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 269 GLN : amide:sc= 0.101 K(o=0.56,f=-0.16) USER MOD Set 1.2: A 285 SER OG : rot 101:sc= 0.459 USER MOD Single : A 267 LYS NZ :NH3+ -166:sc= -0.245 (180deg=-0.864) USER MOD Single : A 268 HIS : no HD1:sc= 0.044 K(o=0.044,f=-1.5!) USER MOD Single : A 274 LYS NZ :NH3+ 176:sc=-0.00153 (180deg=-0.00827) USER MOD Single : A 276 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.25) USER MOD Single : A 279 ASN : amide:sc= -0.0634 X(o=-0.063,f=-0.012) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 ASN : amide:sc= -6.5! C(o=-6.5!,f=-2.6!) USER MOD Single : A 288 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.00024) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ 152:sc= -0.336 (180deg=-1.39!) USER MOD Single : A 291 CYS SG : rot -80:sc= -0.177 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ -172:sc= -1 (180deg=-1.28) USER MOD Single : A 296 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.6!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HE2:sc= -9.82! C(o=-9.8!,f=-18!) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -15.5! C(o=-16!,f=-11!) 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 14.893 -18.477 -18.297 1.00 0.00 N ATOM 2 CA LYS A 267 14.502 -17.113 -18.630 1.00 0.00 C ATOM 3 C LYS A 267 14.521 -16.905 -20.141 1.00 0.00 C ATOM 4 O LYS A 267 13.631 -16.262 -20.699 1.00 0.00 O ATOM 5 CB LYS A 267 15.453 -16.119 -17.957 1.00 0.00 C ATOM 6 CG LYS A 267 16.843 -16.226 -18.589 1.00 0.00 C ATOM 7 CD LYS A 267 17.827 -15.356 -17.807 1.00 0.00 C ATOM 8 CE LYS A 267 19.128 -15.219 -18.598 1.00 0.00 C ATOM 9 NZ LYS A 267 19.337 -16.440 -19.426 1.00 0.00 N ATOM 0 HA LYS A 267 13.488 -16.944 -18.267 1.00 0.00 H new ATOM 0 HB2 LYS A 267 15.071 -15.104 -18.066 1.00 0.00 H new ATOM 0 HB3 LYS A 267 15.512 -16.324 -16.888 1.00 0.00 H new ATOM 0 HG2 LYS A 267 17.177 -17.264 -18.586 1.00 0.00 H new ATOM 0 HG3 LYS A 267 16.806 -15.906 -19.630 1.00 0.00 H new ATOM 0 HD2 LYS A 267 17.394 -14.372 -17.626 1.00 0.00 H new ATOM 0 HD3 LYS A 267 18.027 -15.801 -16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 267 19.087 -14.336 -19.236 1.00 0.00 H new ATOM 0 HE3 LYS A 267 19.967 -15.081 -17.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 20.316 -16.459 -19.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 19.159 -17.286 -18.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 18.682 -16.428 -20.233 1.00 0.00 H new ATOM 23 N HIS A 268 15.537 -17.455 -20.799 1.00 0.00 N ATOM 24 CA HIS A 268 15.658 -17.326 -22.246 1.00 0.00 C ATOM 25 C HIS A 268 14.608 -18.183 -22.946 1.00 0.00 C ATOM 26 O HIS A 268 14.121 -19.164 -22.386 1.00 0.00 O ATOM 27 CB HIS A 268 17.055 -17.758 -22.694 1.00 0.00 C ATOM 28 CG HIS A 268 17.209 -19.240 -22.492 1.00 0.00 C ATOM 29 ND1 HIS A 268 17.386 -19.801 -21.236 1.00 0.00 N ATOM 30 CD2 HIS A 268 17.214 -20.292 -23.376 1.00 0.00 C ATOM 31 CE1 HIS A 268 17.488 -21.133 -21.398 1.00 0.00 C ATOM 32 NE2 HIS A 268 17.390 -21.485 -22.683 1.00 0.00 N ATOM 0 H HIS A 268 16.284 -17.991 -20.356 1.00 0.00 H new ATOM 0 HA HIS A 268 15.499 -16.282 -22.516 1.00 0.00 H new ATOM 0 HB2 HIS A 268 17.207 -17.505 -23.743 1.00 0.00 H new ATOM 0 HB3 HIS A 268 17.814 -17.222 -22.124 1.00 0.00 H new ATOM 0 HD2 HIS A 268 17.099 -20.206 -24.446 1.00 0.00 H new ATOM 0 HE1 HIS A 268 17.632 -21.832 -20.588 1.00 0.00 H new ATOM 0 HE2 HIS A 268 17.435 -22.427 -23.072 1.00 0.00 H new ATOM 41 N GLN A 269 14.266 -17.808 -24.174 1.00 0.00 N ATOM 42 CA GLN A 269 13.274 -18.553 -24.938 1.00 0.00 C ATOM 43 C GLN A 269 13.787 -19.962 -25.244 1.00 0.00 C ATOM 44 O GLN A 269 14.989 -20.163 -25.418 1.00 0.00 O ATOM 45 CB GLN A 269 12.974 -17.818 -26.247 1.00 0.00 C ATOM 46 CG GLN A 269 14.178 -17.931 -27.184 1.00 0.00 C ATOM 47 CD GLN A 269 14.127 -16.824 -28.232 1.00 0.00 C ATOM 48 OE1 GLN A 269 15.163 -16.269 -28.600 1.00 0.00 O ATOM 49 NE2 GLN A 269 12.979 -16.469 -28.738 1.00 0.00 N ATOM 0 H GLN A 269 14.657 -17.000 -24.658 1.00 0.00 H new ATOM 0 HA GLN A 269 12.361 -18.632 -24.347 1.00 0.00 H new ATOM 0 HB2 GLN A 269 12.090 -18.244 -26.721 1.00 0.00 H new ATOM 0 HB3 GLN A 269 12.754 -16.770 -26.045 1.00 0.00 H new ATOM 0 HG2 GLN A 269 15.103 -17.859 -26.612 1.00 0.00 H new ATOM 0 HG3 GLN A 269 14.180 -18.906 -27.672 1.00 0.00 H new ATOM 0 HE21 GLN A 269 12.122 -16.930 -28.432 1.00 0.00 H new ATOM 0 HE22 GLN A 269 12.938 -15.730 -29.440 1.00 0.00 H new ATOM 58 N PRO A 270 12.909 -20.932 -25.315 1.00 0.00 N ATOM 59 CA PRO A 270 13.320 -22.340 -25.615 1.00 0.00 C ATOM 60 C PRO A 270 14.030 -22.456 -26.961 1.00 0.00 C ATOM 61 O PRO A 270 13.852 -21.615 -27.842 1.00 0.00 O ATOM 62 CB PRO A 270 12.003 -23.129 -25.620 1.00 0.00 C ATOM 63 CG PRO A 270 10.932 -22.110 -25.802 1.00 0.00 C ATOM 64 CD PRO A 270 11.450 -20.836 -25.145 1.00 0.00 C ATOM 0 HA PRO A 270 14.034 -22.715 -24.882 1.00 0.00 H new ATOM 0 HB2 PRO A 270 11.988 -23.863 -26.426 1.00 0.00 H new ATOM 0 HB3 PRO A 270 11.870 -23.677 -24.687 1.00 0.00 H new ATOM 0 HG2 PRO A 270 10.724 -21.947 -26.859 1.00 0.00 H new ATOM 0 HG3 PRO A 270 10.000 -22.436 -25.340 1.00 0.00 H new ATOM 0 HD2 PRO A 270 11.048 -19.944 -25.625 1.00 0.00 H new ATOM 0 HD3 PRO A 270 11.171 -20.785 -24.093 1.00 0.00 H new ATOM 72 N GLY A 271 14.828 -23.507 -27.114 1.00 0.00 N ATOM 73 CA GLY A 271 15.551 -23.725 -28.360 