -4.234 1.00 0.00 C ATOM 395 C LYS A 27 4.047 -8.058 -4.400 1.00 0.00 C ATOM 396 O LYS A 27 4.316 -7.285 -3.488 1.00 0.00 O ATOM 397 CB LYS A 27 3.411 -10.449 -3.781 1.00 0.00 C ATOM 398 CG LYS A 27 4.128 -10.462 -2.414 1.00 0.00 C ATOM 399 CD LYS A 27 3.194 -10.155 -1.230 1.00 0.00 C ATOM 400 CE LYS A 27 3.948 -10.063 0.101 1.00 0.00 C ATOM 401 NZ LYS A 27 4.523 -11.357 0.547 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.055 -10.203 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 27 2.268 -8.628 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.566 -11.136 -3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.095 -10.833 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.586 -11.439 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.936 -9.730 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.674 -9.215 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.433 -10.932 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.751 -9.332 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.269 -9.692 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.403 -11.183 1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.842 -11.846 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.728 -11.950 -0.282 1.00 0.00 H new ATOM 415 N ASN A 28 4.691 -8.009 -5.568 1.00 0.00 N ATOM 416 CA ASN A 28 5.700 -6.993 -5.898 1.00 0.00 C ATOM 417 C ASN A 28 5.080 -5.622 -6.248 1.00 0.00 C ATOM 418 O ASN A 28 5.597 -4.576 -5.844 1.00 0.00 O ATOM 419 CB ASN A 28 6.555 -7.534 -7.054 1.00 0.00 C ATOM 420 CG ASN A 28 7.645 -6.557 -7.473 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.513 -5.818 -8.441 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.747 -6.510 -6.760 1.00 0.00 N ATOM 0 H ASN A 28 4.527 -8.678 -6.320 1.00 0.00 H new ATOM 0 HA ASN A 28 6.319 -6.811 -5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.011 -8.478 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.913 -7.747 -7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.491 -5.859 -7.013 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.859 -7.124 -5.954 1.00 0.00 H new ATOM 429 N GLN A 29 3.953 -5.614 -6.968 1.00 0.00 N ATOM 430 CA GLN A 29 3.263 -4.400 -7.429 1.00 0.00 C ATOM 431 C GLN A 29 2.669 -3.584 -6.268 1.00 0.00 C ATOM 432 O GLN A 29 2.786 -2.357 -6.256 1.00 0.00 O ATOM 433 CB GLN A 29 2.158 -4.790 -8.420 1.00 0.00 C ATOM 434 CG GLN A 29 2.679 -5.399 -9.734 1.00 0.00 C ATOM 435 CD GLN A 29 1.553 -5.971 -10.600 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.440 -6.235 -10.153 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.791 -6.212 -11.872 1.00 0.00 N ATOM 0 H GLN A 29 3.482 -6.472 -7.255 1.00 0.00 H new ATOM 0 HA GLN A 29 4.001 -3.764 -7.918 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.490 -5.505 -7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.564 -3.906 -8.652 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.215 -4.635 -10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.395 -6.188 -9.506 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.707 -6.002 -12.268 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.059 -6.609 -12.461 1.00 0.00 H new ATOM 446 N LEU A 30 2.084 -4.242 -5.255 1.00 0.00 N ATOM 447 CA LEU A 30 1.552 -3.569 -4.059 1.00 0.00 C ATOM 448 C LEU A 30 2.659 -2.906 -3.216 1.00 0.00 C ATOM 449 O LEU A 30 2.417 -1.878 -2.580 1.00 0.00 O ATOM 450 CB LEU A 30 0.661 -4.541 -3.253 1.00 0.00 C ATOM 451 CG LEU A 30 1.348 -5.753 -2.590 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.970 -5.449 -1.221 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.313 -6.863 -2.390 1.00 0.00 C ATOM 0 H LEU A 30 1.966 -5.255 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 30 0.918 -2.743 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.160 -3.969 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.115 -4.917 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 30 2.157 -6.045 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.432 -6.352 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.726 -4.672 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.194 -5.107 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.789 -7.724 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.491 -6.500 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.098 -7.156 -3.356 1.00 0.00 H new ATOM 465 N MET A 31 3.883 -3.446 -3.240 1.00 0.00 N ATOM 466 CA MET A 31 5.035 -2.819 -2.583 1.00 0.00 C ATOM 467 C MET A 31 5.482 -1.568 -3.329 1.00 0.00 C ATOM 468 O MET A 31 5.707 -0.534 -2.702 1.00 0.00 O ATOM 469 CB MET A 31 6.223 -3.773 -2.464 1.00 0.00 C ATOM 470 CG MET A 31 5.967 -5.015 -1.614 1.00 0.00 C ATOM 471 SD MET A 31 7.339 -6.197 -1.709 1.00 0.00 S ATOM 472 CE MET A 31 6.572 -7.575 -0.829 1.00 0.00 C ATOM 0 H MET A 31 4.102 -4.323 -3.712 1.00 0.00 H new ATOM 0 HA MET A 31 4.702 -2.550 -1.580 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.518 -4.090 -3.464 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.067 -3.228 -2.041 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.815 -4.719 -0.576 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.048 -5.498 -1.946 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.242 -8.434 -0.844 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.378 -7.284 0.203 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.633 -7.839 -1.315 1.00 0.00 H new ATOM 482 N ALA A 32 5.570 -1.630 -4.661 1.00 0.00 N ATOM 483 CA ALA A 32 5.923 -0.482 -5.498 1.00 0.00 C ATOM 484 C ALA A 32 4.899 0.666 -5.369 1.00 0.00 C ATOM 485 O ALA A 32 5.282 1.832 -5.273 1.00 0.00 O ATOM 486 CB ALA A 32 6.058 -0.963 -6.948 1.00 0.00 C ATOM 0 H ALA A 32 5.397 -2.484 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 32 6.874 -0.070 -5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.321 -0.121 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.838 -1.722 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.111 -1.389 -7.280 1.00 0.00 H new ATOM 492 N LEU A 33 3.603 0.335 -5.289 1.00 0.00 N ATOM 493 CA LEU A 33 2.507 1.272 -5.012 1.00 0.00 C ATOM 494 C LEU A 33 2.700 1.976 -3.656 1.00 0.00 C ATOM 495 O LEU A 33 2.750 3.204 -3.600 1.00 0.00 O ATOM 496 CB LEU A 33 1.177 0.491 -5.124 1.00 0.00 C ATOM 497 CG LEU A 33 -0.156 1.251 -4.948 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.465 1.671 -3.508 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.256 2.470 -5.861 1.00 0.00 C ATOM 0 H LEU A 33 3.279 -0.623 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 33 2.493 2.081 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.157 0.015 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.201 -0.307 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.909 0.517 -5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.419 2.198 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.520 0.786 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.324 2.329 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.211 2.969 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.557 3.161 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.185 2.152 -6.901 1.00 0.00 H new ATOM 511 N ALA A 34 2.873 1.211 -2.571 1.00 0.00 N ATOM 512 CA ALA A 34 3.069 1.755 -1.228 1.00 0.00 C ATOM 513 C ALA A 34 4.372 2.570 -1.086 1.00 0.00 C ATOM 514 O ALA A 34 4.362 3.633 -0.467 1.00 0.00 O ATOM 515 CB ALA A 34 3.004 0.593 -0.233 1.00 0.00 C ATOM 0 H ALA A 34 2.880 0.192 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 34 2.275 2.472 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.148 0.972 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.031 0.107 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.787 -0.129 -0.465 1.00 0.00 H new ATOM 521 N LEU A 35 5.474 2.133 -1.713 1.00 0.00 N ATOM 522 CA LEU A 35 6.753 2.850 -1.754 1.00 0.00 C ATOM 523 C LEU A 35 6.607 4.203 -2.466 1.00 0.00 C ATOM 524 O LEU A 35 7.018 5.231 -1.924 1.00 0.00 O ATOM 525 CB LEU A 35 7.799 1.920 -2.419 1.00 0.00 C ATOM 526 CG LEU A 35 9.292 2.299 -2.350 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.663 3.621 -3.021 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.798 2.323 -0.906 1.00 0.00 C ATOM 0 H LEU A 35 5.499 1.247 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 35 7.093 3.092 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.690 0.931 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.532 1.826 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 35 9.782 1.511 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.734 3.794 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.404 3.577 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.116 4.436 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.854 2.594 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.229 3.056 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.672 1.337 -0.460 1.00 0.00 H new ATOM 540 N LYS A 36 5.948 4.230 -3.634 1.00 0.00 N ATOM 541 CA LYS A 36 5.648 5.450 -4.399 1.00 0.00 C ATOM 542 C LYS A 36 4.828 6.450 -3.576 1.00 0.00 C ATOM 543 O LYS A 36 5.197 7.624 -3.489 1.00 0.00 O ATOM 544 CB LYS A 36 4.950 5.059 -5.711 1.00 0.00 C ATOM 545 CG LYS A 36 4.638 6.272 -6.602 1.00 0.00 C ATOM 546 CD LYS A 36 4.132 5.871 -7.997 1.00 0.00 C ATOM 547 CE LYS A 36 2.814 5.086 -7.948 1.00 0.00 C ATOM 548 NZ LYS A 36 2.342 4.747 -9.316 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.600 3.383 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 36 6.580 5.962 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.583 4.363 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.023 4.534 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.888 6.893 -6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.536 6.881 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.993 6.768 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.891 5.267 -8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.953 4.172 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.055 5.675 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.450 4.217 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.188 5.622 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.058 4.165 -9.796 1.00 0.00 H new ATOM 562 N LEU A 37 3.763 5.991 -2.916 1.00 0.00 N ATOM 563 CA LEU A 37 2.957 6.808 -2.000 1.00 0.00 C ATOM 564 C LEU A 37 3.772 7.340 -0.811 1.00 0.00 C ATOM 565 O LEU A 37 3.577 8.487 -0.401 1.00 0.00 O ATOM 566 CB LEU A 37 1.751 5.992 -1.500 1.00 0.00 C ATOM 567 CG LEU A 37 0.440 6.252 -2.258 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.502 5.885 -3.738 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.682 5.459 -1.599 1.00 0.00 C ATOM 0 H LEU A 37 3.430 5.031 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 37 2.609 7.678 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.992 4.932 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.594 6.212 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 37 0.258 7.326 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.460 6.096 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.280 