USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=7 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 -102:sc= 0.102 USER MOD Single : A 272 ASN : amide:sc=-0.000811 X(o=-0.00081,f=-0.47) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 278 LYS NZ :NH3+ 158:sc= 0.231 (180deg=-0.493) USER MOD Single : A 279 GLN : amide:sc= -0.163 K(o=-0.16,f=-3.8!) USER MOD Single : A 280 MET CE :methyl -151:sc= -0.162 (180deg=-1.43) 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 106:sc= 0.00239 USER MOD Single : A 292 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 264 -17.514 -9.926 -1.357 1.00 0.00 N ATOM 2 CA ILE A 264 -17.444 -8.446 -1.181 1.00 0.00 C ATOM 3 C ILE A 264 -17.979 -7.741 -2.432 1.00 0.00 C ATOM 4 O ILE A 264 -17.513 -7.969 -3.531 1.00 0.00 O ATOM 5 CB ILE A 264 -15.957 -8.146 -0.972 1.00 0.00 C ATOM 6 CG1 ILE A 264 -15.802 -6.770 -0.320 1.00 0.00 C ATOM 7 CG2 ILE A 264 -15.228 -8.160 -2.318 1.00 0.00 C ATOM 8 CD1 ILE A 264 -16.481 -5.710 -1.188 1.00 0.00 C ATOM 0 HA ILE A 264 -18.047 -8.094 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 264 -15.525 -8.908 -0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -16.245 -6.777 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -14.745 -6.532 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -14.171 -7.946 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -15.335 -9.142 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -15.659 -7.402 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -16.369 -4.731 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -16.018 -5.697 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -17.541 -5.945 -1.288 1.00 0.00 H new ATOM 22 N THR A 265 -18.958 -6.893 -2.275 1.00 0.00 N ATOM 23 CA THR A 265 -19.526 -6.182 -3.454 1.00 0.00 C ATOM 24 C THR A 265 -18.736 -4.902 -3.742 1.00 0.00 C ATOM 25 O THR A 265 -18.439 -4.588 -4.878 1.00 0.00 O ATOM 26 CB THR A 265 -20.964 -5.847 -3.059 1.00 0.00 C ATOM 27 OG1 THR A 265 -21.684 -5.427 -4.210 1.00 0.00 O ATOM 28 CG2 THR A 265 -20.963 -4.726 -2.019 1.00 0.00 C ATOM 0 H THR A 265 -19.389 -6.662 -1.380 1.00 0.00 H new ATOM 0 HA THR A 265 -19.480 -6.788 -4.359 1.00 0.00 H new ATOM 0 HB THR A 265 -21.439 -6.732 -2.635 1.00 0.00 H new ATOM 0 HG1 THR A 265 -22.607 -5.213 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 265 -21.989 -4.489 -1.739 1.00 0.00 H new ATOM 0 HG22 THR A 265 -20.411 -5.049 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 265 -20.488 -3.840 -2.440 1.00 0.00 H new ATOM 36 N GLY A 266 -18.396 -4.159 -2.725 1.00 0.00 N ATOM 37 CA GLY A 266 -17.630 -2.899 -2.949 1.00 0.00 C ATOM 38 C GLY A 266 -16.713 -2.635 -1.753 1.00 0.00 C ATOM 39 O GLY A 266 -17.162 -2.291 -0.678 1.00 0.00 O ATOM 0 H GLY A 266 -18.614 -4.368 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 266 -17.040 -2.978 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 266 -18.317 -2.063 -3.085 1.00 0.00 H new ATOM 43 N ASP A 267 -15.430 -2.793 -1.932 1.00 0.00 N ATOM 44 CA ASP A 267 -14.485 -2.551 -0.807 1.00 0.00 C ATOM 45 C ASP A 267 -13.926 -1.126 -0.886 1.00 0.00 C ATOM 46 O ASP A 267 -13.162 -0.797 -1.771 1.00 0.00 O ATOM 47 CB ASP A 267 -13.370 -3.580 -0.998 1.00 0.00 C ATOM 48 CG ASP A 267 -13.441 -4.626 0.116 1.00 0.00 C ATOM 49 OD1 ASP A 267 -14.123 -4.374 1.096 1.00 0.00 O ATOM 50 OD2 ASP A 267 -12.812 -5.661 -0.029 1.00 0.00 O ATOM 0 H ASP A 267 -14.996 -3.079 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 267 -14.965 -2.650 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 267 -13.469 -4.062 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 267 -12.399 -3.085 -0.985 1.00 0.00 H new ATOM 55 N VAL A 268 -14.307 -0.277 0.030 1.00 0.00 N ATOM 56 CA VAL A 268 -13.809 1.122 0.007 1.00 0.00 C ATOM 57 C VAL A 268 -12.349 1.183 0.463 1.00 0.00 C ATOM 58 O VAL A 268 -11.706 0.171 0.663 1.00 0.00 O ATOM 59 CB VAL A 268 -14.710 1.856 0.994 1.00 0.00 C ATOM 60 CG1 VAL A 268 -16.137 1.904 0.449 1.00 0.00 C ATOM 61 CG2 VAL A 268 -14.701 1.122 2.338 1.00 0.00 C ATOM 0 H VAL A 268 -14.945 -0.496 0.795 1.00 0.00 H new ATOM 0 HA VAL A 268 -13.838 1.559 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 268 -14.341 2.872 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 268 -16.779 2.429 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 268 -16.144 2.429 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 268 -16.507 0.888 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 268 -15.345 1.647 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 268 -15.067 0.105 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 268 -13.684 1.091 2.729 1.00 0.00 H new ATOM 71 N SER A 269 -11.822 2.367 0.628 1.00 0.00 N ATOM 72 CA SER A 269 -10.404 2.500 1.071 1.00 0.00 C ATOM 73 C SER A 269 -10.102 1.489 2.179 1.00 0.00 