USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 365 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 291 CYS SG : rot 180:sc= -1.27! USER MOD Set 1.2: A 296 ASN : amide:sc= -5.46! C(o=-6.7!,f=-8.3!) USER MOD Set 2.1: A 269 GLN : amide:sc= -11! C(o=-23!,f=-28!) USER MOD Set 2.2: A 286 ASN :FLIP amide:sc= -7.12! C(o=-32!,f=-23!) USER MOD Set 2.3: A 288 GLN :FLIP amide:sc= -5.43! C(o=-28!,f=-23!) USER MOD Single : A 267 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 HIS : no HD1:sc= -0.205 X(o=-0.2,f=-0.019) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= -2.98! C(o=-3!,f=-2.9!) USER MOD Single : A 279 ASN : amide:sc= -3.39! C(o=-3.4!,f=-5!) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 163:sc= -3.21! (180deg=-3.94!) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 289 SER OG : rot -41:sc= 0.0148 USER MOD Single : A 290 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 SER OG : rot -2:sc= 1.15 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 298 LYS NZ :NH3+ -123:sc= -1.66 (180deg=-4.22!) USER MOD Single : A 299 HIS : no HD1:sc= -16.7! C(o=-17!,f=-26!) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN :FLIP amide:sc= -6.59! C(o=-15!,f=-6.6!) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 -4.886 -14.073 -38.981 1.00 0.00 N ATOM 2 CA LYS A 267 -5.442 -14.294 -37.651 1.00 0.00 C ATOM 3 C LYS A 267 -5.682 -12.963 -36.946 1.00 0.00 C ATOM 4 O LYS A 267 -6.248 -12.037 -37.526 1.00 0.00 O ATOM 5 CB LYS A 267 -4.484 -15.153 -36.823 1.00 0.00 C ATOM 6 CG LYS A 267 -4.318 -16.522 -37.489 1.00 0.00 C ATOM 7 CD LYS A 267 -3.450 -17.417 -36.602 1.00 0.00 C ATOM 8 CE LYS A 267 -3.189 -18.744 -37.316 1.00 0.00 C ATOM 9 NZ LYS A 267 -2.624 -19.726 -36.347 1.00 0.00 N ATOM 0 HA LYS A 267 -6.395 -14.813 -37.753 1.00 0.00 H new ATOM 0 HB2 LYS A 267 -3.516 -14.658 -36.738 1.00 0.00 H new ATOM 0 HB3 LYS A 267 -4.870 -15.274 -35.811 1.00 0.00 H new ATOM 0 HG2 LYS A 267 -5.293 -16.983 -37.646 1.00 0.00 H new ATOM 0 HG3 LYS A 267 -3.858 -16.408 -38.470 1.00 0.00 H new ATOM 0 HD2 LYS A 267 -2.506 -16.920 -36.379 1.00 0.00 H new ATOM 0 HD3 LYS A 267 -3.949 -17.596 -35.649 1.00 0.00 H new ATOM 0 HE2 LYS A 267 -4.116 -19.129 -37.742 1.00 0.00 H new ATOM 0 HE3 LYS A 267 -2.496 -18.594 -38.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 -2.446 -20.629 -36.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 -1.731 -19.358 -35.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 -3.300 -19.877 -35.571 1.00 0.00 H new ATOM 23 N HIS A 268 -5.246 -12.872 -35.691 1.00 0.00 N ATOM 24 CA HIS A 268 -5.417 -11.646 -34.914 1.00 0.00 C ATOM 25 C HIS A 268 -4.123 -11.282 -34.194 1.00 0.00 C ATOM 26 O HIS A 268 -3.131 -12.004 -34.281 1.00 0.00 O ATOM 27 CB HIS A 268 -6.554 -11.817 -33.895 1.00 0.00 C ATOM 28 CG HIS A 268 -7.856 -11.387 -34.516 1.00 0.00 C ATOM 29 ND1 HIS A 268 -8.996 -12.172 -34.470 1.00 0.00 N ATOM 30 CD2 HIS A 268 -8.208 -10.251 -35.202 1.00 0.00 C ATOM 31 CE1 HIS A 268 -9.973 -11.504 -35.112 1.00 0.00 C ATOM 32 NE2 HIS A 268 -9.545 -10.327 -35.577 1.00 0.00 N ATOM 0 H HIS A 268 -4.775 -13.627 -35.193 1.00 0.00 H new ATOM 0 HA HIS A 268 -5.673 -10.838 -35.600 1.00 0.00 H new ATOM 0 HB2 HIS A 268 -6.617 -12.857 -33.576 1.00 0.00 H new ATOM 0 HB3 HIS A 268 -6.350 -11.223 -33.004 1.00 0.00 H new ATOM 0 HD2 HIS A 268 -7.547 -9.424 -35.418 1.00 0.00 H new ATOM 0 HE1 HIS A 268 -10.980 -11.875 -35.236 1.00 0.00 H new ATOM 0 HE2 HIS A 268 -10.083 -9.633 -36.096 1.00 0.00 H new ATOM 41 N GLN A 269 -4.154 -10.147 -33.497 1.00 0.00 N ATOM 42 CA GLN A 269 -2.993 -9.651 -32.761 1.00 0.00 C ATOM 43 C GLN A 269 -2.193 -8.686 -33.628 1.00 0.00 C ATOM 44 O GLN A 269 -1.097 -9.008 -34.087 1.00 0.00 O ATOM 45 CB GLN A 269 -2.092 -10.806 -32.307 1.00 0.00 C ATOM 46 CG GLN A 269 -1.265 -10.356 -31.101 1.00 0.00 C ATOM 47 CD GLN A 269 -0.385 -11.500 -30.612 1.00 0.00 C ATOM 48 OE1 GLN A 269 -0.846 -12.635 -30.499 1.00 0.00 O ATOM 49 NE2 GLN A 269 0.863 -11.265 -30.310 1.00 0.00 N ATOM 0 H GLN A 269 -4.978 -9.550 -33.427 1.00 0.00 H new ATOM 0 HA GLN A 269 -3.355 -9.128 -31.876 1.00 0.00 H new ATOM 0 HB2 GLN A 269 -2.697 -11.674 -32.044 1.00 0.00 H new ATOM 0 HB3 GLN A 269 -1.434 -11.111 -33.121 1.00 0.00 H new ATOM 0 HG2 GLN A 269 -0.646 -9.502 -31.374 1.00 0.00 H new ATOM 0 HG3 GLN A 269 -1.926 -10.027 -30.299 1.00 0.00 H new ATOM 0 HE21 GLN A 269 1.242 -10.323 -30.405 1.00 0.00 H new ATOM 0 HE22 GLN A 269 1.459 -12.024 -29.979 1.00 0.00 H new ATOM 58 N PRO A 270 -2.728 -7.517 -33.859 1.00 0.00 N ATOM 59 CA PRO A 270 -2.060 -6.485 -34.688 1.00 0.00 C ATOM 60 C PRO A 270 -0.632 -6.201 -34.234 1.00 0.00 C ATOM 61 O PRO A 270 -0.373 -6.027 -33.044 1.00 0.00 O ATOM 62 CB PRO A 270 -2.945 -5.254 -34.482 1.00 0.00 C ATOM 63 CG PRO A 270 -4.312 -5.778 -34.142 1.00 0.00 C ATOM 64 CD PRO A 270 -4.175 -7.274 -33.818 1.00 0.00 C ATOM 0 HA PRO A 270 -1.963 -6.794 -35.729 1.00 0.00 H new ATOM 0 HB2 PRO A 270 -2.558 -4.625 -33.680 1.00 0.00 H new ATOM 0 HB3 PRO A 270 -2.975 -4.640 -35.382 1.00 0.00 H new ATOM 0 HG2 PRO A 270 -4.727 -5.239 -33.290 1.00 0.00 H new ATOM 0 HG3 PRO A 270 -4.997 -5.629 -34.977 1.00 0.00 H new ATOM 0 HD2 PRO A 270 -4.591 -7.510 -32.839 1.00 0.00 H new ATOM 0 HD3 PRO A 270 -4.704 -7.890 -34.546 1.00 0.00 H new ATOM 72 N GLY A 271 0.286 -6.134 -35.192 1.00 0.00 N ATOM 73 CA GLY A 271 1.678 -5.845 -34.873 1.00 0.00 C ATOM 74 C GLY A 271 1.782 -4.486 -34.192 1.00 0.00 C ATOM 75 O GLY A 271 2.643 -4.266 -33.340 1.00 0.00 O ATOM 0 H GLY A 271 0.094 -6.274 -36.184 1.00 0.00 H new ATOM 0 HA2 GLY A 271 2.079 -6.620 -34.220 1.00 0.00 H new ATOM 0 HA3 GLY A 271 2.278 -5.852 -35.783 1.00 0.00 H new ATOM 79 N GLY A 272 0.888 -3.581 -34.578 1.00 0.00 N ATOM 80 CA GLY A 272 0.865 -2.239 -34.010 1.00 0.00 C ATOM 81 C GLY A 272 -0.411 -1.508 -34.414 1.00 0.00 C ATOM 82 O GLY A 272 -0.465 -0.278 -34.400 1.00 0.00 O ATOM 0 H GLY A 272 0.170 -3.753 -35.282 1.00 0.00 H new ATOM 0 HA2 GLY A 272 0.929 -2.297 -32.923 1.00 0.00 H new ATOM 0 HA3 GLY A 272 1.735 -1.679 -34.351 1.00 0.00 H new ATOM 86 N GLY A 273 -1.436 -2.275 -34.779 1.00 0.00 N ATOM 87 CA GLY A 273 -2.709 -1.691 -35.190 1.00 0.00 C ATOM 88 C GLY A 273 -2.630 -1.170 -36.620 1.00 0.00 C ATOM 89 O GLY A 273 -3.223 -0.144 -36.952 1.00 0.00 O ATOM 0 H GLY A 273 -1.410 -3.294 -34.798 1.00 0.00 H new ATOM 0 HA2 GLY A 273 -3.498 -2.439 -35.114 1.00 0.00 H new ATOM 0 HA3 GLY A 273 -2.975 -0.877 -34.516 1.00 0.00 H new ATOM 93 N LYS A 274 -1.884 -1.879 -37.461 1.00 0.00 N ATOM 94 CA LYS A 274 -1.723 -1.474 -38.853 1.00 0.00 C ATOM 95 C LYS A 274 -3.068 -1.406 -39.571 1.00 0.00 C ATOM 96 O LYS A 274 -3.302 -0.502 -40.373 1.00 0.00 O ATOM 97 CB LYS A 274 -0.805 -2.460 -39.578 1.00 0.00 C ATOM 98 CG LYS A 274 0.597 -2.396 -38.967 1.00 0.00 C ATOM 99 CD LYS A 274 1.547 -3.286 -39.769 1.00 0.00 C ATOM 100 CE LYS A 274 2.917 -3.313 -39.089 1.00 0.00 C ATOM 101 NZ LYS A 274 3.692 -4.488 -39.579 1.00 0.00 N ATOM 0 H LYS A 274 -1.385 -2.731 -37.206 1.00 0.00 H new ATOM 0 HA LYS A 274 -1.279 -0.479 -38.864 1.00 0.00 H new ATOM 0 HB2 LYS A 274 -1.203 -3.471 -39.496 1.00 0.00 H new ATOM 0 HB3 LYS A 274 -0.762 -2.219 -40.640 1.00 0.00 H new ATOM 0 HG2 LYS A 274 0.958 -1.368 -38.968 1.00 0.00 H new ATOM 0 HG3 LYS A 274 0.567 -2.723 -37.928 1.00 0.00 H new ATOM 0 HD2 LYS A 274 1.144 -4.296 -39.839 1.00 0.00 H new ATOM 0 HD3 LYS A 274 1.642 -2.910 -40.788 1.00 0.00 H new ATOM 0 HE2 LYS A 274 3.459 -2.392 -39.303 1.00 0.00 H new ATOM 0 HE3 LYS A 274 2.797 -3.369 -38.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 4.624 -4.507 -39.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 3.176 -5.363 -39.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 3.818 -4.416 -40.609 1.00 0.00 H new ATOM 115 N VAL A 275 -3.951 -2.361 -39.287 1.00 0.00 N ATOM 116 CA VAL A 275 -5.264 -2.376 -39.930 1.00 0.00 C ATOM 117 C VAL A 275 -6.282 -3.151 -39.098 1.00 0.00 C ATOM 118 O VAL A 275 -7.431 -2.730 -38.958 1.00 0.00 O ATOM 119 CB VAL A 275 -5.157 -3.009 -41.319 1.00 0.00 C ATOM 120 CG1 VAL A 275 -6.558 -3.205 -41.899 1.00 0.00 C ATOM 121 CG2 VAL A 275 -4.349 -2.092 -42.240 1.00 0.00 C ATOM 0 H VAL A 275 -3.787 -3.122 -38.628 1.00 0.00 H new ATOM 0 HA VAL A 275 -5.605 -1.344 -40.017 1.00 0.00 H new ATOM 0 HB VAL A 275 -4.657 -3.974 -41.239 1.00 0.00 H new ATOM 0 HG11 VAL A 275 -6.482 -3.656 -42.888 1.00 0.00 H new ATOM 0 HG12 VAL A 275 -7.134 -3.860 -41.245 1.00 0.00 H new ATOM 0 HG13 VAL A 275 -7.058 -2.239 -41.978 1.00 0.00 H new ATOM 0 HG21 VAL A 275 -4.274 -2.544 -43.229 1.00 0.00 H new ATOM 0 HG22 VAL A 275 -4.847 -1.126 -42.320 1.00 0.00 H new ATOM 0 HG23 VAL A 275 -3.350 -1.952 -41.828 1.00 0.00 H new ATOM 131 N GLN A 276 -5.859 -4.286 -38.553 1.00 0.00 N ATOM 132 CA GLN A 276 -6.752 -5.112 -37.745 1.00 0.00 C ATOM 133 C GLN A 276 -7.152 -4.379 -36.469 1.00 0.00 C ATOM 134 O GLN A 276 -6.526 -3.392 -36.083 1.00 0.00 O ATOM 135 CB GLN A 276 -6.071 -6.440 -37.392 1.00 0.00 C ATOM 136 CG GLN A 276 -4.553 -6.278 -37.491 1.00 0.00 C ATOM 137 CD GLN A 276 -4.105 -6.443 -38.939 1.00 0.00 C ATOM 138 OE1 GLN A 276 -4.497 -7.400 -39.606 1.00 0.00 O ATOM 139 NE2 GLN A 276 -3.301 -5.561 -39.468 1.00 0.00 N ATOM 0 H GLN A 276 -4.913 -4.654 -38.654 1.00 0.00 H new ATOM 0 HA GLN A 276 -7.651 -5.316 -38.327 1.00 0.00 H new ATOM 0 HB2 GLN A 276 -6.350 -6.747 -36.384 1.00 0.00 H new ATOM 0 HB3 GLN A 276 -6.408 -7.225 -38.069 1.00 0.00 H new ATOM 0 HG2 GLN A 276 -4.259 -5.296 -37.120 1.00 0.00 H new ATOM 0 HG3 GLN A 276 -4.058 -7.018 -36.862 1.00 0.00 H new ATOM 0 HE21 GLN A 276 -2.977 -4.769 -38.913 1.00 0.00 H new ATOM 0 HE22 GLN A 276 -2.997 -5.664 -40.436 1.00 0.00 H new ATOM 148 N ILE A 277 -8.206 -4.867 -35.825 1.00 0.00 N ATOM 149 CA ILE A 277 -8.694 -4.250 -34.599 1.00 0.00 C ATOM 150 C ILE A 277 -7.748 -4.534 -33.433 1.00 0.00 C ATOM 151 O ILE A 277 -7.198 -5.628 -33.312 1.00 0.00 O ATOM 152 CB ILE A 277 -10.087 -4.781 -34.265 1.00 0.00 C ATOM 153 CG1 ILE A 277 -11.024 -4.530 -35.449 1.00 0.00 C ATOM 154 CG2 ILE A 277 -10.623 -4.054 -33.031 1.00 0.00 C ATOM 155 CD1 ILE A 277 -12.382 -5.177 -35.171 1.00 0.00 C ATOM 0 H ILE A 277 -8.736 -5.683 -36.130 1.00 0.00 H new ATOM 0 HA ILE A 277 -8.742 -3.173 -34.757 1.00 0.00 H new ATOM 0 HB ILE A 277 -10.032 -5.851 -34.064 1.00 0.00 H new ATOM 0 HG12 ILE A 277 -11.146 -3.459 -35.609 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -10.593 -4.942 -36.361 1.00 0.00 H new ATOM 0 HG21 ILE A 277 -11.617 -4.431 -32.790 1.00 0.00 H new ATOM 0 HG22 ILE A 277 -9.955 -4.228 -32.188 1.00 0.00 H new ATOM 0 HG23 ILE A 277 -10.680 -2.985 -33.235 1.00 0.00 H new ATOM 0 HD11 ILE A 277 -13.050 -4.998 -36.014 1.00 0.00 H new ATOM 0 HD12 ILE A 277 -12.252 -6.250 -35.032 