6.472 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.730 4.824 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.616 5.639 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.444 4.396 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.790 5.775 -0.561 1.00 0.00 H new ATOM 581 N LYS A 38 4.699 6.539 -0.265 1.00 0.00 N ATOM 582 CA LYS A 38 5.550 6.927 0.869 1.00 0.00 C ATOM 583 C LYS A 38 6.550 8.021 0.497 1.00 0.00 C ATOM 584 O LYS A 38 6.607 9.041 1.181 1.00 0.00 O ATOM 585 CB LYS A 38 6.235 5.688 1.483 1.00 0.00 C ATOM 586 CG LYS A 38 6.916 5.968 2.836 1.00 0.00 C ATOM 587 CD LYS A 38 5.921 6.420 3.927 1.00 0.00 C ATOM 588 CE LYS A 38 6.616 6.645 5.268 1.00 0.00 C ATOM 589 NZ LYS A 38 5.646 7.128 6.285 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.881 5.594 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 38 4.906 7.362 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.493 4.901 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.979 5.310 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.431 5.068 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.676 6.738 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.430 7.341 3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.142 5.667 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.074 5.716 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.420 7.372 5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.162 7.545 7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.027 7.847 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.070 6.330 6.622 1.00 0.00 H new ATOM 603 N GLN A 39 7.288 7.875 -0.603 1.00 0.00 N ATOM 604 CA GLN A 39 8.240 8.906 -1.042 1.00 0.00 C ATOM 605 C GLN A 39 7.536 10.227 -1.427 1.00 0.00 C ATOM 606 O GLN A 39 8.086 11.301 -1.189 1.00 0.00 O ATOM 607 CB GLN A 39 9.172 8.373 -2.149 1.00 0.00 C ATOM 608 CG GLN A 39 8.494 8.074 -3.493 1.00 0.00 C ATOM 609 CD GLN A 39 9.502 7.762 -4.599 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.673 8.515 -5.551 1.00 0.00 O ATOM 611 NE2 GLN A 39 10.223 6.666 -4.515 1.00 0.00 N ATOM 0 H GLN A 39 7.248 7.055 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 39 8.875 9.151 -0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.965 9.103 -2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.649 7.461 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.816 7.229 -3.374 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.888 8.930 -3.789 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.093 6.029 -3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.913 6.453 -5.236 1.00 0.00 H new ATOM 620 N GLN A 40 6.298 10.169 -1.930 1.00 0.00 N ATOM 621 CA GLN A 40 5.473 11.354 -2.219 1.00 0.00 C ATOM 622 C GLN A 40 5.131 12.171 -0.959 1.00 0.00 C ATOM 623 O GLN A 40 5.320 13.388 -0.951 1.00 0.00 O ATOM 624 CB GLN A 40 4.195 10.914 -2.945 1.00 0.00 C ATOM 625 CG GLN A 40 4.433 10.626 -4.436 1.00 0.00 C ATOM 626 CD GLN A 40 3.294 9.856 -5.111 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.330 9.407 -4.503 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.355 9.677 -6.412 1.00 0.00 N ATOM 0 H GLN A 40 5.833 9.289 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 40 6.057 12.016 -2.858 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.798 10.020 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.438 11.692 -2.845 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.579 11.571 -4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.356 10.056 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.148 10.042 -6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.610 9.174 -6.893 1.00 0.00 H new ATOM 637 N GLN A 41 4.680 11.531 0.130 1.00 0.00 N ATOM 638 CA GLN A 41 4.421 12.244 1.395 1.00 0.00 C ATOM 639 C GLN A 41 5.714 12.713 2.098 1.00 0.00 C ATOM 640 O GLN A 41 5.687 13.734 2.789 1.00 0.00 O ATOM 641 CB GLN A 41 3.519 11.422 2.327 1.00 0.00 C ATOM 642 CG GLN A 41 4.124 10.110 2.852 1.00 0.00 C ATOM 643 CD GLN A 41 3.377 9.540 4.048 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.975 9.098 5.023 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.061 9.527 4.040 1.00 0.00 N ATOM 0 H GLN A 41 4.488 10.530 0.163 1.00 0.00 H new ATOM 0 HA GLN A 41 3.880 13.154 1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.248 12.043 3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.596 11.189 1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.127 9.373 2.049 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.164 10.283 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.552 9.892 3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.550 9.152 4.839 1.00 0.00 H new ATOM 901 N LYS B 115 14.337 2.202 1.670 1.00 0.00 N ATOM 902 CA LYS B 115 13.474 1.626 0.623 1.00 0.00 C ATOM 903 C LYS B 115 13.497 0.098 0.628 1.00 0.00 C ATOM 904 O LYS B 115 12.445 -0.531 0.518 1.00 0.00 O ATOM 905 CB LYS B 115 13.926 2.166 -0.745 1.00 0.00 C ATOM 906 CG LYS B 115 13.792 3.697 -0.845 1.00 0.00 C ATOM 907 CD LYS B 115 14.406 4.224 -2.139 1.00 0.00 C ATOM 908 CE LYS B 115 14.203 5.741 -2.219 1.00 0.00 C ATOM 909 NZ LYS B 115 15.028 6.345 -3.295 1.00 0.00 N1+ ATOM 0 HA LYS B 115 12.445 1.923 0.825 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.964 1.883 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.332 1.700 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.739 3.976 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.282 4.164 0.009 1.00 0.00 H new ATOM 0 HD2 LYS B 115 15.469 3.986 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.943 3.738 -2.998 1.00 0.00 H new ATOM 0 HE2 LYS B 115 13.151 5.959 -2.400 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.462 6.195 -1.