1.00 0.00 C ATOM 74 C GLY A 271 14.691 -24.502 -29.350 1.00 0.00 C ATOM 75 O GLY A 271 14.826 -25.720 -29.482 1.00 0.00 O ATOM 0 H GLY A 271 14.989 -24.215 -26.398 1.00 0.00 H new ATOM 0 HA2 GLY A 271 15.838 -22.767 -28.793 1.00 0.00 H new ATOM 0 HA3 GLY A 271 16.472 -24.273 -28.161 1.00 0.00 H new ATOM 79 N GLY A 272 13.809 -23.791 -30.044 1.00 0.00 N ATOM 80 CA GLY A 272 12.930 -24.424 -31.022 1.00 0.00 C ATOM 81 C GLY A 272 11.572 -24.760 -30.412 1.00 0.00 C ATOM 82 O GLY A 272 10.724 -25.367 -31.065 1.00 0.00 O ATOM 0 H GLY A 272 13.684 -22.783 -29.949 1.00 0.00 H new ATOM 0 HA2 GLY A 272 12.793 -23.759 -31.875 1.00 0.00 H new ATOM 0 HA3 GLY A 272 13.397 -25.334 -31.399 1.00 0.00 H new ATOM 86 N GLY A 273 11.370 -24.363 -29.159 1.00 0.00 N ATOM 87 CA GLY A 273 10.104 -24.633 -28.482 1.00 0.00 C ATOM 88 C GLY A 273 10.005 -26.102 -28.087 1.00 0.00 C ATOM 89 O GLY A 273 9.051 -26.790 -28.451 1.00 0.00 O ATOM 0 H GLY A 273 12.056 -23.860 -28.597 1.00 0.00 H new ATOM 0 HA2 GLY A 273 10.020 -24.006 -27.594 1.00 0.00 H new ATOM 0 HA3 GLY A 273 9.273 -24.371 -29.137 1.00 0.00 H new ATOM 93 N LYS A 274 11.002 -26.583 -27.349 1.00 0.00 N ATOM 94 CA LYS A 274 11.019 -27.977 -26.923 1.00 0.00 C ATOM 95 C LYS A 274 9.736 -28.340 -26.178 1.00 0.00 C ATOM 96 O LYS A 274 8.902 -29.080 -26.696 1.00 0.00 O ATOM 97 CB LYS A 274 12.223 -28.227 -26.012 1.00 0.00 C ATOM 98 CG LYS A 274 13.517 -28.029 -26.805 1.00 0.00 C ATOM 99 CD LYS A 274 14.714 -28.391 -25.924 1.00 0.00 C ATOM 100 CE LYS A 274 16.012 -28.074 -26.669 1.00 0.00 C ATOM 101 NZ LYS A 274 16.302 -26.616 -26.563 1.00 0.00 N ATOM 0 H LYS A 274 11.802 -26.033 -27.036 1.00 0.00 H new ATOM 0 HA LYS A 274 11.092 -28.602 -27.813 1.00 0.00 H new ATOM 0 HB2 LYS A 274 12.197 -27.544 -25.163 1.00 0.00 H new ATOM 0 HB3 LYS A 274 12.183 -29.239 -25.609 1.00 0.00 H new ATOM 0 HG2 LYS A 274 13.508 -28.653 -27.699 1.00 0.00 H new ATOM 0 HG3 LYS A 274 13.597 -26.995 -27.139 1.00 0.00 H new ATOM 0 HD2 LYS A 274 14.673 -27.832 -24.989 1.00 0.00 H new ATOM 0 HD3 LYS A 274 14.681 -29.449 -25.664 1.00 0.00 H new ATOM 0 HE2 LYS A 274 16.836 -28.651 -26.248 1.00 0.00 H new ATOM 0 HE3 LYS A 274 15.923 -28.363 -27.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 17.218 -26.411 -27.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 15.553 -26.077 -27.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 16.337 -26.341 -25.561 1.00 0.00 H new ATOM 115 N VAL A 275 9.585 -27.812 -24.964 1.00 0.00 N ATOM 116 CA VAL A 275 8.396 -28.093 -24.159 1.00 0.00 C ATOM 117 C VAL A 275 8.245 -27.055 -23.050 1.00 0.00 C ATOM 118 O VAL A 275 7.187 -26.941 -22.431 1.00 0.00 O ATOM 119 CB VAL A 275 8.501 -29.488 -23.529 1.00 0.00 C ATOM 120 CG1 VAL A 275 7.406 -29.657 -22.474 1.00 0.00 C ATOM 121 CG2 VAL A 275 8.334 -30.568 -24.603 1.00 0.00 C ATOM 0 H VAL A 275 10.263 -27.193 -24.519 1.00 0.00 H new ATOM 0 HA VAL A 275 7.525 -28.052 -24.813 1.00 0.00 H new ATOM 0 HB VAL A 275 9.482 -29.591 -23.065 1.00 0.00 H new ATOM 0 HG11 VAL A 275 7.481 -30.648 -22.027 1.00 0.00 H new ATOM 0 HG12 VAL A 275 7.527 -28.900 -21.700 1.00 0.00 H new ATOM 0 HG13 VAL A 275 6.428 -29.544 -22.943 1.00 0.00 H new ATOM 0 HG21 VAL A 275 8.411 -31.553 -24.143 1.00 0.00 H new ATOM 0 HG22 VAL A 275 7.357 -30.463 -25.076 1.00 0.00 H new ATOM 0 HG23 VAL A 275 9.115 -30.457 -25.355 1.00 0.00 H new ATOM 131 N GLN A 276 9.318 -26.316 -22.797 1.00 0.00 N ATOM 132 CA GLN A 276 9.317 -25.297 -21.752 1.00 0.00 C ATOM 133 C GLN A 276 8.193 -24.287 -21.972 1.00 0.00 C ATOM 134 O GLN A 276 7.043 -24.659 -22.202 1.00 0.00 O ATOM 135 CB GLN A 276 10.660 -24.569 -21.755 1.00 0.00 C ATOM 136 CG GLN A 276 11.783 -25.578 -21.512 1.00 0.00 C ATOM 137 CD GLN A 276 13.122 -24.951 -21.876 1.00 0.00 C ATOM 138 OE1 GLN A 276 13.945 -24.684 -21.000 1.00 0.00 O ATOM 139 NE2 GLN A 276 13.386 -24.697 -23.128 1.00 0.00 N ATOM 0 H GLN A 276 10.201 -26.402 -23.301 1.00 0.00 H new ATOM 0 HA GLN A 276 9.157 -25.787 -20.792 1.00 0.00 H new ATOM 0 HB2 GLN A 276 10.810 -24.063 -22.709 1.00 0.00 H new ATOM 0 HB3 GLN A 276 10.672 -23.801 -20.982 1.00 0.00 H new ATOM 0 HG2 GLN A 276 11.787 -25.888 -20.467 1.00 0.00 H new ATOM 0 HG3 GLN A 276 11.616 -26.474 -22.109 1.00 0.00 H new ATOM 0 HE21 GLN A 276 12.700 -24.920 -23.849 1.00 0.00 H new ATOM 0 HE22 GLN A 276 14.278 -24.275 -23.386 1.00 0.00 H new ATOM 148 N ILE A 277 8.538 -23.006 -21.892 1.00 0.00 N ATOM 149 CA ILE A 277 7.556 -21.946 -22.080 1.00 0.00 C ATOM 150 C ILE A 277 6.925 -22.047 -23.467 1.00 0.00 C ATOM 151 O ILE A 277 5.736 -21.776 -23.638 1.00 0.00 O ATOM 152 CB ILE A 277 8.231 -20.583 -21.915 1.00 0.00 C ATOM 153 CG1 ILE A 277 8.866 -20.496 -20.526 1.00 0.00 C ATOM 154 CG2 ILE A 277 7.189 -19.475 -22.064 1.00 0.00 C ATOM 155 CD1 ILE A 277 9.656 -19.192 -20.404 1.00 0.00 C ATOM 0 H ILE A 277 9.485 -22.679 -21.699 1.00 0.00 H new ATOM 0 HA ILE A 277 6.772 -22.055 -21.330 1.00 0.00 H new ATOM 0 HB ILE A 277 9.000 -20.465 -22.678 1.00 0.00 H new ATOM 0 HG12 ILE A 277 8.093 -20.538 -19.758 1.00 0.00 H new ATOM 0 HG13 ILE A 277 9.525 -21.349 -20.362 1.00 0.00 H new ATOM 0 HG21 ILE A 277 7.671 -18.504 -21.946 1.00 0.00 H new ATOM 0 HG22 ILE A 277 6.732 -19.536 -23.052 1.00 0.00 H new ATOM 0 HG23 ILE A 277 6.420 -19.593 -21.300 1.00 0.00 H new ATOM 0 HD11 ILE A 277 10.108 -19.132 -19.414 1.00 0.00 H new ATOM 0 