USER MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 180 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 272 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 273 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 275 GLN : amide:sc= -0.0148 K(o=-0.015,f=-0.56) USER MOD Single : A 282 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 284 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 267 16.449 2.478 6.501 1.00 0.00 N ATOM 2 CA PRO A 267 15.944 3.831 6.003 1.00 0.00 C ATOM 3 C PRO A 267 14.869 3.760 4.942 1.00 0.00 C ATOM 4 O PRO A 267 14.918 4.460 3.923 1.00 0.00 O ATOM 5 CB PRO A 267 17.159 4.535 5.410 1.00 0.00 C ATOM 6 CG PRO A 267 18.267 4.037 6.352 1.00 0.00 C ATOM 7 CD PRO A 267 17.928 2.556 6.557 1.00 0.00 C ATOM 0 HA PRO A 267 15.485 4.349 6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 267 17.338 4.249 4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 267 17.058 5.620 5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 267 19.256 4.165 5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 267 18.266 4.583 7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 267 18.383 1.938 5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 267 18.304 2.196 7.515 1.00 0.00 H new ATOM 17 N LEU A 268 13.888 2.903 5.154 1.00 0.00 N ATOM 18 CA LEU A 268 12.751 2.789 4.240 1.00 0.00 C ATOM 19 C LEU A 268 11.599 3.640 4.723 1.00 0.00 C ATOM 20 O LEU A 268 11.661 4.883 4.649 1.00 0.00 O ATOM 21 CB LEU A 268 12.364 1.291 4.050 1.00 0.00 C ATOM 22 CG LEU A 268 11.174 0.949 3.114 1.00 0.00 C ATOM 23 CD1 LEU A 268 11.585 0.876 1.632 1.00 0.00 C ATOM 24 CD2 LEU A 268 10.536 -0.384 3.534 1.00 0.00 C ATOM 0 H LEU A 268 13.850 2.270 5.953 1.00 0.00 H new ATOM 0 HA LEU A 268 13.030 3.171 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 268 13.243 0.766 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 268 12.142 0.878 5.034 1.00 0.00 H new ATOM 0 HG LEU A 268 10.452 1.760 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 268 10.713 0.634 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 268 11.990 1.838 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 268 12.344 0.104 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 268 9.702 -0.613 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 268 11.279 -1.179 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 268 10.173 -0.307 4.559 1.00 0.00 H new ATOM 36 N VAL A 269 10.551 3.040 5.251 1.00 0.00 N ATOM 37 CA VAL A 269 9.401 3.781 5.769 1.00 0.00 C ATOM 38 C VAL A 269 8.908 4.809 4.777 1.00 0.00 C ATOM 39 O VAL A 269 8.217 5.773 5.127 1.00 0.00 O ATOM 40 CB VAL A 269 9.792 4.467 7.139 1.00 0.00 C ATOM 41 CG1 VAL A 269 10.212 5.962 7.072 1.00 0.00 C ATOM 42 CG2 VAL A 269 8.685 4.398 8.217 1.00 0.00 C ATOM 0 H VAL A 269 10.465 2.027 5.336 1.00 0.00 H new ATOM 0 HA VAL A 269 8.584 3.079 5.936 1.00 0.00 H new ATOM 0 HB VAL A 269 10.659 3.862 7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 269 10.456 6.317 8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 269 11.085 6.066 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 269 9.390 6.553 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 269 9.031 4.890 9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 269 7.789 4.900 7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 269 8.454 3.355 8.435 1.00 0.00 H new ATOM 52 N GLU A 270 9.230 4.604 3.514 1.00 0.00 N ATOM 53 CA GLU A 270 8.981 5.605 2.480 1.00 0.00 C ATOM 54 C GLU A 270 8.548 4.958 1.184 1.00 0.00 C ATOM 55 O GLU A 270 7.568 5.368 0.550 1.00 0.00 O ATOM 56 CB GLU A 270 10.275 6.444 2.284 1.00 0.00 C ATOM 57 CG GLU