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.866 7.372 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 16.034 6.157 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 14.763 5.929 -4.211 1.00 0.00 H new ATOM 923 N ASP B 116 14.674 -0.510 0.809 1.00 0.00 N ATOM 924 CA ASP B 116 14.835 -1.965 0.896 1.00 0.00 C ATOM 925 C ASP B 116 14.180 -2.530 2.170 1.00 0.00 C ATOM 926 O ASP B 116 13.497 -3.557 2.118 1.00 0.00 O ATOM 927 CB ASP B 116 16.326 -2.345 0.858 1.00 0.00 C ATOM 928 CG ASP B 116 17.064 -2.011 -0.456 1.00 0.00 C ATOM 929 OD1 ASP B 116 18.320 -2.072 -0.462 1.00 0.00 O ATOM 930 OD2 ASP B 116 16.422 -1.734 -1.502 1.00 0.00 O1- ATOM 0 H ASP B 116 15.552 0.001 0.900 1.00 0.00 H new ATOM 0 HA ASP B 116 14.332 -2.404 0.034 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.833 -1.837 1.678 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.415 -3.416 1.042 1.00 0.00 H new ATOM 935 N ASP B 117 14.326 -1.829 3.300 1.00 0.00 N ATOM 936 CA ASP B 117 13.642 -2.162 4.555 1.00 0.00 C ATOM 937 C ASP B 117 12.114 -1.982 4.448 1.00 0.00 C ATOM 938 O ASP B 117 11.354 -2.781 4.998 1.00 0.00 O ATOM 939 CB ASP B 117 14.223 -1.304 5.689 1.00 0.00 C ATOM 940 CG ASP B 117 13.703 -1.697 7.084 1.00 0.00 C ATOM 941 OD1 ASP B 117 13.432 -0.787 7.905 1.00 0.00 O ATOM 942 OD2 ASP B 117 13.609 -2.911 7.381 1.00 0.00 O1- ATOM 0 H ASP B 117 14.927 -1.008 3.370 1.00 0.00 H new ATOM 0 HA ASP B 117 13.813 -3.216 4.773 1.00 0.00 H new ATOM 0 HB2 ASP B 117 15.310 -1.389 5.678 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.983 -0.257 5.502 1.00 0.00 H new ATOM 947 N TYR B 118 11.652 -0.981 3.690 1.00 0.00 N ATOM 948 CA TYR B 118 10.224 -0.752 3.448 1.00 0.00 C ATOM 949 C TYR B 118 9.603 -1.880 2.612 1.00 0.00 C ATOM 950 O TYR B 118 8.623 -2.488 3.039 1.00 0.00 O ATOM 951 CB TYR B 118 9.996 0.637 2.825 1.00 0.00 C ATOM 952 CG TYR B 118 8.630 1.227 3.129 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.329 1.615 4.452 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.674 1.427 2.112 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.069 2.155 4.773 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.419 1.985 2.425 1.00 0.00 C ATOM 957 CZ TYR B 118 6.106 2.332 3.757 1.00 0.00 C ATOM 958 OH TYR B 118 4.881 2.834 4.063 1.00 0.00 O ATOM 0 H TYR B 118 12.260 -0.306 3.226 1.00 0.00 H new ATOM 0 HA TYR B 118 9.708 -0.766 4.408 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.765 1.319 3.188 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.118 0.565 1.744 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.073 1.497 5.226 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.904 1.152 1.093 1.00 0.00 H new ATOM 0 HE1 TYR B 118 6.841 2.432 5.792 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.693 2.148 1.642 1.00 0.00 H new ATOM 0 HH TYR B 118 4.957 3.437 4.832 1.00 0.00 H new ATOM 968 N LEU B 119 10.224 -2.269 1.490 1.00 0.00 N ATOM 969 CA LEU B 119 9.804 -3.440 0.699 1.00 0.00 C ATOM 970 C LEU B 119 9.827 -4.741 1.525 1.00 0.00 C ATOM 971 O LEU B 119 8.925 -5.570 1.396 1.00 0.00 O ATOM 972 CB LEU B 119 10.695 -3.554 -0.554 1.00 0.00 C ATOM 973 CG LEU B 119 10.076 -2.929 -1.817 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.716 -1.448 -1.671 1.00 0.00 C ATOM 975 CD2 LEU B 119 11.026 -3.074 -3.003 1.00 0.00 C ATOM 0 H LEU B 119 11.032 -1.782 1.103 1.00 0.00 H new ATOM 0 HA LEU B 119 8.768 -3.294 0.392 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.652 -3.072 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.903 -4.607 -0.746 1.00 0.00 H new ATOM 0 HG LEU B 119 9.148 -3.477 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.286 -1.084 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.991 -1.327 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.615 -0.876 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.574 -2.627 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.965 -2.568 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.218 -4.131 -3.188 1.00 0.00 H new ATOM 987 N SER B 120 10.820 -4.908 2.407 1.00 0.00 N ATOM 988 CA SER B 120 10.917 -6.061 3.307 1.00 0.00 C ATOM 989 C SER B 120 9.759 -6.127 4.322 1.00 0.00 C ATOM 990 O SER B 120 9.078 -7.154 4.405 1.00 0.00 O ATOM 991 CB SER B 120 12.270 -6.055 4.024 1.00 0.00 C ATOM 992 OG SER B 120 12.410 -7.201 4.857 1.00 0.00 O ATOM 0 H SER B 120 11.584 -4.241 2.516 1.00 0.00 H new ATOM 0 HA SER B 120 10.838 -6.957 2.692 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.075 -6.034 3.289 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.363 -5.150 4.625 1.00 0.00 H new ATOM 0 HG SER B 120 13.282 -7.176 5.303 1.00 0.00 H new ATOM 998 N ARG B 121 9.472 -5.034 5.051 1.00 0.00 N ATOM 999 CA ARG B 121 8.408 -5.006 6.078 1.00 0.00 C ATOM 1000 C ARG B 121 6.992 -5.059 5.486 1.00 0.00 C ATOM 1001 O ARG B 121 6.128 -5.720 6.057 1.00 0.00 O ATOM 1002 CB ARG B 121 8.611 -3.824 7.040 1.00 0.00 C ATOM 1003 CG ARG B 121 8.196 -2.447 6.497 1.00 0.00 C ATOM 1004 CD ARG B 121 8.673 -1.291 7.387 1.00 0.00 C ATOM 1005 NE ARG B 121 8.116 -1.354 8.751 1.00 0.00 N ATOM 1006 CZ ARG B 121 6.922 -0.961 9.160 1.00 0.00 C ATOM 1007 NH1 ARG B 121 6.041 -0.437 8.353 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 6.593 -1.083 10.412 1.00 0.00 N ATOM 0 H ARG B 121 9.967 -4.148 4.948 1.00 0.00 H new ATOM 