1.00 0.00 H new ATOM 0 HD13 ILE A 277 -12.813 -4.744 -34.269 1.00 0.00 H new ATOM 167 N ILE A 278 -7.569 -3.529 -32.584 1.00 0.00 N ATOM 168 CA ILE A 278 -6.693 -3.646 -31.423 1.00 0.00 C ATOM 169 C ILE A 278 -7.196 -4.715 -30.457 1.00 0.00 C ATOM 170 O ILE A 278 -6.656 -4.880 -29.364 1.00 0.00 O ATOM 171 CB ILE A 278 -6.607 -2.297 -30.717 1.00 0.00 C ATOM 172 CG1 ILE A 278 -6.131 -1.239 -31.723 1.00 0.00 C ATOM 173 CG2 ILE A 278 -5.623 -2.385 -29.546 1.00 0.00 C ATOM 174 CD1 ILE A 278 -4.783 -1.646 -32.329 1.00 0.00 C ATOM 0 H ILE A 278 -8.021 -2.619 -32.678 1.00 0.00 H new ATOM 0 HA ILE A 278 -5.702 -3.946 -31.764 1.00 0.00 H new ATOM 0 HB ILE A 278 -7.588 -2.020 -30.330 1.00 0.00 H new ATOM 0 HG12 ILE A 278 -6.872 -1.121 -32.514 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -6.037 -0.273 -31.227 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -5.566 -1.418 -29.045 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -5.966 -3.140 -28.839 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -4.636 -2.659 -29.920 1.00 0.00 H new ATOM 0 HD11 ILE A 278 -4.459 -0.886 -33.040 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -4.041 -1.740 -31.536 1.00 0.00 H new ATOM 0 HD13 ILE A 278 -4.889 -2.602 -32.843 1.00 0.00 H new ATOM 186 N ASN A 279 -8.227 -5.443 -30.871 1.00 0.00 N ATOM 187 CA ASN A 279 -8.792 -6.501 -30.039 1.00 0.00 C ATOM 188 C ASN A 279 -7.760 -7.597 -29.764 1.00 0.00 C ATOM 189 O ASN A 279 -8.109 -8.683 -29.308 1.00 0.00 O ATOM 190 CB ASN A 279 -10.015 -7.115 -30.722 1.00 0.00 C ATOM 191 CG ASN A 279 -11.133 -6.084 -30.817 1.00 0.00 C ATOM 192 OD1 ASN A 279 -11.074 -5.041 -30.165 1.00 0.00 O ATOM 193 ND2 ASN A 279 -12.158 -6.315 -31.589 1.00 0.00 N ATOM 0 H ASN A 279 -8.687 -5.322 -31.773 1.00 0.00 H new ATOM 0 HA ASN A 279 -9.089 -6.055 -29.090 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -9.747 -7.466 -31.719 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -10.357 -7.984 -30.160 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -12.912 -5.631 -31.653 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -12.206 -7.179 -32.129 1.00 0.00 H new ATOM 200 N LYS A 280 -6.494 -7.312 -30.057 1.00 0.00 N ATOM 201 CA LYS A 280 -5.428 -8.288 -29.845 1.00 0.00 C ATOM 202 C LYS A 280 -5.623 -9.039 -28.530 1.00 0.00 C ATOM 203 O LYS A 280 -5.356 -10.237 -28.446 1.00 0.00 O ATOM 204 CB LYS A 280 -4.076 -7.568 -29.814 1.00 0.00 C ATOM 205 CG LYS A 280 -3.998 -6.679 -28.570 1.00 0.00 C ATOM 206 CD LYS A 280 -2.720 -5.842 -28.615 1.00 0.00 C ATOM 207 CE LYS A 280 -2.487 -5.206 -27.244 1.00 0.00 C ATOM 208 NZ LYS A 280 -1.172 -4.506 -27.236 1.00 0.00 N ATOM 0 H LYS A 280 -6.182 -6.419 -30.439 1.00 0.00 H new ATOM 0 HA LYS A 280 -5.456 -9.007 -30.664 1.00 0.00 H new ATOM 0 HB2 LYS A 280 -3.265 -8.296 -29.805 1.00 0.00 H new ATOM 0 HB3 LYS A 280 -3.953 -6.965 -30.713 1.00 0.00 H new ATOM 0 HG2 LYS A 280 -4.870 -6.027 -28.522 1.00 0.00 H new ATOM 0 HG3 LYS A 280 -4.010 -7.294 -27.670 1.00 0.00 H new ATOM 0 HD2 LYS A 280 -1.870 -6.468 -28.888 1.00 0.00 H new ATOM 0 HD3 LYS A 280 -2.804 -5.069 -29.378 1.00 0.00 H new ATOM 0 HE2 LYS A 280 -3.287 -4.501 -27.018 1.00 0.00 H new ATOM 0 HE3 LYS A 280 -2.508 -5.971 -26.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 -1.014 -4.074 -26.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 -0.414 -5.190 -27.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 -1.169 -3.765 -27.966 1.00 0.00 H new ATOM 222 N LYS A 281 -6.087 -8.329 -27.507 1.00 0.00 N ATOM 223 CA LYS A 281 -6.308 -8.944 -26.202 1.00 0.00 C ATOM 224 C LYS A 281 -7.223 -10.155 -26.333 1.00 0.00 C ATOM 225 O LYS A 281 -7.123 -11.114 -25.567 1.00 0.00 O ATOM 226 CB LYS A 281 -6.944 -7.926 -25.250 1.00 0.00 C ATOM 227 CG LYS A 281 -5.980 -6.745 -25.015 1.00 0.00 C ATOM 228 CD LYS A 281 -6.421 -5.525 -25.838 1.00 0.00 C ATOM 229 CE LYS A 281 -7.819 -5.064 -25.397 1.00 0.00 C ATOM 230 NZ LYS A 281 -8.143 -5.641 -24.062 1.00 0.00 N ATOM 0 H LYS A 281 -6.316 -7.336 -27.554 1.00 0.00 H new ATOM 0 HA LYS A 281 -5.347 -9.268 -25.803 1.00 0.00 H new ATOM 0 HB2 LYS A 281 -7.882 -7.562 -25.669 1.00 0.00 H new ATOM 0 HB3 LYS A 281 -7.183 -8.405 -24.300 1.00 0.00 H new ATOM 0 HG2 LYS A 281 -5.959 -6.489 -23.956 1.00 0.00 H new ATOM 0 HG3 LYS A 281 -4.966 -7.033 -25.294 1.00 0.00 H new ATOM 0 HD2 LYS A 281 -5.705 -4.713 -25.710 1.00 0.00 H new ATOM 0 HD3 LYS A 281 -6.431 -5.777 -26.898 1.00 0.00 H new ATOM 0 HE2 LYS A 281 -7.855 -3.976 -25.351 1.00 0.00 H new ATOM 0 HE3 LYS A 281 -8.563 -5.378 -26.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 -8.936 -5.116 -23.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 -8.408 -6.641 -24.