A 270 10.154 7.996 2.436 1.00 0.00 C ATOM 58 CD GLU A 270 10.873 8.884 1.417 1.00 0.00 C ATOM 59 OE1 GLU A 270 12.201 8.612 1.293 1.00 0.00 O ATOM 60 OE2 GLU A 270 10.303 9.757 0.775 1.00 0.00 O ATOM 0 H GLU A 270 9.668 3.749 3.172 1.00 0.00 H new ATOM 0 HA GLU A 270 8.166 6.258 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 270 11.017 6.092 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 270 10.667 6.232 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 270 9.095 8.251 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 270 10.522 8.263 3.427 1.00 0.00 H new ATOM 67 N ASP A 271 9.288 3.955 0.751 1.00 0.00 N ATOM 68 CA ASP A 271 8.892 3.145 -0.398 1.00 0.00 C ATOM 69 C ASP A 271 7.580 2.440 -0.139 1.00 0.00 C ATOM 70 O ASP A 271 6.736 2.290 -1.029 1.00 0.00 O ATOM 71 CB ASP A 271 10.020 2.146 -0.767 1.00 0.00 C ATOM 72 CG ASP A 271 9.666 1.050 -1.783 1.00 0.00 C ATOM 73 OD1 ASP A 271 9.081 0.022 -1.476 1.00 0.00 O ATOM 74 OD2 ASP A 271 10.054 1.361 -3.056 1.00 0.00 O ATOM 0 H ASP A 271 10.172 3.676 1.177 1.00 0.00 H new ATOM 0 HA ASP A 271 8.737 3.804 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 271 10.863 2.715 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 271 10.360 1.663 0.149 1.00 0.00 H new ATOM 79 N MET A 272 7.388 1.996 1.089 1.00 0.00 N ATOM 80 CA MET A 272 6.252 1.148 1.440 1.00 0.00 C ATOM 81 C MET A 272 5.200 1.937 2.185 1.00 0.00 C ATOM 82 O MET A 272 4.532 1.435 3.096 1.00 0.00 O ATOM 83 CB MET A 272 6.734 -0.064 2.284 1.00 0.00 C ATOM 84 CG MET A 272 5.858 -1.332 2.204 1.00 0.00 C ATOM 85 SD MET A 272 6.087 -2.327 3.686 1.00 0.00 S ATOM 86 CE MET A 272 5.825 -3.951 2.960 1.00 0.00 C ATOM 0 H MET A 272 8.008 2.208 1.871 1.00 0.00 H new ATOM 0 HA MET A 272 5.799 0.776 0.521 1.00 0.00 H new ATOM 0 HB2 MET A 272 7.744 -0.323 1.968 1.00 0.00 H new ATOM 0 HB3 MET A 272 6.796 0.246 3.327 1.00 0.00 H new ATOM 0 HG2 MET A 272 4.809 -1.054 2.100 1.00 0.00 H new ATOM 0 HG3 MET A 272 6.123 -1.913 1.321 1.00 0.00 H new ATOM 0 HE1 MET A 272 5.927 -4.715 3.731 1.00 0.00 H new ATOM 0 HE2 MET A 272 4.825 -4.000 2.530 1.00 0.00 H new ATOM 0 HE3 MET A 272 6.565 -4.124 2.178 1.00 0.00 H new ATOM 96 N GLN A 273 5.023 3.185 1.793 1.00 0.00 N ATOM 97 CA GLN A 273 3.953 4.023 2.328 1.00 0.00 C ATOM 98 C GLN A 273 3.550 5.083 1.329 1.00 0.00 C ATOM 99 O GLN A 273 3.369 6.259 1.663 1.00 0.00 O ATOM 100 CB GLN A 273 4.433 4.662 3.649 1.00 0.00 C ATOM 101 CG GLN A 273 3.319 5.023 4.687 1.00 0.00 C ATOM 102 CD GLN A 273 3.640 6.007 5.819 1.00 0.00 C ATOM 103 OE1 GLN A 273 2.834 6.855 6.165 1.00 0.00 O ATOM 104 NE2 GLN A 273 4.793 5.942 6.433 1.00 0.00 N ATOM 0 H GLN A 273 5.610 3.649 1.100 1.00 0.00 H new ATOM 0 HA GLN A 273 3.073 3.410 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 273 5.136 3.978 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 273 4.985 5.571 3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 273 2.472 5.427 4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 273 2.985 4.093 5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 273 5.479 5.239 6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 273 5.006 6.594 7.188 1.00 0.00 H new ATOM 113 N ARG A 274 3.395 4.677 0.082 1.00 0.00 N ATOM 114 CA ARG A 274 2.837 5.542 -0.953 1.00 0.00 C ATOM 115 C ARG A 274 2.181 4.730 -2.045 1.00 0.00 C ATOM 116 O ARG A 274 0.952 4.711 -2.192 1.00 0.00 O ATOM 117 CB ARG A 274 3.968 6.443 -1.522 1.00 0.00 C ATOM 118 CG ARG A 274 3.482 7.625 -2.402 1.00 0.00 C ATOM 119 CD ARG A 274 3.957 7.510 -3.856 1.00 0.00 C ATOM 120 NE ARG A 274 5.442 7.488 -3.863 1.00 0.00 N ATOM 121 CZ ARG A 274 6.228 8.554 -3.800 1.00 0.00 C ATOM 122 NH1 ARG A 274 5.799 9.779 -3.720 1.00 0.00 N ATOM 123 NH2 ARG A 274 7.499 8.357 -3.820 1.00 0.00 N ATOM 0 H ARG A 274 3.649 3.745 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 274 2.062 6.173 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 274 4.547 6.843 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 274 4.644 5.824 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 274 2.393 7.665 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 274 3.844 8.562 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 274 3.562 6.603 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 274 3.587 8.350 -4.443 1.00 0.00 H new ATOM 0 HE ARG A 274 5.895 6.576 -3.921 1.00 0.00 H new ATOM 0 HH11 ARG A 274 4.797 9.968 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 274 6.465 10.551 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 274 7.867 7.408 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 274 8.139 9.150 -3.773 1.00 0.00 H new ATOM 137 N GLN A 275 2.985 4.019 -2.813 1.00 0.00 N ATOM 138 CA GLN A 275 2.474 3.067 -3.796 1.00 0.00 C ATOM 139 C GLN A 275 1.853 1.869 -3.116 1.00 0.00 C ATOM 140 O GLN A 275 0.824 1.337 -3.548 1.00 0.00 O ATOM 141 CB GLN A 275 3.635 2.638 -4.720 1.00 0.00 C ATOM 142 CG GLN A 275 4.387 3.789 -5.465 1.00 0.00 C ATOM 143 CD GLN A 275 5.918 3.848 -5.396 1.00 0.00 C ATOM 144 OE1 GLN A 275 6.529 3.340 -4.470 1.00 0.00 O ATOM 145 NE2 GLN A 275 6.593 4.433 -6.353 1.00 0.00 N ATOM 0 H GLN A 275 4.003 4.080 -2.778 1.00 0.00 H new ATOM 0 HA GLN A 275 1.693 3.541 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 275 4.361 2.085 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 275 3.242 1.947 -5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 275 4.108 3.737 -6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 275 4.004 4.734 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 275 6.100 4.863 -7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 275 7.612 4.459 -6.316 1.00 0.00 H new ATOM 154 N TRP A 276 2.483 1.411 -2.051 1.00 0.00 N ATOM 155 CA TRP A 276 2.001 0.254 -1.302 1.00 0.00 C ATOM 156 C TRP A 276 0.574 0.458 -0.849 1.00 0.00 C ATOM 157 O TRP A 276 -0.250 -0.464 -0.854 1.00 0.00 O ATOM 158 CB TRP A 276 2.919 0.032 -0.065 1.00 0.00 C ATOM 159 CG TRP A 276 2.393 -0.997 0.942 1.00 0.00 C ATOM 160 CD1 TRP A 276 2.229 -0.816 2.329 1.00 0.00 C ATOM 161 CD2 TRP A 276 1.931 -2.270 0.671 1.00 0.00 C ATOM 162 NE1 TRP A 276 1.663 -1.954 2.939 1.00 0.00 N ATOM 163 CE2 TRP A 276 1.489 -2.842 1.890 1.00 0.00 C ATOM 164 CE3 TRP A 276 1.827 -2.995 -0.548 1.00 0.00 C ATOM 165 CZ2 TRP A 276 0.963 -4.153 1.903 1.00 0.00 C ATOM 166 CZ3 TRP A 276 1.359 -4.307 -0.499 1.00 0.00 C ATOM 167 CH2 TRP A 276 0.940 -4.881 0.710 1.00 0.00 C ATOM 0 H TRP A 276 3.338 1.823 -1.678 1.00 0.00 H new ATOM 0 HA TRP A 276 2.028 -0.621 -1.951 1.00 0.00 H new ATOM 0 HB2 TRP A 276 3.902 -0.287 -0.411 1.00 0.00 H new ATOM 0 HB3 TRP A 276 3.055 0.985 0.446 1.00 0.00 H new ATOM 0 HD1 TRP A 276 2.503 0.084 2.860 1.00 0.00 H new ATOM 0 HE1 TRP A 276 1.435 -2.092 3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 276 2.104 -2.541 -1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 0.586 -4.585 2.