0 HA ARG B 121 8.499 -5.923 6.660 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.047 -4.020 7.952 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.664 -3.782 7.319 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.602 -2.319 5.494 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.110 -2.408 6.409 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.761 -1.306 7.443 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.391 -0.344 6.927 1.00 0.00 H new ATOM 0 HE ARG B 121 8.727 -1.749 9.466 1.00 0.00 H new ATOM 0 HH11 ARG B 121 6.262 -0.317 7.365 1.00 0.00 H new ATOM 0 HH12 ARG B 121 5.131 -0.147 8.711 1.00 0.00 H new ATOM 0 HH21 ARG B 121 7.256 -1.481 11.077 1.00 0.00 H new ATOM 0 HH22 ARG B 121 5.672 -0.780 10.729 1.00 0.00 H new ATOM 1022 N LEU B 122 6.780 -4.459 4.314 1.00 0.00 N ATOM 1023 CA LEU B 122 5.503 -4.508 3.573 1.00 0.00 C ATOM 1024 C LEU B 122 5.077 -5.944 3.215 1.00 0.00 C ATOM 1025 O LEU B 122 3.878 -6.227 3.165 1.00 0.00 O ATOM 1026 CB LEU B 122 5.609 -3.628 2.315 1.00 0.00 C ATOM 1027 CG LEU B 122 5.135 -2.166 2.474 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.510 -1.458 3.784 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.708 -1.353 1.316 1.00 0.00 C ATOM 0 H LEU B 122 7.499 -3.914 3.838 1.00 0.00 H new ATOM 0 HA LEU B 122 4.722 -4.118 4.225 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.649 -3.619 1.988 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.028 -4.094 1.519 1.00 0.00 H new ATOM 0 HG LEU B 122 4.046 -2.222 2.484 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.120 -0.440 3.772 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.082 -2.001 4.627 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.595 -1.430 3.885 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.387 -0.315 1.406 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.797 -1.400 1.342 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.350 -1.763 0.372 1.00 0.00 H new ATOM 1041 N SER B 123 6.028 -6.862 3.023 1.00 0.00 N ATOM 1042 CA SER B 123 5.763 -8.290 2.785 1.00 0.00 C ATOM 1043 C SER B 123 5.093 -9.013 3.967 1.00 0.00 C ATOM 1044 O SER B 123 4.393 -10.014 3.764 1.00 0.00 O ATOM 1045 CB SER B 123 7.085 -8.992 2.443 1.00 0.00 C ATOM 1046 OG SER B 123 6.853 -10.296 1.936 1.00 0.00 O ATOM 0 H SER B 123 7.022 -6.633 3.028 1.00 0.00 H new ATOM 0 HA SER B 123 5.055 -8.341 1.958 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.633 -8.404 1.707 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.711 -9.050 3.334 1.00 0.00 H new ATOM 0 HG SER B 123 7.710 -10.722 1.724 1.00 0.00 H new ATOM 1052 N ARG B 124 5.290 -8.522 5.202 1.00 0.00 N ATOM 1053 CA ARG B 124 4.832 -9.154 6.452 1.00 0.00 C ATOM 1054 C ARG B 124 3.356 -8.891 6.780 1.00 0.00 C ATOM 1055 O ARG B 124 2.758 -9.662 7.536 1.00 0.00 O ATOM 1056 CB ARG B 124 5.721 -8.680 7.620 1.00 0.00 C ATOM 1057 CG ARG B 124 7.239 -8.820 7.397 1.00 0.00 C ATOM 1058 CD ARG B 124 7.713 -10.231 7.034 1.00 0.00 C ATOM 1059 NE ARG B 124 7.466 -11.203 8.116 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.714 -12.501 8.077 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.231 -13.084 7.030 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.454 -13.251 9.112 1.00 0.00 N ATOM 0 H ARG B 124 5.788 -7.647 5.364 1.00 0.00 H new ATOM 0 HA ARG B 124 4.921 -10.231 6.306 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.496 -7.633 7.823 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.449 -9.243 8.513 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.539 -8.137 6.602 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.755 -8.502 8.303 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.203 -10.561 6.129 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.779 -10.206 6.808 1.00 0.00 H new ATOM 0 HE ARG B 124 7.064 -10.838 8.979 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.459 -12.535 6.201 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.407 -14.089 7.041 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.058 -12.836 9.956 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.647 -14.252 9.078 1.00 0.00 H new ATOM 1076 N LEU B 125 2.767 -7.825 6.233 1.00 0.00 N ATOM 1077 CA LEU B 125 1.352 -7.459 6.427 1.00 0.00 C ATOM 1078 C LEU B 125 0.412 -8.422 5.677 1.00 0.00 C ATOM 1079 O LEU B 125 0.715 -8.879 4.569 1.00 0.00 O ATOM 1080 CB LEU B 125 1.098 -5.996 6.005 1.00 0.00 C ATOM 1081 CG LEU B 125 1.632 -4.875 6.921 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.224 -5.034 8.390 1.00 0.00 C ATOM 1083 CD2 LEU B 125 3.151 -4.722 6.882 1.00 0.00 C ATOM 0 H LEU B 125 3.268 -7.174 5.628 1.00 0.00 H new ATOM 0 HA LEU B 125 1.131 -7.548 7.491 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.532 -5.854 5.015 1.00 0.00 H new ATOM 0 HB3 LEU B 125 0.021 -5.860 5.903 1.00 0.00 H new ATOM 0 HG LEU B 125 1.164 -3.982 6.506 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.635 -4.210 8.973 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.137 -5.027 8.468 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.609 -5.978 8.774 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.453 -3.916 7.550 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.619 -5.653 7.202 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.467 -4.488 5.865 1.00 0.00 H new ATOM 1095 N SER B 126 -0.748 -8.704 6.275 1.00 0.00 N ATOM 1096 CA SER B 126 -1.853 -9.433 5.635 1.00 0.00 C ATOM 1097 C SER B 126 -2.460 -8.648 4.457 1.00 0.00 C ATOM 1098 O SER B 126 -2.285 -7.428 4.352 1.00 