USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=15 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 296 ASN : amide:sc= -1.85! C(o=-17!,f=-22!) USER MOD Set 1.2: A 299 HIS : no HD1:sc= -14.8! C(o=-17!,f=-22!) USER MOD Set 2.1: A 288 GLN :FLIP amide:sc= -0.689 F(o=-2.3!,f=-1.1) USER MOD Set 2.2: A 294 LYS NZ :NH3+ -116:sc= -0.392 (180deg=-0.405) USER MOD Single : A 267 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 268 HIS : no HE2:sc= -2.79! C(o=-2.8!,f=-5.5!) USER MOD Single : A 269 GLN :FLIP amide:sc= -3.59! C(o=-4.9!,f=-3.6!) USER MOD Single : A 274 LYS NZ :NH3+ 156:sc= -0.337 (180deg=-1.35!) USER MOD Single : A 276 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 279 ASN :FLIP amide:sc= -1.52 F(o=-7.8!,f=-1.5) 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 285 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 286 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.022) USER MOD Single : A 289 SER OG : rot -61:sc= 0.329 USER MOD Single : A 290 LYS NZ :NH3+ 149:sc= -4.04! (180deg=-4.67!) USER MOD Single : A 291 CYS SG : rot 19:sc= -0.922 USER MOD Single : A 293 SER OG : rot 28:sc= 0.842 USER MOD Single : A 298 LYS NZ :NH3+ 145:sc= -1.3 (180deg=-2.53!) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN :FLIP amide:sc= -2.03 F(o=-2.9,f=-2) USER MOD Single : A 310 TYR OH : rot 15:sc= -1.88! USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 16.267 2.017 -33.941 1.00 0.00 N ATOM 2 CA LYS A 267 16.474 0.597 -33.679 1.00 0.00 C ATOM 3 C LYS A 267 15.840 0.202 -32.349 1.00 0.00 C ATOM 4 O LYS A 267 15.566 -0.973 -32.106 1.00 0.00 O ATOM 5 CB LYS A 267 17.972 0.285 -33.646 1.00 0.00 C ATOM 6 CG LYS A 267 18.182 -1.228 -33.736 1.00 0.00 C ATOM 7 CD LYS A 267 19.635 -1.562 -33.399 1.00 0.00 C ATOM 8 CE LYS A 267 20.549 -1.050 -34.514 1.00 0.00 C ATOM 9 NZ LYS A 267 21.880 -1.712 -34.410 1.00 0.00 N ATOM 0 HA LYS A 267 16.002 0.025 -34.478 1.00 0.00 H new ATOM 0 HB2 LYS A 267 18.476 0.782 -34.475 1.00 0.00 H new ATOM 0 HB3 LYS A 267 18.414 0.670 -32.727 1.00 0.00 H new ATOM 0 HG2 LYS A 267 17.511 -1.741 -33.047 1.00 0.00 H new ATOM 0 HG3 LYS A 267 17.940 -1.580 -34.739 1.00 0.00 H new ATOM 0 HD2 LYS A 267 19.913 -1.106 -32.449 1.00 0.00 H new ATOM 0 HD3 LYS A 267 19.754 -2.639 -33.283 1.00 0.00 H new ATOM 0 HE2 LYS A 267 20.104 -1.256 -35.487 1.00 0.00 H new ATOM 0 HE3 LYS A 267 20.662 0.031 -34.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 22.501 -1.364 -35.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 22.305 -1.494 -33.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 21.764 -2.741 -34.503 1.00 0.00 H new ATOM 23 N HIS A 268 15.606 1.192 -31.494 1.00 0.00 N ATOM 24 CA HIS A 268 15.002 0.945 -30.191 1.00 0.00 C ATOM 25 C HIS A 268 13.532 1.350 -30.202 1.00 0.00 C ATOM 26 O HIS A 268 13.110 2.164 -31.024 1.00 0.00 O ATOM 27 CB HIS A 268 15.748 1.744 -29.120 1.00 0.00 C ATOM 28 CG HIS A 268 16.209 3.050 -29.709 1.00 0.00 C ATOM 29 ND1 HIS A 268 17.499 3.233 -30.182 1.00 0.00 N ATOM 30 CD2 HIS A 268 15.560 4.241 -29.919 1.00 0.00 C ATOM 31 CE1 HIS A 268 17.584 4.492 -30.650 1.00 0.00 C ATOM 32 NE2 HIS A 268 16.430 5.150 -30.515 1.00 0.00 N ATOM 0 H HIS A 268 15.825 2.171 -31.680 1.00 0.00 H new ATOM 0 HA HIS A 268 15.071 -0.119 -29.967 1.00 0.00 H new ATOM 0 HB2 HIS A 268 15.096 1.926 -28.265 1.00 0.00 H new ATOM 0 HB3 HIS A 268 16.602 1.175 -28.754 1.00 0.00 H new ATOM 0 HD1 HIS A 268 18.247 2.540 -30.176 1.00 0.00 H new ATOM 0 HD2 HIS A 268 14.531 4.442 -29.661 1.00 0.00 H new ATOM 0 HE1 HIS A 268 18.477 4.918 -31.082 1.00 0.00 H new ATOM 41 N GLN A 269 12.756 0.778 -29.286 1.00 0.00 N ATOM 42 CA GLN A 269 11.331 1.085 -29.198 1.00 0.00 C ATOM 43 C GLN A 269 11.024 1.829 -27.899 1.00 0.00 C ATOM 44 O GLN A 269 10.902 1.215 -26.841 1.00 0.00 O ATOM 45 CB GLN A 269 10.521 -0.214 -29.246 1.00 0.00 C ATOM 46 CG GLN A 269 11.320 -1.338 -28.582 1.00 0.00 C ATOM 47 CD GLN A 269 12.437 -1.805 -29.511 1.00 0.00 C ATOM 48 OE1 GLN A 269 13.671 -1.798 -29.087 1.00 0.00 O flip ATOM 49 NE2 GLN A 269 12.178 -2.186 -30.653 1.00 0.00 N flip ATOM 0 H GLN A 269 13.087 0.103 -28.597 1.00 0.00 H new ATOM 0 HA GLN A 269 11.058 1.720 -30.041 1.00 0.00 H new ATOM 0 HB2 GLN A 269 9.568 -0.080 -28.735 1.00 0.00 H new ATOM 0 HB3 GLN A 269 10.294 -0.476 -30.280 1.00 0.00 H new ATOM 0 HG2 GLN A 269 11.742 -0.988 -27.640 1.00 0.00 H new ATOM 0 HG3 GLN A 269 10.660 -2.173 -28.345 1.00 0.00 H new ATOM 0 HE21 GLN A 269 11.213 -2.191 -30.982 1.00 0.00 H new ATOM 0 HE22 GLN A 269 12.929 -2.497 -31.269 1.00 0.00 H new ATOM 58 N PRO A 270 10.888 3.129 -27.963 1.00 0.00 N ATOM 59 CA PRO A 270 10.579 3.948 -26.754 1.00 0.00 C ATOM 60 C PRO A 270 9.166 3.695 -26.236 1.00 0.00 C ATOM 61 O PRO A 270 8.851 3.998 -25.085 1.00 0.00 O ATOM 62 CB PRO A 270 10.737 5.387 -27.247 1.00 0.00 C ATOM 63 CG PRO A 270 11.738 5.307 -28.347 1.00 0.00 C ATOM 64 CD PRO A 270 11.545 3.939 -29.004 1.00 0.00 C ATOM 0 HA PRO A 270 11.231 3.708 -25.914 1.00 0.00 H new ATOM 0 HB2 PRO A 270 9.789 5.789 -27.604 1.00 0.00 H new ATOM 0 HB3 PRO A 270 11.080 6.043 -26.447 1.00 0.00 H new ATOM 0 HG2 PRO A 270 11.588 6.110 -29.069 1.00 0.00 H new ATOM 0 HG3 PRO A 270 12.751 5.413 -27.959 1.00 0.00 H new ATOM 0 HD2 PRO A 270 10.929 4.011 -29.901 1.00 0.00 H new ATOM 0 HD3 PRO A 270 12.498 3.504 -29.305 