USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 327 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 Single : A 265 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 SER OG : rot 180:sc= 0.124 USER MOD Single : A 272 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.4!) USER MOD Single : A 273 LYS NZ :NH3+ -111:sc= -0.174 (180deg=-1.33!) USER MOD Single : A 278 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0816) USER MOD Single : A 279 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 280 MET CE :methyl -134:sc= -1.26 (180deg=-2.8!) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 TYR OH : rot 180:sc= -0.448 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ -145:sc= -0.261 (180deg=-1.57!) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 300 LYS NZ :NH3+ -120:sc= -0.0424 (180deg=-0.395) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 264 -9.702 -7.957 -8.456 1.00 0.00 N ATOM 2 CA ILE A 264 -11.120 -7.722 -8.060 1.00 0.00 C ATOM 3 C ILE A 264 -11.276 -6.324 -7.454 1.00 0.00 C ATOM 4 O ILE A 264 -12.231 -6.042 -6.757 1.00 0.00 O ATOM 5 CB ILE A 264 -11.422 -8.796 -7.015 1.00 0.00 C ATOM 6 CG1 ILE A 264 -10.419 -8.682 -5.864 1.00 0.00 C ATOM 7 CG2 ILE A 264 -11.305 -10.180 -7.656 1.00 0.00 C ATOM 8 CD1 ILE A 264 -11.042 -9.243 -4.585 1.00 0.00 C ATOM 0 HA ILE A 264 -11.801 -7.777 -8.910 1.00 0.00 H new ATOM 0 HB ILE A 264 -12.433 -8.657 -6.633 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -9.508 -9.228 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -10.136 -7.640 -5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -11.520 -10.946 -6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -12.017 -10.262 -8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -10.294 -10.320 -8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -10.327 -9.161 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -11.941 -8.677 -4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -11.302 -10.291 -4.736 1.00 0.00 H new ATOM 22 N THR A 265 -10.345 -5.448 -7.713 1.00 0.00 N ATOM 23 CA THR A 265 -10.441 -4.070 -7.152 1.00 0.00 C ATOM 24 C THR A 265 -11.807 -3.460 -7.477 1.00 0.00 C ATOM 25 O THR A 265 -12.104 -3.151 -8.614 1.00 0.00 O ATOM 26 CB THR A 265 -9.325 -3.284 -7.840 1.00 0.00 C ATOM 27 OG1 THR A 265 -9.513 -1.895 -7.606 1.00 0.00 O ATOM 28 CG2 THR A 265 -9.357 -3.557 -9.345 1.00 0.00 C ATOM 0 H THR A 265 -9.522 -5.626 -8.289 1.00 0.00 H new ATOM 0 HA THR A 265 -10.339 -4.058 -6.067 1.00 0.00 H new ATOM 0 HB THR A 265 -8.361 -3.595 -7.437 1.00 0.00 H new ATOM 0 HG1 THR A 265 -8.797 -1.389 -8.045 1.00 0.00 H new ATOM 0 HG21 THR A 265 -8.561 -2.996 -9.834 1.00 0.00 H new ATOM 0 HG22 THR A 265 -9.213 -4.622 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 265 -10.320 -3.248 -9.750 1.00 0.00 H new ATOM 36 N GLY A 266 -12.641 -3.286 -6.489 1.00 0.00 N ATOM 37 CA GLY A 266 -13.986 -2.697 -6.744 1.00 0.00 C ATOM 38 C GLY A 266 -14.393 -1.816 -5.562 1.00 0.00 C ATOM 39 O GLY A 266 -14.952 -0.750 -5.735 1.00 0.00 O ATOM 0 H GLY A 266 -12.449 -3.526 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 266 -13.968 -2.108 -7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 266 -14.720 -3.490 -6.889 1.00 0.00 H new ATOM 43 N ASP A 267 -14.119 -2.250 -4.363 1.00 0.00 N ATOM 44 CA ASP A 267 -14.493 -1.434 -3.172 1.00 0.00 C ATOM 45 C ASP A 267 -13.741 -0.100 -3.186 1.00 0.00 C ATOM 46 O ASP A 267 -12.742 0.054 -3.860 1.00 0.00 O ATOM 47 CB ASP A 267 -14.070 -2.274 -1.966 1.00 0.00 C ATOM 48 CG ASP A 267 -15.289 -2.550 -1.084 1.00 0.00 C ATOM 49 OD1 ASP A 267 -16.142 -3.312 -1.508 1.00 0.00 O ATOM 50 OD2 ASP A 267 -15.348 -1.994 0.000 1.00 0.00 O ATOM 0 H ASP A 267 -13.653 -3.133 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 267 -15.557 -1.199 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 267 -13.629 -3.213 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 267 -13.305 -1.749 -1.394 1.00 0.00 H new ATOM 55 N VAL A 268 -14.218 0.867 -2.451 1.00 0.00 N ATOM 56 CA VAL A 268 -13.545 2.189 -2.420 1.00 0.00 C ATOM 57 C VAL A 268 -12.285 2.131 -1.553 1.00 0.00 C ATOM 58 O VAL A 268 -11.820 1.071 -1.181 1.00 0.00 O ATOM 59 CB VAL A 268 -14.582 3.115 -1.796 1.00 0.00 C ATOM 60 CG1 VAL A 268 -15.800 3.215 -2.715 1.00 0.00 C ATOM 61 CG2 VAL A 268 -15.013 2.556 -0.438 1.00 0.00 C ATOM 0 H VAL A 268 -15.051 0.794 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 268 -13.224 2.521 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 268 -14.148 4.106 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 268 -16.540 3.878 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 268 -15.494 3.614 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 268 -16.235 2.225 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 268 -15.755 3.218 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 