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 1.318 -4.891 -1.407 1.00 0.00 H new ATOM 0 HH2 TRP A 276 0.593 -5.904 0.719 1.00 0.00 H new ATOM 178 N ALA A 277 0.261 1.672 -0.434 1.00 0.00 N ATOM 179 CA ALA A 277 -1.060 1.993 0.099 1.00 0.00 C ATOM 180 C ALA A 277 -2.113 1.926 -0.983 1.00 0.00 C ATOM 181 O ALA A 277 -3.293 1.660 -0.724 1.00 0.00 O ATOM 182 CB ALA A 277 -0.971 3.381 0.757 1.00 0.00 C ATOM 0 H ALA A 277 0.907 2.461 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 277 -1.365 1.262 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 277 -1.944 3.652 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 277 -0.233 3.357 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 277 -0.673 4.118 0.012 1.00 0.00 H new ATOM 188 N GLY A 278 -1.713 2.194 -2.211 1.00 0.00 N ATOM 189 CA GLY A 278 -2.603 2.060 -3.361 1.00 0.00 C ATOM 190 C GLY A 278 -3.163 0.660 -3.454 1.00 0.00 C ATOM 191 O GLY A 278 -4.366 0.451 -3.647 1.00 0.00 O ATOM 0 H GLY A 278 -0.771 2.509 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 278 -3.420 2.777 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 278 -2.060 2.299 -4.275 1.00 0.00 H new ATOM 195 N LEU A 279 -2.299 -0.325 -3.303 1.00 0.00 N ATOM 196 CA LEU A 279 -2.661 -1.724 -3.532 1.00 0.00 C ATOM 197 C LEU A 279 -3.036 -2.416 -2.242 1.00 0.00 C ATOM 198 O LEU A 279 -2.892 -3.638 -2.097 1.00 0.00 O ATOM 199 CB LEU A 279 -1.502 -2.480 -4.244 1.00 0.00 C ATOM 200 CG LEU A 279 -0.802 -1.782 -5.442 1.00 0.00 C ATOM 201 CD1 LEU A 279 0.471 -1.026 -5.028 1.00 0.00 C ATOM 202 CD2 LEU A 279 -0.461 -2.812 -6.528 1.00 0.00 C ATOM 0 H LEU A 279 -1.329 -0.187 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 279 -3.536 -1.739 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -0.741 -2.703 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -1.893 -3.435 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 279 -1.504 -1.046 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 279 0.918 -0.558 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.217 -0.258 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 279 1.182 -1.725 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.029 -2.312 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 279 0.207 -3.568 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -1.377 -3.289 -6.878 1.00 0.00 H new ATOM 214 N VAL A 280 -3.529 -1.657 -1.282 1.00 0.00 N ATOM 215 CA VAL A 280 -4.046 -2.214 -0.032 1.00 0.00 C ATOM 216 C VAL A 280 -5.457 -1.743 0.232 1.00 0.00 C ATOM 217 O VAL A 280 -6.386 -2.541 0.412 1.00 0.00 O ATOM 218 CB VAL A 280 -3.093 -1.826 1.167 1.00 0.00 C ATOM 219 CG1 VAL A 280 -3.797 -1.795 2.545 1.00 0.00 C ATOM 220 CG2 VAL A 280 -1.838 -2.722 1.368 1.00 0.00 C ATOM 0 H VAL A 280 -3.585 -0.640 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 280 -4.072 -3.300 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 280 -2.782 -0.833 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 280 -3.077 -1.521 3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 280 -4.604 -1.062 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 280 -4.207 -2.780 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 280 -1.263 -2.357 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 280 -2.151 -3.749 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 280 -1.219 -2.688 0.471 1.00 0.00 H new ATOM 230 N GLU A 281 -5.640 -0.437 0.280 1.00 0.00 N ATOM 231 CA GLU A 281 -6.954 0.151 0.526 1.00 0.00 C ATOM 232 C GLU A 281 -7.923 -0.213 -0.574 1.00 0.00 C ATOM 233 O GLU A 281 -9.114 -0.449 -0.342 1.00 0.00 O ATOM 234 CB GLU A 281 -6.796 1.693 0.649 1.00 0.00 C ATOM 235 CG GLU A 281 -7.694 2.425 1.700 1.00 0.00 C ATOM 236 CD GLU A 281 -7.864 3.941 1.581 1.00 0.00 C ATOM 237 OE1 GLU A 281 -7.612 4.561 0.556 1.00 0.00 O ATOM 238 OE2 GLU A 281 -8.319 4.534 2.720 1.00 0.00 O ATOM 0 H GLU A 281 -4.893 0.245 0.152 1.00 0.00 H new ATOM 0 HA GLU A 281 -7.363 -0.245 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 281 -5.754 1.907 