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= -0.385 X(o=-0.39,f=-0.014) USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) 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 21:sc= 0.00081 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 267 15.477 5.102 2.565 1.00 0.00 N ATOM 2 CA PRO A 267 13.981 5.147 2.257 1.00 0.00 C ATOM 3 C PRO A 267 13.290 3.802 2.258 1.00 0.00 C ATOM 4 O PRO A 267 12.649 3.396 1.282 1.00 0.00 O ATOM 5 CB PRO A 267 13.861 5.751 0.864 1.00 0.00 C ATOM 6 CG PRO A 267 15.124 5.185 0.194 1.00 0.00 C ATOM 7 CD PRO A 267 16.195 5.303 1.283 1.00 0.00 C ATOM 0 HA PRO A 267 13.492 5.723 3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 267 12.949 5.439 0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 267 13.858 6.841 0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 267 14.982 4.150 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 267 15.394 5.753 -0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 267 16.976 4.555 1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 267 16.680 6.279 1.253 1.00 0.00 H new ATOM 17 N LEU A 268 13.394 3.096 3.368 1.00 0.00 N ATOM 18 CA LEU A 268 12.671 1.843 3.564 1.00 0.00 C ATOM 19 C LEU A 268 11.242 2.103 3.980 1.00 0.00 C ATOM 20 O LEU A 268 10.309 1.400 3.572 1.00 0.00 O ATOM 21 CB LEU A 268 13.402 0.946 4.607 1.00 0.00 C ATOM 22 CG LEU A 268 12.927 -0.523 4.774 1.00 0.00 C ATOM 23 CD1 LEU A 268 11.698 -0.648 5.690 1.00 0.00 C ATOM 24 CD2 LEU A 268 12.611 -1.137 3.403 1.00 0.00 C ATOM 0 H LEU A 268 13.978 3.369 4.159 1.00 0.00 H new ATOM 0 HA LEU A 268 12.649 1.310 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 268 14.460 0.926 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 268 13.323 1.434 5.579 1.00 0.00 H new ATOM 0 HG LEU A 268 13.745 -1.066 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 268 11.410 -1.696 5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 268 11.941 -0.261 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 268 10.871 -0.076 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 268 12.279 -2.167 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 268 11.823 -0.560 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 268 13.506 -1.120 2.782 1.00 0.00 H new ATOM 36 N VAL A 269 11.041 3.126 4.789 1.00 0.00 N ATOM 37 CA VAL A 269 9.712 3.478 5.282 1.00 0.00 C ATOM 38 C VAL A 269 8.964 4.317 4.272 1.00 0.00 C ATOM 39 O VAL A 269 7.764 4.136 4.034 1.00 0.00 O ATOM 40 CB VAL A 269 9.837 4.238 6.662 1.00 0.00 C ATOM 41 CG1 VAL A 269 9.880 5.791 6.594 1.00 0.00 C ATOM 42 CG2 VAL A 269 8.708 3.905 7.667 1.00 0.00 C ATOM 0 H VAL A 269 11.786 3.737 5.125 1.00 0.00 H new ATOM 0 HA VAL A 269 9.142 2.561 5.435 1.00 0.00 H new ATOM 0 HB VAL A 269 10.805 3.863 6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.967 6.197 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 269 10.739 6.106 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 269 8.965 6.160 6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 269 8.864 4.465 8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 269 7.745 4.177 7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 269 8.719 2.837 7.886 1.00 0.00 H new ATOM 52 N GLU A 270 9.665 