HD12 ILE A 277 10.439 -19.169 -21.162 1.00 0.00 H new ATOM 0 HD13 ILE A 277 8.985 -18.345 -20.549 1.00 0.00 H new ATOM 167 N ILE A 278 7.736 -22.446 -24.445 1.00 0.00 N ATOM 168 CA ILE A 278 7.273 -22.595 -25.826 1.00 0.00 C ATOM 169 C ILE A 278 6.808 -21.264 -26.417 1.00 0.00 C ATOM 170 O ILE A 278 6.961 -21.030 -27.617 1.00 0.00 O ATOM 171 CB ILE A 278 6.143 -23.623 -25.893 1.00 0.00 C ATOM 172 CG1 ILE A 278 6.679 -24.982 -25.432 1.00 0.00 C ATOM 173 CG2 ILE A 278 5.638 -23.737 -27.333 1.00 0.00 C ATOM 174 CD1 ILE A 278 5.532 -25.987 -25.303 1.00 0.00 C ATOM 0 H ILE A 278 8.721 -22.673 -24.307 1.00 0.00 H new ATOM 0 HA ILE A 278 8.117 -22.943 -26.421 1.00 0.00 H new ATOM 0 HB ILE A 278 5.322 -23.310 -25.248 1.00 0.00 H new ATOM 0 HG12 ILE A 278 7.417 -25.351 -26.145 1.00 0.00 H new ATOM 0 HG13 ILE A 278 7.187 -24.874 -24.474 1.00 0.00 H new ATOM 0 HG21 ILE A 278 4.833 -24.470 -27.379 1.00 0.00 H new ATOM 0 HG22 ILE A 278 5.266 -22.768 -27.666 1.00 0.00 H new ATOM 0 HG23 ILE A 278 6.455 -24.054 -27.981 1.00 0.00 H new ATOM 0 HD11 ILE A 278 5.926 -26.949 -24.975 1.00 0.00 H new ATOM 0 HD12 ILE A 278 4.809 -25.623 -24.573 1.00 0.00 H new ATOM 0 HD13 ILE A 278 5.042 -26.106 -26.270 1.00 0.00 H new ATOM 186 N ASN A 279 6.250 -20.390 -25.585 1.00 0.00 N ATOM 187 CA ASN A 279 5.789 -19.093 -26.069 1.00 0.00 C ATOM 188 C ASN A 279 6.984 -18.205 -26.388 1.00 0.00 C ATOM 189 O ASN A 279 7.132 -17.121 -25.829 1.00 0.00 O ATOM 190 CB ASN A 279 4.908 -18.408 -25.021 1.00 0.00 C ATOM 191 CG ASN A 279 3.876 -19.391 -24.483 1.00 0.00 C ATOM 192 OD1 ASN A 279 3.664 -19.471 -23.273 1.00 0.00 O ATOM 193 ND2 ASN A 279 3.218 -20.150 -25.314 1.00 0.00 N ATOM 0 H ASN A 279 6.107 -20.552 -24.588 1.00 0.00 H new ATOM 0 HA ASN A 279 5.201 -19.252 -26.973 1.00 0.00 H new ATOM 0 HB2 ASN A 279 5.525 -18.033 -24.204 1.00 0.00 H new ATOM 0 HB3 ASN A 279 4.406 -17.547 -25.463 1.00 0.00 H new ATOM 0 HD21 ASN A 279 2.526 -20.812 -24.962 1.00 0.00 H new ATOM 0 HD22 ASN A 279 3.395 -20.082 -26.316 1.00 0.00 H new ATOM 200 N LYS A 280 7.841 -18.678 -27.284 1.00 0.00 N ATOM 201 CA LYS A 280 9.030 -17.923 -27.659 1.00 0.00 C ATOM 202 C LYS A 280 8.665 -16.486 -27.998 1.00 0.00 C ATOM 203 O LYS A 280 9.391 -15.552 -27.656 1.00 0.00 O ATOM 204 CB LYS A 280 9.672 -18.559 -28.883 1.00 0.00 C ATOM 205 CG LYS A 280 10.177 -19.962 -28.546 1.00 0.00 C ATOM 206 CD LYS A 280 10.512 -20.705 -29.842 1.00 0.00 C ATOM 207 CE LYS A 280 11.279 -19.773 -30.782 1.00 0.00 C ATOM 208 NZ LYS A 280 11.891 -20.569 -31.883 1.00 0.00 N ATOM 0 H LYS A 280 7.737 -19.573 -27.761 1.00 0.00 H new ATOM 0 HA LYS A 280 9.723 -17.933 -26.817 1.00 0.00 H new ATOM 0 HB2 LYS A 280 8.948 -18.611 -29.697 1.00 0.00 H new ATOM 0 HB3 LYS A 280 10.499 -17.941 -29.231 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.060 -19.900 -27.910 1.00 0.00 H new ATOM 0 HG3 LYS A 280 9.419 -20.509 -27.986 1.00 0.00 H new ATOM 0 HD2 LYS A 280 11.110 -21.589 -29.622 1.00 0.00 H new ATOM 0 HD3 LYS A 280 9.597 -21.050 -30.323 1.00 0.00 H new ATOM 0 HE2 LYS A 280 10.606 -19.021 -31.194 1.00 0.00 H new ATOM 0 HE3 LYS A 280 12.054 -19.240 -30.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 12.412 -19.935 -32.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 12.545 -21.271 -31.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 11.143 -21.058 -32.415 1.00 0.00 H new ATOM 222 N LYS A 281 7.533 -16.315 -28.664 1.00 0.00 N ATOM 223 CA LYS A 281 7.079 -14.987 -29.035 1.00 0.00 C ATOM 224 C LYS A 281 6.959 -14.124 -27.788 1.00 0.00 C ATOM 225 O LYS A 281 7.096 -12.902 -27.843 1.00 0.00 O ATOM 226 CB LYS A 281 5.720 -15.070 -29.735 1.00 0.00 C ATOM 227 CG LYS A 281 5.881 -15.732 -31.109 1.00 0.00 C ATOM 228 CD LYS A 281 6.008 -17.253 -30.951 1.00 0.00 C ATOM 229 CE LYS A 281 5.762 -17.930 -32.301 1.00 0.00 C ATOM 230 NZ LYS A 281 6.473 -19.239 -32.335 1.00 0.00 N ATOM 0 H LYS A 281 6.917 -17.074 -28.956 1.00 0.00 H new ATOM 0 HA LYS A 281 7.802 -14.543 -29.719 1.00 0.00 H new ATOM 0 HB2 LYS A 281 5.021 -15.643 -29.125 1.00 0.00 H new ATOM 0 HB3 LYS A 281 5.299 -14.071 -29.850 1.00 0.00 H new ATOM 0 HG2 LYS A 281 5.023 -15.495 -31.738 1.00 0.00 H new ATOM 0 HG3 LYS A 281 6.764 -15.336 -31.611 1.00 0.00 H new ATOM 0 HD2 LYS A 281 7.000 -17.509 -30.580 1.00 0.00 H new ATOM 0 HD3 LYS A 281 5.289 -17.614 -30.215 1.00 0.00 H new ATOM 0 HE2 LYS A 281 4.694 -18.080 -32.456 1.00 0.00 H new ATOM 0 HE3 LYS A 281 6.115 -17.291 -33.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 6.307 -19.701 -33.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 7.493 -19.083 -32.