268 -15.446 1.565 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 268 -14.146 2.487 0.219 1.00 0.00 H new ATOM 71 N SER A 269 -11.732 3.267 -1.230 1.00 0.00 N ATOM 72 CA SER A 269 -10.503 3.287 -0.387 1.00 0.00 C ATOM 73 C SER A 269 -10.635 2.277 0.754 1.00 0.00 C ATOM 74 O SER A 269 -9.667 1.684 1.184 1.00 0.00 O ATOM 75 CB SER A 269 -10.413 4.712 0.165 1.00 0.00 C ATOM 76 OG SER A 269 -11.577 5.442 -0.204 1.00 0.00 O ATOM 0 H SER A 269 -12.078 4.184 -1.514 1.00 0.00 H new ATOM 0 HA SER A 269 -9.611 3.018 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 269 -10.316 4.687 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 269 -9.523 5.207 -0.223 1.00 0.00 H new ATOM 0 HG SER A 269 -11.518 6.353 0.152 1.00 0.00 H new ATOM 82 N ALA A 270 -11.829 2.076 1.247 1.00 0.00 N ATOM 83 CA ALA A 270 -12.023 1.102 2.356 1.00 0.00 C ATOM 84 C ALA A 270 -11.197 -0.160 2.097 1.00 0.00 C ATOM 85 O ALA A 270 -10.338 -0.523 2.876 1.00 0.00 O ATOM 86 CB ALA A 270 -13.518 0.778 2.344 1.00 0.00 C ATOM 0 H ALA A 270 -12.677 2.545 0.928 1.00 0.00 H new ATOM 0 HA ALA A 270 -11.702 1.501 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 270 -13.742 0.063 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 270 -14.090 1.692 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 270 -13.789 0.348 1.380 1.00 0.00 H new ATOM 92 N ALA A 271 -11.448 -0.830 1.005 1.00 0.00 N ATOM 93 CA ALA A 271 -10.679 -2.060 0.693 1.00 0.00 C ATOM 94 C ALA A 271 -9.253 -1.694 0.274 1.00 0.00 C ATOM 95 O ALA A 271 -8.318 -2.436 0.500 1.00 0.00 O ATOM 96 CB ALA A 271 -11.427 -2.717 -0.466 1.00 0.00 C ATOM 0 H ALA A 271 -12.155 -0.575 0.316 1.00 0.00 H new ATOM 0 HA ALA A 271 -10.599 -2.727 1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 271 -10.917 -3.636 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 271 -12.446 -2.950 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 271 -11.453 -2.035 -1.316 1.00 0.00 H new ATOM 102 N ASN A 272 -9.083 -0.553 -0.337 1.00 0.00 N ATOM 103 CA ASN A 272 -7.720 -0.136 -0.774 1.00 0.00 C ATOM 104 C ASN A 272 -6.813 0.075 0.442 1.00 0.00 C ATOM 105 O ASN A 272 -5.715 -0.442 0.506 1.00 0.00 O ATOM 106 CB ASN A 272 -7.932 1.182 -1.521 1.00 0.00 C ATOM 107 CG ASN A 272 -7.326 1.078 -2.921 1.00 0.00 C ATOM 108 OD1 ASN A 272 -6.984 0.002 -3.370 1.00 0.00 O ATOM 109 ND2 ASN A 272 -7.176 2.160 -3.635 1.00 0.00 N ATOM 0 H ASN A 272 -9.829 0.108 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 272 -7.239 -0.888 -1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -8.996 1.406 -1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -7.468 2.002 -0.972 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -6.772 2.102 -4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -7.463 3.063 -3.258 1.00 0.00 H new ATOM 116 N LYS A 273 -7.261 0.833 1.405 1.00 0.00 N ATOM 117 CA LYS A 273 -6.425 1.078 2.612 1.00 0.00 C ATOM 118 C LYS A 273 -5.788 -0.229 3.089 1.00 0.00 C ATOM 119 O LYS A 273 -4.604 -0.449 2.930 1.00 0.00 O ATOM 120 CB LYS A 273 -7.397 1.617 3.662 1.00 0.00 C ATOM 121 CG LYS A 273 -6.706 1.655 5.026 1.00 0.00 C ATOM 122 CD LYS A 273 -7.750 1.875 6.122 1.00 0.00 C ATOM 123 CE LYS A 273 -8.279 0.522 6.604 1.00 0.00 C ATOM 124 NZ LYS A 273 -7.128 -0.111 7.307 1.00 0.00 N ATOM 0 H LYS A 273 -8.171 1.293 1.407 1.00 0.00 H new ATOM 0 HA LYS A 273 -5.609 1.774 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 273 -7.731 2.616 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 273 -8.284 0.986 3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -6.171 0.721 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 273 -5.966 2.455 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 273 -7.308 2.422 6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -8.570 2.483 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -9.131 0.646 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -8.617 -0.091 5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -6.789 -0.925 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -6.359 0.582 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -7.431 -0.433 8.249 1.00 0.00 H new ATOM 138 N ASP A 274 -6.566 -1.097 3.674 1.00 0.00 N ATOM 139 CA ASP A 274 -6.010 -2.388 4.163 1.00 0.00 C ATOM 140 C ASP A 274 -5.076 -2.992 3.111 1.00 0.00 C ATOM 141 O ASP A 274 -3.918 -3.255 3.374 1.00 0.00 O ATOM 142 CB ASP A 274 -7.228 -3.286 4.380 1.00 0.00 C ATOM 143 CG ASP A 274 -6.777 -4.637 4.938 1.00 0.00 C ATOM 144 OD1 ASP A 274 -5.954 -5.275 4.302 1.00 0.00 O ATOM 145 OD2 ASP A 274 -7.264 -5.012 5.992 1.00 0.00 O ATOM 0 H ASP A 274 -7.565 -0.967 3.834 1.00 0.00 H new ATOM 0 HA ASP A 274 -5.425 -2.269 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 274 -7.925 -2.810 5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 274 -7.759 -3.429 