5.248 3.651 1.00 0.00 N ATOM 53 CA GLU A 270 9.044 6.205 2.739 1.00 0.00 C ATOM 54 C GLU A 270 8.564 5.521 1.479 1.00 0.00 C ATOM 55 O GLU A 270 7.572 5.927 0.860 1.00 0.00 O ATOM 56 CB GLU A 270 10.077 7.320 2.414 1.00 0.00 C ATOM 57 CG GLU A 270 11.137 7.662 3.513 1.00 0.00 C ATOM 58 CD GLU A 270 11.335 9.130 3.901 1.00 0.00 C ATOM 59 OE1 GLU A 270 10.432 9.830 4.340 1.00 0.00 O ATOM 60 OE2 GLU A 270 12.607 9.580 3.713 1.00 0.00 O ATOM 0 H GLU A 270 10.672 5.366 3.760 1.00 0.00 H new ATOM 0 HA GLU A 270 8.168 6.648 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 270 10.611 7.031 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 270 9.527 8.232 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 270 10.868 7.113 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 270 12.099 7.274 3.179 1.00 0.00 H new ATOM 67 N ASP A 271 9.261 4.477 1.073 1.00 0.00 N ATOM 68 CA ASP A 271 8.900 3.725 -0.126 1.00 0.00 C ATOM 69 C ASP A 271 7.657 2.899 0.107 1.00 0.00 C ATOM 70 O ASP A 271 6.795 2.759 -0.769 1.00 0.00 O ATOM 71 CB ASP A 271 10.094 2.852 -0.594 1.00 0.00 C ATOM 72 CG ASP A 271 9.771 1.697 -1.553 1.00 0.00 C ATOM 73 OD1 ASP A 271 9.298 1.867 -2.667 1.00 0.00 O ATOM 74 OD2 ASP A 271 10.080 0.472 -1.030 1.00 0.00 O ATOM 0 H ASP A 271 10.087 4.124 1.556 1.00 0.00 H new ATOM 0 HA ASP A 271 8.670 4.430 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 271 10.822 3.503 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 271 10.577 2.435 0.290 1.00 0.00 H new ATOM 79 N MET A 272 7.544 2.331 1.293 1.00 0.00 N ATOM 80 CA MET A 272 6.438 1.435 1.620 1.00 0.00 C ATOM 81 C MET A 272 5.337 2.159 2.360 1.00 0.00 C ATOM 82 O MET A 272 4.559 1.558 3.113 1.00 0.00 O ATOM 83 CB MET A 272 6.964 0.236 2.458 1.00 0.00 C ATOM 84 CG MET A 272 7.876 -0.762 1.712 1.00 0.00 C ATOM 85 SD MET A 272 6.875 -2.052 0.953 1.00 0.00 S ATOM 86 CE MET A 272 8.130 -3.335 0.845 1.00 0.00 C ATOM 0 H MET A 272 8.207 2.472 2.055 1.00 0.00 H new ATOM 0 HA MET A 272 6.013 1.063 0.688 1.00 0.00 H new ATOM 0 HB2 MET A 272 7.513 0.629 3.314 1.00 0.00 H new ATOM 0 HB3 MET A 272 6.107 -0.310 2.852 1.00 0.00 H new ATOM 0 HG2 MET A 272 8.454 -0.241 0.949 1.00 0.00 H new ATOM 0 HG3 MET A 272 8.591 -1.204 2.406 1.00 0.00 H new ATOM 0 HE1 MET A 272 7.699 -4.229 0.394 1.00 0.00 H new ATOM 0 HE2 MET A 272 8.959 -2.983 0.231 1.00 0.00 H new ATOM 0 HE3 MET A 272 8.495 -3.572 1.844 1.00 0.00 H new ATOM 96 N GLN A 273 5.228 3.456 2.142 1.00 0.00 N ATOM 97 CA GLN A 273 4.212 4.273 2.804 1.00 0.00 C ATOM 98 C GLN A 273 3.525 5.190 1.820 1.00 0.00 C ATOM 99 O GLN A 273 3.126 6.314 2.146 1.00 0.00 O ATOM 100 CB GLN A 273 4.887 5.083 3.932 1.00 0.00 C ATOM 101 CG GLN A 273 3.952 5.560 5.093 1.00 0.00 C ATOM 102 CD GLN A 273 3.883 7.054 5.431 1.00 0.00 C ATOM 103 OE1 GLN A 273 2.902 7.533 5.977 1.00 0.00 O ATOM 104 NE2 GLN A 273 4.876 7.844 5.109 1.00 0.00 N ATOM 0 H GLN A 273 5.834 3.976 1.507 1.00 0.00 H new ATOM 0 HA GLN A 273 3.445 3.624 3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 273 5.684 4.475 4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 273 5.359 5.960 3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 273 2.940 5.230 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 