1.00 0.00 H new ATOM 72 N GLY A 271 8.321 3.135 -27.095 1.00 0.00 N ATOM 73 CA GLY A 271 6.944 2.841 -26.720 1.00 0.00 C ATOM 74 C GLY A 271 6.013 3.972 -27.138 1.00 0.00 C ATOM 75 O GLY A 271 4.866 3.738 -27.519 1.00 0.00 O ATOM 0 H GLY A 271 8.565 2.877 -28.051 1.00 0.00 H new ATOM 0 HA2 GLY A 271 6.626 1.910 -27.190 1.00 0.00 H new ATOM 0 HA3 GLY A 271 6.880 2.692 -25.642 1.00 0.00 H new ATOM 79 N GLY A 272 6.517 5.200 -27.071 1.00 0.00 N ATOM 80 CA GLY A 272 5.724 6.363 -27.451 1.00 0.00 C ATOM 81 C GLY A 272 5.236 6.236 -28.889 1.00 0.00 C ATOM 82 O GLY A 272 4.153 6.710 -29.233 1.00 0.00 O ATOM 0 H GLY A 272 7.464 5.415 -26.759 1.00 0.00 H new ATOM 0 HA2 GLY A 272 4.871 6.463 -26.780 1.00 0.00 H new ATOM 0 HA3 GLY A 272 6.322 7.268 -27.343 1.00 0.00 H new ATOM 86 N GLY A 273 6.045 5.594 -29.725 1.00 0.00 N ATOM 87 CA GLY A 273 5.690 5.408 -31.127 1.00 0.00 C ATOM 88 C GLY A 273 5.912 6.690 -31.920 1.00 0.00 C ATOM 89 O GLY A 273 6.738 6.732 -32.832 1.00 0.00 O ATOM 0 H GLY A 273 6.945 5.196 -29.458 1.00 0.00 H new ATOM 0 HA2 GLY A 273 6.289 4.603 -31.554 1.00 0.00 H new ATOM 0 HA3 GLY A 273 4.646 5.104 -31.205 1.00 0.00 H new ATOM 93 N LYS A 274 5.169 7.734 -31.570 1.00 0.00 N ATOM 94 CA LYS A 274 5.292 9.013 -32.258 1.00 0.00 C ATOM 95 C LYS A 274 6.707 9.567 -32.128 1.00 0.00 C ATOM 96 O LYS A 274 7.224 10.192 -33.054 1.00 0.00 O ATOM 97 CB LYS A 274 4.296 10.017 -31.674 1.00 0.00 C ATOM 98 CG LYS A 274 4.342 11.311 -32.487 1.00 0.00 C ATOM 99 CD LYS A 274 3.396 12.340 -31.864 1.00 0.00 C ATOM 100 CE LYS A 274 3.323 13.577 -32.760 1.00 0.00 C ATOM 101 NZ LYS A 274 3.089 13.155 -34.171 1.00 0.00 N ATOM 0 H LYS A 274 4.479 7.720 -30.819 1.00 0.00 H new ATOM 0 HA LYS A 274 5.076 8.853 -33.314 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.289 9.599 -31.692 1.00 0.00 H new ATOM 0 HB3 LYS A 274 4.538 10.221 -30.631 1.00 0.00 H new ATOM 0 HG2 LYS A 274 5.359 11.703 -32.509 1.00 0.00 H new ATOM 0 HG3 LYS A 274 4.053 11.115 -33.520 1.00 0.00 H new ATOM 0 HD2 LYS A 274 2.403 11.908 -31.741 1.00 0.00 H new ATOM 0 HD3 LYS A 274 3.748 12.618 -30.871 1.00 0.00 H new ATOM 0 HE2 LYS A 274 2.519 14.233 -32.427 1.00 0.00 H new ATOM 0 HE3 LYS A 274 4.250 14.146 -32.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 2.645 13.934 -34.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 3.997 12.910 -34.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 2.462 12.326 -34.186 1.00 0.00 H new ATOM 115 N VAL A 275 7.330 9.340 -30.975 1.00 0.00 N ATOM 116 CA VAL A 275 8.683 9.831 -30.746 1.00 0.00 C ATOM 117 C VAL A 275 9.715 8.781 -31.144 1.00 0.00 C ATOM 118 O VAL A 275 9.639 7.629 -30.716 1.00 0.00 O ATOM 119 CB VAL A 275 8.865 10.189 -29.270 1.00 0.00 C ATOM 120 CG1 VAL A 275 7.878 11.293 -28.887 1.00 0.00 C ATOM 121 CG2 VAL A 275 8.602 8.950 -28.411 1.00 0.00 C ATOM 0 H VAL A 275 6.924 8.825 -30.194 1.00 0.00 H new ATOM 0 HA VAL A 275 8.832 10.719 -31.360 1.00 0.00 H new ATOM 0 HB VAL A 275 9.884 10.539 -29.103 1.00 0.00 H new ATOM 0 HG11 VAL A 275 8.008 11.548 -27.835 1.00 0.00 H new ATOM 0 HG12 VAL A 275 8.063 12.175 -29.500 1.00 0.00 H new ATOM 0 HG13 VAL A 275 6.859 10.943 -29.053 1.00 0.00 H new ATOM 0 HG21 VAL A 275 8.731 9.203 -27.359 1.00 0.00 H new ATOM 0 HG22 VAL A 275 7.583 8.601 -28.578 1.00 0.00 H new ATOM 0 HG23 VAL A 275 9.304 8.162 -28.684 1.00 0.00 H new ATOM 131 N GLN A 276 10.684 9.190 -31.955 1.00 0.00 N ATOM 132 CA GLN A 276 11.731 8.276 -32.392 1.00 0.00 C ATOM 133 C GLN A 276 12.633 7.915 -31.217 1.00 0.00 C ATOM 134 O GLN A 276 13.183 6.816 -31.154 1.00 0.00 O ATOM 135 CB GLN A 276 12.568 8.924 -33.498 1.00 0.00 C ATOM 136 CG GLN A 276 11.649 9.397 -34.626 1.00 0.00 C ATOM 137 CD GLN A 276 10.769 8.247 -35.105 1.00 0.00 C ATOM 138 OE1 GLN A 276 11.276 7.203 -35.512 1.00 0.00 O ATOM 139 NE2 GLN A 276 9.470 8.378 -35.071 1.00 0.00 N ATOM 0 H GLN A 276 10.766 10.139 -32.320 1.00 0.00 H new ATOM 0 HA GLN A 276 11.264 7.370 -32.779 1.00 0.00 H new ATOM 0 HB2 GLN A 276 13.131 9.767 -33.096 1.00 0.00 H new ATOM 0 HB3 GLN A 276 13.296 8.210 -33.883 1.00 0.00 H new ATOM 0 HG2 GLN A 276 11.026 10.220 -34.276 1.00 0.00 H new ATOM 0 HG3 GLN A 276 12.245 9.778 -35.455 1.00 0.00 H new ATOM 0 HE21 GLN A 276 9.054 9.246 -34.733 1.00 0.00 H new ATOM 0 HE22 GLN A 276 8.872 7.613 -35.383 1.00 0.00 H new ATOM 148 N ILE A 277 12.779 8.857 -30.290 1.00 0.00 N ATOM 149 CA ILE A 277 13.616 8.645 -29.114 1.00 0.00 C ATOM 150 C ILE A 277 12.956 9.261 -27.886 1.00 0.00 C ATOM 151 O ILE A 277 11.845 8.884 -27.512 1.00 0.00 O ATOM 152 CB ILE A 277 14.989 9.287 -29.331 1.00 0.00 C ATOM 153 CG1 ILE A 277 15.561 8.818 -30.673 1.00 0.00 C ATOM 154 CG2 ILE A 277 15.944 8.882 -28.200 1.00 0.00 C ATOM 155 CD1 ILE A 277 16.912 9.492 -30.917 1.00 0.00 C ATOM 0 H ILE A 277 12.330 9.772 -30.330 1.00 0.00 H new ATOM 0 HA ILE A 277 13.738 7.573 -28.957 1.00 0.00 H new ATOM 0 HB ILE A 277 14.881 10.372 -29.334 1.00 0.00 H new ATOM 0 HG12 ILE A 277 15.679 7.734 -30.671 1.00 0.00 H new ATOM 0 HG13 ILE A 277 14.870 9.062 -31.480 1.00 0.00 H new ATOM 0 HG21 ILE A 277 16.918 9.344 -28.363 1.00 0.00 H new ATOM 0 HG22 ILE A 277 15.539 9.217 -27.245 1.00 0.00 H new ATOM 0 HG23 ILE A 277 16.054 7.798 -28.187 1.00 0.00 H new ATOM 0 HD11 ILE A 277 17.318 9.158 -31.872 1.00 0.00 H new ATOM 0 HD12 ILE A 277 16.780 