3.439 1.00 0.00 H new ATOM 150 N ALA A 275 -5.571 -3.215 1.923 1.00 0.00 N ATOM 151 CA ALA A 275 -4.715 -3.802 0.853 1.00 0.00 C ATOM 152 C ALA A 275 -3.321 -3.171 0.883 1.00 0.00 C ATOM 153 O ALA A 275 -2.332 -3.839 1.105 1.00 0.00 O ATOM 154 CB ALA A 275 -5.428 -3.461 -0.455 1.00 0.00 C ATOM 0 H ALA A 275 -6.533 -3.016 1.648 1.00 0.00 H new ATOM 0 HA ALA A 275 -4.579 -4.876 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 275 -4.859 -3.860 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 275 -6.425 -3.901 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 275 -5.509 -2.379 -0.554 1.00 0.00 H new ATOM 160 N ILE A 276 -3.239 -1.887 0.659 1.00 0.00 N ATOM 161 CA ILE A 276 -1.912 -1.209 0.673 1.00 0.00 C ATOM 162 C ILE A 276 -1.061 -1.732 1.833 1.00 0.00 C ATOM 163 O ILE A 276 0.024 -2.242 1.638 1.00 0.00 O ATOM 164 CB ILE A 276 -2.228 0.275 0.861 1.00 0.00 C ATOM 165 CG1 ILE A 276 -2.944 0.804 -0.384 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.928 1.054 1.070 1.00 0.00 C ATOM 167 CD1 ILE A 276 -3.075 2.325 -0.290 1.00 0.00 C ATOM 0 H ILE A 276 -4.035 -1.278 0.467 1.00 0.00 H new ATOM 0 HA ILE A 276 -1.345 -1.391 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.870 0.401 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -2.387 0.531 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -3.930 0.348 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -1.155 2.112 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.417 0.678 1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.285 0.928 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -3.585 2.702 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -3.650 2.586 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -2.083 2.772 -0.224 1.00 0.00 H new ATOM 179 N ARG A 277 -1.546 -1.612 3.039 1.00 0.00 N ATOM 180 CA ARG A 277 -0.763 -2.108 4.207 1.00 0.00 C ATOM 181 C ARG A 277 -0.162 -3.478 3.889 1.00 0.00 C ATOM 182 O ARG A 277 1.037 -3.627 3.761 1.00 0.00 O ATOM 183 CB ARG A 277 -1.778 -2.222 5.344 1.00 0.00 C ATOM 184 CG ARG A 277 -1.233 -1.519 6.588 1.00 0.00 C ATOM 185 CD ARG A 277 -2.241 -0.470 7.060 1.00 0.00 C ATOM 186 NE ARG A 277 -2.469 0.399 5.873 1.00 0.00 N ATOM 187 CZ ARG A 277 -3.137 1.514 5.994 1.00 0.00 C ATOM 188 NH1 ARG A 277 -3.614 1.871 7.156 1.00 0.00 N ATOM 189 NH2 ARG A 277 -3.329 2.273 4.950 1.00 0.00 N ATOM 0 H ARG A 277 -2.448 -1.193 3.266 1.00 0.00 H new ATOM 0 HA ARG A 277 0.064 -1.446 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -2.726 -1.773 5.046 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -1.977 -3.271 5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -1.050 -2.246 7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -0.277 -1.046 6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -3.169 -0.935 7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -1.851 0.103 7.901 1.00 0.00 H new ATOM 0 HE ARG A 277 -2.102 0.122 4.962 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -3.465 1.278 7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -4.135 2.743 7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -2.957 1.995 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -3.851 3.145 5.042 1.00 0.00 H new ATOM 203 N LYS A 278 -0.987 -4.479 3.761 1.00 0.00 N ATOM 204 CA LYS A 278 -0.468 -5.838 3.451 1.00 0.00 C ATOM 205 C LYS A 278 0.566 -5.762 2.324 1.00 0.00 C ATOM 206 O LYS A 278 1.729 -6.061 2.513 1.00 0.00 O ATOM 207 CB LYS A 278 -1.693 -6.635 3.002 1.00 0.00 C ATOM 208 CG LYS A 278 -2.075 -7.641 4.090 1.00 0.00 C ATOM 209 CD LYS A 278 -2.945 -8.743 3.482 1.00 0.00 C ATOM 210 CE LYS A 278 -2.476 -10.107 3.994 1.00 0.00 C ATOM 211 NZ LYS A 278 -2.933 -10.163 5.411 1.00 0.00 N ATOM 0 H LYS A 278 -2.000 -4.414 3.858 1.00 0.00 H new ATOM 0 HA LYS A 278 0.027 -6.298 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -2.527 -5.961 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -1.479 -7.156 2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 278 -1.177 -8.074 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -2.615 -7.138 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -3.990 -8.583 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -2.884 -8.711 2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -2.907 -10.918 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -1.393 -10.204 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -2.817 -11.130 5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -2.366 -9.507 5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -3.935 -9.891 5.463 1.00 0.00 H new ATOM 225 N GLN A 279 0.150 -5.363 1.152 1.00 0.00 N ATOM 226 CA GLN A 279 1.105 -5.268 0.015 1.00 0.00 C ATOM 227 C GLN A 279 2.409 -4.610 0.472 1.00 0.00 C ATOM 228 O GLN A 279 3.485 -5.141 0.281 1.00 0.00 O ATOM 229 CB GLN A 279 0.400 -4.394 -1.024 1.00 