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 -7.311 -5.569 -23.442 1.00 0.00 H new ATOM 244 N LEU A 282 -8.121 -10.094 -27.306 1.00 0.00 N ATOM 245 CA LEU A 282 -9.070 -11.174 -27.540 1.00 0.00 C ATOM 246 C LEU A 282 -8.355 -12.503 -27.785 1.00 0.00 C ATOM 247 O LEU A 282 -8.826 -13.554 -27.350 1.00 0.00 O ATOM 248 CB LEU A 282 -9.945 -10.833 -28.751 1.00 0.00 C ATOM 249 CG LEU A 282 -11.044 -11.888 -28.913 1.00 0.00 C ATOM 250 CD1 LEU A 282 -12.057 -11.766 -27.770 1.00 0.00 C ATOM 251 CD2 LEU A 282 -11.759 -11.669 -30.250 1.00 0.00 C ATOM 0 H LEU A 282 -8.213 -9.306 -27.948 1.00 0.00 H new ATOM 0 HA LEU A 282 -9.689 -11.281 -26.649 1.00 0.00 H new ATOM 0 HB2 LEU A 282 -10.391 -9.847 -28.622 1.00 0.00 H new ATOM 0 HB3 LEU A 282 -9.333 -10.791 -29.652 1.00 0.00 H new ATOM 0 HG LEU A 282 -10.596 -12.882 -28.890 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -12.835 -12.519 -27.892 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -11.550 -11.919 -26.817 1.00 0.00 H new ATOM 0 HD13 LEU A 282 -12.507 -10.773 -27.787 1.00 0.00 H new ATOM 0 HD21 LEU A 282 -12.542 -12.417 -30.371 1.00 0.00 H new ATOM 0 HD22 LEU A 282 -12.203 -10.673 -30.267 1.00 0.00 H new ATOM 0 HD23 LEU A 282 -11.042 -11.760 -31.066 1.00 0.00 H new ATOM 263 N ASP A 283 -7.226 -12.463 -28.492 1.00 0.00 N ATOM 264 CA ASP A 283 -6.490 -13.692 -28.780 1.00 0.00 C ATOM 265 C ASP A 283 -4.988 -13.439 -28.906 1.00 0.00 C ATOM 266 O ASP A 283 -4.306 -14.101 -29.689 1.00 0.00 O ATOM 267 CB ASP A 283 -7.013 -14.314 -30.076 1.00 0.00 C ATOM 268 CG ASP A 283 -6.505 -15.744 -30.210 1.00 0.00 C ATOM 269 OD1 ASP A 283 -5.968 -16.254 -29.241 1.00 0.00 O ATOM 270 OD2 ASP A 283 -6.661 -16.310 -31.280 1.00 0.00 O ATOM 0 H ASP A 283 -6.808 -11.612 -28.869 1.00 0.00 H new ATOM 0 HA ASP A 283 -6.646 -14.376 -27.945 1.00 0.00 H new ATOM 0 HB2 ASP A 283 -8.103 -14.305 -30.079 1.00 0.00 H new ATOM 0 HB3 ASP A 283 -6.687 -13.722 -30.931 1.00 0.00 H new ATOM 275 N LEU A 284 -4.475 -12.487 -28.135 1.00 0.00 N ATOM 276 CA LEU A 284 -3.050 -12.172 -28.176 1.00 0.00 C ATOM 277 C LEU A 284 -2.206 -13.402 -27.848 1.00 0.00 C ATOM 278 O LEU A 284 -1.130 -13.595 -28.411 1.00 0.00 O ATOM 279 CB LEU A 284 -2.734 -11.056 -27.171 1.00 0.00 C ATOM 280 CG LEU A 284 -1.229 -10.712 -27.215 1.00 0.00 C ATOM 281 CD1 LEU A 284 -1.038 -9.201 -27.056 1.00 0.00 C ATOM 282 CD2 LEU A 284 -0.488 -11.429 -26.076 1.00 0.00 C ATOM 0 H LEU A 284 -5.017 -11.924 -27.480 1.00 0.00 H new ATOM 0 HA LEU A 284 -2.805 -11.842 -29.185 1.00 0.00 H new ATOM 0 HB2 LEU A 284 -3.324 -10.170 -27.403 1.00 0.00 H new ATOM 0 HB3 LEU A 284 -3.014 -11.371 -26.166 1.00 0.00 H new ATOM 0 HG LEU A 284 -0.826 -11.038 -28.174 1.00 0.00 H new ATOM 0 HD11 LEU A 284 0.025 -8.963 -27.088 1.00 0.00 H new ATOM 0 HD12 LEU A 284 -1.550 -8.682 -27.866 1.00 0.00 H new ATOM 0 HD13 LEU A 284 -1.453 -8.880 -26.101 1.00 0.00 H new ATOM 0 HD21 LEU A 284 0.572 -11.179 -26.117 1.00 0.00 H new ATOM 0 HD22 LEU A 284 -0.899 -11.111 -25.118 1.00 0.00 H new ATOM 0 HD23 LEU A 284 -0.611 -12.507 -26.184 1.00 0.00 H new ATOM 294 N SER A 285 -2.695 -14.214 -26.921 1.00 0.00 N ATOM 295 CA SER A 285 -1.977 -15.412 -26.496 1.00 0.00 C ATOM 296 C SER A 285 -1.684 -16.351 -27.665 1.00 0.00 C ATOM 297 O SER A 285 -0.766 -17.164 -27.597 1.00 0.00 O ATOM 298 CB SER A 285 -2.798 -16.154 -25.442 1.00 0.00 C ATOM 299 OG SER A 285 -3.974 -16.676 -26.044 1.00 0.00 O ATOM 0 H SER A 285 -3.586 -14.067 -26.447 1.00 0.00 H new ATOM 0 HA SER A 285 -1.022 -15.093 -26.078 1.00 0.00 H new ATOM 0 HB2 SER A 285 -2.209 -16.962 -25.008 1.00 0.00 H new ATOM 0 HB3 SER A 285 -3.061 -15.479 -24.628 1.00 0.00 H new ATOM 0 HG SER A 285 -4.502 -17.154 -25.371 1.00 0.00 H new ATOM 305 N ASN A 286 -2.472 -16.263 -28.726 1.00 0.00 N ATOM 306 CA ASN A 286 -2.272 -17.145 -29.872 1.00 0.00 C ATOM 307 C ASN A 286 -0.831 -17.095 -30.387 1.00 0.00 C ATOM 308 O ASN A 286 -0.294 -18.110 -30.830 1.00 0.00 O ATOM 309 CB ASN A 286 -3.229 -16.761 -31.002 1.00 0.00 C ATOM 310 CG ASN A 286 -2.947 -15.337 -31.473 1.00 0.00 C ATOM 311 OD1 ASN A 286 -2.234 -14.541 -30.726 1.00 0.00 O flip ATOM 312 ND2 ASN A 286 -3.394 -14.939 -32.549 1.00 0.00 N flip ATOM 0 H ASN A 286 -3.244 -15.603 -28.820 1.00 0.00 H new ATOM 0 HA ASN A 286 -2.477 -18.163 -29.540 1.00 0.00 H new ATOM 0 HB2 ASN A 286 -3.117 -17.456 -31.834 1.00 0.00 H new ATOM 0 HB3 ASN A 286 -4.260 -16.840 -30.657 1.00 0.00 H new ATOM 0 HD21 ASN A 286 -3.952 -15.563 -33.132 1.00 0.00 H new ATOM 0 HD22 ASN A 286 -3.207 -13.985 -32.857 1.00 0.00 H new ATOM 319 N VAL A 287 -0.212 -15.917 -30.349 1.00 0.00 N ATOM 320 CA VAL A 287 1.157 -15.777 -30.843 1.00 0.00 C ATOM 321 C VAL A 287 2.193 -16.353 -29.871 1.00 0.00 C ATOM 322 O VAL A 287 3.026 -17.169 -30.262 1.00 0.00 O ATOM 323 CB VAL A 287 1.463 -14.302 -31.108 1.00 0.00 C ATOM 324 CG1 VAL A 287 2.962 -14.124 -31.366 1.00 0.00 C ATOM 325 CG2 VAL A 287 0.683 -13.840 -32.341 1.00 0.00 C ATOM 0 H VAL A 287 -0.628 -15.058 -29.988 1.00 0.00 H new ATOM 0 HA VAL A 287 1.227 -16.348 -31.769 1.00 0.00 H new ATOM 0 HB VAL A 287 1.171 -13.710 -30.240 1.00 0.00 H new ATOM 0 HG11 VAL A 287 3.176 -13.072 -31.554 1.00 0.00 H new ATOM 0 HG12 VAL A 287 3.524 -14.458 -30.494 1.00 0.00 H new ATOM 0 HG13 VAL A 287 3.255 -14.715 -32.234 1.00 0.00 H new ATOM 0 HG21 VAL A 287 0.897 -12.789 -32.534 1.00 0.00 H new ATOM 0 HG22 VAL A 287 0.980 -14.436 -33.204 1.00 0.00 H new ATOM 0 HG23 VAL A 287 -0.385 -13.966 -32.164 1.00 0.00 H new ATOM 335 N GLN A 288 2.155 -15.912 -28.613 1.00 0.00 N ATOM 336 CA GLN A 288 3.122 -16.390 -27.622 1.00 0.00 C ATOM 337 C GLN A 288 2.548 -17.520 -26.773 1.00 0.00 C ATOM 338 O GLN A 288 3.267 -18.440 -26.385 1.00 0.00 O ATOM 339 CB GLN A 288 3.554 -15.239 -26.707 1.00 0.00 C ATOM 340 CG GLN A 288 2.354 -14.336 -26.401 1.00 0.00 C ATOM 341 CD GLN A 288 2.257 -13.223 -27.439 1.00 0.00 C ATOM 342 OE1 GLN A 288 1.099 -12.934 -27.964 1.00 0.00 O flip ATOM 343 NE2 GLN A 288 3.263 -12.601 -27.782 1.00 0.00 N flip ATOM 0 H GLN A 288 1.478 -15.236 -28.259 1.00 