C ATOM 74 O SER A 269 -9.035 0.910 2.228 1.00 0.00 O ATOM 75 CB SER A 269 -10.287 3.928 1.600 1.00 0.00 C ATOM 76 OG SER A 269 -11.578 4.402 1.961 1.00 0.00 O ATOM 0 H SER A 269 -12.313 3.248 0.475 1.00 0.00 H new ATOM 0 HA SER A 269 -9.698 2.307 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 269 -9.622 3.955 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 269 -9.849 4.575 0.840 1.00 0.00 H new ATOM 0 HG SER A 269 -11.914 5.000 1.261 1.00 0.00 H new ATOM 82 N ALA A 270 -11.034 1.273 3.068 1.00 0.00 N ATOM 83 CA ALA A 270 -10.803 0.300 4.171 1.00 0.00 C ATOM 84 C ALA A 270 -10.098 -0.947 3.633 1.00 0.00 C ATOM 85 O ALA A 270 -9.002 -1.278 4.041 1.00 0.00 O ATOM 86 CB ALA A 270 -12.199 -0.051 4.687 1.00 0.00 C ATOM 0 H ALA A 270 -11.946 1.730 3.077 1.00 0.00 H new ATOM 0 HA ALA A 270 -10.169 0.708 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 270 -12.115 -0.767 5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 270 -12.693 0.853 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 270 -12.786 -0.490 3.880 1.00 0.00 H new ATOM 92 N ALA A 271 -10.719 -1.641 2.720 1.00 0.00 N ATOM 93 CA ALA A 271 -10.090 -2.862 2.154 1.00 0.00 C ATOM 94 C ALA A 271 -8.815 -2.494 1.391 1.00 0.00 C ATOM 95 O ALA A 271 -7.789 -3.128 1.533 1.00 0.00 O ATOM 96 CB ALA A 271 -11.136 -3.442 1.204 1.00 0.00 C ATOM 0 H ALA A 271 -11.638 -1.412 2.342 1.00 0.00 H new ATOM 0 HA ALA A 271 -9.802 -3.575 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 271 -10.746 -4.350 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 271 -12.042 -3.678 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 271 -11.367 -2.712 0.428 1.00 0.00 H new ATOM 102 N ASN A 272 -8.875 -1.471 0.581 1.00 0.00 N ATOM 103 CA ASN A 272 -7.669 -1.060 -0.193 1.00 0.00 C ATOM 104 C ASN A 272 -6.520 -0.723 0.761 1.00 0.00 C ATOM 105 O ASN A 272 -5.492 -1.370 0.763 1.00 0.00 O ATOM 106 CB ASN A 272 -8.103 0.183 -0.972 1.00 0.00 C ATOM 107 CG ASN A 272 -7.492 0.147 -2.373 1.00 0.00 C ATOM 108 OD1 ASN A 272 -6.386 -0.321 -2.554 1.00 0.00 O ATOM 109 ND2 ASN A 272 -8.171 0.625 -3.381 1.00 0.00 N ATOM 0 H ASN A 272 -9.707 -0.903 0.422 1.00 0.00 H new ATOM 0 HA ASN A 272 -7.312 -1.850 -0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -9.190 0.222 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -7.784 1.084 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -7.772 0.605 -4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -9.100 1.018 -3.230 1.00 0.00 H new ATOM 116 N LYS A 273 -6.688 0.287 1.572 1.00 0.00 N ATOM 117 CA LYS A 273 -5.609 0.668 2.526 1.00 0.00 C ATOM 118 C LYS A 273 -4.987 -0.583 3.152 1.00 0.00 C ATOM 119 O LYS A 273 -3.822 -0.871 2.961 1.00 0.00 O ATOM 120 CB LYS A 273 -6.305 1.513 3.593 1.00 0.00 C ATOM 121 CG LYS A 273 -5.334 1.786 4.743 1.00 0.00 C ATOM 122 CD LYS A 273 -5.091 3.292 4.860 1.00 0.00 C ATOM 123 CE LYS A 273 -3.996 3.711 3.875 1.00 0.00 C ATOM 124 NZ LYS A 273 -3.667 5.116 4.243 1.00 0.00 N ATOM 0 H LYS A 273 -7.527 0.865 1.614 1.00 0.00 H new ATOM 0 HA LYS A 273 -4.800 1.212 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 273 -6.647 2.453 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 273 -7.188 0.993 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -5.742 1.399 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 273 -4.391 1.267 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 273 -6.011 3.837 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -4.795 3.545 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -3.122 3.066 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -4.345 3.644 2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -2.923 5.475 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -4.517 5.708 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -3.332 5.148 5.227 1.00 0.00 H new ATOM 138 N ASP A 274 -5.755 -1.329 3.901 1.00 0.00 N ATOM 139 CA ASP A 274 -5.210 -2.560 4.540 1.00 0.00 C ATOM 140 C ASP A 274 -4.316 -3.319 3.555 1.00 0.00 C ATOM 141 O ASP A 274 -3.117 -3.408 3.733 1.00 0.00 O ATOM 142 CB ASP A 274 -6.439 -3.395 4.901 1.00 0.00 C ATOM 143 CG ASP A 274 -6.261 -3.986 6.301 1.00 0.00 C ATOM 144 OD1 ASP A 274 -6.466 -3.260 7.260 1.00 0.00 O ATOM 145 OD2 ASP A 274 -5.922 -5.155 6.390 1.00 0.00 O ATOM 0 H ASP A 274 -6.737 -1.138 4.097 1.00 0.00 H new ATOM 0 HA ASP A 274 -4.598 -2.335 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 274 -7.335 -2.776 4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 274 -6.576 -4.194 4.172 1.00 0.00 H new ATOM 150 N ALA A 275 -4.891 -3.867 2.519 1.00 0.00 N ATOM 151 CA ALA A 275 -4.078 -4.621 1.524 1.00 0.00 C ATOM 152 C ALA A 275 -2.771 -3.878 1.233 1.00 0.00 C ATOM 153 O ALA A 275 -1.696 -4.350 1.546 1.00 0.00 O ATOM 154 CB ALA A 275 -4.949 -4.686 0.269 1.00 0.00 C ATOM 0 H ALA A 275 -5.890 -3.825 2.319 1.00 0.00 H new ATOM 0 HA ALA A 275 -3.804 -5.613 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 275 -4.419 -5.228 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 275 -5.881 -5.201 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 275 -5.168 -3.675 -0.074 1.00 0.00 H new ATOM 160 N ILE A 276 -2.857 -2.721 0.636 1.00 0.00 N ATOM 161 CA ILE A 276 -1.622 -1.947 0.324 1.00 0.00 C ATOM 162 C ILE A 276 -0.648 -2.007 1.502 1.00 0.00 C ATOM 163 O ILE A 276 0.502 -2.368 1.351 1.00 0.00 O ATOM 164 CB ILE A 276 -2.102 -0.514 0.094 1.00 0.00 C ATOM 165 CG1 ILE A 276 -2.791 -0.423 -1.270 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.904 0.437 0.123 1.00 0.00 C ATOM 167 CD1 ILE A 276 -3.195 1.027 -1.543 1.00 0.00 C ATOM 0 H ILE A 276 -3.730 -2.278 0.350 1.00 0.00 H new ATOM 0 HA ILE A 276 -1.093 -2.343 -0.543 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.805 -0.235 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -2.120 -0.778 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -3.671 -1.066 -1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -1.246 1.459 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 276 -0.410 0.371 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 276 -0.200 0.160 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -3.686 1.091 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -3.881 1.366 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -2.307 1.658 -1.543 1.00 0.00 H new ATOM 179 N ARG A 277 -1.099 -1.659 2.676 1.00 0.00 N ATOM 180 CA ARG A 277 -0.197 -1.700 3.862 1.00 0.00 C ATOM 181 C ARG A 277 0.630 -2.988 3.845 1.00 0.00 C ATOM 182 O ARG A 277 1.831 -2.964 3.664 1.00 0.00 O ATOM 183 CB ARG A 277 -1.131 -1.678 5.073 1.00 0.00 C ATOM 184 CG ARG A 277 -0.977 -0.347 5.811 1.00 0.00 C ATOM 185 CD ARG A 277 -1.967 0.671 5.241 1.00 0.00 C ATOM 186 NE ARG A 277 -1.294 1.991 5.396 1.00 0.00 N ATOM 187 CZ ARG A 277 -1.162 2.524 6.581 1.00 0.00 C ATOM 188 NH1 ARG A 277 -1.616 1.903 7.636 1.00 0.00 N ATOM 189 NH2 ARG A 277 -0.573 3.682 6.711 1.00 0.00 N ATOM 0 H ARG A 277 -2.052 -1.348 2.865 1.00 0.00 H new ATOM 0 HA ARG A 277 0.506 -0.867 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -2.164 -1.810 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -0.897 -2.506 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -1.157 -0.487 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 277 0.043 0.023 5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -2.190 0.462 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -2.914 0.645 5.780 1.00 0.00 H new ATOM 0 HE ARG A 277 -0.936 2.479 4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -2.076 0.998 7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -1.511 2.323 8.560 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -0.217 4.168 5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -0.469 4.100 7.635 1.00 0.00 H new ATOM 203 N LYS A 278 -0.005 -4.112 4.031 1.00 0.00 N ATOM 204 CA LYS A 278 0.741 -5.399 4.024 1.00 0.00 C ATOM 205 C LYS A 278 1.689 -5.454 2.822 1.00 0.00 C ATOM 206 O LYS A 278 2.895 -5.472 2.970 1.00 0.00 O ATOM 207 CB LYS A 278 -0.334 -6.480 3.909 1.00 0.00 C ATOM 208 CG LYS A 278 -0.328 -7.344 5.172 1.00 0.00 C ATOM 209 CD LYS A 278 -1.679 -8.046 5.317 1.00 0.00 C ATOM 210 CE LYS A 278 -2.615 -7.183 6.166 1.00 0.00 C ATOM 211 NZ LYS A 278 -3.517 -6.516 5.186 1.00 0.00 N ATOM 0 H LYS A 278 -1.010 -4.194 4.188 1.00 0.00 H new ATOM 0 HA LYS A 278 1.353 -5.527 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -1.313 -6.021 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -0.149 -7.099 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 278 0.473 -8.081 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 278 -0.132 -6.725 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -2.118 -8.219 4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -1.545 -9.022 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -3.180 -7.791 6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 278 -2.056 -6.452 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 -4.391 -6.219 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 -3.040 -5.682 4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 -3.750 -7.180 4.421 1.00 0.00 H new ATOM 225 N GLN A 279 1.152 -5.481 1.632 1.00 0.00 N ATOM 226 CA GLN A 279 2.020 -5.536 0.423 1.00 0.00 C ATOM 227 C GLN A 279 3.202 -4.575 0.574 1.00 0.00 C ATOM 228 O GLN A 279 4.347 -4.955 0.428 1.00 0.00 O ATOM 229 CB GLN A 279 1.117 -5.101 -0.732 1.00 0.00 C ATOM 230 CG GLN A 279 0.899 -6.281 -1.682 1.00 0.00 C ATOM 231 CD GLN A 279 2.202 -6.592 -2.419 1.00 0.00 C ATOM 232 OE1 GLN A 279 3.189 -5.903 -2.250 1.00 0.00 O ATOM 233 NE2 GLN A 279 2.249 -7.608 -3.237 1.00 0.00 N ATOM 0 H GLN A 279 0.149 -5.467 