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 6.116 -19.848 -31.571 1.00 0.00 H new ATOM 244 N LEU A 282 6.695 -14.779 -26.664 1.00 0.00 N ATOM 245 CA LEU A 282 6.552 -14.072 -25.393 1.00 0.00 C ATOM 246 C LEU A 282 7.885 -13.473 -24.958 1.00 0.00 C ATOM 247 O LEU A 282 7.939 -12.355 -24.445 1.00 0.00 O ATOM 248 CB LEU A 282 6.053 -15.032 -24.311 1.00 0.00 C ATOM 249 CG LEU A 282 5.657 -14.241 -23.062 1.00 0.00 C ATOM 250 CD1 LEU A 282 4.221 -13.727 -23.207 1.00 0.00 C ATOM 251 CD2 LEU A 282 5.750 -15.148 -21.832 1.00 0.00 C ATOM 0 H LEU A 282 6.576 -15.790 -26.604 1.00 0.00 H new ATOM 0 HA LEU A 282 5.829 -13.268 -25.530 1.00 0.00 H new ATOM 0 HB2 LEU A 282 5.198 -15.599 -24.680 1.00 0.00 H new ATOM 0 HB3 LEU A 282 6.832 -15.754 -24.064 1.00 0.00 H new ATOM 0 HG LEU A 282 6.333 -13.394 -22.945 1.00 0.00 H new ATOM 0 HD11 LEU A 282 3.944 -13.165 -22.315 1.00 0.00 H new ATOM 0 HD12 LEU A 282 4.153 -13.079 -24.081 1.00 0.00 H new ATOM 0 HD13 LEU A 282 3.543 -14.572 -23.328 1.00 0.00 H new ATOM 0 HD21 LEU A 282 5.468 -14.585 -20.942 1.00 0.00 H new ATOM 0 HD22 LEU A 282 5.076 -15.996 -21.953 1.00 0.00 H new ATOM 0 HD23 LEU A 282 6.772 -15.510 -21.723 1.00 0.00 H new ATOM 263 N ASP A 283 8.958 -14.231 -25.162 1.00 0.00 N ATOM 264 CA ASP A 283 10.291 -13.777 -24.784 1.00 0.00 C ATOM 265 C ASP A 283 11.039 -13.219 -25.991 1.00 0.00 C ATOM 266 O ASP A 283 10.970 -13.776 -27.088 1.00 0.00 O ATOM 267 CB ASP A 283 11.085 -14.940 -24.184 1.00 0.00 C ATOM 268 CG ASP A 283 10.440 -15.389 -22.876 1.00 0.00 C ATOM 269 OD1 ASP A 283 9.605 -14.659 -22.370 1.00 0.00 O ATOM 270 OD2 ASP A 283 10.793 -16.456 -22.402 1.00 0.00 O ATOM 0 H ASP A 283 8.931 -15.159 -25.585 1.00 0.00 H new ATOM 0 HA ASP A 283 10.184 -12.984 -24.044 1.00 0.00 H new ATOM 0 HB2 ASP A 283 11.117 -15.771 -24.888 1.00 0.00 H new ATOM 0 HB3 ASP A 283 12.116 -14.634 -24.005 1.00 0.00 H new ATOM 275 N LEU A 284 11.762 -12.125 -25.779 1.00 0.00 N ATOM 276 CA LEU A 284 12.530 -11.512 -26.854 1.00 0.00 C ATOM 277 C LEU A 284 13.939 -12.077 -26.852 1.00 0.00 C ATOM 278 O LEU A 284 14.774 -11.694 -27.670 1.00 0.00 O ATOM 279 CB LEU A 284 12.597 -9.994 -26.662 1.00 0.00 C ATOM 280 CG LEU A 284 11.232 -9.467 -26.205 1.00 0.00 C ATOM 281 CD1 LEU A 284 10.135 -10.066 -27.089 1.00 0.00 C ATOM 282 CD2 LEU A 284 10.980 -9.844 -24.730 1.00 0.00 C ATOM 0 H LEU A 284 11.832 -11.648 -24.880 1.00 0.00 H new ATOM 0 HA LEU A 284 12.042 -11.730 -27.804 1.00 0.00 H new ATOM 0 HB2 LEU A 284 13.359 -9.745 -25.923 1.00 0.00 H new ATOM 0 HB3 LEU A 284 12.889 -9.513 -27.595 1.00 0.00 H new ATOM 0 HG LEU A 284 11.220 -8.381 -26.294 1.00 0.00 H new ATOM 0 HD11 LEU A 284 9.163 -9.693 -26.766 1.00 0.00 H new ATOM 0 HD12 LEU A 284 10.307 -9.780 -28.127 1.00 0.00 H new ATOM 0 HD13 LEU A 284 10.153 -11.153 -27.005 1.00 0.00 H new ATOM 0 HD21 LEU A 284 10.007 -9.464 -24.418 1.00 0.00 H new ATOM 0 HD22 LEU A 284 10.997 -10.929 -24.624 1.00 0.00 H new ATOM 0 HD23 LEU A 284 11.758 -9.406 -24.105 1.00 0.00 H new ATOM 294 N SER A 285 14.187 -12.980 -25.904 1.00 0.00 N ATOM 295 CA SER A 285 15.493 -13.609 -25.752 1.00 0.00 C ATOM 296 C SER A 285 16.326 -12.828 -24.745 1.00 0.00 C ATOM 297 O SER A 285 15.822 -11.926 -24.074 1.00 0.00 O ATOM 298 CB SER A 285 16.229 -13.679 -27.093 1.00 0.00 C ATOM 299 OG SER A 285 17.154 -14.757 -27.061 1.00 0.00 O ATOM 0 H SER A 285 13.492 -13.293 -25.226 1.00 0.00 H new ATOM 0 HA SER A 285 15.344 -14.627 -25.391 1.00 0.00 H new ATOM 0 HB2 SER A 285 15.517 -13.819 -27.906 1.00 0.00 H new ATOM 0 HB3 SER A 285 16.751 -12.741 -27.285 1.00 0.00 H new ATOM 0 HG SER A 285 16.776 -15.526 -27.536 1.00 0.00 H new ATOM 305 N ASN A 286 17.598 -13.178 -24.643 1.00 0.00 N ATOM 306 CA ASN A 286 18.493 -12.504 -23.712 1.00 0.00 C ATOM 307 C ASN A 286 18.413 -10.991 -23.889 1.00 0.00 C ATOM 308 O ASN A 286 18.744 -10.233 -22.978 1.00 0.00 O ATOM 309 CB ASN A 286 19.932 -12.973 -23.940 1.00 0.00 C ATOM 310 CG ASN A 286 20.432 -12.486 -25.297 1.00 0.00 C ATOM 311 OD1 ASN A 286 20.838 -13.291 -26.135 1.00 0.00 O ATOM 312 ND2 ASN A 286 20.428 -11.208 -25.566 1.00 0.00 N ATOM 0 H ASN A 286 18.034 -13.921 -25.190 1.00 0.00 H new ATOM 0 HA ASN A 286 18.186 -12.754 -22.697 1.00 0.00 H new ATOM 0 HB2 ASN A 286 20.577 -12.592 -23.148 1.00 0.00 H new ATOM 0 HB3 ASN A 286 19.980 -14.061 -23.895 1.00 0.00 H new ATOM 0 HD21 ASN A 286 20.761 -10.876 -26.471 1.00 0.00 H new ATOM 0 HD22 ASN A 286 20.091 -10.542 -24.871 1.00 0.00 H new ATOM 319 N VAL A 287 17.975 -10.559 -25.068 1.00 0.00 N ATOM 320 CA VAL A 287 17.862 -9.132 -25.351 1.00 0.00 C ATOM 321 C VAL A 287 16.873 -8.470 -24.397 1.00 0.00 C ATOM 322 O VAL A 287 16.915 -7.256 -24.191 1.00 0.00 O ATOM 323 CB VAL A 287 17.399 -8.921 -26.793 1.00 0.00 C ATOM 324 CG1 VAL A 287 18.252 -9.775 -27.733 1.00 0.00 C ATOM 325 CG2 VAL A 287 15.929 -9.328 -26.922 1.00 0.00 C ATOM 0 H VAL A 287 17.695 -11.169 -25.836 1.00 0.00 H new ATOM 0 HA VAL A 287 18.842 -8.676 -25.212 1.00 0.00 H new ATOM 0 HB VAL A 287 17.508 -7.870 -27.060 1.00 0.00 H new ATOM 0 HG11 VAL A 287 17.922 -9.625 -28.761 1.00 0.00 H new ATOM 0 HG12 VAL A 287 19.298 -9.483 -27.641 1.00 0.00 H new ATOM 0 HG13 VAL A 287 18.144 -10.827 -27.467 1.00 0.00 H new ATOM 0 HG21 VAL A 287 15.599 -9.178 -27.950 1.00 0.00 H new ATOM 0 HG22 VAL A 287 15.818 -10.379 -26.655 1.00 0.00 H new ATOM 0 HG23 VAL A 287 15.322 -8.718 -26.253 1.00 0.00 H new ATOM 335 N GLN A 288 15.981 -9.270 -23.822 1.00 0.00 N ATOM 336 CA GLN A 288 14.985 -8.742 -22.896 1.00 0.00 C ATOM 337 C GLN A 288 15.659 -7.945 -21.784 1.00 0.00 C ATOM 338 O GLN A 288 15.191 -6.870 -21.408 1.00 0.00 O ATOM 339 CB GLN A 288 14.178 -9.893 -22.292 1.00 0.00 C ATOM 340 CG GLN A 288 15.065 -10.692 -21.335 1.00 0.00 C ATOM 341 CD GLN A 288 14.370 -11.993 -20.944 1.00 0.00 C ATOM 342 OE1 GLN A 288 14.928 -12.794 -20.193 1.00 0.00 O ATOM 343 NE2 GLN A 288 13.181 -12.256 -21.414 1.00 0.00 N ATOM 0 H GLN A 288 15.927 -10.276 -23.978 1.00 0.00 H new ATOM 0 HA GLN A 288 14.316 -8.079 -23.444 1.00 0.00 H new ATOM 0 HB2 GLN A 288 13.310 -9.503 -21.760 1.00 0.00 H new ATOM 0 HB3 GLN A 288 