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 281 -6.995 2.132 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 281 -8.686 1.975 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 281 -7.288 2.213 2.689 1.00 0.00 H new ATOM 245 N LYS A 282 -7.430 -0.254 -1.798 1.00 0.00 N ATOM 246 CA LYS A 282 -8.245 -0.624 -2.952 1.00 0.00 C ATOM 247 C LYS A 282 -8.699 -2.062 -2.854 1.00 0.00 C ATOM 248 O LYS A 282 -9.850 -2.402 -3.152 1.00 0.00 O ATOM 249 CB LYS A 282 -7.435 -0.384 -4.257 1.00 0.00 C ATOM 250 CG LYS A 282 -8.326 -0.157 -5.504 1.00 0.00 C ATOM 251 CD LYS A 282 -7.803 -0.798 -6.793 1.00 0.00 C ATOM 252 CE LYS A 282 -8.175 0.090 -7.988 1.00 0.00 C ATOM 253 NZ LYS A 282 -7.006 0.897 -8.381 1.00 0.00 N ATOM 0 H LYS A 282 -6.460 -0.034 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 282 -9.138 0.000 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -6.788 0.483 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -6.786 -1.241 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -9.322 -0.550 -5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -8.433 0.916 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -6.721 -0.920 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -8.231 -1.793 -6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -8.503 -0.526 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -9.009 0.741 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -7.256 1.499 -9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -6.713 1.495 -7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -6.223 0.267 -8.648 1.00 0.00 H new ATOM 267 N VAL A 283 -7.793 -2.938 -2.462 1.00 0.00 N ATOM 268 CA VAL A 283 -8.090 -4.365 -2.349 1.00 0.00 C ATOM 269 C VAL A 283 -9.038 -4.658 -1.209 1.00 0.00 C ATOM 270 O VAL A 283 -9.612 -5.756 -1.118 1.00 0.00 O ATOM 271 CB VAL A 283 -6.746 -5.179 -2.173 1.00 0.00 C ATOM 272 CG1 VAL A 283 -6.958 -6.632 -1.676 1.00 0.00 C ATOM 273 CG2 VAL A 283 -5.843 -5.305 -3.432 1.00 0.00 C ATOM 0 H VAL A 283 -6.836 -2.689 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 283 -8.587 -4.677 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 283 -6.245 -4.557 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 283 -5.992 -7.128 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 283 -7.457 -6.616 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 283 -7.575 -7.175 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 283 -4.953 -5.884 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 283 -6.394 -5.808 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 283 -5.548 -4.311 -3.769 1.00 0.00 H new ATOM 283 N GLN A 284 -9.203 -3.717 -0.299 1.00 0.00 N ATOM 284 CA GLN A 284 -10.216 -3.817 0.749 1.00 0.00 C ATOM 285 C GLN A 284 -11.596 -3.518 0.213 1.00 0.00 C ATOM 286 O GLN A 284 -12.583 -4.182 0.558 1.00 0.00 O ATOM 287 CB GLN A 284 -9.841 -2.841 1.890 1.00 0.00 C ATOM 288 CG GLN A 284 -8.668 -3.291 2.823 1.00 0.00 C ATOM 289 CD GLN A 284 -8.781 -3.058 4.334 1.00 0.00 C ATOM 290 OE1 GLN A 284 -9.284 -3.894 5.066 1.00 0.00 O ATOM 291 NE2 GLN A 284 -8.310 -1.957 4.862 1.00 0.00 N ATOM 0 H GLN A 284 -8.645 -2.864 -0.260 1.00 0.00 H new ATOM 0 HA GLN A 284 -10.241 -4.838 1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 284 -9.578 -1.880 1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 284 -10.725 -2.677 2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 284 -8.516 -4.359 2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 284 -7.765 -2.787 2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 284 -7.886 -1.246 4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 284 -8.367 -1.810 5.870 