1.446 1.00 0.00 H new ATOM 0 HA GLN A 279 2.440 -6.529 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 279 0.160 -4.749 -0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 279 1.571 -4.268 -1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 279 0.568 -7.156 -1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 279 0.112 -6.044 -2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 279 1.421 -8.187 -3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 279 3.113 -7.823 -3.734 1.00 0.00 H new ATOM 242 N MET A 280 2.935 -3.331 0.865 1.00 0.00 N ATOM 243 CA MET A 280 4.045 -2.348 1.024 1.00 0.00 C ATOM 244 C MET A 280 4.986 -2.791 2.147 1.00 0.00 C ATOM 245 O MET A 280 6.183 -2.888 1.963 1.00 0.00 O ATOM 246 CB MET A 280 3.360 -1.030 1.387 1.00 0.00 C ATOM 247 CG MET A 280 3.439 -0.069 0.199 1.00 0.00 C ATOM 248 SD MET A 280 3.858 1.589 0.791 1.00 0.00 S ATOM 249 CE MET A 280 2.571 1.710 2.058 1.00 0.00 C ATOM 0 H MET A 280 1.997 -2.953 0.999 1.00 0.00 H new ATOM 0 HA MET A 280 4.648 -2.257 0.121 1.00 0.00 H new ATOM 0 HB2 MET A 280 2.319 -1.211 1.654 1.00 0.00 H new ATOM 0 HB3 MET A 280 3.840 -0.587 2.259 1.00 0.00 H new ATOM 0 HG2 MET A 280 4.190 -0.414 -0.512 1.00 0.00 H new ATOM 0 HG3 MET A 280 2.486 -0.048 -0.329 1.00 0.00 H new ATOM 0 HE1 MET A 280 2.292 2.755 2.194 1.00 0.00 H new ATOM 0 HE2 MET A 280 1.697 1.139 1.745 1.00 0.00 H new ATOM 0 HE3 MET A 280 2.948 1.309 2.999 1.00 0.00 H new ATOM 259 N ASP A 281 4.454 -3.062 3.308 1.00 0.00 N ATOM 260 CA ASP A 281 5.321 -3.500 4.439 1.00 0.00 C ATOM 261 C ASP A 281 6.352 -4.517 3.945 1.00 0.00 C ATOM 262 O ASP A 281 7.542 -4.344 4.117 1.00 0.00 O ATOM 263 CB ASP A 281 4.366 -4.148 5.443 1.00 0.00 C ATOM 264 CG ASP A 281 4.622 -3.571 6.836 1.00 0.00 C ATOM 265 OD1 ASP A 281 5.119 -2.459 6.913 1.00 0.00 O ATOM 266 OD2 ASP A 281 4.318 -4.250 7.802 1.00 0.00 O ATOM 0 H ASP A 281 3.459 -2.999 3.522 1.00 0.00 H new ATOM 0 HA ASP A 281 5.875 -2.672 4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 281 3.333 -3.967 5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 281 4.510 -5.228 5.453 1.00 0.00 H new ATOM 271 N ALA A 282 5.904 -5.577 3.331 1.00 0.00 N ATOM 272 CA ALA A 282 6.854 -6.601 2.825 1.00 0.00 C ATOM 273 C ALA A 282 7.862 -5.961 1.865 1.00 0.00 C ATOM 274 O ALA A 282 9.020 -5.790 2.189 1.00 0.00 O ATOM 275 CB ALA A 282 5.984 -7.619 2.089 1.00 0.00 C ATOM 0 H ALA A 282 4.919 -5.777 3.159 1.00 0.00 H new ATOM 0 HA ALA A 282 7.430 -7.062 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 282 6.614 -8.411 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 282 5.261 -8.049 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 282 5.455 -7.124 1.274 1.00 0.00 H new ATOM 281 N ALA A 283 7.428 -5.607 0.686 1.00 0.00 N ATOM 282 CA ALA A 283 8.358 -4.980 -0.298 1.00 0.00 C ATOM 283 C ALA A 283 9.238 -3.932 0.389 1.00 0.00 C ATOM 284 O ALA A 283 10.390 -3.755 0.047 1.00 0.00 O ATOM 285 CB ALA A 283 7.449 -4.319 -1.335 1.00 0.00 C ATOM 0 H ALA A 283 6.468 -5.725 0.361 1.00 0.00 H new ATOM 0 HA ALA A 283 9.031 -5.709 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 283 8.059 -3.834 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 283 6.819 -5.076 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 283 6.820 -3.575 -0.846 1.00 0.00 H new ATOM 291 N ALA A 284 8.704 -3.232 1.352 1.00 0.00 N ATOM 292 CA ALA A 284 9.514 -2.195 2.053 1.00 0.00 C ATOM 293 C ALA A 284 10.755 -2.827 2.690 1.00 0.00 C ATOM 294 O ALA A 284 11.851 -2.718 2.176 1.00 0.00 O ATOM 295 CB ALA A 284 8.586 -1.627 3.129 1.00 0.00 C ATOM 0 H ALA A 284 7.745 -3.333 1.683 1.00 0.00 H new ATOM 0 HA ALA A 284 9.870 -1.422 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 284 9.111 -0.854 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 284 7.703 -1.196 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 284 8.283 -2.425 3.806 1.00 0.00 H new ATOM 301 N SER A 285 10.594 -3.484 3.805 1.00 0.00 N ATOM 302 CA SER A 285 11.765 -4.117 4.473 1.00 0.00 C ATOM 303 C SER A 285 12.028 -5.507 3.887 1.00 0.00 C ATOM 304 O SER A 285 12.307 -6.448 4.603 1.00 0.00 O ATOM 305 CB SER A 285 11.370 -4.222 5.945 1.00 0.00 C ATOM 306 OG SER A 285 11.537 -2.956 6.568 1.00 0.00 O ATOM 0 H SER A 285 9.702 -3.610 4.283 1.00 0.00 H new ATOM 0 HA SER A 285 12.679 -3.540 4.334 1.00 0.00 H new ATOM 0 HB2 SER A 285 10.334 -4.549 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 285 11.984 -4.970 6.446 1.00 0.00 H new ATOM 0 HG SER A 285 11.283 -3.020 7.512 1.00 0.00 H new ATOM 312 N LYS A 286 11.941 -5.646 2.593 1.00 0.00 N ATOM 313 CA LYS A 286 12.186 -6.976 1.971 1.00 0.00 C ATOM 314 C LYS A 286 13.275 -6.872 0.902 1.00 0.00 C ATOM 315 O LYS A 286 13.636 -7.847 0.272 1.00 0.00 O ATOM 316 CB LYS A 286 10.851 -7.374 1.342 1.00 0.00 C ATOM 317 CG LYS A 286 11.044 -8.620 0.476 1.00 0.00 C ATOM 318 CD LYS A 286 11.029 -8.223 -1.002 1.00 0.00 C ATOM 319 CE LYS A 286 11.300 -9.456 -1.866 1.00 0.00 C ATOM 320 NZ LYS A 286 11.662 -8.915 -3.205 1.00 0.00 N ATOM 0 H LYS A 286 11.711 -4.896 1.941 1.00 0.00 H new ATOM 0 HA LYS A 286 12.528 -7.712 2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 286 10.114 -7.571 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 286 10.464 -6.554 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 286 11.988 -9.105 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 286 10.253 -9.342 0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 286 10.064 -7.788 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 286 11.784 -7.460 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 286 12.108 -10.058 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 286 10.421 -10.098 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 11.862 -9.702 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 10.871 -8.352 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 12.506 -8.313 -3.120 1.00 0.00 H new ATOM 334 N GLY A 287 13.801 -5.698 0.691 1.00 0.00 N ATOM 335 CA GLY A 287 14.865 -5.534 -0.339 1.00 0.00 C ATOM 336 C GLY A 287 14.325 -4.697 -1.498 1.00 0.00 C ATOM 337 O GLY A 287 14.965 -3.772 -1.959 1.00 0.00 O ATOM 0 H GLY A 287 13.541 -4.845 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 287 15.738 -5.049 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 287 15.190 -6.510 -0.701 1.00 0.00 H new ATOM 341 N ASP A 288 13.150 -5.009 -1.970 1.00 0.00 N ATOM 342 CA ASP A 288 12.569 -4.226 -3.095 1.00 0.00 C ATOM 343 C ASP A 288 11.970 -2.923 -2.566 1.00 0.00 C ATOM 344 O ASP A 288 10.820 -2.610 -2.807 1.00 0.00 O ATOM 345 CB ASP A 288 11.479 -5.122 -3.684 1.00 0.00 C ATOM 346 CG ASP A 288 11.443 -4.951 -5.204 1.00 0.00 C ATOM 347 OD1 ASP A 288 12.179 -5.654 -5.877 1.00 0.00 O ATOM 348 OD2 ASP A 288 10.681 -4.119 -5.669 1.00 0.00 O ATOM 0 H ASP A 288 12.568 -5.772 -1.625 1.00 0.00 H new ATOM 0 HA ASP A 288 13.315 -3.955 -3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 288 11.673 -6.164 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 288 10.511 -4.864 -3.255 1.00 0.00 H new ATOM 353 N VAL A 289 12.743 -2.161 -1.843 1.00 0.00 N ATOM 354 CA VAL A 289 12.224 -0.877 -1.293 1.00 0.00 C ATOM 355 C VAL A 289 11.733 0.021 -2.430 1.00 0.00 C ATOM 356 O VAL A 289 10.923 0.905 -2.230 1.00 0.00 O ATOM 357 CB VAL A 289 13.415 -0.241 -0.576 1.00 0.00 C ATOM 358 CG1 VAL A 289 12.930 0.931 0.279 1.00 0.00 C ATOM 359 CG2 VAL A 289 14.082 -1.283 0.325 1.00 0.00 C ATOM 0 H VAL A 289 13.713 -2.372 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 289 11.380 -1.025 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 289 14.133 0.118 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 289 13.779 1.384 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 289 12.452 1.674 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 289 12.213 0.571 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 289 14.932 -0.831 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 289 13.363 -1.641 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 289 14.427 -2.120 -0.281 1.00 0.00 H new ATOM 369 N GLU A 290 12.210 -0.200 -3.624 1.00 0.00 N ATOM 370 CA GLU A 290 11.764 0.637 -4.767 1.00 0.00 C ATOM 371 C GLU A 290 10.240 0.763 -4.750 1.00 0.00 C ATOM 372 O GLU A 290 9.695 1.820 -4.505 1.00 0.00 O ATOM 373 CB GLU A 290 12.226 -0.121 -6.011 1.00 0.00 C ATOM 374 CG GLU A 290 12.186 0.810 -7.224 1.00 0.00 C ATOM 375 CD GLU A 290 11.830 0.004 -8.475 1.00 0.00 C ATOM 376 OE1 GLU A 290 12.408 -1.055 -8.657 1.00 0.00 O ATOM 377 OE2 GLU A 290 10.987 0.460 -9.229 1.00 0.00 O ATOM 0 H GLU A 290 12.889 -0.925 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 290 12.171 1.647 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 290 13.238 -0.500 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 290 11.584 -0.985 -6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 290 11.451 1.599 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 290 13.153 1.296 -7.355 1.00 0.00 H new ATOM 384 N THR A 291 9.552 -0.315 -5.006 1.00 0.00 N ATOM 385 CA THR A 291 8.066 -0.272 -5.002 1.00 0.00 C ATOM 386 C THR A 291 7.561 0.354 -3.699 1.00 0.00 C ATOM 387 O THR A 291 6.679 1.190 -3.701 1.00 0.00 O ATOM 388 CB THR A 291 7.629 -1.734 -5.099 1.00 0.00 C ATOM 389 OG1 THR A 291 7.993 -2.251 -6.372 1.00 0.00 O ATOM 390 CG2 THR A 291 6.113 -1.829 -4.922 1.00 0.00 C ATOM 0 H THR A 291 9.958 -1.226 -5.218 1.00 0.00 H new ATOM 0 HA THR A 291 7.666 0.328 -5.819 1.00 0.00 H new ATOM 0 HB THR A 291 8.120 -2.313 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 291 8.765 -2.846 -6.275 1.00 0.00 H new ATOM 0 HG21 THR A 291 5.803 -2.872 -4.991 1.00 0.00 