0.00 H new ATOM 0 HA GLN A 288 3.984 -16.775 -28.167 1.00 0.00 H new ATOM 0 HB2 GLN A 288 3.967 -15.636 -25.780 1.00 0.00 H new ATOM 0 HB3 GLN A 288 4.343 -14.659 -27.185 1.00 0.00 H new ATOM 0 HG2 GLN A 288 1.437 -14.925 -26.401 1.00 0.00 H new ATOM 0 HG3 GLN A 288 2.457 -13.906 -25.405 1.00 0.00 H new ATOM 0 HE21 GLN A 288 4.168 -12.828 -27.370 1.00 0.00 H new ATOM 0 HE22 GLN A 288 3.191 -11.859 -28.478 1.00 0.00 H new ATOM 352 N SER A 289 1.257 -17.440 -26.475 1.00 0.00 N ATOM 353 CA SER A 289 0.614 -18.459 -25.656 1.00 0.00 C ATOM 354 C SER A 289 1.156 -18.406 -24.233 1.00 0.00 C ATOM 355 O SER A 289 0.642 -19.072 -23.335 1.00 0.00 O ATOM 356 CB SER A 289 0.866 -19.841 -26.254 1.00 0.00 C ATOM 357 OG SER A 289 -0.134 -20.742 -25.797 1.00 0.00 O ATOM 0 H SER A 289 0.641 -16.689 -26.784 1.00 0.00 H new ATOM 0 HA SER A 289 -0.459 -18.268 -25.634 1.00 0.00 H new ATOM 0 HB2 SER A 289 0.852 -19.787 -27.343 1.00 0.00 H new ATOM 0 HB3 SER A 289 1.854 -20.200 -25.965 1.00 0.00 H new ATOM 0 HG SER A 289 -0.311 -20.580 -24.847 1.00 0.00 H new ATOM 363 N LYS A 290 2.194 -17.597 -24.036 1.00 0.00 N ATOM 364 CA LYS A 290 2.806 -17.442 -22.719 1.00 0.00 C ATOM 365 C LYS A 290 2.695 -15.991 -22.265 1.00 0.00 C ATOM 366 O LYS A 290 2.991 -15.070 -23.027 1.00 0.00 O ATOM 367 CB LYS A 290 4.280 -17.852 -22.779 1.00 0.00 C ATOM 368 CG LYS A 290 4.881 -17.871 -21.369 1.00 0.00 C ATOM 369 CD LYS A 290 4.504 -19.175 -20.658 1.00 0.00 C ATOM 370 CE LYS A 290 5.300 -19.296 -19.358 1.00 0.00 C ATOM 371 NZ LYS A 290 5.232 -20.700 -18.864 1.00 0.00 N ATOM 0 H LYS A 290 2.629 -17.039 -24.771 1.00 0.00 H new ATOM 0 HA LYS A 290 2.285 -18.082 -22.007 1.00 0.00 H new ATOM 0 HB2 LYS A 290 4.373 -18.838 -23.235 1.00 0.00 H new ATOM 0 HB3 LYS A 290 4.834 -17.156 -23.409 1.00 0.00 H new ATOM 0 HG2 LYS A 290 5.966 -17.778 -21.425 1.00 0.00 H new ATOM 0 HG3 LYS A 290 4.517 -17.017 -20.798 1.00 0.00 H new ATOM 0 HD2 LYS A 290 3.435 -19.190 -20.445 1.00 0.00 H new ATOM 0 HD3 LYS A 290 4.712 -20.027 -21.305 1.00 0.00 H new ATOM 0 HE2 LYS A 290 6.338 -19.008 -19.526 1.00 0.00 H new ATOM 0 HE3 LYS A 290 4.898 -18.615 -18.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 5.773 -20.783 -17.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 4.240 -20.959 -18.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 5.635 -21.339 -19.578 1.00 0.00 H new ATOM 385 N CYS A 291 2.259 -15.789 -21.024 1.00 0.00 N ATOM 386 CA CYS A 291 2.105 -14.437 -20.487 1.00 0.00 C ATOM 387 C CYS A 291 2.829 -14.289 -19.154 1.00 0.00 C ATOM 388 O CYS A 291 2.814 -15.195 -18.322 1.00 0.00 O ATOM 389 CB CYS A 291 0.620 -14.126 -20.293 1.00 0.00 C ATOM 390 SG CYS A 291 0.435 -12.432 -19.681 1.00 0.00 S ATOM 0 H CYS A 291 2.008 -16.535 -20.376 1.00 0.00 H new ATOM 0 HA CYS A 291 2.543 -13.737 -21.199 1.00 0.00 H new ATOM 0 HB2 CYS A 291 0.086 -14.244 -21.236 1.00 0.00 H new ATOM 0 HB3 CYS A 291 0.179 -14.830 -19.587 1.00 0.00 H new ATOM 0 HG CYS A 291 -0.827 -12.165 -19.518 1.00 0.00 H new ATOM 396 N GLY A 292 3.452 -13.131 -18.955 1.00 0.00 N ATOM 397 CA GLY A 292 4.166 -12.861 -17.714 1.00 0.00 C ATOM 398 C GLY A 292 5.635 -13.260 -17.810 1.00 0.00 C ATOM 399 O GLY A 292 6.338 -13.305 -16.800 1.00 0.00 O ATOM 0 H GLY A 292 3.476 -12.370 -19.633 1.00 0.00 H new ATOM 0 HA2 GLY A 292 4.092 -11.800 -17.475 1.00 0.00 H new ATOM 0 HA3 GLY A 292 3.694 -13.406 -16.896 1.00 0.00 H new ATOM 403 N SER A 293 6.100 -13.554 -19.021 1.00 0.00 N ATOM 404 CA SER A 293 7.492 -13.949 -19.206 1.00 0.00 C ATOM 405 C SER A 293 7.883 -13.927 -20.680 1.00 0.00 C ATOM 406 O SER A 293 8.986 -14.336 -21.039 1.00 0.00 O ATOM 407 CB SER A 293 7.711 -15.354 -18.646 1.00 0.00 C ATOM 408 OG SER A 293 9.005 -15.810 -19.015 1.00 0.00 O ATOM 0 H SER A 293 5.544 -13.527 -19.876 1.00 0.00 H new ATOM 0 HA SER A 293 8.118 -13.234 -18.672 1.00 0.00 H new ATOM 0 HB2 SER A 293 7.612 -15.345 -17.561 1.00 0.00 H new ATOM 0 HB3 SER A 293 6.950 -16.034 -19.030 1.00 0.00 H new ATOM 0 HG SER A 293 9.446 -15.131 -19.566 1.00 0.00 H new ATOM 414 N LYS A 294 6.983 -13.445 -21.534 1.00 0.00 N ATOM 415 CA LYS A 294 7.267 -13.378 -22.962 1.00 0.00 C ATOM 416 C LYS A 294 6.358 -12.357 -23.619 1.00 0.00 C ATOM 417 O LYS A 294 5.140 -12.419 -23.466 1.00 0.00 O ATOM 418 CB LYS A 294 7.056 -14.744 -23.626 1.00 0.00 C ATOM 419 CG LYS A 294 8.066 -15.757 -23.081 1.00 0.00 C ATOM 420 CD LYS A 294 8.027 -17.022 -23.939 1.00 0.00 C ATOM 421 CE LYS A 294 8.923 -18.091 -23.312 1.00 0.00 C ATOM 422 NZ LYS A 294 9.138 -19.195 -24.290 1.00 0.00 N ATOM 0 H LYS A 294 6.062 -13.099 -21.265 1.00 0.00 H new ATOM 0 HA LYS A 294 8.309 -13.083 -23.089 1.00 0.00 H new ATOM 0 HB2 LYS A 294 6.041 -15.095 -23.439 1.00 0.00 H new ATOM 0 HB3 LYS A 294 7.168 -14.653 -24.706 1.00 0.00 H new ATOM 0 HG2 LYS A 294 9.068 -15.329 -23.090 1.00 0.00 H new ATOM 0 HG3 LYS A 294 7.832 -16.000 -22.044 1.00 0.00 H new ATOM 0 HD2 LYS A 294 7.004 -17.390 -24.017 1.00 0.00 H new ATOM 0 HD3 LYS A 294 8.363 -16.798 -24.951 1.00 0.00 H new ATOM 0 HE2 LYS A 294 9.879 -17.655 -23.023 1.00 0.00 H new ATOM 0 HE3 LYS A 294 8.462 -18.480 -22.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 9.747 -19.922 -23.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 8.222 -19.616 -24.