10.574 -30.937 1.00 0.00 H new ATOM 0 HD13 ILE A 277 17.602 9.225 -30.116 1.00 0.00 H new ATOM 167 N ILE A 278 13.643 10.220 -27.274 1.00 0.00 N ATOM 168 CA ILE A 278 13.118 10.899 -26.094 1.00 0.00 C ATOM 169 C ILE A 278 12.766 9.897 -24.997 1.00 0.00 C ATOM 170 O ILE A 278 13.476 9.782 -23.998 1.00 0.00 O ATOM 171 CB ILE A 278 11.870 11.697 -26.478 1.00 0.00 C ATOM 172 CG1 ILE A 278 12.222 12.673 -27.606 1.00 0.00 C ATOM 173 CG2 ILE A 278 11.374 12.483 -25.263 1.00 0.00 C ATOM 174 CD1 ILE A 278 10.943 13.290 -28.180 1.00 0.00 C ATOM 0 H ILE A 278 14.562 10.544 -27.574 1.00 0.00 H new ATOM 0 HA ILE A 278 13.886 11.571 -25.712 1.00 0.00 H new ATOM 0 HB ILE A 278 11.089 11.015 -26.813 1.00 0.00 H new ATOM 0 HG12 ILE A 278 12.877 13.458 -27.228 1.00 0.00 H new ATOM 0 HG13 ILE A 278 12.769 12.152 -28.392 1.00 0.00 H new ATOM 0 HG21 ILE A 278 10.485 13.052 -25.536 1.00 0.00 H new ATOM 0 HG22 ILE A 278 11.129 11.791 -24.457 1.00 0.00 H new ATOM 0 HG23 ILE A 278 12.154 13.167 -24.929 1.00 0.00 H new ATOM 0 HD11 ILE A 278 11.201 13.983 -28.981 1.00 0.00 H new ATOM 0 HD12 ILE A 278 10.304 12.500 -28.575 1.00 0.00 H new ATOM 0 HD13 ILE A 278 10.413 13.827 -27.393 1.00 0.00 H new ATOM 186 N ASN A 279 11.665 9.179 -25.190 1.00 0.00 N ATOM 187 CA ASN A 279 11.220 8.195 -24.211 1.00 0.00 C ATOM 188 C ASN A 279 12.067 6.928 -24.297 1.00 0.00 C ATOM 189 O ASN A 279 11.824 5.957 -23.582 1.00 0.00 O ATOM 190 CB ASN A 279 9.748 7.848 -24.450 1.00 0.00 C ATOM 191 CG ASN A 279 8.888 9.103 -24.335 1.00 0.00 C ATOM 192 OD1 ASN A 279 9.397 10.267 -24.636 1.00 0.00 O flip ATOM 193 ND2 ASN A 279 7.716 9.021 -23.965 1.00 0.00 N flip ATOM 0 H ASN A 279 11.067 9.260 -26.012 1.00 0.00 H new ATOM 0 HA ASN A 279 11.334 8.625 -23.216 1.00 0.00 H new ATOM 0 HB2 ASN A 279 9.627 7.404 -25.438 1.00 0.00 H new ATOM 0 HB3 ASN A 279 9.419 7.105 -23.724 1.00 0.00 H new ATOM 0 HD21 ASN A 279 7.318 8.112 -23.730 1.00 0.00 H new ATOM 0 HD22 ASN A 279 7.144 9.862 -23.894 1.00 0.00 H new ATOM 200 N LYS A 280 13.061 6.944 -25.177 1.00 0.00 N ATOM 201 CA LYS A 280 13.935 5.788 -25.346 1.00 0.00 C ATOM 202 C LYS A 280 14.486 5.331 -24.003 1.00 0.00 C ATOM 203 O LYS A 280 14.824 4.160 -23.827 1.00 0.00 O ATOM 204 CB LYS A 280 15.103 6.139 -26.268 1.00 0.00 C ATOM 205 CG LYS A 280 15.961 4.892 -26.501 1.00 0.00 C ATOM 206 CD LYS A 280 17.154 5.250 -27.390 1.00 0.00 C ATOM 207 CE LYS A 280 18.098 6.185 -26.630 1.00 0.00 C ATOM 208 NZ LYS A 280 19.479 6.046 -27.175 1.00 0.00 N ATOM 0 H LYS A 280 13.281 7.737 -25.780 1.00 0.00 H new ATOM 0 HA LYS A 280 13.347 4.983 -25.787 1.00 0.00 H new ATOM 0 HB2 LYS A 280 14.729 6.519 -27.219 1.00 0.00 H new ATOM 0 HB3 LYS A 280 15.706 6.931 -25.824 1.00 0.00 H new ATOM 0 HG2 LYS A 280 16.311 4.495 -25.548 1.00 0.00 H new ATOM 0 HG3 LYS A 280 15.365 4.111 -26.972 1.00 0.00 H new ATOM 0 HD2 LYS A 280 17.684 4.345 -27.687 1.00 0.00 H new ATOM 0 HD3 LYS A 280 16.808 5.731 -28.305 1.00 0.00 H new ATOM 0 HE2 LYS A 280 17.760 7.217 -26.725 1.00 0.00 H new ATOM 0 HE3 LYS A 280 18.089 5.943 -25.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 20.121 6.681 -26.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 19.799 5.063 -27.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 19.481 6.297 -28.184 1.00 0.00 H new ATOM 222 N LYS A 281 14.590 6.261 -23.063 1.00 0.00 N ATOM 223 CA LYS A 281 15.124 5.936 -21.749 1.00 0.00 C ATOM 224 C LYS A 281 14.383 4.737 -21.170 1.00 0.00 C ATOM 225 O LYS A 281 14.973 3.900 -20.486 1.00 0.00 O ATOM 226 CB LYS A 281 14.967 7.136 -20.815 1.00 0.00 C ATOM 227 CG LYS A 281 15.434 8.407 -21.532 1.00 0.00 C ATOM 228 CD LYS A 281 16.807 8.173 -22.165 1.00 0.00 C ATOM 229 CE LYS A 281 17.408 9.515 -22.582 1.00 0.00 C ATOM 230 NZ LYS A 281 18.572 9.280 -23.481 1.00 0.00 N ATOM 0 H LYS A 281 14.315 7.236 -23.184 1.00 0.00 H new ATOM 0 HA LYS A 281 16.182 5.691 -21.846 1.00 0.00 H new ATOM 0 HB2 LYS A 281 13.925 7.239 -20.511 1.00 0.00 H new ATOM 0 HB3 LYS A 281 15.551 6.983 -19.907 1.00 0.00 H new ATOM 0 HG2 LYS A 281 14.713 8.688 -22.300 1.00 0.00 H new ATOM 0 HG3 LYS A 281 15.486 9.235 -20.825 1.00 0.00 H new ATOM 0 HD2 LYS A 281 17.466 7.671 -21.456 1.00 0.00 H new ATOM 0 HD3 LYS A 281 16.714 7.519 -23.032 1.00 0.00 H new ATOM 0 HE2 LYS A 281 16.657 10.119 -23.092 1.00 0.00 H new ATOM 0 HE3 LYS A 281 17.723 10.074 -21.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 18.981 10.193 -23.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 19.290 8.720 -22.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 18.258 8.763 -24.327 1.00 0.00 H new ATOM 244 N LEU A 282 13.090 4.653 -21.461 1.00 0.00 N ATOM 245 CA LEU A 282 12.280 3.541 -20.979 1.00 0.00 C ATOM 246 C LEU A 282 12.730 2.238 -21.633 1.00 0.00 C ATOM 247 O LEU A 282 12.667 1.170 -21.025 1.00 0.00 O ATOM 248 CB LEU A 282 10.802 3.793 -21.289 1.00 0.00 C ATOM 249 CG LEU A 282 10.229 4.796 -20.285 1.00 0.00 C ATOM 250 CD1 LEU A 282 10.915 6.153 -20.458 1.00 0.00 C ATOM 251 CD2 LEU A 282 8.725 4.957 -20.528 1.00 0.00 C ATOM 0 H LEU A 282 12.583 5.336 -22.024 1.00 0.00 H new ATOM 0 HA LEU A 282 12.409 3.459 -19.900 1.00 0.00 H new ATOM 0 HB2 LEU A 282 10.693 4.177 -22.303 1.00 0.00 H new ATOM 0 HB3 LEU A 282 10.245 2.857 -21.241 1.00 0.00 H new ATOM 0 HG LEU A 282 10.402 4.429 -19.273 1.00 0.00 H new ATOM 0 HD11 LEU