0.00 O ATOM 1099 CB SER B 126 -2.923 -9.773 6.688 1.00 0.00 C ATOM 1100 OG SER B 126 -3.962 -10.572 6.146 1.00 0.00 O ATOM 0 H SER B 126 -0.952 -8.428 7.236 1.00 0.00 H new ATOM 0 HA SER B 126 -1.455 -10.358 5.217 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.458 -10.299 7.522 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.345 -8.851 7.088 1.00 0.00 H new ATOM 0 HG SER B 126 -4.621 -10.769 6.844 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.208 -9.328 3.577 1.00 0.00 N ATOM 1107 CA LYS B 127 -3.790 -8.755 2.347 1.00 0.00 C ATOM 1108 C LYS B 127 -4.689 -7.545 2.610 1.00 0.00 C ATOM 1109 O LYS B 127 -4.667 -6.607 1.823 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.537 -9.862 1.578 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.069 -9.448 0.192 1.00 0.00 C ATOM 1112 CD LYS B 127 -3.970 -9.024 -0.795 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.573 -8.807 -2.187 1.00 0.00 C ATOM 1114 NZ LYS B 127 -3.543 -8.434 -3.194 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.433 -10.315 3.700 1.00 0.00 H new ATOM 0 HA LYS B 127 -2.972 -8.374 1.736 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -3.867 -10.713 1.454 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.376 -10.203 2.185 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -5.627 -10.281 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.772 -8.624 0.315 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.493 -8.107 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -3.195 -9.789 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.079 -9.717 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -5.329 -8.023 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -4.007 -8.022 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -2.891 -7.737 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -3.011 -9.282 -3.476 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.438 -7.527 3.717 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.236 -6.365 4.133 1.00 0.00 C ATOM 1130 C ASN B 128 -5.383 -5.256 4.795 1.00 0.00 C ATOM 1131 O ASN B 128 -5.632 -4.064 4.598 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.338 -6.873 5.083 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.295 -5.771 5.515 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.974 -5.153 4.708 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.377 -5.482 6.796 1.00 0.00 N ATOM 0 H ASN B 128 -5.509 -8.321 4.354 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.675 -5.897 3.252 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.901 -7.665 4.589 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.876 -7.314 5.966 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -9.006 -4.744 7.113 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.812 -5.996 7.472 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.370 -5.631 5.583 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.520 -4.696 6.335 1.00 0.00 C ATOM 1144 C GLN B 129 -2.637 -3.834 5.417 1.00 0.00 C ATOM 1145 O GLN B 129 -2.504 -2.629 5.639 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.644 -5.473 7.327 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.442 -6.172 8.438 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.575 -7.098 9.299 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.528 -7.591 8.890 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.975 -7.389 10.519 1.00 0.00 N ATOM 0 H GLN B 129 -4.112 -6.608 5.720 1.00 0.00 H new ATOM 0 HA GLN B 129 -4.181 -4.017 6.874 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.067 -6.220 6.781 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.929 -4.787 7.782 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.905 -5.419 9.075 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.250 -6.751 7.990 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.842 -6.991 10.880 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.418 -8.013 11.103 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.067 -4.420 4.352 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.331 -3.664 3.324 1.00 0.00 C ATOM 1161 C LEU B 130 -2.218 -2.643 2.583 1.00 0.00 C ATOM 1162 O LEU B 130 -1.720 -1.584 2.191 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.586 -4.638 2.388 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.457 -5.580 1.527 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -1.920 -4.968 0.197 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.675 -6.859 1.223 1.00 0.00 C ATOM 0 H LEU B 130 -2.102 -5.425 4.179 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.578 -3.050 3.819 1.00 0.00 H new ATOM 0 HB2 LEU B 130 0.044 -4.051 1.719 1.00 0.00 H new ATOM 0 HB3 LEU B 130 0.079 -5.251 2.996 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.353 -5.779 2.115 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.525 -5.694 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.514 -4.075 0.394 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.050 -4.700 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.288 -7.525 0.616 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.236 -6.608 0.680 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.415 -7.357 2.157 1.00 0.00 H new ATOM 1178 N MET B 131 -3.526 -2.898 2.437 1.00 0.00 N ATOM 1179 CA MET B 131 -4.459 -1.916 1.866 1.00 0.00 C ATOM 1180 C MET B 131 -4.718 -0.766 2.840 1.00 0.00 C ATOM 1181 O MET B 131 -4.690 0.388 2.431 1.00 0.00 O ATOM 1182 CB MET B 131 -5.810 -2.535 1.472 1.00 0.00 C ATOM 1183 