H new ATOM 0 HG22 THR A 291 5.835 -1.432 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 291 5.619 -1.251 -5.703 1.00 0.00 H new ATOM 398 N TYR A 292 8.116 -0.045 -2.587 1.00 0.00 N ATOM 399 CA TYR A 292 7.671 0.526 -1.284 1.00 0.00 C ATOM 400 C TYR A 292 7.600 2.052 -1.375 1.00 0.00 C ATOM 401 O TYR A 292 6.535 2.636 -1.340 1.00 0.00 O ATOM 402 CB TYR A 292 8.743 0.096 -0.281 1.00 0.00 C ATOM 403 CG TYR A 292 8.384 0.603 1.094 1.00 0.00 C ATOM 404 CD1 TYR A 292 7.041 0.692 1.481 1.00 0.00 C ATOM 405 CD2 TYR A 292 9.396 0.983 1.984 1.00 0.00 C ATOM 406 CE1 TYR A 292 6.711 1.161 2.759 1.00 0.00 C ATOM 407 CE2 TYR A 292 9.065 1.452 3.261 1.00 0.00 C ATOM 408 CZ TYR A 292 7.723 1.541 3.649 1.00 0.00 C ATOM 409 OH TYR A 292 7.397 2.003 4.907 1.00 0.00 O ATOM 0 H TYR A 292 8.858 -0.742 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 292 6.679 0.179 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 292 8.828 -0.991 -0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 292 9.715 0.488 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 292 6.260 0.399 0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 292 10.432 0.914 1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 292 5.675 1.230 3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 292 9.846 1.745 3.947 1.00 0.00 H new ATOM 0 HH TYR A 292 8.217 2.222 5.397 1.00 0.00 H new ATOM 419 N ARG A 293 8.725 2.701 -1.493 1.00 0.00 N ATOM 420 CA ARG A 293 8.722 4.187 -1.588 1.00 0.00 C ATOM 421 C ARG A 293 7.635 4.653 -2.559 1.00 0.00 C ATOM 422 O ARG A 293 6.695 5.323 -2.180 1.00 0.00 O ATOM 423 CB ARG A 293 10.109 4.552 -2.118 1.00 0.00 C ATOM 424 CG ARG A 293 11.162 4.246 -1.051 1.00 0.00 C ATOM 425 CD ARG A 293 12.462 3.804 -1.726 1.00 0.00 C ATOM 426 NE ARG A 293 12.671 4.779 -2.832 1.00 0.00 N ATOM 427 CZ ARG A 293 13.474 4.487 -3.821 1.00 0.00 C ATOM 428 NH1 ARG A 293 14.099 3.341 -3.844 1.00 0.00 N ATOM 429 NH2 ARG A 293 13.652 5.345 -4.788 1.00 0.00 N ATOM 0 H ARG A 293 9.647 2.266 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 293 8.514 4.662 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 293 10.322 3.988 -3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.142 5.609 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 293 11.341 5.129 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 293 10.802 3.463 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 293 13.296 3.818 -1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 293 12.383 2.786 -2.107 1.00 0.00 H new ATOM 0 HE ARG A 293 12.187 5.676 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 293 13.961 2.670 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 293 14.725 3.117 -4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 293 13.165 6.241 -4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 293 14.278 5.120 -5.561 1.00 0.00 H new ATOM 443 N LYS A 294 7.758 4.305 -3.812 1.00 0.00 N ATOM 444 CA LYS A 294 6.737 4.727 -4.811 1.00 0.00 C ATOM 445 C LYS A 294 5.328 4.590 -4.227 1.00 0.00 C ATOM 446 O LYS A 294 4.641 5.567 -4.007 1.00 0.00 O ATOM 447 CB LYS A 294 6.922 3.774 -5.992 1.00 0.00 C ATOM 448 CG LYS A 294 8.181 4.162 -6.769 1.00 0.00 C ATOM 449 CD LYS A 294 8.814 2.908 -7.376 1.00 0.00 C ATOM 450 CE LYS A 294 9.238 3.196 -8.818 1.00 0.00 C ATOM 451 NZ LYS A 294 8.198 2.545 -9.662 1.00 0.00 N ATOM 0 H LYS A 294 8.524 3.745 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 294 6.856 5.770 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 294 7.004 2.747 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 294 6.051 3.815 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 294 7.930 4.873 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 294 8.892 4.657 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 294 9.678 2.602 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 294 8.104 2.082 -7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 294 9.287 4.268 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 294 10.228 2.790 -9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 8.420 2.699 -10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 8.179 1.524 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 7.268 2.957 -9.446 1.00 0.00 H new ATOM 465 N LEU A 295 4.892 3.384 -3.979 1.00 0.00 N ATOM 466 CA LEU A 295 3.528 3.183 -3.414 1.00 0.00 C ATOM 467 C LEU A 295 3.247 4.221 -2.324 1.00 0.00 C ATOM 468 O LEU A 295 2.440 5.112 -2.498 1.00 0.00 O ATOM 469 CB LEU A 295 3.546 1.774 -2.823 1.00 0.00 C ATOM 470 CG LEU A 295 2.577 0.882 -3.601 1.00 0.00 C ATOM 471 CD1 LEU A 295 3.267 -0.436 -3.955 1.00 0.00 C ATOM 472 CD2 LEU A 295 1.345 0.596 -2.739 1.00 0.00 C ATOM 0 H LEU A 295 5.423 2.529 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 295 2.749 3.297 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 