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 9.595 -18.818 -25.145 1.00 0.00 H new ATOM 436 N ASP A 295 6.952 -11.419 -24.344 1.00 0.00 N ATOM 437 CA ASP A 295 6.177 -10.383 -25.011 1.00 0.00 C ATOM 438 C ASP A 295 5.383 -9.587 -23.982 1.00 0.00 C ATOM 439 O ASP A 295 5.690 -8.426 -23.720 1.00 0.00 O ATOM 440 CB ASP A 295 5.219 -11.012 -26.026 1.00 0.00 C ATOM 441 CG ASP A 295 4.515 -9.919 -26.823 1.00 0.00 C ATOM 442 OD1 ASP A 295 5.100 -9.443 -27.782 1.00 0.00 O ATOM 443 OD2 ASP A 295 3.402 -9.574 -26.463 1.00 0.00 O ATOM 0 H ASP A 295 7.960 -11.354 -24.484 1.00 0.00 H new ATOM 0 HA ASP A 295 6.861 -9.715 -25.535 1.00 0.00 H new ATOM 0 HB2 ASP A 295 5.769 -11.668 -26.700 1.00 0.00 H new ATOM 0 HB3 ASP A 295 4.483 -11.629 -25.510 1.00 0.00 H new ATOM 448 N ASN A 296 4.372 -10.225 -23.395 1.00 0.00 N ATOM 449 CA ASN A 296 3.541 -9.577 -22.388 1.00 0.00 C ATOM 450 C ASN A 296 4.409 -8.904 -21.328 1.00 0.00 C ATOM 451 O ASN A 296 4.004 -7.908 -20.726 1.00 0.00 O ATOM 452 CB ASN A 296 2.629 -10.610 -21.726 1.00 0.00 C ATOM 453 CG ASN A 296 1.646 -11.163 -22.754 1.00 0.00 C ATOM 454 OD1 ASN A 296 1.463 -10.574 -23.819 1.00 0.00 O ATOM 455 ND2 ASN A 296 0.999 -12.265 -22.496 1.00 0.00 N ATOM 0 H ASN A 296 4.110 -11.189 -23.601 1.00 0.00 H new ATOM 0 HA ASN A 296 2.933 -8.816 -22.877 1.00 0.00 H new ATOM 0 HB2 ASN A 296 3.226 -11.420 -21.307 1.00 0.00 H new ATOM 0 HB3 ASN A 296 2.086 -10.153 -20.899 1.00 0.00 H new ATOM 0 HD21 ASN A 296 0.340 -12.641 -23.177 1.00 0.00 H new ATOM 0 HD22 ASN A 296 1.152 -12.752 -21.613 1.00 0.00 H new ATOM 462 N ILE A 297 5.604 -9.443 -21.108 1.00 0.00 N ATOM 463 CA ILE A 297 6.514 -8.869 -20.122 1.00 0.00 C ATOM 464 C ILE A 297 6.649 -7.369 -20.349 1.00 0.00 C ATOM 465 O ILE A 297 7.175 -6.645 -19.505 1.00 0.00 O ATOM 466 CB ILE A 297 7.888 -9.538 -20.215 1.00 0.00 C ATOM 467 CG1 ILE A 297 8.424 -9.450 -21.658 1.00 0.00 C ATOM 468 CG2 ILE A 297 7.756 -11.004 -19.800 1.00 0.00 C ATOM 469 CD1 ILE A 297 9.358 -8.242 -21.799 1.00 0.00 C ATOM 0 H ILE A 297 5.962 -10.266 -21.592 1.00 0.00 H new ATOM 0 HA ILE A 297 6.106 -9.043 -19.126 1.00 0.00 H new ATOM 0 HB ILE A 297 8.587 -9.028 -19.552 1.00 0.00 H new ATOM 0 HG12 ILE A 297 8.959 -10.365 -21.912 1.00 0.00 H new ATOM 0 HG13 ILE A 297 7.593 -9.361 -22.358 1.00 0.00 H new ATOM 0 HG21 ILE A 297 8.730 -11.489 -19.863 1.00 0.00 H new ATOM 0 HG22 ILE A 297 7.388 -11.060 -18.775 1.00 0.00 H new ATOM 0 HG23 ILE A 297 7.056 -11.509 -20.465 1.00 0.00 H new ATOM 0 HD11 ILE A 297 9.732 -8.188 -22.822 1.00 0.00 H new ATOM 0 HD12 ILE A 297 8.810 -7.329 -21.564 1.00 0.00 H new ATOM 0 HD13 ILE A 297 10.197 -8.349 -21.111 1.00 0.00 H new ATOM 481 N LYS A 298 6.151 -6.913 -21.492 1.00 0.00 N ATOM 482 CA LYS A 298 6.198 -5.497 -21.829 1.00 0.00 C ATOM 483 C LYS A 298 5.515 -4.682 -20.739 1.00 0.00 C ATOM 484 O LYS A 298 5.661 -3.462 -20.669 1.00 0.00 O ATOM 485 CB LYS A 298 5.479 -5.271 -23.157 1.00 0.00 C ATOM 486 CG LYS A 298 4.085 -5.898 -23.077 1.00 0.00 C ATOM 487 CD LYS A 298 3.314 -5.608 -24.367 1.00 0.00 C ATOM 488 CE LYS A 298 3.983 -6.324 -25.542 1.00 0.00 C ATOM 489 NZ LYS A 298 5.086 -5.475 -26.077 1.00 0.00 N ATOM 0 H LYS A 298 5.711 -7.502 -22.199 1.00 0.00 H new ATOM 0 HA LYS A 298 7.238 -5.181 -21.914 1.00 0.00 H new ATOM 0 HB2 LYS A 298 5.401 -4.204 -23.367 1.00 0.00 H new ATOM 0 HB3 LYS A 298 6.047 -5.716 -23.974 1.00 0.00 H new ATOM 0 HG2 LYS A 298 4.168 -6.974 -22.926 1.00 0.00 H new ATOM 0 HG3 LYS A 298 3.544 -5.496 -22.220 1.00 0.00 H new ATOM 0 HD2 LYS A 298 2.281 -5.941 -24.267 1.00 0.00 H new ATOM 0 HD3 LYS A 298 3.286 -4.534 -24.552 1.00 0.00 H new ATOM 0 HE2 LYS A 298 4.376 -7.288 -25.219 1.00 0.00 H new ATOM 0 HE3 LYS A 298 3.251 -6.524 -26.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 4.923 -5.291 -27.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 5.111 -4.573 -25.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 5.994 -5.968 -25.957 1.00 0.00 H new ATOM 503 N HIS A 299 4.768 -5.378 -19.893 1.00 0.00 N ATOM 504 CA HIS A 299 4.053 -4.739 -18.798 1.00 0.00 C ATOM 505 C HIS A 299 5.023 -4.194 -17.762 1.00 0.00 C ATOM 506 O HIS A 299 6.228 -4.107 -17.995 1.00 0.00 O ATOM 507 CB HIS A 299 3.145 -5.764 -18.112 1.00 0.00 C ATOM 508 CG HIS A 299 4.003 -6.739 -17.358 1.00 0.00 C ATOM 509 ND1 HIS A 299 4.880 -6.333 -16.370 1.00 0.00 N ATOM 510 CD2 HIS A 299 4.152 -8.095 -17.456 1.00 0.00 C ATOM 511 CE1 HIS A 299 5.518 -7.415 -15.921 1.00 0.00 C ATOM 512 NE2 HIS A 299 5.114 -8.525 -16.547 1.00 0.00 N ATOM 0 H HIS A 299 4.642 -6.389 -19.945 1.00 0.00 H new ATOM 0 HA HIS A 299 3.466 -3.918 -19.211 1.00 0.00 H new ATOM 0 HB2 HIS A 299 2.456 -5.263 -17.432 1.00 0.00 H new ATOM 0 HB3 HIS A 299 2.539 -6.287 -18.852 1.00 0.00 H new ATOM 0 HD2 HIS A 299 3.607 -8.734 -18.135 1.00 0.00 H new ATOM 0 HE1 HIS A 299 6.270 -7.397 -15.146 1.00 0.00 H new ATOM 0 HE2 HIS A 299 5.440 -9.479 -16.392 1.00 0.00 H new ATOM 521 N VAL A 300 4.468 -3.867 -16.602 1.00 0.00 N ATOM 522 CA VAL A 300 5.243 -3.364 -15.481 1.00 0.00 C ATOM 523 C VAL A 300 4.297 -2.938 -14.369 1.00 0.00 C ATOM 524 O VAL A 300 4.017 -1.753 -14.196 1.00 0.00 O ATOM 525 CB VAL A 300 6.124 -2.189 -15.901 1.00 0.00 C ATOM 526 CG1 VAL A 300 5.308 -1.184 -16.722 1.00 0.00 C ATOM 527 CG2 VAL A 300 6.688 -1.496 -14.652 1.00 0.00 C ATOM 0 H VAL A 300 3.468 -3.944 -16.414 1.00 0.00 H new ATOM 0 HA VAL A 300 5.898 -4.159 -15.124 1.00 0.00 H new ATOM 0 HB VAL A 300 6.945 -2.563 -16.513 1.00 0.00 H new ATOM 0 HG11 VAL A 300 5.946 -0.351 -17.016 1.00 0.00 H new ATOM 0 HG12 VAL A 300 4.918 -1.674 -17.614 1.00 0.00 H new ATOM 0 HG13 VAL A 300 4.479 -0.811 -16.121 1.00 0.00 H new ATOM 0 HG21 VAL A 300 7.316 -0.658 -14.953 1.00 0.00 H new ATOM 0 HG22 VAL A 300 5.866 -1.130 -14.036 1.00 0.00 H new ATOM 0 HG23 VAL A 300 7.282 -2.207 -14.078 1.00 0.00 H new ATOM 537 N PRO A 301 3.788 -3.881 -13.625 1.00 0.00 N ATOM 538 CA PRO A 301 2.847 -3.573 -12.532 1.00 0.00 C ATOM 539 C PRO A 301 3.257 -2.323 -11.770 1.00 0.00 C ATOM 540 O PRO A 301 4.430 -2.130 -11.449 1.00 0.00 O ATOM 541 CB PRO A 301 2.911 -4.836 -11.691 1.00 0.00 C ATOM 542 CG PRO A 301 3.020 -5.927 -12.709 1.00 0.00 C ATOM 543 CD PRO A 301 3.725 -5.317 -13.934 1.00 0.00 C ATOM 0 HA PRO A 301 1.836 -3.341 -12.866 1.00 0.00 H new ATOM 0 HB2 PRO A 301 3.769 -4.827 -11.018 1.00 0.00 H new ATOM 0 HB3 PRO A 301 2.021 -4.952 -11.072 1.00 0.00 H new ATOM 0 HG2 PRO A 301 3.588 -6.769 -12.315 1.00 0.00 H new ATOM 0 HG3 PRO A 301 2.034 -6.306 -12.978 1.00 0.00 H new ATOM 0 HD2 PRO A 301 4.720 -5.740 -14.074 1.00 0.00 H new ATOM 0 HD3 PRO A 301 3.167 -5.505 -14.851 1.00 0.00 H new ATOM 551 N GLY A 302 2.285 -1.454 -11.529 1.00 0.00 N ATOM 552 CA GLY A 302 2.550 -0.193 -10.857 1.00 0.00 C ATOM 553 C GLY A 302 2.799 0.871 -11.916 1.00 0.00 C ATOM 554 O GLY A 302 3.076 2.031 -11.611 1.00 0.00 O ATOM 0 H GLY A 302 1.309 -1.600 -11.788 1.00 0.00 H new ATOM 0 HA2 GLY A 302 1.704 0.087 -10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 302 3.416 -0.287 -10.202 1.00 0.00 H new ATOM 558 N GLY A 303 2.691 0.441 -13.173 1.00 0.00 N ATOM 559 CA GLY A 303 2.894 1.321 -14.316 1.00 0.00 C ATOM 560 C GLY A 303 2.493 0.611 -15.608 1.00 0.00 C ATOM 561 O GLY A 303 2.284 1.247 -16.641 1.00 0.00 O ATOM 0 H GLY A 303 2.462 -0.521 -13.423 1.00 0.00 H new ATOM 0 HA2 GLY A 303 2.304 2.229 -14.194 1.00 0.00 H new ATOM 0 HA3 GLY A 303 3.940 1.625 -14.369 1.00 0.00 H new ATOM 565 N GLY A 304 2.384 -0.717 -15.538 1.00 0.00 N ATOM 566 CA GLY A 304 2.000 -1.516 -16.703 1.00 0.00 C ATOM 567 C GLY A 304 0.487 -1.482 -16.897 1.00 0.00 C ATOM 568 O GLY A 304 -0.221 -0.771 -16.182 1.00 0.00 O ATOM 0 H GLY A 304 2.555 -1.260 -14.691 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.496 -1.132 -17.595 1.00 0.00 H new ATOM 0 HA3 GLY A 304 2.333 -2.546 -16.571 1.00 0.00 H new ATOM 572 N SER A 305 -0.008 -2.253 -17.860 1.00 0.00 N ATOM 573 CA SER A 305 -1.444 -2.295 -18.123 1.00 0.00 C ATOM 574 C SER A 305 -2.149 -3.141 -17.065 1.00 0.00 C ATOM 575 O SER A 305 -3.338 -3.435 -17.178 1.00 0.00 O ATOM 576 CB SER A 305 -1.719 -2.867 -19.515 1.00 0.00 C ATOM 577 OG SER A 305 -1.148 -2.011 -20.496 1.00 0.00 O ATOM 0 H SER A 305 0.555 -2.851 -18.465 1.00 0.00 H new ATOM 0 HA SER A 305 -1.831 -1.277 -18.081 1.00 0.00 H new ATOM 0 HB2 SER A 305 -1.297 -3.868 -19.599 1.00 0.00 H new ATOM 0 HB3 SER A 305 -2.793 -2.959 -19.677 1.00 0.00 H new ATOM 0 HG SER A 305 -1.321 -2.376 -21.389 1.00 0.00 H new ATOM 583 N VAL A 306 -1.399 -3.514 -16.031 1.00 0.00 N ATOM 584 CA VAL A 306 -1.944 -4.313 -14.936 1.00 0.00 C ATOM 585 C VAL A 306 -2.402 -5.690 -15.415 1.00 0.00 C ATOM 586 O VAL A 306 -3.279 -6.303 -14.807 1.00 0.00 O ATOM 587 CB VAL A 306 -3.121 -3.572 -14.291 1.00 0.00 C ATOM 588 CG1 VAL A 306 -3.542 -4.277 -12.995 1.00 0.00 C ATOM 589 CG2 VAL A 306 -2.698 -2.133 -13.979 1.00 0.00 C ATOM 0 H VAL A 306 -0.412 -3.276 -15.928 1.00 0.00 H new ATOM 0 HA VAL A 306 -1.151 -4.460 -14.203 1.00 0.00 H new ATOM 0 HB VAL A 306 -3.966 -3.568 -14.980 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -4.379 -3.742 -12.545 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.844 -5.300 -13.219 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -2.703 -4.290 -12.299 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -3.531 -1.600 -13.520 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -1.851 -2.143 -13.293 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -2.410 -1.630 -14.902 1.00 0.00 H new ATOM 599 N GLN A 307 -1.801 -6.185 -16.492 1.00 0.00 N ATOM 600 CA GLN A 307 -2.168 -7.504 -17.005 1.00 0.00 C ATOM 601 C GLN A 307 -1.903 -8.562 -15.938 1.00 0.00 C ATOM 602 O GLN A 307 -2.732 -9.438 -15.693 1.00 0.00 O ATOM 603 CB GLN A 307 -1.350 -7.828 -18.259 1.00 0.00 C ATOM 604 CG GLN A 307 0.044 -7.196 -18.144 1.00 0.00 C ATOM 605 CD GLN A 307 0.075 -5.854 -18.867 1.00 0.00 C ATOM 606 OE1 GLN A 307 0.334 -4.769 -18.194 1.00 0.00 O flip ATOM 607 NE2 GLN A 307 -0.144 -5.794 -20.077 1.00 0.00 N flip ATOM 0 H GLN A 307 -1.071 -5.705 -17.019 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.228 -7.501 -17.261 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -1.262 -8.908 -18.379 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -1.860 -7.450 -19.145 1.00 0.00 H new ATOM 0 HG2 GLN A 307 0.303 -7.058 -17.094 1.00 0.00 H new ATOM 0 HG3 GLN A 307 0.791 -7.865 -18.571 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -0.346 -6.645 -20.601 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -0.123 -4.893 -20.555 1.00 0.00 H new ATOM 616 N ILE A 308 -0.742 -8.453 -15.295 1.00 0.00 N ATOM 617 CA ILE A 308 -0.361 -9.381 -14.232 1.00 0.00 C ATOM 618 C ILE A 308 -0.059 -8.595 -12.963 1.00 0.00 C ATOM 619 O ILE A 308 0.055 -7.372 -13.002 1.00 0.00 O ATOM 620 CB ILE A 308 0.856 -10.225 -14.650 1.00 0.00 