A 282 10.503 6.863 -19.741 1.00 0.00 H new ATOM 0 HD12 LEU A 282 11.986 6.044 -20.286 1.00 0.00 H new ATOM 0 HD13 LEU A 282 10.745 6.520 -21.470 1.00 0.00 H new ATOM 0 HD21 LEU A 282 8.315 5.671 -19.814 1.00 0.00 H new ATOM 0 HD22 LEU A 282 8.557 5.321 -21.542 1.00 0.00 H new ATOM 0 HD23 LEU A 282 8.231 3.994 -20.402 1.00 0.00 H new ATOM 263 N ASP A 283 13.185 2.339 -22.879 1.00 0.00 N ATOM 264 CA ASP A 283 13.645 1.167 -23.616 1.00 0.00 C ATOM 265 C ASP A 283 15.090 0.836 -23.255 1.00 0.00 C ATOM 266 O ASP A 283 15.991 1.645 -23.475 1.00 0.00 O ATOM 267 CB ASP A 283 13.545 1.426 -25.121 1.00 0.00 C ATOM 268 CG ASP A 283 13.850 0.146 -25.890 1.00 0.00 C ATOM 269 OD1 ASP A 283 13.997 -0.884 -25.252 1.00 0.00 O ATOM 270 OD2 ASP A 283 13.933 0.213 -27.105 1.00 0.00 O ATOM 0 H ASP A 283 13.245 3.216 -23.397 1.00 0.00 H new ATOM 0 HA ASP A 283 13.012 0.322 -23.346 1.00 0.00 H new ATOM 0 HB2 ASP A 283 12.546 1.782 -25.372 1.00 0.00 H new ATOM 0 HB3 ASP A 283 14.244 2.210 -25.411 1.00 0.00 H new ATOM 275 N LEU A 284 15.310 -0.359 -22.719 1.00 0.00 N ATOM 276 CA LEU A 284 16.657 -0.777 -22.359 1.00 0.00 C ATOM 277 C LEU A 284 17.456 -1.029 -23.627 1.00 0.00 C ATOM 278 O LEU A 284 18.685 -0.959 -23.625 1.00 0.00 O ATOM 279 CB LEU A 284 16.622 -2.060 -21.519 1.00 0.00 C ATOM 280 CG LEU A 284 15.649 -1.900 -20.342 1.00 0.00 C ATOM 281 CD1 LEU A 284 15.901 -0.559 -19.651 1.00 0.00 C ATOM 282 CD2 LEU A 284 14.194 -1.958 -20.840 1.00 0.00 C ATOM 0 H LEU A 284 14.582 -1.047 -22.526 1.00 0.00 H new ATOM 0 HA LEU A 284 17.123 0.012 -21.769 1.00 0.00 H new ATOM 0 HB2 LEU A 284 16.316 -2.902 -22.141 1.00 0.00 H new ATOM 0 HB3 LEU A 284 17.621 -2.286 -21.146 1.00 0.00 H new ATOM 0 HG LEU A 284 15.812 -2.714 -19.635 1.00 0.00 H new ATOM 0 HD11 LEU A 284 15.211 -0.445 -18.815 1.00 0.00 H new ATOM 0 HD12 LEU A 284 16.926 -0.527 -19.282 1.00 0.00 H new ATOM 0 HD13 LEU A 284 15.746 0.252 -20.363 1.00 0.00 H new ATOM 0 HD21 LEU A 284 13.515 -1.843 -19.995 1.00 0.00 H new ATOM 0 HD22 LEU A 284 14.022 -1.154 -21.555 1.00 0.00 H new ATOM 0 HD23 LEU A 284 14.013 -2.918 -21.323 1.00 0.00 H new ATOM 294 N SER A 285 16.730 -1.346 -24.699 1.00 0.00 N ATOM 295 CA SER A 285 17.336 -1.638 -25.992 1.00 0.00 C ATOM 296 C SER A 285 17.550 -3.138 -26.117 1.00 0.00 C ATOM 297 O SER A 285 16.709 -3.930 -25.693 1.00 0.00 O ATOM 298 CB SER A 285 18.670 -0.905 -26.155 1.00 0.00 C ATOM 299 OG SER A 285 18.937 -0.723 -27.540 1.00 0.00 O ATOM 0 H SER A 285 15.712 -1.407 -24.693 1.00 0.00 H new ATOM 0 HA SER A 285 16.665 -1.292 -26.778 1.00 0.00 H new ATOM 0 HB2 SER A 285 18.633 0.060 -25.650 1.00 0.00 H new ATOM 0 HB3 SER A 285 19.472 -1.477 -25.690 1.00 0.00 H new ATOM 0 HG SER A 285 19.790 -0.252 -27.650 1.00 0.00 H new ATOM 305 N ASN A 286 18.681 -3.528 -26.683 1.00 0.00 N ATOM 306 CA ASN A 286 18.985 -4.943 -26.832 1.00 0.00 C ATOM 307 C ASN A 286 18.955 -5.622 -25.470 1.00 0.00 C ATOM 308 O ASN A 286 18.623 -6.803 -25.359 1.00 0.00 O ATOM 309 CB ASN A 286 20.364 -5.121 -27.472 1.00 0.00 C ATOM 310 CG ASN A 286 20.386 -4.471 -28.850 1.00 0.00 C ATOM 311 OD1 ASN A 286 21.333 -3.761 -29.188 1.00 0.00 O ATOM 312 ND2 ASN A 286 19.391 -4.670 -29.671 1.00 0.00 N ATOM 0 H ASN A 286 19.395 -2.895 -27.043 1.00 0.00 H new ATOM 0 HA ASN A 286 18.235 -5.400 -27.478 1.00 0.00 H new ATOM 0 HB2 ASN A 286 21.129 -4.674 -26.837 1.00 0.00 H new ATOM 0 HB3 ASN A 286 20.601 -6.182 -27.557 1.00 0.00 H new ATOM 0 HD21 ASN A 286 19.397 -4.237 -30.594 1.00 0.00 H new ATOM 0 HD22 ASN A 286 18.607 -5.259 -29.389 1.00 0.00 H new ATOM 319 N VAL A 287 19.299 -4.864 -24.433 1.00 0.00 N ATOM 320 CA VAL A 287 19.301 -5.395 -23.078 1.00 0.00 C ATOM 321 C VAL A 287 17.902 -5.858 -22.694 1.00 0.00 C ATOM 322 O VAL A 287 17.738 -6.816 -21.937 1.00 0.00 O ATOM 323 CB VAL A 287 19.780 -4.324 -22.097 1.00 0.00 C ATOM 324 CG1 VAL A 287 19.577 -4.816 -20.664 1.00 0.00 C ATOM 325 CG2 VAL A 287 21.266 -4.047 -22.333 1.00 0.00 C ATOM 0 H VAL A 287 19.578 -3.886 -24.506 1.00 0.00 H new ATOM 0 HA VAL A 287 19.980 -6.247 -23.036 1.00 0.00 H new ATOM 0 HB VAL A 287 19.208 -3.409 -22.251 1.00 0.00 H new ATOM 0 HG11 VAL A 287 19.919 -4.052 -19.965 1.00 0.00 H new ATOM 0 HG12 VAL A 287 18.519 -5.016 -20.494 1.00 0.00 H new ATOM 0 HG13 VAL A 287 20.149 -5.731 -20.509 1.00 0.00 H new ATOM 0 HG21 VAL A 287 21.609 -3.284 -21.635 1.00 0.00 H new ATOM 0 HG22 VAL A 287 21.836 -4.963 -22.178 1.00 0.00 H new ATOM 0 HG23 VAL A 287 21.413 -3.696 -23.355 1.00 0.00 H new ATOM 335 N GLN A 288 16.895 -5.172 -23.224 1.00 0.00 N ATOM 336 CA GLN A 288 15.510 -5.519 -22.935 1.00 0.00 C ATOM 337 C GLN A 288 15.265 -6.995 -23.205 1.00 0.00 C ATOM 338 O GLN A 288 14.579 -7.664 -22.433 1.00 0.00 O ATOM 339 CB GLN A 288 14.577 -4.684 -23.808 1.00 0.00 C ATOM 340 CG GLN A 288 13.126 -5.016 -23.469 1.00 0.00 C ATOM 341 CD GLN A 288 12.190 -4.084 -24.230 1.00 0.00 C ATOM 342 OE1 GLN A 288 12.682 -3.041 -24.841 1.00 0.00 O flip ATOM 343 NE2 GLN A 288 10.980 -4.306 -24.261 1.00 0.00 N flip ATOM 0 H GLN A 288 17.011 -4.377 -23.852 1.00 0.00 H new ATOM 0 HA GLN A 288 15.312 -5.313 -21.883 1.00 0.00 H new ATOM 0 HB2 GLN A 288 14.765 -3.622 -23.647 1.00 0.00 H new ATOM 0 HB3 GLN A 288 14.770 -4.886 -24.862 1.00 0.00 H new ATOM 0 HG2 GLN A 288 12.911 -6.053 -23.728 1.00 0.00 H new ATOM 0 HG3 GLN A 288 12.961 -4.915 -22.396 1.00 0.00 H new ATOM 0 HE21 GLN A 288 10.599 -5.122 -23.782 1.00 0.00 H new ATOM 0 HE22 GLN A 288 10.358 -3.674 -24.765 1.00 0.00 H new ATOM 352 N SER A 289 15.850 -7.481 -24.300 1.00 0.00 N ATOM 353 CA SER A 289 15.733 -8.883 -24.713 1.00 0.00 C ATOM 354 C SER A 289 14.663 -9.634 -23.924 1.00 0.00 C ATOM 355 O SER A 289 14.932 -10.694 -23.359 1.00 0.00 O ATOM 356 CB SER A 289 17.076 -9.574 -24.519 1.00 0.00 C ATOM 357 OG SER A 289 17.032 -10.867 -25.106 1.00 0.00 O ATOM 0 H SER A 289 16.420 -6.914 -24.928 1.00 0.00 H new ATOM 0 HA SER A 289 15.437 -8.895 -25.762 1.00 0.00 H new ATOM 0 HB2 SER A 289 17.870 -8.983 -24.975 1.00 0.00 H new ATOM 0 HB3 SER A 289 17.307 -9.653 -23.457 1.00 0.00 H new ATOM 0 HG SER A 289 16.343 -11.404 -24.663 1.00 0.00 H new ATOM 363 N LYS A 290 13.454 -9.084 -23.889 1.00 0.00 N ATOM 364 CA LYS A 290 12.362 -9.722 -23.165 1.00 0.00 C ATOM 365 C LYS A 290 12.732 -9.902 -21.696 1.00 0.00 C ATOM 366 O LYS A 290 12.751 -11.024 -21.186 1.00 0.00 O ATOM 367 CB LYS A 290 12.048 -11.082 -23.790 1.00 0.00 C ATOM 368 CG LYS A 290 11.650 -10.882 -25.253 1.00 0.00 C ATOM 369 CD LYS A 290 11.453 -12.241 -25.931 1.00 0.00 C ATOM 370 CE LYS A 290 10.158 -12.897 -25.438 1.00 0.00 C ATOM 371 NZ LYS A 290 9.042 -11.910 -25.492 1.00 0.00 N ATOM 0 H LYS A 290 13.207 -8.207 -24.348 1.00 0.00 H new ATOM 0 HA LYS A 290 11.481 -9.084 -23.229 1.00 0.00 H new ATOM 0 HB2 LYS A 290 12.917 -11.736 -23.723 1.00 0.00 H new ATOM 0 HB3 LYS A 290 11.240 -11.569 -23.244 1.00 0.00 H new ATOM 0 HG2 LYS A 290 10.730 -10.300 -25.312 1.00 0.00 H new ATOM 0 HG3 LYS A 290 12.421 -10.314 -25.774 1.00 0.00 H new ATOM 0 HD2 LYS A 290 11.415 -12.114 -27.013 1.00 0.00 H new ATOM 0 HD3 LYS A 290 12.302 -12.889 -25.716 1.00 0.00 H new ATOM 0 HE2 LYS A 290 9.920 -13.763 -26.055 1.00 0.00 H new ATOM 0 HE3 LYS A 290 10.288 -13.258 -24.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 8.148 -12.407 -25.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 8.977 -11.409 -24.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 9.222 -11.224 -26.253 1.00 0.00 H new ATOM 385 N CYS A 291 13.032 -8.796 -21.023 1.00 0.00 N ATOM 386 CA CYS A 291 13.409 -8.856 -19.616 1.00 0.00 C ATOM 387 C CYS A 291 12.579 -9.909 -18.891 1.00 0.00 C ATOM 388 O CYS A 291 13.065 -10.581 -17.981 1.00 0.00 O ATOM 389 CB CYS A 291 13.190 -7.492 -18.957 1.00 0.00 C ATOM 390 SG CYS A 291 14.338 -6.287 -19.665 1.00 0.00 S ATOM 0 H CYS A 291 13.022 -7.858 -21.423 1.00 0.00 H new ATOM 0 HA CYS A 291 14.463 -9.125 -19.550 1.00 0.00 H new ATOM 0 HB2 CYS A 291 12.162 -7.164 -19.110 1.00 0.00 H new ATOM 0 HB3 CYS A 291 13.344 -7.568 -17.881 1.00 0.00 H new ATOM 0 HG CYS A 291 14.778 -6.726 -20.807 1.00 0.00 H new ATOM 396 N GLY A 292 11.324 -10.054 -19.308 1.00 0.00 N ATOM 397 CA GLY A 292 10.429 -11.036 -18.705 1.00 0.00 C ATOM 398 C GLY A 292 9.623 -11.753 -19.783 1.00 0.00 C ATOM 399 O GLY A 292 9.314 -12.938 -19.660 1.00 0.00 O ATOM 0 H GLY A 292 10.905 -9.505 -20.059 1.00 0.00 H new ATOM 0 HA2 GLY A 292 11.007 -11.761 -18.132 1.00 0.00 H new ATOM 0 HA3 GLY A 292 9.754 -10.542 -18.006 1.00 0.00 H new ATOM 403 N SER A 293 9.289 -11.019 -20.840 1.00 0.00 N ATOM 404 CA SER A 293 8.520 -11.581 -21.945 1.00 0.00 C ATOM 405 C SER A 293 8.145 -10.483 -22.937 1.00 0.00 C ATOM 406 O SER A 293 7.329 -10.696 -23.832 1.00 0.00 O ATOM 407 CB SER A 293 7.252 -12.249 -21.413 1.00 0.00 C ATOM 408 OG SER A 293 6.210 -12.109 -22.371 1.00 0.00 O ATOM 0 H SER A 293 9.538 -10.037 -20.955 1.00 0.00 H new ATOM 0 HA SER A 293 9.132 -12.326 -22.454 1.00 0.00 H new ATOM 0 HB2 SER A 293 7.439 -13.304 -21.214 1.00 0.00 H new ATOM 0 HB3 SER A 293 6.956 -11.794 -20.468 1.00 0.00 H new ATOM 0 HG SER A 293 6.598 -12.041 -23.268 1.00 0.00 H new ATOM 414 N LYS A 294 8.738 -9.305 -22.744 1.00 0.00 N ATOM 415 CA LYS A 294 8.472 -8.150 -23.593 1.00 0.00 C ATOM 416 C LYS A 294 7.352 -7.341 -22.965 1.00 0.00 C ATOM 417 O LYS A 294 7.464 -6.127 -22.792 1.00 0.00 O ATOM 418 CB LYS A 294 8.080 -8.583 -25.009 1.00 0.00 C ATOM 419 CG LYS A 294 8.415 -7.465 -26.004 1.00 0.00 C ATOM 420 CD LYS A 294 9.896 -7.547 -26.401 1.00 0.00 C ATOM 421 CE LYS A 294 10.176 -6.552 -27.529 1.00 0.00 C ATOM 422 NZ LYS A 294 9.858 -5.172 -27.064 1.00 0.00 N ATOM 0 H LYS A 294 9.412 -9.128 -21.999 1.00 0.00 H new ATOM 0 HA LYS A 294 9.376 -7.546 -23.673 1.00 0.00 H new ATOM 0 HB2 LYS A 294 8.611 -9.495 -25.280 1.00 0.00 H new ATOM 0 HB3 LYS A 294 7.015 -8.810 -25.048 1.00 0.00 H new ATOM 0 HG2 LYS A 294 7.786 -7.554 -26.890 1.00 0.00 H new ATOM 0 HG3 LYS A 294 8.202 -6.493 -25.558 1.00 0.00 H new ATOM 0 HD2 LYS A 294 10.527 -7.325 -25.541 1.00 0.00 H new ATOM 0 HD3 LYS A 294 10.142 -8.559 -26.724 1.00 0.00 H new ATOM 0 HE2 LYS A 294 11.221 -6.614 -27.832 1.00 0.00 H new ATOM 0 HE3 LYS A 294 9.576 -6.800 -28.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 9.072 -4.788 -27.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 9.585 -5.198 -26.