0.00 C ATOM 230 CG GLN A 279 0.525 -5.041 -2.405 1.00 0.00 C ATOM 231 CD GLN A 279 -0.463 -4.382 -3.369 1.00 0.00 C ATOM 232 OE1 GLN A 279 -1.655 -4.598 -3.278 1.00 0.00 O ATOM 233 NE2 GLN A 279 -0.015 -3.581 -4.297 1.00 0.00 N ATOM 0 H GLN A 279 -0.811 -5.099 0.935 1.00 0.00 H new ATOM 0 HA GLN A 279 1.367 -6.247 -0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -0.651 -4.274 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 279 0.841 -3.397 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 279 1.543 -4.931 -2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 279 0.325 -6.110 -2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 279 0.986 -3.399 -4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -0.666 -3.137 -4.945 1.00 0.00 H new ATOM 242 N MET A 280 2.321 -3.456 1.075 1.00 0.00 N ATOM 243 CA MET A 280 3.554 -2.762 1.544 1.00 0.00 C ATOM 244 C MET A 280 4.283 -3.619 2.581 1.00 0.00 C ATOM 245 O MET A 280 5.477 -3.826 2.499 1.00 0.00 O ATOM 246 CB MET A 280 3.059 -1.462 2.178 1.00 0.00 C ATOM 247 CG MET A 280 3.130 -0.333 1.149 1.00 0.00 C ATOM 248 SD MET A 280 3.506 1.227 1.987 1.00 0.00 S ATOM 249 CE MET A 280 2.190 1.147 3.226 1.00 0.00 C ATOM 0 H MET A 280 1.448 -2.963 1.263 1.00 0.00 H new ATOM 0 HA MET A 280 4.258 -2.579 0.732 1.00 0.00 H new ATOM 0 HB2 MET A 280 2.035 -1.584 2.530 1.00 0.00 H new ATOM 0 HB3 MET A 280 3.668 -1.214 3.048 1.00 0.00 H new ATOM 0 HG2 MET A 280 3.896 -0.552 0.405 1.00 0.00 H new ATOM 0 HG3 MET A 280 2.183 -0.252 0.616 1.00 0.00 H new ATOM 0 HE1 MET A 280 1.687 2.112 3.285 1.00 0.00 H new ATOM 0 HE2 MET A 280 1.470 0.379 2.943 1.00 0.00 H new ATOM 0 HE3 MET A 280 2.619 0.902 4.197 1.00 0.00 H new ATOM 259 N ASP A 281 3.575 -4.120 3.555 1.00 0.00 N ATOM 260 CA ASP A 281 4.228 -4.963 4.596 1.00 0.00 C ATOM 261 C ASP A 281 5.223 -5.928 3.946 1.00 0.00 C ATOM 262 O ASP A 281 6.421 -5.802 4.107 1.00 0.00 O ATOM 263 CB ASP A 281 3.084 -5.735 5.253 1.00 0.00 C ATOM 264 CG ASP A 281 3.175 -5.588 6.773 1.00 0.00 C ATOM 265 OD1 ASP A 281 3.817 -4.652 7.222 1.00 0.00 O ATOM 266 OD2 ASP A 281 2.601 -6.414 7.463 1.00 0.00 O ATOM 0 H ASP A 281 2.572 -3.982 3.675 1.00 0.00 H new ATOM 0 HA ASP A 281 4.787 -4.369 5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 281 2.125 -5.358 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 281 3.135 -6.788 4.975 1.00 0.00 H new ATOM 271 N ALA A 282 4.737 -6.893 3.215 1.00 0.00 N ATOM 272 CA ALA A 282 5.651 -7.865 2.560 1.00 0.00 C ATOM 273 C ALA A 282 6.669 -7.137 1.675 1.00 0.00 C ATOM 274 O ALA A 282 7.860 -7.202 1.902 1.00 0.00 O ATOM 275 CB ALA A 282 4.742 -8.754 1.710 1.00 0.00 C ATOM 0 H ALA A 282 3.744 -7.049 3.044 1.00 0.00 H new ATOM 0 HA ALA A 282 6.224 -8.440 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 282 5.344 -9.501 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 282 4.018 -9.254 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 282 4.215 -8.142 0.978 1.00 0.00 H new ATOM 281 N ALA A 283 6.209 -6.448 0.666 1.00 0.00 N ATOM 282 CA ALA A 283 7.151 -5.723 -0.239 1.00 0.00 C ATOM 283 C ALA A 283 8.098 -4.828 0.567 1.00 0.00 C ATOM 284 O ALA A 283 9.129 -4.407 0.080 1.00 0.00 O ATOM 285 CB ALA A 283 6.255 -4.876 -1.142 1.00 0.00 C ATOM 0 H ALA A 283 5.222 -6.355 0.428 1.00 0.00 H new ATOM 0 HA ALA A 283 7.780 -6.409 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 283 6.872 -4.310 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 283 5.581 -5.527 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 283 5.671 -4.186 -0.532 1.00 0.00 H new ATOM 291 N ALA A 284 7.758 -4.527 1.790 1.00 0.00 N ATOM 292 CA ALA A 284 8.641 -3.653 2.613 1.00 0.00 C ATOM 293 C ALA A 284 9.584 -4.496 3.478 1.00 0.00 C ATOM 294 O ALA A 284 10.787 -4.462 3.314 1.00 0.00 O ATOM 295 CB ALA A 284 7.686 -2.847 3.493 1.00 0.00 C ATOM 0 H ALA A 284 6.908 -4.848 2.254 1.00 0.00 H new ATOM 0 HA ALA A 284 9.273 -3.014 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 284 8.259 -2.176 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 284 7.016 -2.263 2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 284 7.101 -3.527 4.113 1.00 0.00 H new ATOM 301 N SER A 285 9.048 -5.244 4.403 1.00 0.00 N ATOM 302 CA SER A 285 9.914 -6.077 5.284 1.00 0.00 C ATOM 303 C SER A 285 10.236 -7.416 4.615 1.00 0.00 C ATOM 304 O SER A 285 10.163 -8.460 5.231 1.00 0.00 O ATOM 305 CB SER A 285 9.089 -6.298 6.551 1.00 0.00 C ATOM 306 OG SER A 285 9.180 -5.145 7.377 1.00 0.00 O ATOM 0 H SER A 285 8.047 -5.314 4.587 1.00 0.00 H new ATOM 0 HA SER A 285 10.869 -5.595 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 285 8.048 -6.493 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 285 9.453 -7.174 7.088 1.00 0.00 H new ATOM 0 HG SER A 285 8.650 -5.282 8.190 1.00 0.00 H new ATOM 312 N LYS A 286 10.596 -7.398 3.360 1.00 0.00 N ATOM 313 