13.802 -10.542 -23.083 1.00 0.00 H new ATOM 0 HG2 GLN A 288 16.022 -10.909 -21.809 1.00 0.00 H new ATOM 0 HG3 GLN A 288 15.277 -10.101 -20.444 1.00 0.00 H new ATOM 0 HE21 GLN A 288 12.720 -11.592 -22.036 1.00 0.00 H new ATOM 0 HE22 GLN A 288 12.713 -13.126 -21.159 1.00 0.00 H new ATOM 352 N SER A 289 16.770 -8.472 -21.276 1.00 0.00 N ATOM 353 CA SER A 289 17.524 -7.805 -20.215 1.00 0.00 C ATOM 354 C SER A 289 16.684 -7.597 -18.951 1.00 0.00 C ATOM 355 O SER A 289 17.229 -7.510 -17.850 1.00 0.00 O ATOM 356 CB SER A 289 18.031 -6.452 -20.715 1.00 0.00 C ATOM 357 OG SER A 289 18.162 -5.564 -19.614 1.00 0.00 O ATOM 0 H SER A 289 17.169 -9.360 -21.581 1.00 0.00 H new ATOM 0 HA SER A 289 18.362 -8.451 -19.955 1.00 0.00 H new ATOM 0 HB2 SER A 289 18.992 -6.573 -21.216 1.00 0.00 H new ATOM 0 HB3 SER A 289 17.339 -6.040 -21.449 1.00 0.00 H new ATOM 0 HG SER A 289 18.488 -4.696 -19.931 1.00 0.00 H new ATOM 363 N LYS A 290 15.366 -7.507 -19.107 1.00 0.00 N ATOM 364 CA LYS A 290 14.486 -7.296 -17.963 1.00 0.00 C ATOM 365 C LYS A 290 14.029 -8.630 -17.377 1.00 0.00 C ATOM 366 O LYS A 290 13.886 -9.619 -18.096 1.00 0.00 O ATOM 367 CB LYS A 290 13.267 -6.472 -18.386 1.00 0.00 C ATOM 368 CG LYS A 290 12.529 -5.980 -17.140 1.00 0.00 C ATOM 369 CD LYS A 290 11.313 -5.150 -17.558 1.00 0.00 C ATOM 370 CE LYS A 290 10.687 -4.496 -16.323 1.00 0.00 C ATOM 371 NZ LYS A 290 11.751 -3.850 -15.505 1.00 0.00 N ATOM 0 H LYS A 290 14.888 -7.576 -20.005 1.00 0.00 H new ATOM 0 HA LYS A 290 15.042 -6.754 -17.198 1.00 0.00 H new ATOM 0 HB2 LYS A 290 13.581 -5.624 -18.995 1.00 0.00 H new ATOM 0 HB3 LYS A 290 12.601 -7.077 -19.001 1.00 0.00 H new ATOM 0 HG2 LYS A 290 12.212 -6.829 -16.534 1.00 0.00 H new ATOM 0 HG3 LYS A 290 13.197 -5.379 -16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 290 11.611 -4.385 -18.275 1.00 0.00 H new ATOM 0 HD3 LYS A 290 10.581 -5.785 -18.056 1.00 0.00 H new ATOM 0 HE2 LYS A 290 9.948 -3.755 -16.627 1.00 0.00 H new ATOM 0 HE3 LYS A 290 10.162 -5.245 -15.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 11.346 -3.050 -14.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 12.142 -4.543 -14.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 12.508 -3.506 -16.129 1.00 0.00 H new ATOM 385 N CYS A 291 13.802 -8.647 -16.067 1.00 0.00 N ATOM 386 CA CYS A 291 13.361 -9.862 -15.390 1.00 0.00 C ATOM 387 C CYS A 291 11.889 -10.126 -15.689 1.00 0.00 C ATOM 388 O CYS A 291 11.109 -9.191 -15.874 1.00 0.00 O ATOM 389 CB CYS A 291 13.563 -9.724 -13.880 1.00 0.00 C ATOM 390 SG CYS A 291 12.877 -11.175 -13.044 1.00 0.00 S ATOM 0 H CYS A 291 13.915 -7.838 -15.456 1.00 0.00 H new ATOM 0 HA CYS A 291 13.954 -10.700 -15.756 1.00 0.00 H new ATOM 0 HB2 CYS A 291 14.624 -9.628 -13.652 1.00 0.00 H new ATOM 0 HB3 CYS A 291 13.076 -8.819 -13.518 1.00 0.00 H new ATOM 0 HG CYS A 291 11.587 -11.049 -12.944 1.00 0.00 H new ATOM 396 N GLY A 292 11.518 -11.400 -15.755 1.00 0.00 N ATOM 397 CA GLY A 292 10.138 -11.763 -16.055 1.00 0.00 C ATOM 398 C GLY A 292 9.832 -11.463 -17.514 1.00 0.00 C ATOM 399 O GLY A 292 10.549 -11.901 -18.413 1.00 0.00 O ATOM 0 H GLY A 292 12.145 -12.190 -15.607 1.00 0.00 H new ATOM 0 HA2 GLY A 292 9.978 -12.822 -15.851 1.00 0.00 H new ATOM 0 HA3 GLY A 292 9.458 -11.207 -15.410 1.00 0.00 H new ATOM 403 N SER A 293 8.776 -10.695 -17.739 1.00 0.00 N ATOM 404 CA SER A 293 8.390 -10.314 -19.090 1.00 0.00 C ATOM 405 C SER A 293 8.492 -8.808 -19.235 1.00 0.00 C ATOM 406 O SER A 293 8.271 -8.075 -18.275 1.00 0.00 O ATOM 407 CB SER A 293 6.953 -10.744 -19.376 1.00 0.00 C ATOM 408 OG SER A 293 6.840 -12.153 -19.223 1.00 0.00 O ATOM 0 H SER A 293 8.172 -10.324 -17.005 1.00 0.00 H new ATOM 0 HA SER A 293 9.057 -10.807 -19.797 1.00 0.00 H new ATOM 0 HB2 SER A 293 6.268 -10.238 -18.696 1.00 0.00 H new ATOM 0 HB3 SER A 293 6.670 -10.454 -20.388 1.00 0.00 H new ATOM 0 HG SER A 293 5.917 -12.429 -19.405 1.00 0.00 H new ATOM 414 N LYS A 294 8.821 -8.345 -20.431 1.00 0.00 N ATOM 415 CA LYS A 294 8.930 -6.914 -20.673 1.00 0.00 C ATOM 416 C LYS A 294 7.737 -6.447 -21.488 1.00 0.00 C ATOM 417 O LYS A 294 7.033 -5.514 -21.100 1.00 0.00 O ATOM 418 CB LYS A 294 10.228 -6.595 -21.416 1.00 0.00 C ATOM 419 CG LYS A 294 10.417 -5.077 -21.467 1.00 0.00 C ATOM 420 CD LYS A 294 11.717 -4.747 -22.200 1.00 0.00 C ATOM 421 CE LYS A 294 11.985 -3.243 -22.115 1.00 0.00 C ATOM 422 NZ LYS A 294 10.698 -2.520 -21.907 1.00 0.00 N ATOM 0 H LYS A 294 9.016 -8.932 -21.242 1.00 0.00 H new ATOM 0 HA LYS A 294 8.943 -6.392 -19.716 1.00 0.00 H new ATOM 0 HB2 LYS A 294 11.074 -7.062 -20.912 1.00 0.00 H new ATOM 0 HB3 LYS A 294 10.193 -7.004 -22.426 1.00 0.00 H new ATOM 0 HG2 LYS A 294 9.573 -4.612 -21.976 1.00 0.00 H new ATOM 0 HG3 LYS A 294 10.444 -4.669 -20.456 1.00 0.00 H new ATOM 0 HD2 LYS A 294 12.546 -5.300 -21.759 1.00 0.00 H new ATOM 0 HD3 LYS A 294 11.647 -5.056 -23.243 1.00 0.00 H new ATOM 0 HE2 LYS A 294 12.670 -3.031 -21.295 1.00 0.00 H new ATOM 0 HE3 LYS A 294 12.466 -2.896 -23.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 10.859 -1.495 -21.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 10.012 -2.818 -22.