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 10.695 -4.565 -27.179 1.00 0.00 H new ATOM 436 N ASP A 295 6.286 -8.035 -22.585 1.00 0.00 N ATOM 437 CA ASP A 295 5.166 -7.384 -21.931 1.00 0.00 C ATOM 438 C ASP A 295 5.609 -6.897 -20.555 1.00 0.00 C ATOM 439 O ASP A 295 5.016 -5.987 -19.975 1.00 0.00 O ATOM 440 CB ASP A 295 3.989 -8.355 -21.799 1.00 0.00 C ATOM 441 CG ASP A 295 4.373 -9.549 -20.929 1.00 0.00 C ATOM 442 OD1 ASP A 295 5.408 -9.486 -20.290 1.00 0.00 O ATOM 443 OD2 ASP A 295 3.623 -10.510 -20.915 1.00 0.00 O ATOM 0 H ASP A 295 6.177 -9.040 -22.719 1.00 0.00 H new ATOM 0 HA ASP A 295 4.839 -6.534 -22.530 1.00 0.00 H new ATOM 0 HB2 ASP A 295 3.133 -7.840 -21.362 1.00 0.00 H new ATOM 0 HB3 ASP A 295 3.683 -8.701 -22.786 1.00 0.00 H new ATOM 448 N ASN A 296 6.659 -7.535 -20.045 1.00 0.00 N ATOM 449 CA ASN A 296 7.209 -7.210 -18.737 1.00 0.00 C ATOM 450 C ASN A 296 7.574 -5.733 -18.626 1.00 0.00 C ATOM 451 O ASN A 296 7.419 -5.137 -17.572 1.00 0.00 O ATOM 452 CB ASN A 296 8.455 -8.059 -18.501 1.00 0.00 C ATOM 453 CG ASN A 296 8.827 -8.057 -17.023 1.00 0.00 C ATOM 454 OD1 ASN A 296 7.949 -8.067 -16.162 1.00 0.00 O ATOM 455 ND2 ASN A 296 10.085 -8.048 -16.676 1.00 0.00 N ATOM 0 H ASN A 296 7.149 -8.289 -20.527 1.00 0.00 H new ATOM 0 HA ASN A 296 6.449 -7.421 -17.985 1.00 0.00 H new ATOM 0 HB2 ASN A 296 8.276 -9.081 -18.836 1.00 0.00 H new ATOM 0 HB3 ASN A 296 9.285 -7.671 -19.092 1.00 0.00 H new ATOM 0 HD21 ASN A 296 10.342 -8.049 -15.689 1.00 0.00 H new ATOM 0 HD22 ASN A 296 10.811 -8.040 -17.392 1.00 0.00 H new ATOM 462 N ILE A 297 8.064 -5.141 -19.704 1.00 0.00 N ATOM 463 CA ILE A 297 8.432 -3.730 -19.657 1.00 0.00 C ATOM 464 C ILE A 297 7.189 -2.881 -19.387 1.00 0.00 C ATOM 465 O ILE A 297 7.253 -1.851 -18.719 1.00 0.00 O ATOM 466 CB ILE A 297 9.095 -3.328 -20.982 1.00 0.00 C ATOM 467 CG1 ILE A 297 10.047 -2.140 -20.763 1.00 0.00 C ATOM 468 CG2 ILE A 297 8.031 -2.954 -22.020 1.00 0.00 C ATOM 469 CD1 ILE A 297 9.297 -0.933 -20.190 1.00 0.00 C ATOM 0 H ILE A 297 8.214 -5.600 -20.603 1.00 0.00 H new ATOM 0 HA ILE A 297 9.144 -3.561 -18.849 1.00 0.00 H new ATOM 0 HB ILE A 297 9.667 -4.179 -21.352 1.00 0.00 H new ATOM 0 HG12 ILE A 297 10.847 -2.432 -20.083 1.00 0.00 H new ATOM 0 HG13 ILE A 297 10.516 -1.866 -21.708 1.00 0.00 H new ATOM 0 HG21 ILE A 297 8.517 -2.671 -22.954 1.00 0.00 H new ATOM 0 HG22 ILE A 297 7.377 -3.809 -22.195 1.00 0.00 H new ATOM 0 HG23 ILE A 297 7.441 -2.116 -21.650 1.00 0.00 H new ATOM 0 HD11 ILE A 297 9.994 -0.107 -20.045 1.00 0.00 H new ATOM 0 HD12 ILE A 297 8.513 -0.629 -20.884 1.00 0.00 H new ATOM 0 HD13 ILE A 297 8.850 -1.203 -19.233 1.00 0.00 H new ATOM 481 N LYS A 298 6.056 -3.337 -19.907 1.00 0.00 N ATOM 482 CA LYS A 298 4.791 -2.631 -19.723 1.00 0.00 C ATOM 483 C LYS A 298 3.929 -3.303 -18.660 1.00 0.00 C ATOM 484 O LYS A 298 2.729 -3.496 -18.855 1.00 0.00 O ATOM 485 CB LYS A 298 4.034 -2.573 -21.050 1.00 0.00 C ATOM 486 CG LYS A 298 3.833 -3.989 -21.588 1.00 0.00 C ATOM 487 CD LYS A 298 3.138 -3.912 -22.955 1.00 0.00 C ATOM 488 CE LYS A 298 2.695 -5.309 -23.415 1.00 0.00 C ATOM 489 NZ LYS A 298 3.670 -5.834 -24.413 1.00 0.00 N ATOM 0 H LYS A 298 5.986 -4.192 -20.459 1.00 0.00 H new ATOM 0 HA LYS A 298 5.013 -1.619 -19.384 1.00 0.00 H new ATOM 0 HB2 LYS A 298 3.069 -2.086 -20.909 1.00 0.00 H new ATOM 0 HB3 LYS A 298 4.590 -1.975 -21.772 1.00 0.00 H new ATOM 0 HG2 LYS A 298 4.794 -4.495 -21.682 1.00 0.00 H new ATOM 0 HG3 LYS A 298 3.231 -4.574 -20.892 1.00 0.00 H new ATOM 0 HD2 LYS A 298 2.273 -3.252 -22.892 1.00 0.00 H new ATOM 0 HD3 LYS A 298 3.816 -3.479 -23.690 1.00 0.00 H new ATOM 0 HE2 LYS A 298 2.634 -5.983 -22.560 1.00 0.00 H new ATOM 0 HE3 LYS A 298 1.699 -5.260 -23.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 3.767 -6.863 -24.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 3.330 -5.625 -25.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 4.594 -5.381 -24.267 1.00 0.00 H new ATOM 503 N HIS A 299 4.544 -3.650 -17.532 1.00 0.00 N ATOM 504 CA HIS A 299 3.819 -4.291 -16.434 1.00 0.00 C ATOM 505 C HIS A 299 3.729 -3.351 -15.232 1.00 0.00 C ATOM 506 O HIS A 299 4.722 -2.743 -14.833 1.00 0.00 O ATOM 507 CB HIS A 299 4.542 -5.561 -16.023 1.00 0.00 C ATOM 508 CG HIS A 299 5.920 -5.201 -15.570 1.00 0.00 C ATOM 509 ND1 HIS A 299 6.485 -3.958 -15.815 1.00 0.00 N ATOM 510 CD2 HIS A 299 6.872 -5.925 -14.924 1.00 0.00 C ATOM 511 CE1 HIS A 299 7.738 -3.983 -15.325 1.00 0.00 C ATOM 512 NE2 HIS A 299 8.025 -5.161 -14.766 1.00 0.00 N ATOM 0 H HIS A 299 5.537 -3.500 -17.353 1.00 0.00 H new ATOM 0 HA HIS A 299 2.811 -4.530 -16.773 1.00 0.00 H new ATOM 0 HB2 HIS A 299 3.999 -6.062 -15.222 1.00 0.00 H new ATOM 0 HB3 HIS A 299 4.589 -6.257 -16.860 1.00 0.00 H new ATOM 0 HD2 HIS A 299 6.752 -6.943 -14.584 1.00 0.00 H new ATOM 0 HE1 HIS A 299 8.427 -3.153 -15.377 1.00 0.00 H new ATOM 0 HE2 HIS A 299 8.899 -5.440 -14.320 1.00 0.00 H new ATOM 521 N VAL A 300 2.527 -3.230 -14.668 1.00 0.00 N ATOM 522 CA VAL A 300 2.315 -2.352 -13.522 1.00 0.00 C ATOM 523 C VAL A 300 3.546 -2.338 -12.622 1.00 0.00 C ATOM 524 O VAL A 300 4.057 -1.270 -12.282 1.00 0.00 O ATOM 525 CB VAL A 300 1.081 -2.799 -12.734 1.00 0.00 C ATOM 526 CG1 VAL A 300 1.050 -2.085 -11.380 1.00 0.00 C ATOM 527 CG2 VAL A 300 -0.174 -2.434 -13.530 1.00 0.00 C ATOM 0 H VAL A 300 1.693 -3.725 -14.984 1.00 0.00 H new ATOM 0 HA VAL A 300 2.147 -1.339 -13.888 1.00 0.00 H new ATOM 0 HB VAL A 300 1.118 -3.876 -12.571 1.00 0.00 H new ATOM 0 HG11 VAL A 300 0.171 -2.404 -10.820 1.00 0.00 H new ATOM 0 HG12 VAL A 300 1.949 -2.334 -10.817 1.00 0.00 H new ATOM 0 HG13 VAL A 300 1.008 -1.007 -11.538 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -1.059 -2.748 -12.977 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -0.206 -1.355 -13.684 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -0.151 -2.938 -14.496 1.00 0.00 H new ATOM 537 N PRO A 301 4.055 -3.487 -12.259 1.00 0.00 N ATOM 538 CA PRO A 301 5.281 -3.545 -11.414 1.00 0.00 C ATOM 539 C PRO A 301 6.448 -2.869 -12.127 1.00 0.00 C ATOM 540 O PRO A 301 7.273 -3.527 -12.759 1.00 0.00 O ATOM 541 CB PRO A 301 5.532 -5.052 -11.209 1.00 0.00 C ATOM 542 CG PRO A 301 4.611 -5.746 -12.155 1.00 0.00 C ATOM 543 CD PRO A 301 3.434 -4.812 -12.332 1.00 0.00 C ATOM 0 HA PRO A 301 5.170 -3.023 -10.464 1.00 0.00 H new ATOM 0 HB2 PRO A 301 6.571 -5.308 -11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 301 5.330 -5.346 -10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 301 5.102 -5.943 -13.108 1.00 0.00 H new ATOM 0 HG3 PRO A 301 4.291 -6.709 -11.756 1.00 0.00 H new ATOM 0 HD2 PRO A 301 2.932 -4.971 -13.286 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.686 -4.952 -11.551 1.00 0.00 H new ATOM 551 N GLY A 302 6.489 -1.542 -12.035 1.00 0.00 N ATOM 552 CA GLY A 302 7.536 -0.763 -12.689 1.00 0.00 C ATOM 553 C GLY A 302 6.977 -0.027 -13.906 1.00 0.00 C ATOM 554 O GLY A 302 7.706 0.675 -14.607 1.00 0.00 O ATOM 0 H GLY A 302 5.811 -0.985 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 302 7.957 -0.045 -11.985 1.00 0.00 H new ATOM 0 HA3 GLY A 302 8.348 -1.421 -12.997 1.00 0.00 H new ATOM 558 N GLY A 303 5.673 -0.185 -14.146 1.00 0.00 N ATOM 559 CA GLY A 303 5.017 0.477 -15.274 1.00 0.00 C ATOM 560 C GLY A 303 4.318 -0.530 -16.186 1.00 0.00 C ATOM 561 O GLY A 303 4.950 -1.440 -16.721 1.00 0.00 O ATOM 0 H GLY A 303 5.054 -0.763 -13.577 1.00 0.00 H new ATOM 0 HA2 GLY A 303 4.289 1.198 -14.901 1.00 0.00 H new ATOM 0 HA3 GLY A 303 5.755 1.037 -15.848 1.00 0.00 H new ATOM 565 N GLY A 304 3.008 -0.353 -16.364 1.00 0.00 N ATOM 566 CA GLY A 304 2.234 -1.249 -17.221 1.00 0.00 C ATOM 567 C GLY A 304 0.738 -0.988 -17.091 1.00 0.00 C ATOM 568 O GLY A 304 0.316 -0.036 -16.436 1.00 0.00 O ATOM 0 H GLY A 304 2.466 0.395 -15.931 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.539 -1.116 -18.259 1.00 0.00 H new ATOM 0 HA3 GLY A 304 2.449 -2.284 -16.956 1.00 0.00 H new ATOM 572 N SER A 305 -0.055 -1.852 -17.718 1.00 0.00 N ATOM 573 CA SER A 305 -1.506 -1.721 -17.667 1.00 0.00 C ATOM 574 C SER A 305 -2.068 -2.426 -16.437 1.00 0.00 C ATOM 575 O SER A 305 -2.378 -1.788 -15.431 1.00 0.00 O ATOM 576 CB SER A 305 -2.128 -2.320 -18.928 1.00 0.00 C ATOM 577 OG SER A 305 -1.490 -1.771 -20.074 1.00 0.00 O ATOM 0 H SER A 305 0.281 -2.645 -18.264 1.00 0.00 H new ATOM 0 HA SER A 305 -1.753 -0.661 -17.607 1.00 0.00 H new ATOM 0 HB2 SER A 305 -2.018 -3.404 -18.921 1.00 0.00 H new ATOM 0 HB3 SER A 305 -3.197 -2.108 -18.956 1.00 0.00 H new ATOM 0 HG SER A 305 -1.886 -2.155 -20.884 1.00 0.00 H new ATOM 583 N VAL A 306 -2.197 -3.750 -16.526 1.00 0.00 N ATOM 584 CA VAL A 306 -2.726 -4.542 -15.418 1.00 0.00 C ATOM 585 C VAL A 306 -2.760 -6.022 -15.792 1.00 0.00 C ATOM 586 O VAL A 306 -3.299 -6.847 -15.055 1.00 0.00 O ATOM 587 CB VAL A 306 -4.141 -4.068 -15.066 1.00 0.00 C ATOM 588 CG1 VAL A 306 -5.005 -4.055 -16.330 1.00 0.00 C ATOM 589 CG2 VAL A 306 -4.761 -5.014 -14.031 1.00 0.00 C ATOM 0 H VAL A 306 -1.943 -4.294 -17.351 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.075 -4.410 -14.554 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.091 -3.062 -14.649 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -6.011 -3.718 -16.080 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.567 -3.377 -17.063 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -5.053 -5.060 -16.748 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -5.767 -4.674 -13.783 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -4.810 -6.022 -14.443 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.148 -5.020 -13.130 1.00 0.00 H new ATOM 599 N GLN A 307 -2.184 -6.351 -16.943 1.00 0.00 N ATOM 600 CA GLN A 307 -2.161 -7.734 -17.407 1.00 0.00 C ATOM 601 C GLN A 307 -1.593 -8.657 -16.333 1.00 0.00 C ATOM 602 O GLN A 307 -2.131 -9.734 -16.079 1.00 0.00 O ATOM 603 CB GLN A 307 -1.314 -7.837 -18.677 1.00 0.00 C ATOM 604 CG GLN A 307 -0.017 -7.044 -18.491 1.00 0.00 C ATOM 605 CD GLN A 307 0.845 -7.150 -19.744 1.00 0.00 C ATOM 606 OE1 GLN A 307 1.760 -6.248 -19.972 1.00 0.00 O flip ATOM 607 NE2 GLN A 307 0.679 -8.076 -20.538 1.00 0.00 N flip ATOM 0 H GLN A 307 -1.730 -5.685 -17.568 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.184 -8.044 -17.623 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -1.087 -8.881 -18.892 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -1.870 -7.450 -19.531 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.247 -5.999 -18.286 1.00 0.00 H new ATOM 0 HG3 GLN A 307 0.531 -7.425 -17.629 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -0.037 -8.780 -20.358 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.257 -8.139 -21.376 1.00 0.00 H new ATOM 616 N ILE A 308 -0.505 -8.226 -15.699 1.00 0.00 N ATOM 617 CA ILE A 308 0.125 -9.018 -14.646 1.00 0.00 C ATOM 618 C ILE A 308 0.382 -8.144 -13.422 1.00 0.00 C ATOM 619 O ILE A 308 0.275 -6.919 -13.496 1.00 0.00 O ATOM 620 CB ILE A 308 1.436 -9.623 -15.154 1.00 0.00 C ATOM 621 CG1 ILE A 308 2.481 -8.517 -15.354 1.00 0.00 C ATOM 