CA LYS A 286 10.923 -8.673 2.664 1.00 0.00 C ATOM 314 C LYS A 286 12.154 -8.500 1.771 1.00 0.00 C ATOM 315 O LYS A 286 12.959 -9.398 1.626 1.00 0.00 O ATOM 316 CB LYS A 286 9.689 -8.999 1.822 1.00 0.00 C ATOM 317 CG LYS A 286 9.909 -10.323 1.085 1.00 0.00 C ATOM 318 CD LYS A 286 8.560 -11.000 0.835 1.00 0.00 C ATOM 319 CE LYS A 286 8.770 -12.259 -0.009 1.00 0.00 C ATOM 320 NZ LYS A 286 7.789 -12.142 -1.124 1.00 0.00 N ATOM 0 H LYS A 286 10.677 -6.557 2.789 1.00 0.00 H new ATOM 0 HA LYS A 286 11.158 -9.471 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 286 8.808 -9.068 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 286 9.502 -8.199 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 286 10.419 -10.144 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 286 10.552 -10.977 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 286 8.090 -11.259 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 286 7.886 -10.314 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 286 9.791 -12.316 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 286 8.596 -13.161 0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 7.872 -12.970 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 6.825 -12.096 -0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 7.984 -11.278 -1.669 1.00 0.00 H new ATOM 334 N GLY A 287 12.305 -7.354 1.170 1.00 0.00 N ATOM 335 CA GLY A 287 13.480 -7.124 0.283 1.00 0.00 C ATOM 336 C GLY A 287 13.080 -6.166 -0.836 1.00 0.00 C ATOM 337 O GLY A 287 13.837 -5.301 -1.230 1.00 0.00 O ATOM 0 H GLY A 287 11.665 -6.565 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 287 14.308 -6.708 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 287 13.826 -8.069 -0.136 1.00 0.00 H new ATOM 341 N ASP A 288 11.887 -6.306 -1.344 1.00 0.00 N ATOM 342 CA ASP A 288 11.428 -5.395 -2.429 1.00 0.00 C ATOM 343 C ASP A 288 10.977 -4.067 -1.820 1.00 0.00 C ATOM 344 O ASP A 288 9.880 -3.601 -2.056 1.00 0.00 O ATOM 345 CB ASP A 288 10.250 -6.118 -3.086 1.00 0.00 C ATOM 346 CG ASP A 288 10.490 -6.223 -4.593 1.00 0.00 C ATOM 347 OD1 ASP A 288 11.298 -5.463 -5.099 1.00 0.00 O ATOM 348 OD2 ASP A 288 9.860 -7.062 -5.216 1.00 0.00 O ATOM 0 H ASP A 288 11.210 -7.012 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 288 12.212 -5.171 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 288 10.135 -7.113 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 288 9.324 -5.577 -2.892 1.00 0.00 H new ATOM 353 N VAL A 289 11.818 -3.462 -1.029 1.00 0.00 N ATOM 354 CA VAL A 289 11.448 -2.168 -0.388 1.00 0.00 C ATOM 355 C VAL A 289 11.220 -1.093 -1.452 1.00 0.00 C ATOM 356 O VAL A 289 10.568 -0.096 -1.210 1.00 0.00 O ATOM 357 CB VAL A 289 12.641 -1.809 0.498 1.00 0.00 C ATOM 358 CG1 VAL A 289 12.239 -0.699 1.470 1.00 0.00 C ATOM 359 CG2 VAL A 289 13.077 -3.044 1.292 1.00 0.00 C ATOM 0 H VAL A 289 12.749 -3.809 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 289 10.524 -2.241 0.186 1.00 0.00 H new ATOM 0 HB VAL A 289 13.466 -1.466 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 289 13.090 -0.443 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 289 11.926 0.181 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 289 11.414 -1.043 2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 289 13.928 -2.789 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 289 12.251 -3.386 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 289 13.363 -3.838 0.602 1.00 0.00 H new ATOM 369 N GLU A 290 11.744 -1.284 -2.630 1.00 0.00 N ATOM 370 CA GLU A 290 11.546 -0.273 -3.700 1.00 0.00 C ATOM 371 C GLU A 290 10.073 0.133 -3.758 1.00 0.00 C ATOM 372 O GLU A 290 9.708 1.245 -3.433 1.00 0.00 O ATOM 373 CB GLU A 290 11.960 -0.979 -4.989 1.00 0.00 C ATOM 374 CG GLU A 290 12.186 0.058 -6.091 1.00 0.00 C ATOM 375 CD GLU A 290 12.885 -0.604 -7.280 1.00 0.00 C ATOM 376 OE1 GLU A 290 14.099 -0.724 -7.237 1.00 0.00 O ATOM 377 OE2 GLU A 290 12.196 -0.980 -8.213 1.00 0.00 O ATOM 0 H GLU A 290 12.300 -2.097 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 290 12.125 0.635 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 290 12.871 -1.554 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 290 11.188 -1.685 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 290 11.233 0.483 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 290 12.792 0.881 -5.712 1.00 0.00 H new ATOM 384 N THR A 291 9.225 -0.768 -4.170 1.00 0.00 N ATOM 385 CA THR A 291 7.775 -0.450 -4.251 1.00 0.00 C ATOM 386 C THR A 291 7.262 0.047 -2.896 1.00 0.00 C ATOM 387 O THR A 291 6.465 0.961 -2.820 1.00 0.00 O ATOM 388 CB THR A 291 7.102 -1.770 -4.631 1.00 0.00 C ATOM 389 OG1 THR A 291 7.339 -2.041 -6.005 1.00 0.00 O ATOM 390 CG2 THR A 291 5.596 -1.668 -4.382 1.00 0.00 C ATOM 0 H THR A 291 9.477 -1.715 -4.455 1.00 0.00 H new ATOM 0 HA THR A 291 7.565 