1.00 0.00 H new ATOM 300 N ALA A 285 -11.700 -2.496 -0.615 1.00 0.00 N ATOM 301 CA ALA A 285 -12.980 -2.100 -1.198 1.00 0.00 C ATOM 302 C ALA A 285 -13.660 -3.276 -1.860 1.00 0.00 C ATOM 303 O ALA A 285 -14.866 -3.500 -1.712 1.00 0.00 O ATOM 304 CB ALA A 285 -12.713 -0.941 -2.174 1.00 0.00 C ATOM 0 H ALA A 285 -10.911 -1.918 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 285 -13.669 -1.760 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 285 -13.652 -0.623 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 285 -12.269 -0.105 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 285 -12.028 -1.273 -2.955 1.00 0.00 H new ATOM 310 N ALA A 286 -12.897 -4.034 -2.626 1.00 0.00 N ATOM 311 CA ALA A 286 -13.368 -5.298 -3.186 1.00 0.00 C ATOM 312 C ALA A 286 -13.431 -6.379 -2.131 1.00 0.00 C ATOM 313 O ALA A 286 -14.265 -7.293 -2.192 1.00 0.00 O ATOM 314 CB ALA A 286 -12.436 -5.664 -4.354 1.00 0.00 C ATOM 0 H ALA A 286 -11.938 -3.797 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 286 -14.388 -5.197 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 286 -12.760 -6.606 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 286 -12.471 -4.878 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 286 -11.415 -5.768 -3.986 1.00 0.00 H new ATOM 320 N VAL A 287 -12.535 -6.316 -1.164 1.00 0.00 N ATOM 321 CA VAL A 287 -12.482 -7.296 -0.082 1.00 0.00 C ATOM 322 C VAL A 287 -12.428 -8.704 -0.630 1.00 0.00 C ATOM 323 O VAL A 287 -13.094 -9.625 -0.144 1.00 0.00 O ATOM 324 CB VAL A 287 -13.724 -7.103 0.876 1.00 0.00 C ATOM 325 CG1 VAL A 287 -15.065 -7.754 0.439 1.00 0.00 C ATOM 326 CG2 VAL A 287 -13.480 -7.607 2.322 1.00 0.00 C ATOM 0 H VAL A 287 -11.823 -5.588 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 287 -11.571 -7.136 0.494 1.00 0.00 H new ATOM 0 HB VAL A 287 -13.824 -6.019 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 287 -15.831 -7.544 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 287 -15.373 -7.343 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 287 -14.933 -8.832 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 287 -14.376 -7.442 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 287 -13.248 -8.672 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 287 -12.644 -7.062 2.761 1.00 0.00 H new ATOM 336 N GLY A 288 -11.599 -8.901 -1.640 1.00 0.00 N ATOM 337 CA GLY A 288 -11.314 -10.237 -2.158 1.00 0.00 C ATOM 338 C GLY A 288 -9.895 -10.324 -2.672 1.00 0.00 C ATOM 339 O GLY A 288 -9.627 -10.195 -3.872 1.00 0.00 O ATOM 0 H GLY A 288 -11.106 -8.150 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 288 -11.466 -10.977 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 288 -12.011 -10.477 -2.961 1.00 0.00 H new ATOM 343 N THR A 289 -8.964 -10.576 -1.771 1.00 0.00 N ATOM 344 CA THR A 289 -7.542 -10.569 -2.102 1.00 0.00 C ATOM 345 C THR A 289 -7.184 -11.747 -2.976 1.00 0.00 C ATOM 346 O THR A 289 -7.760 -12.873 -2.857 1.00 0.00 O ATOM 347 CB THR A 289 -6.674 -10.564 -0.798 1.00 0.00 C ATOM 348 OG1 THR A 289 -5.373 -10.059 -1.068 1.00 0.00 O ATOM 349 CG2 THR A 289 -6.427 -11.936 -0.135 1.00 0.00 C ATOM 350 OXT THR A 289 -6.273 -11.545 -3.837 1.00 0.00 O ATOM 0 H THR A 289 -9.165 -10.790 -0.794 1.00 0.00 H new ATOM 0 HA THR A 289 -7.329 -9.658 -2.662 1.00 0.00 H new ATOM 0 HB THR A 289 -7.269 -9.951 -0.121 1.00 0.00 H new ATOM 0 HG1 THR A 289 -4.844 -10.061 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 289 -5.815 -11.804 0.757 1.00 0.00 H new ATOM 0 HG22 THR A 289 -7.382 -12.383 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 289 -5.910 -12.591 -0.836 1.00 0.00 H new TER 358 THR A 289