295 4.554 1.362 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 295 3.263 1.806 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 295 2.272 1.389 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 295 2.576 -1.071 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 295 4.145 -0.234 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 295 3.572 -0.944 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 295 0.654 -0.040 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 295 1.651 0.089 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 295 0.852 1.535 -2.486 1.00 0.00 H new ATOM 484 N LYS A 296 3.907 4.112 -1.203 1.00 0.00 N ATOM 485 CA LYS A 296 3.678 5.093 -0.107 1.00 0.00 C ATOM 486 C LYS A 296 3.593 6.509 -0.680 1.00 0.00 C ATOM 487 O LYS A 296 2.611 7.202 -0.505 1.00 0.00 O ATOM 488 CB LYS A 296 4.894 4.955 0.811 1.00 0.00 C ATOM 489 CG LYS A 296 4.845 6.038 1.891 1.00 0.00 C ATOM 490 CD LYS A 296 6.243 6.627 2.088 1.00 0.00 C ATOM 491 CE LYS A 296 6.367 7.183 3.509 1.00 0.00 C ATOM 492 NZ LYS A 296 7.276 8.356 3.382 1.00 0.00 N ATOM 0 H LYS A 296 4.594 3.386 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 296 2.745 4.909 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 296 4.905 3.967 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 296 5.813 5.046 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 296 4.146 6.823 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 296 4.481 5.616 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 296 6.999 5.861 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 296 6.422 7.418 1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 296 5.395 7.477 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 296 6.776 6.438 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 7.411 8.793 4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 8.195 8.044 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 6.857 9.051 2.732 1.00 0.00 H new ATOM 506 N ALA A 297 4.614 6.941 -1.369 1.00 0.00 N ATOM 507 CA ALA A 297 4.589 8.308 -1.957 1.00 0.00 C ATOM 508 C ALA A 297 3.245 8.556 -2.648 1.00 0.00 C ATOM 509 O ALA A 297 2.467 9.392 -2.234 1.00 0.00 O ATOM 510 CB ALA A 297 5.728 8.322 -2.976 1.00 0.00 C ATOM 0 H ALA A 297 5.463 6.406 -1.549 1.00 0.00 H new ATOM 0 HA ALA A 297 4.709 9.087 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 297 5.776 9.300 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.672 8.120 -2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 297 5.550 7.556 -3.731 1.00 0.00 H new ATOM 516 N LYS A 298 2.968 7.833 -3.700 1.00 0.00 N ATOM 517 CA LYS A 298 1.679 8.023 -4.418 1.00 0.00 C ATOM 518 C LYS A 298 0.523 8.117 -3.417 1.00 0.00 C ATOM 519 O LYS A 298 -0.184 9.104 -3.362 1.00 0.00 O ATOM 520 CB LYS A 298 1.528 6.780 -5.295 1.00 0.00 C ATOM 521 CG LYS A 298 0.227 6.873 -6.094 1.00 0.00 C ATOM 522 CD LYS A 298 0.054 5.610 -6.939 1.00 0.00 C ATOM 523 CE LYS A 298 0.053 5.984 -8.423 1.00 0.00 C ATOM 524 NZ LYS A 298 -0.287 4.721 -9.137 1.00 0.00 N ATOM 0 H LYS A 298 3.581 7.118 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 298 1.665 8.941 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 298 2.378 6.695 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 298 1.523 5.883 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -0.620 6.989 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 298 0.245 7.753 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 298 0.861 4.907 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -0.879 5.110 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -0.677 6.765 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 298 1.026 6.365 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -0.307 4.896 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 0.429 3.998 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -1.221 4.386 -8.825 1.00 0.00 H new ATOM 538 N LEU A 299 0.326 7.095 -2.629 1.00 0.00 N ATOM 539 CA LEU A 299 -0.782 7.118 -1.634 1.00 0.00 C ATOM 540 C LEU A 299 -0.867 8.492 -0.962 1.00 0.00 C ATOM 541 O LEU A 299 -1.926 8.934 -0.565 1.00 0.00 O ATOM 542 CB LEU A 299 -0.418 6.042 -0.610 1.00 0.00 C ATOM 543 CG LEU A 299 -0.744 4.662 -1.182 1.00 0.00 C ATOM 544 CD1 LEU A 299 0.216 3.626 -0.596 1.00 0.00 C ATOM 545 CD2 LEU A 299 -2.182 4.287 -0.817 1.00 0.00 C ATOM 0 H LEU A 299 0.887 6.243 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 299 -1.752 6.932 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.642 6.104 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 299 -0.971 6.204 0.315 1.00 0.00 H new ATOM 0 HG LEU A 299 -0.637 4.684 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -0.017 2.642 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 299 1.241 3.893 