0.338 -4.974 1.00 0.00 H new ATOM 0 HB THR A 291 7.514 -2.576 -4.024 1.00 0.00 H new ATOM 0 HG1 THR A 291 6.910 -2.887 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 291 5.118 -2.609 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 291 5.415 -1.460 -3.328 1.00 0.00 H new ATOM 0 HG23 THR A 291 5.181 -0.862 -4.988 1.00 0.00 H new ATOM 398 N TYR A 292 7.714 -0.548 -1.824 1.00 0.00 N ATOM 399 CA TYR A 292 7.252 -0.111 -0.475 1.00 0.00 C ATOM 400 C TYR A 292 7.406 1.406 -0.329 1.00 0.00 C ATOM 401 O TYR A 292 6.444 2.119 -0.125 1.00 0.00 O ATOM 402 CB TYR A 292 8.163 -0.843 0.512 1.00 0.00 C ATOM 403 CG TYR A 292 7.872 -0.372 1.917 1.00 0.00 C ATOM 404 CD1 TYR A 292 6.553 -0.128 2.316 1.00 0.00 C ATOM 405 CD2 TYR A 292 8.924 -0.181 2.821 1.00 0.00 C ATOM 406 CE1 TYR A 292 6.285 0.306 3.620 1.00 0.00 C ATOM 407 CE2 TYR A 292 8.657 0.252 4.125 1.00 0.00 C ATOM 408 CZ TYR A 292 7.337 0.496 4.524 1.00 0.00 C ATOM 409 OH TYR A 292 7.073 0.924 5.810 1.00 0.00 O ATOM 0 H TYR A 292 8.383 -1.318 -1.825 1.00 0.00 H new ATOM 0 HA TYR A 292 6.200 -0.340 -0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 292 8.005 -1.919 0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 292 9.208 -0.657 0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 292 5.742 -0.274 1.618 1.00 0.00 H new ATOM 0 HD2 TYR A 292 9.942 -0.368 2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 292 5.267 0.494 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 292 9.468 0.398 4.823 1.00 0.00 H new ATOM 0 HH TYR A 292 7.914 1.004 6.307 1.00 0.00 H new ATOM 419 N ARG A 293 8.609 1.902 -0.432 1.00 0.00 N ATOM 420 CA ARG A 293 8.825 3.371 -0.300 1.00 0.00 C ATOM 421 C ARG A 293 7.731 4.137 -1.049 1.00 0.00 C ATOM 422 O ARG A 293 6.952 4.860 -0.461 1.00 0.00 O ATOM 423 CB ARG A 293 10.191 3.627 -0.938 1.00 0.00 C ATOM 424 CG ARG A 293 10.640 5.057 -0.630 1.00 0.00 C ATOM 425 CD ARG A 293 12.112 5.223 -1.014 1.00 0.00 C ATOM 426 NE ARG A 293 12.578 6.414 -0.250 1.00 0.00 N ATOM 427 CZ ARG A 293 13.844 6.737 -0.246 1.00 0.00 C ATOM 428 NH1 ARG A 293 14.708 6.017 -0.910 1.00 0.00 N ATOM 429 NH2 ARG A 293 14.246 7.782 0.424 1.00 0.00 N ATOM 0 H ARG A 293 9.452 1.353 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 293 8.790 3.703 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.922 2.915 -0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.134 3.477 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 293 10.027 5.769 -1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.503 5.272 0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 293 12.690 4.336 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 293 12.225 5.374 -2.088 1.00 0.00 H new ATOM 0 HE ARG A 293 11.907 6.979 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 293 14.395 5.200 -1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 293 15.696 6.272 -0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 293 13.572 8.345 0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 293 15.234 8.036 0.428 1.00 0.00 H new ATOM 443 N LYS A 294 7.668 3.983 -2.343 1.00 0.00 N ATOM 444 CA LYS A 294 6.628 4.700 -3.131 1.00 0.00 C ATOM 445 C LYS A 294 5.268 4.595 -2.434 1.00 0.00 C ATOM 446 O LYS A 294 4.771 5.553 -1.875 1.00 0.00 O ATOM 447 CB LYS A 294 6.598 3.988 -4.484 1.00 0.00 C ATOM 448 CG LYS A 294 7.067 4.948 -5.580 1.00 0.00 C ATOM 449 CD LYS A 294 8.530 5.329 -5.338 1.00 0.00 C ATOM 450 CE LYS A 294 9.361 4.980 -6.575 1.00 0.00 C ATOM 451 NZ LYS A 294 10.520 5.915 -6.538 1.00 0.00 N ATOM 0 H LYS A 294 8.293 3.390 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 294 6.847 5.763 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 294 7.241 3.108 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 294 5.588 3.639 -4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 294 6.960 4.479 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 294 6.444 5.842 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 294 8.608 6.395 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 294 8.915 4.799 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 294 9.691 3.941 -6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 294 8.781 5.107 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 11.136 5.736 -7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 10.176 6.896 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 11.058 5.767 -5.660 1.00 0.00 H new ATOM 465 N LEU A 295 4.663 3.438 -2.464 1.00 0.00 N ATOM 466 CA LEU A 295 3.338 3.271 -1.804 1.00 0.00 C ATOM 467 C LEU A 295 3.334 3.975 -0.445 1.00 0.00 C ATOM 468 O LEU A 295 2.593 4.911 -0.220 1.00 0.00 O ATOM 469 CB LEU A 295 3.171 1.762 -1.624 1.00 0.00 C ATOM 470 CG LEU A 295 2.048 1.259 -2.532 1.00 0.00 C ATOM 471 CD1 LEU A 295 2.385 1.582 -3.988 1.00 0.00 C ATOM 472 CD2 LEU A 295 1.901 -0.256 -2.369 