CG MET B 131 -5.732 -3.668 0.454 1.00 0.00 C ATOM 1184 SD MET B 131 -7.374 -4.259 -0.043 1.00 0.00 S ATOM 1185 CE MET B 131 -7.130 -6.051 -0.059 1.00 0.00 C ATOM 0 H MET B 131 -3.963 -3.779 2.707 1.00 0.00 H new ATOM 0 HA MET B 131 -3.974 -1.542 0.964 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.296 -2.910 2.373 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.448 -1.749 1.069 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.189 -3.326 -0.427 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.163 -4.496 0.877 1.00 0.00 H new ATOM 0 HE1 MET B 131 -7.962 -6.527 -0.578 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.199 -6.287 -0.574 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.082 -6.421 0.965 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.922 -1.064 4.128 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.104 -0.053 5.169 1.00 0.00 C ATOM 1197 C ALA B 132 -3.879 0.875 5.315 1.00 0.00 C ATOM 1198 O ALA B 132 -4.042 2.086 5.490 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.432 -0.762 6.485 1.00 0.00 C ATOM 0 H ALA B 132 -4.965 -2.021 4.477 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.931 0.597 4.884 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.571 -0.021 7.273 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.347 -1.342 6.367 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.612 -1.428 6.754 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.655 0.342 5.184 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.415 1.123 5.147 1.00 0.00 C ATOM 1207 C LEU B 133 -1.366 2.075 3.936 1.00 0.00 C ATOM 1208 O LEU B 133 -1.146 3.272 4.106 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.224 0.146 5.161 1.00 0.00 C ATOM 1210 CG LEU B 133 1.162 0.815 5.066 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.442 1.725 6.262 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.250 -0.258 5.014 1.00 0.00 C ATOM 0 H LEU B 133 -2.499 -0.662 5.099 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.367 1.766 6.026 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.266 -0.443 6.077 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.334 -0.550 4.330 1.00 0.00 H new ATOM 0 HG LEU B 133 1.167 1.420 4.159 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.429 2.175 6.154 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.688 2.511 6.306 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.410 1.139 7.181 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.228 0.218 4.947 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.204 -0.867 5.917 1.00 0.00 H new ATOM 0 HD23 LEU B 133 2.095 -0.892 4.141 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.619 1.562 2.726 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.633 2.376 1.510 1.00 0.00 C ATOM 1226 C ALA B 134 -2.749 3.446 1.534 1.00 0.00 C ATOM 1227 O ALA B 134 -2.524 4.585 1.126 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.753 1.438 0.308 1.00 0.00 C ATOM 0 H ALA B 134 -1.819 0.575 2.565 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.702 2.938 1.439 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.765 2.024 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.903 0.756 0.292 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.677 0.864 0.385 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.926 3.125 2.079 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.045 4.059 2.284 1.00 0.00 C ATOM 1236 C LEU B 135 -4.674 5.184 3.267 1.00 0.00 C ATOM 1237 O LEU B 135 -4.910 6.362 2.980 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.256 3.220 2.745 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.629 3.903 2.873 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.739 4.935 3.998 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -8.069 4.551 1.563 1.00 0.00 C ATOM 0 H LEU B 135 -4.136 2.180 2.401 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.296 4.578 1.359 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.365 2.389 2.048 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.009 2.792 3.716 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.297 3.081 3.132 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.743 5.359 4.006 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.542 4.452 4.955 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.011 5.730 3.835 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -9.043 5.021 1.699 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.340 5.305 1.267 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.139 3.790 0.786 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.028 4.839 4.389 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.517 5.801 5.383 1.00 0.00 C ATOM 1255 C LYS B 136 -2.511 6.776 4.763 1.00 0.00 C ATOM 1256 O LYS B 136 -2.639 7.990 4.940 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.945 5.021 6.578 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.430 5.950 7.692 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.076 5.198 8.986 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.935 4.192 8.775 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.548 3.550 10.057 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.841 3.868 4.638 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.333 6.427 5.744 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.716 4.365 6.983 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.131 4.382 6.236 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.548 6.482 7.335 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.189 6.701 7.911 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.789 5.915 9.755 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.958 4.673 9.353 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.245 3.429 8.061 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -0.073 4.700 8.