C ATOM 621 CG1 ILE A 308 2.169 -9.451 -14.442 1.00 0.00 C ATOM 622 CG2 ILE A 308 0.728 -10.599 -16.128 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.149 -8.151 -15.238 1.00 0.00 C ATOM 0 H ILE A 308 -0.049 -7.731 -15.492 1.00 0.00 H new ATOM 0 HA ILE A 308 -1.188 -10.065 -14.044 1.00 0.00 H new ATOM 0 HB ILE A 308 0.879 -11.121 -14.029 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.308 -9.235 -13.383 1.00 0.00 H new ATOM 0 HG13 ILE A 308 3.014 -10.064 -14.755 1.00 0.00 H new ATOM 0 HG21 ILE A 308 1.589 -11.197 -16.428 1.00 0.00 H new ATOM 0 HG22 ILE A 308 -0.185 -11.175 -16.280 1.00 0.00 H new ATOM 0 HG23 ILE A 308 0.689 -9.692 -16.731 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.084 -7.614 -15.081 1.00 0.00 H new ATOM 0 HD12 ILE A 308 2.033 -8.375 -16.298 1.00 0.00 H new ATOM 0 HD13 ILE A 308 1.315 -7.533 -14.904 1.00 0.00 H new ATOM 635 N VAL A 309 0.053 -9.288 -11.834 1.00 0.00 N ATOM 636 CA VAL A 309 0.331 -8.611 -10.567 1.00 0.00 C ATOM 637 C VAL A 309 1.624 -9.113 -9.924 1.00 0.00 C ATOM 638 O VAL A 309 1.907 -8.788 -8.771 1.00 0.00 O ATOM 639 CB VAL A 309 -0.833 -8.826 -9.599 1.00 0.00 C ATOM 640 CG1 VAL A 309 -2.136 -8.369 -10.257 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.936 -10.310 -9.245 1.00 0.00 C ATOM 0 H VAL A 309 -0.042 -10.301 -11.767 1.00 0.00 H new ATOM 0 HA VAL A 309 0.451 -7.549 -10.781 1.00 0.00 H new ATOM 0 HB VAL A 309 -0.661 -8.247 -8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -2.966 -8.522 -9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -2.065 -7.311 -10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -2.308 -8.948 -11.165 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.766 -10.463 -8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -1.107 -10.889 -10.152 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -0.009 -10.637 -8.775 1.00 0.00 H new ATOM 651 N TYR A 310 2.408 -9.911 -10.654 1.00 0.00 N ATOM 652 CA TYR A 310 3.659 -10.437 -10.095 1.00 0.00 C ATOM 653 C TYR A 310 4.892 -9.743 -10.690 1.00 0.00 C ATOM 654 O TYR A 310 6.017 -10.126 -10.375 1.00 0.00 O ATOM 655 CB TYR A 310 3.760 -11.962 -10.319 1.00 0.00 C ATOM 656 CG TYR A 310 2.654 -12.440 -11.227 1.00 0.00 C ATOM 657 CD1 TYR A 310 1.326 -12.426 -10.788 1.00 0.00 C ATOM 658 CD2 TYR A 310 2.964 -12.915 -12.505 1.00 0.00 C ATOM 659 CE1 TYR A 310 0.306 -12.885 -11.631 1.00 0.00 C ATOM 660 CE2 TYR A 310 1.948 -13.376 -13.348 1.00 0.00 C ATOM 661 CZ TYR A 310 0.617 -13.362 -12.911 1.00 0.00 C ATOM 662 OH TYR A 310 -0.386 -13.816 -13.741 1.00 0.00 O ATOM 0 H TYR A 310 2.207 -10.202 -11.611 1.00 0.00 H new ATOM 0 HA TYR A 310 3.640 -10.230 -9.025 1.00 0.00 H new ATOM 0 HB2 TYR A 310 4.728 -12.207 -10.756 1.00 0.00 H new ATOM 0 HB3 TYR A 310 3.702 -12.480 -9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 310 1.087 -12.062 -9.800 1.00 0.00 H new ATOM 0 HD2 TYR A 310 3.990 -12.926 -12.842 1.00 0.00 H new ATOM 0 HE1 TYR A 310 -0.720 -12.871 -11.294 1.00 0.00 H new ATOM 0 HE2 TYR A 310 2.189 -13.742 -14.335 1.00 0.00 H new ATOM 0 HH TYR A 310 0.001 -14.110 -14.592 1.00 0.00 H new ATOM 672 N LYS A 311 4.686 -8.734 -11.544 1.00 0.00 N ATOM 673 CA LYS A 311 5.815 -8.026 -12.153 1.00 0.00 C ATOM 674 C LYS A 311 6.980 -8.983 -12.402 1.00 0.00 C ATOM 675 O LYS A 311 8.094 -8.759 -11.928 1.00 0.00 O ATOM 676 CB LYS A 311 6.275 -6.872 -11.250 1.00 0.00 C ATOM 677 CG LYS A 311 6.094 -7.250 -9.777 1.00 0.00 C ATOM 678 CD LYS A 311 6.546 -6.084 -8.891 1.00 0.00 C ATOM 679 CE LYS A 311 8.053 -6.180 -8.643 1.00 0.00 C ATOM 680 NZ LYS A 311 8.506 -4.987 -7.872 1.00 0.00 N ATOM 0 H LYS A 311 3.766 -8.395 -11.825 1.00 0.00 H new ATOM 0 HA LYS A 311 5.484 -7.619 -13.108 1.00 0.00 H new ATOM 0 HB2 LYS A 311 7.322 -6.641 -11.448 1.00 0.00 H new ATOM 0 HB3 LYS A 311 5.702 -5.973 -11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 311 5.049 -7.489 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 311 6.675 -8.143 -9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 311 6.306 -5.135 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 311 6.009 -6.106 -7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 311 8.285 -7.092 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 311 8.586 -6.237 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 9.530 -5.051 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 8.298 -4.124 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 8.006 -4.952 -6.961 1.00 0.00 H new ATOM 694 N PRO A 312 6.734 -10.040 -13.130 1.00 0.00 N ATOM 695 CA PRO A 312 7.773 -11.055 -13.448 1.00 0.00 C ATOM 696 C PRO A 312 9.177 -10.455 -13.497 1.00 0.00 C ATOM 697 O PRO A 312 9.905 -10.621 -12.532 1.00 0.00 O ATOM 698 CB PRO A 312 7.349 -11.566 -14.821 1.00 0.00 C ATOM 699 CG PRO A 312 5.859 -11.430 -14.848 1.00 0.00 C ATOM 700 CD PRO A 312 5.486 -10.315 -13.860 1.00 0.00 C ATOM 701 OXT PRO A 312 9.502 -9.839 -14.498 1.00 0.00 O ATOM 0 HA PRO A 312 7.834 -11.836 -12.690 1.00 0.00 H new ATOM 0 HB2 PRO A 312 7.812 -10.984 -15.618 1.00 0.00 H new ATOM 0 HB3 PRO A 312 7.652 -12.603 -14.966 1.00 0.00 H new ATOM 0 HG2 PRO A 312 5.513 -11.185 -15.852 1.00 0.00 H new ATOM 0 HG3 PRO A 312 5.382 -12.369 -14.566 1.00 0.00 H new ATOM 0 HD2 PRO A 312 5.126 -9.427 -14.380 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.692 -10.632 -13.184 1.00 0.00 H new TER 709 PRO A 312