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 10.324 -2.741 -20.962 1.00 0.00 H new ATOM 436 N ASP A 295 7.511 -7.107 -22.622 1.00 0.00 N ATOM 437 CA ASP A 295 6.393 -6.753 -23.485 1.00 0.00 C ATOM 438 C ASP A 295 6.226 -5.243 -23.502 1.00 0.00 C ATOM 439 O ASP A 295 5.110 -4.726 -23.504 1.00 0.00 O ATOM 440 CB ASP A 295 5.109 -7.412 -22.982 1.00 0.00 C ATOM 441 CG ASP A 295 5.224 -8.928 -23.095 1.00 0.00 C ATOM 442 OD1 ASP A 295 6.132 -9.384 -23.771 1.00 0.00 O ATOM 443 OD2 ASP A 295 4.405 -9.611 -22.504 1.00 0.00 O ATOM 0 H ASP A 295 8.082 -7.882 -22.960 1.00 0.00 H new ATOM 0 HA ASP A 295 6.595 -7.108 -24.496 1.00 0.00 H new ATOM 0 HB2 ASP A 295 4.927 -7.129 -21.945 1.00 0.00 H new ATOM 0 HB3 ASP A 295 4.257 -7.059 -23.563 1.00 0.00 H new ATOM 448 N ASN A 296 7.354 -4.545 -23.489 1.00 0.00 N ATOM 449 CA ASN A 296 7.346 -3.092 -23.477 1.00 0.00 C ATOM 450 C ASN A 296 6.931 -2.593 -22.099 1.00 0.00 C ATOM 451 O ASN A 296 6.097 -1.696 -21.973 1.00 0.00 O ATOM 452 CB ASN A 296 6.378 -2.556 -24.536 1.00 0.00 C ATOM 453 CG ASN A 296 6.771 -1.136 -24.931 1.00 0.00 C ATOM 454 OD1 ASN A 296 7.898 -0.709 -24.682 1.00 0.00 O ATOM 455 ND2 ASN A 296 5.903 -0.374 -25.538 1.00 0.00 N ATOM 0 H ASN A 296 8.284 -4.963 -23.487 1.00 0.00 H new ATOM 0 HA ASN A 296 8.349 -2.732 -23.706 1.00 0.00 H new ATOM 0 HB2 ASN A 296 6.391 -3.203 -25.413 1.00 0.00 H new ATOM 0 HB3 ASN A 296 5.360 -2.566 -24.148 1.00 0.00 H new ATOM 0 HD21 ASN A 296 6.158 0.576 -25.806 1.00 0.00 H new ATOM 0 HD22 ASN A 296 4.969 -0.729 -25.744 1.00 0.00 H new ATOM 462 N ILE A 297 7.526 -3.190 -21.069 1.00 0.00 N ATOM 463 CA ILE A 297 7.227 -2.815 -19.693 1.00 0.00 C ATOM 464 C ILE A 297 5.757 -2.424 -19.547 1.00 0.00 C ATOM 465 O ILE A 297 5.400 -1.579 -18.726 1.00 0.00 O ATOM 466 CB ILE A 297 8.146 -1.660 -19.261 1.00 0.00 C ATOM 467 CG1 ILE A 297 8.012 -1.422 -17.754 1.00 0.00 C ATOM 468 CG2 ILE A 297 7.783 -0.373 -20.013 1.00 0.00 C ATOM 469 CD1 ILE A 297 9.287 -0.766 -17.224 1.00 0.00 C ATOM 0 H ILE A 297 8.217 -3.934 -21.163 1.00 0.00 H new ATOM 0 HA ILE A 297 7.409 -3.672 -19.044 1.00 0.00 H new ATOM 0 HB ILE A 297 9.175 -1.931 -19.499 1.00 0.00 H new ATOM 0 HG12 ILE A 297 7.151 -0.784 -17.551 1.00 0.00 H new ATOM 0 HG13 ILE A 297 7.837 -2.367 -17.240 1.00 0.00 H new ATOM 0 HG21 ILE A 297 8.444 0.433 -19.694 1.00 0.00 H new ATOM 0 HG22 ILE A 297 7.897 -0.533 -21.085 1.00 0.00 H new ATOM 0 HG23 ILE A 297 6.750 -0.103 -19.795 1.00 0.00 H new ATOM 0 HD11 ILE A 297 9.191 -0.597 -16.152 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.138 -1.420 -17.413 1.00 0.00 H new ATOM 0 HD13 ILE A 297 9.443 0.187 -17.729 1.00 0.00 H new ATOM 481 N LYS A 298 4.904 -3.059 -20.344 1.00 0.00 N ATOM 482 CA LYS A 298 3.475 -2.779 -20.292 1.00 0.00 C ATOM 483 C LYS A 298 2.853 -3.402 -19.047 1.00 0.00 C ATOM 484 O LYS A 298 1.651 -3.281 -18.817 1.00 0.00 O ATOM 485 CB LYS A 298 2.784 -3.342 -21.539 1.00 0.00 C ATOM 486 CG LYS A 298 2.798 -4.875 -21.501 1.00 0.00 C ATOM 487 CD LYS A 298 2.194 -5.419 -22.799 1.00 0.00 C ATOM 488 CE LYS A 298 1.914 -6.916 -22.650 1.00 0.00 C ATOM 489 NZ LYS A 298 0.551 -7.113 -22.081 1.00 0.00 N ATOM 0 H LYS A 298 5.175 -3.765 -21.028 1.00 0.00 H new ATOM 0 HA LYS A 298 3.339 -1.698 -20.255 1.00 0.00 H new ATOM 0 HB2 LYS A 298 1.757 -2.981 -21.590 1.00 0.00 H new ATOM 0 HB3 LYS A 298 3.291 -2.988 -22.437 1.00 0.00 H new ATOM 0 HG2 LYS A 298 3.819 -5.238 -21.381 1.00 0.00 H new ATOM 0 HG3 LYS A 298 2.229 -5.234 -20.643 1.00 0.00 H new ATOM 0 HD2 LYS A 298 1.271 -4.888 -23.032 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.879 -5.248 -23.630 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.990 -7.409 -23.619 1.00 0.00 H new ATOM 0 HE3 LYS A 298 2.660 -7.373 -22.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 0.361 -8.130 -21.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 0.495 -6.656 -21.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -0.155 -6.690 -22.717 1.00 0.00 H new ATOM 503 N HIS A 299 3.677 -4.080 -18.254 1.00 0.00 N ATOM 504 CA HIS A 299 3.187 -4.729 -17.043 1.00 0.00 C ATOM 505 C HIS A 299 3.035 -3.730 -15.897 1.00 0.00 C ATOM 506 O HIS A 299 3.774 -2.750 -15.804 1.00 0.00 O ATOM 507 CB HIS A 299 4.136 -5.862 -16.643 1.00 0.00 C ATOM 508 CG HIS A 299 5.513 -5.315 -16.402 1.00 0.00 C ATOM 509 ND1 HIS A 299 5.775 -4.273 -15.524 1.00 0.00 N ATOM 510 CD2 HIS A 299 6.719 -5.678 -16.919 1.00 0.00 C ATOM 511 CE1 HIS A 299 7.103 -4.056 -15.543 1.00 0.00 C ATOM 512 NE2 HIS A 299 7.725 -4.888 -16.380 1.00 0.00 N ATOM 0 H HIS A 299 4.676 -4.194 -18.425 1.00 0.00 H new ATOM 0 HA HIS A 299 2.200 -5.142 -17.252 1.00 0.00 H new ATOM 0 HB2 HIS A 299 3.769 -6.355 -15.743 1.00 0.00 H new ATOM 0 HB3 HIS A 299 4.167 -6.616 -17.429 1.00 0.00 H new ATOM 0 HD1 HIS A 299 5.088 -3.765 -14.967 1.00 0.00 H new ATOM 0 HD2 HIS A 299 6.871 -6.465 -17.643 1.00 0.00 H new ATOM 0 HE1 HIS A 299 7.603 -3.302 -14.954 1.00 0.00 H new ATOM 521 N VAL A 300 2.068 -4.001 -15.018 1.00 0.00 N ATOM 522 CA VAL A 300 1.796 -3.136 -13.868 1.00 0.00 C ATOM 523 C VAL A 300 3.034 -2.924 -12.995 1.00 0.00 C ATOM 524 O VAL A 300 3.556 -1.813 -12.906 1.00 0.00 O ATOM 525 CB VAL A 300 0.677 -3.753 -13.016 1.00 0.00 C ATOM 526 CG1 VAL A 300 -0.160 -2.644 -12.371 1.00 0.00 C ATOM 527 CG2 VAL A 300 -0.218 -4.619 -13.906 1.00 0.00 C ATOM 0 H VAL A 300 1.458 -4.816 -15.081 1.00 0.00 H new ATOM 0 HA VAL A 300 1.492 -2.163 -14.256 1.00 0.00 H new ATOM 0 HB VAL A 300 1.119 -4.367 -12.231 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -0.952 -3.089 -11.768 1.00 0.00 H new ATOM 0 HG12 