622 CG2 ILE A 308 1.182 -10.320 -16.494 1.00 0.00 C ATOM 623 CD1 ILE A 308 3.115 -8.117 -14.011 1.00 0.00 C ATOM 0 H ILE A 308 -0.043 -7.338 -15.895 1.00 0.00 H new ATOM 0 HA ILE A 308 -0.545 -9.830 -14.363 1.00 0.00 H new ATOM 0 HB ILE A 308 1.807 -10.341 -14.423 1.00 0.00 H new ATOM 0 HG12 ILE A 308 3.256 -8.862 -16.039 1.00 0.00 H new ATOM 0 HG13 ILE A 308 2.013 -7.647 -15.814 1.00 0.00 H new ATOM 0 HG21 ILE A 308 2.113 -10.753 -16.861 1.00 0.00 H new ATOM 0 HG22 ILE A 308 0.443 -11.110 -16.359 1.00 0.00 H new ATOM 0 HG23 ILE A 308 0.810 -9.594 -17.217 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.853 -7.332 -14.176 1.00 0.00 H new ATOM 0 HD12 ILE A 308 2.340 -7.751 -13.338 1.00 0.00 H new ATOM 0 HD13 ILE A 308 3.602 -8.985 -13.566 1.00 0.00 H new ATOM 635 N VAL A 309 0.716 -8.769 -12.297 1.00 0.00 N ATOM 636 CA VAL A 309 0.975 -8.017 -11.077 1.00 0.00 C ATOM 637 C VAL A 309 1.765 -8.850 -10.072 1.00 0.00 C ATOM 638 O VAL A 309 2.155 -8.350 -9.017 1.00 0.00 O ATOM 639 CB VAL A 309 -0.348 -7.575 -10.448 1.00 0.00 C ATOM 640 CG1 VAL A 309 -1.117 -8.804 -9.961 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.064 -6.649 -9.262 1.00 0.00 C ATOM 0 H VAL A 309 0.812 -9.780 -12.206 1.00 0.00 H new ATOM 0 HA VAL A 309 1.569 -7.142 -11.340 1.00 0.00 H new ATOM 0 HB VAL A 309 -0.944 -7.044 -11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -2.060 -8.489 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -1.319 -9.465 -10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -0.522 -9.335 -9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.006 -6.333 -8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 309 0.532 -7.181 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 309 0.485 -5.773 -9.608 1.00 0.00 H new ATOM 651 N TYR A 310 2.004 -10.119 -10.397 1.00 0.00 N ATOM 652 CA TYR A 310 2.756 -10.983 -9.492 1.00 0.00 C ATOM 653 C TYR A 310 4.086 -10.320 -9.146 1.00 0.00 C ATOM 654 O TYR A 310 4.827 -10.793 -8.284 1.00 0.00 O ATOM 655 CB TYR A 310 3.001 -12.369 -10.125 1.00 0.00 C ATOM 656 CG TYR A 310 2.282 -12.475 -11.447 1.00 0.00 C ATOM 657 CD1 TYR A 310 0.885 -12.412 -11.496 1.00 0.00 C ATOM 658 CD2 TYR A 310 3.017 -12.644 -12.626 1.00 0.00 C ATOM 659 CE1 TYR A 310 0.222 -12.518 -12.726 1.00 0.00 C ATOM 660 CE2 TYR A 310 2.356 -12.751 -13.854 1.00 0.00 C ATOM 661 CZ TYR A 310 0.959 -12.688 -13.904 1.00 0.00 C ATOM 662 OH TYR A 310 0.306 -12.794 -15.116 1.00 0.00 O ATOM 0 H TYR A 310 1.695 -10.564 -11.261 1.00 0.00 H new ATOM 0 HA TYR A 310 2.173 -11.128 -8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 310 4.070 -12.526 -10.271 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.653 -13.151 -9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 310 0.318 -12.282 -10.586 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.095 -12.692 -12.588 1.00 0.00 H new ATOM 0 HE1 TYR A 310 -0.856 -12.469 -12.765 1.00 0.00 H new ATOM 0 HE2 TYR A 310 2.924 -12.882 -14.763 1.00 0.00 H new ATOM 0 HH TYR A 310 -0.622 -12.497 -15.014 1.00 0.00 H new ATOM 672 N LYS A 311 4.376 -9.219 -9.831 1.00 0.00 N ATOM 673 CA LYS A 311 5.611 -8.486 -9.601 1.00 0.00 C ATOM 674 C LYS A 311 6.817 -9.299 -10.066 1.00 0.00 C ATOM 675 O LYS A 311 7.664 -9.687 -9.261 1.00 0.00 O ATOM 676 CB LYS A 311 5.755 -8.159 -8.113 1.00 0.00 C ATOM 677 CG LYS A 311 6.710 -6.977 -7.937 1.00 0.00 C ATOM 678 CD LYS A 311 7.274 -6.985 -6.515 1.00 0.00 C ATOM 679 CE LYS A 311 6.121 -6.937 -5.509 1.00 0.00 C ATOM 680 NZ LYS A 311 6.637 -6.505 -4.180 1.00 0.00 N ATOM 0 H LYS A 311 3.773 -8.817 -10.548 1.00 0.00 H new ATOM 0 HA LYS A 311 5.572 -7.560 -10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 311 4.781 -7.919 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 311 6.133 -9.028 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 311 7.521 -7.040 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 311 6.185 -6.040 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 311 7.873 -7.881 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 311 7.934 -6.130 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 311 5.352 -6.246 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 311 5.654 -7.919 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 5.853 -6.473 -3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 7.356 -7.181 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 7.063 -5.560 -4.263 1.00 0.00 H new ATOM 694 N PRO A 312 6.905 -9.557 -11.343 1.00 0.00 N ATOM 695 CA PRO A 312 8.033 -10.338 -11.927 1.00 0.00 C ATOM 696 C PRO A 312 9.389 -9.864 -11.411 1.00 0.00 C ATOM 697 O PRO A 312 9.841 -8.824 -11.861 1.00 0.00 O ATOM 698 CB PRO A 312 7.898 -10.086 -13.427 1.00 0.00 C ATOM 699 CG PRO A 312 6.443 -9.846 -13.650 1.00 0.00 C ATOM 700 CD PRO A 312 5.906 -9.207 -12.368 1.00 0.00 C ATOM 701 OXT PRO A 312 9.954 -10.549 -10.574 1.00 0.00 O ATOM 0 HA PRO A 312 7.987 -11.394 -11.660 1.00 0.00 H new ATOM 0 HB2 PRO A 312 8.492 -9.226 -13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 312 8.250 -10.941 -14.004 1.00 0.00 H new ATOM 0 HG2 PRO A 312 6.285 -9.190 -14.506 1.00 0.00 H new ATOM 0 HG3 PRO A 312 5.924 -10.780 -13.864 1.00 0.00 H new ATOM 0 HD2 PRO A 312 5.805 -8.127 -12.473 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.920 -9.595 -12.112 1.00 0.00 H new TER 709 PRO A 312