1.00 0.00 C ATOM 0 H LEU A 295 5.030 2.601 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 295 2.527 3.704 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 295 4.103 1.251 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 295 2.941 1.533 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 295 1.113 1.748 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 295 1.584 1.223 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 295 2.492 2.660 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 295 3.320 1.093 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 295 1.101 -0.616 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 295 2.836 -0.744 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 295 1.661 -0.489 -1.331 1.00 0.00 H new ATOM 484 N LYS A 296 4.159 3.529 0.460 1.00 0.00 N ATOM 485 CA LYS A 296 4.209 4.168 1.803 1.00 0.00 C ATOM 486 C LYS A 296 4.173 5.690 1.658 1.00 0.00 C ATOM 487 O LYS A 296 3.379 6.366 2.283 1.00 0.00 O ATOM 488 CB LYS A 296 5.539 3.715 2.406 1.00 0.00 C ATOM 489 CG LYS A 296 5.745 4.392 3.763 1.00 0.00 C ATOM 490 CD LYS A 296 7.100 3.975 4.341 1.00 0.00 C ATOM 491 CE LYS A 296 7.657 5.108 5.207 1.00 0.00 C ATOM 492 NZ LYS A 296 7.916 6.226 4.257 1.00 0.00 N ATOM 0 H LYS A 296 4.802 2.748 0.327 1.00 0.00 H new ATOM 0 HA LYS A 296 3.363 3.887 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 296 5.546 2.631 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 296 6.359 3.968 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 296 5.703 5.475 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 296 4.944 4.111 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 296 6.990 3.069 4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 296 7.796 3.744 3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 296 6.945 5.402 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 296 8.571 4.803 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 8.763 6.748 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 8.067 5.842 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 7.099 6.869 4.246 1.00 0.00 H new ATOM 506 N ALA A 297 5.027 6.234 0.836 1.00 0.00 N ATOM 507 CA ALA A 297 5.045 7.708 0.647 1.00 0.00 C ATOM 508 C ALA A 297 3.621 8.235 0.459 1.00 0.00 C ATOM 509 O ALA A 297 3.087 8.920 1.305 1.00 0.00 O ATOM 510 CB ALA A 297 5.873 7.935 -0.618 1.00 0.00 C ATOM 0 H ALA A 297 5.714 5.718 0.286 1.00 0.00 H new ATOM 0 HA ALA A 297 5.464 8.229 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 297 5.934 9.003 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.877 7.536 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 297 5.400 7.428 -1.459 1.00 0.00 H new ATOM 516 N LYS A 298 3.003 7.922 -0.646 1.00 0.00 N ATOM 517 CA LYS A 298 1.616 8.410 -0.887 1.00 0.00 C ATOM 518 C LYS A 298 0.773 8.280 0.386 1.00 0.00 C ATOM 519 O LYS A 298 0.263 9.251 0.907 1.00 0.00 O ATOM 520 CB LYS A 298 1.064 7.508 -1.991 1.00 0.00 C ATOM 521 CG LYS A 298 0.798 8.343 -3.245 1.00 0.00 C ATOM 522 CD LYS A 298 -0.647 8.845 -3.227 1.00 0.00 C ATOM 523 CE LYS A 298 -0.775 10.063 -4.144 1.00 0.00 C ATOM 524 NZ LYS A 298 -0.946 9.498 -5.511 1.00 0.00 N ATOM 0 H LYS A 298 3.398 7.350 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 298 1.595 9.462 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 298 1.775 6.712 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 298 0.143 7.029 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 298 1.487 9.187 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 298 0.975 7.744 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -1.322 8.055 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -0.939 9.109 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -1.627 10.681 -3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 298 0.111 10.696 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -1.041 10.273 -6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -0.116 8.920 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -1.801 8.906 -5.537 1.00 0.00 H new ATOM 538 N LEU A 299 0.619 7.084 0.883 1.00 0.00 N ATOM 539 CA LEU A 299 -0.195 6.880 2.113 1.00 0.00 C ATOM 540 C LEU A 299 0.181 7.896 3.199 1.00 0.00 C ATOM 541 O LEU A 299 -0.598 8.180 4.087 1.00 0.00 O ATOM 542 CB LEU A 299 0.141 5.460 2.571 1.00 0.00 C ATOM 543 CG LEU A 299 -0.815 5.044 3.689 1.00 0.00 C ATOM 544 CD1 LEU A 299 -1.857 4.070 3.135 1.00 0.00 C ATOM 545 CD2 LEU A 299 -0.023 4.360 4.805 1.00 0.00 C ATOM 0 H LEU A 299 1.024 6.235 0.488 1.00 0.00 H new ATOM 0 HA LEU A 299 -1.260 7.016 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.060 4.768 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 299 1.171 5.415 2.924 1.00 0.00 H new ATOM 0 HG LEU A 299 -1.318 5.927 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -2.538 3.774 