VAL A 300 0.478 -2.030 -11.736 1.00 0.00 H new ATOM 0 HG13 VAL A 300 -0.603 -2.023 -13.150 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -1.013 -5.059 -13.304 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -0.656 -4.003 -14.691 1.00 0.00 H new ATOM 0 HG23 VAL A 300 0.377 -5.413 -14.357 1.00 0.00 H new ATOM 537 N PRO A 301 3.496 -3.959 -12.337 1.00 0.00 N ATOM 538 CA PRO A 301 4.671 -3.857 -11.449 1.00 0.00 C ATOM 539 C PRO A 301 5.852 -3.206 -12.162 1.00 0.00 C ATOM 540 O PRO A 301 6.461 -3.807 -13.044 1.00 0.00 O ATOM 541 CB PRO A 301 4.955 -5.324 -11.125 1.00 0.00 C ATOM 542 CG PRO A 301 4.546 -6.079 -12.357 1.00 0.00 C ATOM 543 CD PRO A 301 3.634 -5.156 -13.172 1.00 0.00 C ATOM 0 HA PRO A 301 4.502 -3.238 -10.568 1.00 0.00 H new ATOM 0 HB2 PRO A 301 6.009 -5.481 -10.897 1.00 0.00 H new ATOM 0 HB3 PRO A 301 4.388 -5.653 -10.254 1.00 0.00 H new ATOM 0 HG2 PRO A 301 5.421 -6.368 -12.940 1.00 0.00 H new ATOM 0 HG3 PRO A 301 4.024 -6.998 -12.090 1.00 0.00 H new ATOM 0 HD2 PRO A 301 4.072 -4.917 -14.141 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.667 -5.621 -13.365 1.00 0.00 H new ATOM 551 N GLY A 302 6.162 -1.971 -11.779 1.00 0.00 N ATOM 552 CA GLY A 302 7.263 -1.242 -12.399 1.00 0.00 C ATOM 553 C GLY A 302 6.747 -0.261 -13.448 1.00 0.00 C ATOM 554 O GLY A 302 7.523 0.469 -14.064 1.00 0.00 O ATOM 0 H GLY A 302 5.670 -1.457 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 302 7.822 -0.702 -11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 302 7.954 -1.946 -12.863 1.00 0.00 H new ATOM 558 N GLY A 303 5.428 -0.242 -13.640 1.00 0.00 N ATOM 559 CA GLY A 303 4.812 0.663 -14.612 1.00 0.00 C ATOM 560 C GLY A 303 4.315 -0.091 -15.843 1.00 0.00 C ATOM 561 O GLY A 303 5.057 -0.857 -16.457 1.00 0.00 O ATOM 0 H GLY A 303 4.769 -0.838 -13.140 1.00 0.00 H new ATOM 0 HA2 GLY A 303 3.979 1.188 -14.145 1.00 0.00 H new ATOM 0 HA3 GLY A 303 5.535 1.420 -14.915 1.00 0.00 H new ATOM 565 N GLY A 304 3.052 0.140 -16.200 1.00 0.00 N ATOM 566 CA GLY A 304 2.457 -0.512 -17.363 1.00 0.00 C ATOM 567 C GLY A 304 0.957 -0.241 -17.429 1.00 0.00 C ATOM 568 O GLY A 304 0.434 0.592 -16.690 1.00 0.00 O ATOM 0 H GLY A 304 2.424 0.771 -15.702 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.937 -0.151 -18.273 1.00 0.00 H new ATOM 0 HA3 GLY A 304 2.635 -1.586 -17.314 1.00 0.00 H new ATOM 572 N SER A 305 0.270 -0.949 -18.322 1.00 0.00 N ATOM 573 CA SER A 305 -1.170 -0.774 -18.478 1.00 0.00 C ATOM 574 C SER A 305 -1.921 -1.357 -17.283 1.00 0.00 C ATOM 575 O SER A 305 -2.253 -0.642 -16.339 1.00 0.00 O ATOM 576 CB SER A 305 -1.642 -1.454 -19.763 1.00 0.00 C ATOM 577 OG SER A 305 -0.897 -0.947 -20.862 1.00 0.00 O ATOM 0 H SER A 305 0.684 -1.644 -18.944 1.00 0.00 H new ATOM 0 HA SER A 305 -1.380 0.294 -18.533 1.00 0.00 H new ATOM 0 HB2 SER A 305 -1.511 -2.533 -19.687 1.00 0.00 H new ATOM 0 HB3 SER A 305 -2.706 -1.272 -19.915 1.00 0.00 H new ATOM 0 HG SER A 305 -1.195 -1.382 -21.688 1.00 0.00 H new ATOM 583 N VAL A 306 -2.185 -2.660 -17.334 1.00 0.00 N ATOM 584 CA VAL A 306 -2.899 -3.333 -16.253 1.00 0.00 C ATOM 585 C VAL A 306 -3.101 -4.808 -16.592 1.00 0.00 C ATOM 586 O VAL A 306 -4.169 -5.209 -17.052 1.00 0.00 O ATOM 587 CB VAL A 306 -4.257 -2.660 -16.020 1.00 0.00 C ATOM 588 CG1 VAL A 306 -4.953 -2.423 -17.366 1.00 0.00 C ATOM 589 CG2 VAL A 306 -5.137 -3.554 -15.132 1.00 0.00 C ATOM 0 H VAL A 306 -1.917 -3.268 -18.108 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.305 -3.259 -15.342 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.102 -1.703 -15.521 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -5.918 -1.945 -17.197 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.332 -1.778 -17.988 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -5.104 -3.377 -17.870 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -6.100 -3.070 -14.970 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -5.291 -4.515 -15.623 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.644 -3.711 -14.173 1.00 0.00 H new ATOM 599 N GLN A 307 -2.064 -5.612 -16.369 1.00 0.00 N ATOM 600 CA GLN A 307 -2.135 -7.042 -16.662 1.00 0.00 C ATOM 601 C GLN A 307 -1.896 -7.871 -15.399 1.00 0.00 C ATOM 602 O GLN A 307 -2.809 -8.061 -14.596 1.00 0.00 O ATOM 603 CB GLN A 307 -1.101 -7.409 -17.735 1.00 0.00 C ATOM 604 CG GLN A 307 0.080 -6.444 -17.655 1.00 0.00 C ATOM 605 CD GLN A 307 -0.321 -5.079 -18.207 1.00 0.00 C ATOM 606 OE1 GLN A 307 -0.817 -4.983 -19.330 1.00 0.00 O ATOM 607 NE2 GLN A 307 -0.140 -4.013 -17.476 1.00 0.00 N ATOM 0 H GLN A 307 -1.170 -5.301 -15.989 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.135 -7.267 -17.034 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -0.758 -8.433 -17.589 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -1.556 -7.363 -18.724 1.00 0.00 H new ATOM 0 HG2 GLN A 307 0.409 -6.344 -16.621 1.00 0.00 H new ATOM 0 HG3 GLN A 307 0.923 -6.841 -18.221 1.00 0.00 H new ATOM 0 HE21 GLN A 307 0.271 -4.096 -16.546 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -0.410 -3.097 -17.835 1.00 0.00 H new ATOM 616 N ILE A 308 -0.674 -8.384 -15.235 1.00 0.00 N ATOM 617 CA ILE A 308 -0.359 -9.211 -14.068 1.00 0.00 C ATOM 618 C ILE A 308 0.477 -8.457 -13.028 1.00 0.00 C ATOM 619 O ILE A 308 1.536 -7.908 -13.325 1.00 0.00 O ATOM 620 CB ILE A 308 0.377 -10.489 -14.516 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.840 -10.190 -14.878 1.00 0.00 C ATOM 622 CG2 ILE A 308 -0.329 -11.074 -15.740 1.00 0.00 C ATOM 623 CD1 ILE A 308 1.914 -9.108 -15.960 1.00 0.00 C ATOM 0 H ILE A 308 0.101 -8.245 -15.883 1.00 0.00 H new ATOM 0 HA ILE A 308 -1.302 -9.477 -13.591 1.00 0.00 H new ATOM 0 HB ILE A 308 0.363 -11.200 -13.690 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.381 -9.863 -13.990 1.00 0.00 H new ATOM 0 HG13 ILE A 308 2.327 -11.099 -15.231 1.00 0.00 H new ATOM 0 HG21 ILE A 308 0.188 -11.978 -16.061 1.00 0.00 H new ATOM 0 HG22 ILE A 308 -1.360 -11.317 -15.484 1.00 0.00 H new ATOM 0 HG23 ILE A 308 -0.319 -10.344 -16.549 1.00 0.00 H new ATOM 0 HD11 ILE A 308 2.957 -8.909 -16.204 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.391 -9.450 -16.853 1.00 0.00 H new ATOM 0 HD13 ILE A 308 1.446 -8.194 -15.593 1.00 0.00 H new ATOM 635 N VAL A 309 -0.004 -8.465 -11.790 1.00 0.00 N ATOM 636 CA VAL A 309 0.713 -7.821 -10.697 1.00 0.00 C ATOM 637 C VAL A 309 1.744 -8.803 -10.156 1.00 0.00 C ATOM 638 O VAL A 309 2.568 -8.472 -9.303 1.00 0.00 O ATOM 639 CB VAL A 309 -0.258 -7.417 -9.587 1.00 0.00 C ATOM 640 CG1 VAL A 309 -1.373 -6.550 -10.175 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.867 -8.674 -8.962 1.00 0.00 C ATOM 0 H VAL A 309 -0.882 -8.908 -11.519 1.00 0.00 H new ATOM 0 HA VAL A 309 1.206 -6.919 -11.060 1.00 0.00 H new ATOM 0 HB VAL A 309 0.277 -6.852 -8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -2.065 -6.262 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -0.940 -5.655 -10.622 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.909 -7.115 -10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.560 -8.388 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -1.402 -9.238 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -0.074 -9.293 -8.544 1.00 0.00 H new ATOM 651 N TYR A 310 1.657 -10.025 -10.670 1.00 0.00 N ATOM 652 CA TYR A 310 2.543 -11.111 -10.272 1.00 0.00 C ATOM 653 C TYR A 310 3.999 -10.647 -10.164 1.00 0.00 C ATOM 654 O TYR A 310 4.850 -11.377 -9.658 1.00 0.00 O ATOM 655 CB TYR A 310 2.383 -12.257 -11.289 1.00 0.00 C ATOM 656 CG TYR A 310 3.670 -13.024 -11.471 1.00 0.00 C ATOM 657 CD1 TYR A 310 4.233 -13.732 -10.403 1.00 0.00 C ATOM 658 CD2 TYR A 310 4.292 -13.031 -12.722 1.00 0.00 C ATOM 659 CE1 TYR A 310 5.423 -14.447 -10.590 1.00 0.00 C ATOM 660 CE2 TYR A 310 5.477 -13.744 -12.911 1.00 0.00 C ATOM 661 CZ TYR A 310 6.045 -14.453 -11.845 1.00 0.00 C ATOM 662 OH TYR A 310 7.217 -15.159 -12.030 1.00 0.00 O ATOM 0 H TYR A 310 0.969 -10.290 -11.375 1.00 0.00 H new ATOM 0 HA TYR A 310 2.268 -11.462 -9.277 1.00 0.00 H new ATOM 0 HB2 TYR A 310 1.599 -12.936 -10.953 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.063 -11.850 -12.248 1.00 0.00 H new ATOM 0 HD1 TYR A 310 3.751 -13.727 -9.437 1.00 0.00 H new ATOM 0 HD2 TYR A 310 3.855 -12.484 -13.544 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.860 -14.993 -9.767 1.00 0.00 H new ATOM 0 HE2 TYR A 310 5.956 -13.749 -13.879 1.00 0.00 H new ATOM 0 HH TYR A 310 7.516 -15.060 -12.958 1.00 0.00 H new ATOM 672 N LYS A 311 4.283 -9.432 -10.620 1.00 0.00 N ATOM 673 CA LYS A 311 5.641 -8.904 -10.539 1.00 0.00 C ATOM 674 C LYS A 311 6.631 -9.834 -11.231 1.00 0.00 C ATOM 675 O LYS A 311 7.507 -10.416 -10.592 1.00 0.00 O ATOM 676 CB LYS A 311 6.039 -8.729 -9.073 1.00 0.00 C ATOM 677 CG LYS A 311 7.287 -7.848 -8.984 1.00 0.00 C ATOM 678 CD LYS A 311 7.829 -7.871 -7.554 1.00 0.00 C ATOM 679 CE LYS A 311 6.694 -7.577 -6.570 1.00 0.00 C ATOM 680 NZ LYS A 311 7.268 -7.145 -5.264 1.00 0.00 N ATOM 0 H LYS A 311 3.602 -8.801 -11.044 1.00 0.00 H new ATOM 0 HA LYS A 311 5.665 -7.939 -11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 311 5.220 -8.275 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 311 6.234 -9.701 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 311 8.048 -8.206 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 311 7.045 -6.826 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 311 8.269 -8.844 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 311 8.621 -7.131 -7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 311 6.045 -6.798 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 311 6.078 -8.466 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 6.497 -6.945 -4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 7.870 -7.902 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 7.838 -6.286 -5.402 1.00 0.00 H new ATOM 694 N PRO A 312 6.508 -9.972 -12.522 1.00 0.00 N ATOM 695 CA PRO A 312 7.410 -10.836 -13.325 1.00 0.00 C ATOM 696 C PRO A 312 8.883 -10.551 -13.044 1.00 0.00 C ATOM 697 O PRO A 312 9.540 -11.420 -12.496 1.00 0.00 O ATOM 698 CB PRO A 312 7.037 -10.468 -14.758 1.00 0.00 C ATOM 699 CG PRO A 312 5.584 -10.123 -14.703 1.00 0.00 C ATOM 700 CD PRO A 312 5.293 -9.631 -13.279 1.00 0.00 C ATOM 701 OXT PRO A 312 9.332 -9.467 -13.380 1.00 0.00 O ATOM 0 HA PRO A 312 7.291 -11.896 -13.100 1.00 0.00 H new ATOM 0 HB2 PRO A 312 7.629 -9.626 -15.116 1.00 0.00 H new ATOM 0 HB3 PRO A 312 7.220 -11.299 -15.439 1.00 0.00 H new ATOM 0 HG2 PRO A 312 5.343 -9.352 -15.434 1.00 0.00 H new ATOM 0 HG3 PRO A 312 4.972 -10.992 -14.943 1.00 0.00 H new ATOM 0 HD2 PRO A 312 5.100 -8.558 -13.260 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.413 -10.120 -12.861 1.00 0.00 H new TER 709 PRO A 312