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.225 2.875 9.888 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.230 4.278 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.367 3.047 10.454 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.571 6.272 3.958 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.642 7.095 3.173 1.00 0.00 C ATOM 1277 C LEU B 137 -1.374 7.978 2.142 1.00 0.00 C ATOM 1278 O LEU B 137 -1.027 9.152 1.996 1.00 0.00 O ATOM 1279 CB LEU B 137 0.361 6.165 2.460 1.00 0.00 C ATOM 1280 CG LEU B 137 1.708 5.921 3.163 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.599 5.484 4.625 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.460 4.830 2.402 1.00 0.00 C ATOM 0 H LEU B 137 -1.431 5.270 3.831 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.121 7.769 3.853 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.121 5.200 2.308 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.564 6.579 1.472 1.00 0.00 H new ATOM 0 HG LEU B 137 2.226 6.880 3.162 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.598 5.336 5.036 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.081 6.254 5.197 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.040 4.550 4.685 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.418 4.643 2.886 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.869 3.914 2.401 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.629 5.154 1.375 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.397 7.447 1.452 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.176 8.165 0.425 1.00 0.00 C ATOM 1296 C LYS B 138 -3.929 9.370 0.994 1.00 0.00 C ATOM 1297 O LYS B 138 -3.858 10.449 0.415 1.00 0.00 O ATOM 1298 CB LYS B 138 -4.132 7.179 -0.282 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.928 7.772 -1.456 1.00 0.00 C ATOM 1300 CD LYS B 138 -4.029 8.329 -2.567 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.778 8.513 -3.891 1.00 0.00 C ATOM 1302 NZ LYS B 138 -5.909 9.471 -3.790 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.713 6.488 1.594 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.477 8.570 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.551 6.333 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.835 6.788 0.453 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.578 7.003 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.574 8.568 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -3.617 9.287 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -3.187 7.655 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.080 8.863 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -5.156 7.547 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -6.377 9.554 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -6.593 9.128 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -5.550 10.403 -3.499 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.604 9.221 2.137 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.289 10.355 2.781 1.00 0.00 C ATOM 1318 C GLN B 139 -4.296 11.402 3.329 1.00 0.00 C ATOM 1319 O GLN B 139 -4.565 12.597 3.257 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.296 9.876 3.841 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.692 9.189 5.070 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.741 8.898 6.139 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -6.861 9.602 7.132 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.540 7.863 5.981 1.00 0.00 N ATOM 0 H GLN B 139 -4.693 8.336 2.635 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.865 10.867 2.010 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.878 10.734 4.177 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.993 9.185 3.367 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.216 8.256 4.766 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.911 9.822 5.492 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.449 7.269 5.157 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -8.250 7.655 6.683 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.118 10.975 3.801 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.050 11.848 4.316 1.00 0.00 C ATOM 1335 C GLN B 140 -1.404 12.738 3.240 1.00 0.00 C ATOM 1336 O GLN B 140 -1.131 13.912 3.492 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.968 10.976 4.974 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.348 10.520 6.394 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.442 9.412 6.942 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.476 8.915 6.302 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.669 8.980 8.163 1.00 0.00 N ATOM 0 H GLN B 140 -2.873 9.986 3.837 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.512 12.523 5.037 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.788 10.099 4.352 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.033 11.535 5.015 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.307 11.377 7.066 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.379 10.167 6.390 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.429 9.381 8.713 1.00 0.00 H new ATOM 0 HE22 GLN B 140 -0.085 8.244 8.560 1.00 0.00 H new