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -2.420 4.555 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -1.355 3.187 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -0.703 4.062 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 299 0.478 3.478 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 299 0.720 5.052 5.200 1.00 0.00 H new ATOM 557 N LYS A 300 1.366 8.442 3.143 1.00 0.00 N ATOM 558 CA LYS A 300 1.779 9.431 4.184 1.00 0.00 C ATOM 559 C LYS A 300 0.800 10.611 4.223 1.00 0.00 C ATOM 560 O LYS A 300 0.554 11.193 5.261 1.00 0.00 O ATOM 561 CB LYS A 300 3.184 9.890 3.769 1.00 0.00 C ATOM 562 CG LYS A 300 3.092 11.028 2.745 1.00 0.00 C ATOM 563 CD LYS A 300 4.407 11.123 1.969 1.00 0.00 C ATOM 564 CE LYS A 300 5.300 12.191 2.606 1.00 0.00 C ATOM 565 NZ LYS A 300 4.712 13.489 2.174 1.00 0.00 N ATOM 0 H LYS A 300 2.064 8.248 2.425 1.00 0.00 H new ATOM 0 HA LYS A 300 1.779 8.999 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 300 3.738 10.225 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 300 3.737 9.052 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 300 2.265 10.848 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 300 2.887 11.971 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 300 4.915 10.159 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 300 4.209 11.374 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 300 5.308 12.103 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 300 6.333 12.094 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 5.419 14.027 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 3.880 13.311 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 4.426 14.036 3.011 1.00 0.00 H new ATOM 579 N GLY A 301 0.242 10.968 3.099 1.00 0.00 N ATOM 580 CA GLY A 301 -0.717 12.108 3.070 1.00 0.00 C ATOM 581 C GLY A 301 -1.754 11.867 1.974 1.00 0.00 C ATOM 582 O GLY A 301 -1.847 12.612 1.018 1.00 0.00 O ATOM 0 H GLY A 301 0.409 10.519 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 301 -1.210 12.209 4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 301 -0.185 13.041 2.885 1.00 0.00 H new ATOM 586 N ILE A 302 -2.530 10.829 2.101 1.00 0.00 N ATOM 587 CA ILE A 302 -3.557 10.535 1.065 1.00 0.00 C ATOM 588 C ILE A 302 -4.840 11.320 1.353 1.00 0.00 C ATOM 589 O ILE A 302 -5.015 11.869 2.422 1.00 0.00 O ATOM 590 CB ILE A 302 -3.801 9.029 1.173 1.00 0.00 C ATOM 591 CG1 ILE A 302 -4.496 8.535 -0.097 1.00 0.00 C ATOM 592 CG2 ILE A 302 -4.685 8.732 2.387 1.00 0.00 C ATOM 593 CD1 ILE A 302 -3.734 7.335 -0.660 1.00 0.00 C ATOM 0 H ILE A 302 -2.498 10.170 2.879 1.00 0.00 H new ATOM 0 HA ILE A 302 -3.235 10.823 0.064 1.00 0.00 H new ATOM 0 HB ILE A 302 -2.846 8.517 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 302 -5.526 8.254 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 302 -4.536 9.334 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 302 -4.855 7.658 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 302 -4.189 9.082 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 302 -5.641 9.244 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 302 -4.228 6.982 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 302 -2.712 7.631 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 302 -3.717 6.535 0.080 1.00 0.00 H new ATOM 605 N ARG A 303 -5.738 11.378 0.407 1.00 0.00 N ATOM 606 CA ARG A 303 -7.006 12.128 0.626 1.00 0.00 C ATOM 607 C ARG A 303 -8.094 11.622 -0.325 1.00 0.00 C ATOM 608 O ARG A 303 -9.179 11.327 0.149 1.00 0.00 O ATOM 609 CB ARG A 303 -6.660 13.586 0.320 1.00 0.00 C ATOM 610 CG ARG A 303 -6.114 14.257 1.582 1.00 0.00 C ATOM 611 CD ARG A 303 -4.640 14.612 1.375 1.00 0.00 C ATOM 612 NE ARG A 303 -4.578 16.090 1.541 1.00 0.00 N ATOM 613 CZ ARG A 303 -3.425 16.703 1.556 1.00 0.00 C ATOM 614 NH1 ARG A 303 -2.318 16.025 1.410 1.00 0.00 N ATOM 615 NH2 ARG A 303 -3.379 17.997 1.714 1.00 0.00 N ATOM 616 OXT ARG A 303 -7.823 11.538 -1.512 1.00 0.00 O ATOM 0 H ARG A 303 -5.647 10.938 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 303 -7.390 12.003 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -5.921 13.635 -0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -7.546 14.115 -0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -6.688 15.156 1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -6.222 13.590 2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -4.005 14.105 2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -4.296 14.310 0.386 1.00 0.00 H new ATOM 0 HE ARG A 303 -5.440 16.626 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -2.352 15.013 1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -1.419 16.507 1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -4.243 18.528 1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -2.479 18.478 1.726 1.00 0.00 H new TER 630 ARG A 303