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 299 0.109 3.603 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -2.416 3.303 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 299 -2.288 4.265 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 299 -2.867 5.025 -1.234 1.00 0.00 H new ATOM 557 N LYS A 300 0.241 9.170 -0.833 1.00 0.00 N ATOM 558 CA LYS A 300 0.222 10.514 -0.187 1.00 0.00 C ATOM 559 C LYS A 300 -0.979 11.323 -0.687 1.00 0.00 C ATOM 560 O LYS A 300 -1.629 12.017 0.069 1.00 0.00 O ATOM 561 CB LYS A 300 1.531 11.178 -0.614 1.00 0.00 C ATOM 562 CG LYS A 300 1.660 12.539 0.074 1.00 0.00 C ATOM 563 CD LYS A 300 1.411 12.378 1.575 1.00 0.00 C ATOM 564 CE LYS A 300 1.760 13.683 2.295 1.00 0.00 C ATOM 565 NZ LYS A 300 0.452 14.233 2.749 1.00 0.00 N ATOM 0 H LYS A 300 1.158 8.852 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 300 0.133 10.450 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 300 2.377 10.543 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 300 1.552 11.302 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 300 2.654 12.953 -0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 300 0.944 13.242 -0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 300 0.368 12.119 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 300 2.015 11.561 1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 300 2.427 13.503 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 300 2.270 14.378 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 0.608 15.130 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 -0.159 14.401 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 -0.008 13.553 3.388 1.00 0.00 H new ATOM 579 N GLY A 301 -1.278 11.238 -1.954 1.00 0.00 N ATOM 580 CA GLY A 301 -2.436 12.002 -2.499 1.00 0.00 C ATOM 581 C GLY A 301 -3.631 11.857 -1.556 1.00 0.00 C ATOM 582 O GLY A 301 -4.358 12.799 -1.310 1.00 0.00 O ATOM 0 H GLY A 301 -0.771 10.673 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 301 -2.172 13.054 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 301 -2.695 11.632 -3.491 1.00 0.00 H new ATOM 586 N ILE A 302 -3.840 10.684 -1.024 1.00 0.00 N ATOM 587 CA ILE A 302 -4.988 10.481 -0.095 1.00 0.00 C ATOM 588 C ILE A 302 -4.714 11.172 1.243 1.00 0.00 C ATOM 589 O ILE A 302 -3.588 11.253 1.692 1.00 0.00 O ATOM 590 CB ILE A 302 -5.082 8.967 0.092 1.00 0.00 C ATOM 591 CG1 ILE A 302 -5.238 8.293 -1.273 1.00 0.00 C ATOM 592 CG2 ILE A 302 -6.294 8.635 0.965 1.00 0.00 C ATOM 593 CD1 ILE A 302 -4.901 6.806 -1.150 1.00 0.00 C ATOM 0 H ILE A 302 -3.266 9.858 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 302 -5.915 10.902 -0.485 1.00 0.00 H new ATOM 0 HB ILE A 302 -4.175 8.604 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 302 -6.258 8.417 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 302 -4.580 8.767 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 302 -6.361 7.555 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 302 -6.184 9.115 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 302 -7.201 8.998 0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 302 -5.012 6.326 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 302 -3.873 6.693 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 302 -5.577 6.338 -0.435 1.00 0.00 H new ATOM 605 N ARG A 303 -5.735 11.671 1.883 1.00 0.00 N ATOM 606 CA ARG A 303 -5.532 12.356 3.192 1.00 0.00 C ATOM 607 C ARG A 303 -5.132 11.340 4.265 1.00 0.00 C ATOM 608 O ARG A 303 -5.961 10.513 4.608 1.00 0.00 O ATOM 609 CB ARG A 303 -6.886 12.984 3.524 1.00 0.00 C ATOM 610 CG ARG A 303 -6.694 14.097 4.555 1.00 0.00 C ATOM 611 CD ARG A 303 -6.792 13.509 5.965 1.00 0.00 C ATOM 612 NE ARG A 303 -6.547 14.659 6.878 1.00 0.00 N ATOM 613 CZ ARG A 303 -7.461 15.580 7.034 1.00 0.00 C ATOM 614 NH1 ARG A 303 -8.593 15.499 6.387 1.00 0.00 N ATOM 615 NH2 ARG A 303 -7.241 16.585 7.837 1.00 0.00 N ATOM 616 OXT ARG A 303 -4.004 11.406 4.724 1.00 0.00 O ATOM 0 H ARG A 303 -6.701 11.635 1.557 1.00 0.00 H new ATOM 0 HA ARG A 303 -4.737 13.101 3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -7.343 13.386 2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -7.565 12.225 3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -5.724 14.574 4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -7.451 14.869 4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -7.773 13.067 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -6.055 12.721 6.116 1.00 0.00 H new ATOM 0 HE ARG A 303 -5.664 14.728 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -8.766 14.715 5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -9.304 16.220 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -6.357 16.651 8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -7.953 17.305 7.960 1.00 0.00 H new TER 630 ARG A 303