273 4.256 5.033 5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 273 5.704 7.462 4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 273 4.822 8.841 5.315 1.00 0.00 H new ATOM 113 N ARG A 274 3.368 4.720 0.596 1.00 0.00 N ATOM 114 CA ARG A 274 2.738 5.507 -0.460 1.00 0.00 C ATOM 115 C ARG A 274 2.259 4.617 -1.583 1.00 0.00 C ATOM 116 O ARG A 274 1.058 4.491 -1.848 1.00 0.00 O ATOM 117 CB ARG A 274 3.751 6.569 -0.968 1.00 0.00 C ATOM 118 CG ARG A 274 3.526 7.054 -2.424 1.00 0.00 C ATOM 119 CD ARG A 274 4.754 7.772 -3.000 1.00 0.00 C ATOM 120 NE ARG A 274 5.605 8.221 -1.869 1.00 0.00 N ATOM 121 CZ ARG A 274 5.688 9.463 -1.413 1.00 0.00 C ATOM 122 NH1 ARG A 274 5.027 10.470 -1.903 1.00 0.00 N ATOM 123 NH2 ARG A 274 6.476 9.680 -0.420 1.00 0.00 N ATOM 0 H ARG A 274 3.669 3.791 0.303 1.00 0.00 H new ATOM 0 HA ARG A 274 1.860 6.016 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 274 3.711 7.433 -0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 274 4.756 6.155 -0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 274 3.280 6.200 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 274 2.669 7.727 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 274 5.313 7.103 -3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 274 4.446 8.625 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 274 6.174 7.514 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 274 4.394 10.330 -2.691 1.00 0.00 H new ATOM 0 HH12 ARG A 274 5.141 11.400 -1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 274 7.008 8.911 -0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 274 6.569 10.622 -0.039 1.00 0.00 H new ATOM 137 N GLN A 275 3.195 3.966 -2.249 1.00 0.00 N ATOM 138 CA GLN A 275 2.871 3.002 -3.297 1.00 0.00 C ATOM 139 C GLN A 275 2.231 1.764 -2.715 1.00 0.00 C ATOM 140 O GLN A 275 1.323 1.163 -3.300 1.00 0.00 O ATOM 141 CB GLN A 275 4.165 2.648 -4.062 1.00 0.00 C ATOM 142 CG GLN A 275 4.008 2.359 -5.591 1.00 0.00 C ATOM 143 CD GLN A 275 5.209 2.574 -6.520 1.00 0.00 C ATOM 144 OE1 GLN A 275 5.056 2.928 -7.678 1.00 0.00 O ATOM 145 NE2 GLN A 275 6.424 2.376 -6.075 1.00 0.00 N ATOM 0 H GLN A 275 4.195 4.085 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 275 2.150 3.443 -3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 275 4.871 3.470 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 275 4.612 1.772 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 275 3.692 1.321 -5.698 1.00 0.00 H new ATOM 0 HG3 GLN A 275 3.192 2.980 -5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 275 6.572 2.080 -5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 275 7.223 2.518 -6.693 1.00 0.00 H new ATOM 154 N TRP A 276 2.683 1.372 -1.538 1.00 0.00 N ATOM 155 CA TRP A 276 2.183 0.170 -0.878 1.00 0.00 C ATOM 156 C TRP A 276 0.825 0.412 -0.260 1.00 0.00 C ATOM 157 O TRP A 276 -0.007 -0.496 -0.146 1.00 0.00 O ATOM 158 CB TRP A 276 3.192 -0.263 0.221 1.00 0.00 C ATOM 159 CG TRP A 276 2.721 -1.421 1.109 1.00 0.00 C ATOM 160 CD1 TRP A 276 2.188 -1.305 2.409 1.00 0.00 C ATOM 161 CD2 TRP A 276 2.794 -2.774 0.849 1.00 0.00 C ATOM 162 NE1 TRP A 276 1.916 -2.568 2.972 1.00 0.00 N ATOM 163 CE2 TRP A 276 2.301 -3.462 1.985 1.00 0.00 C ATOM 164 CE3 TRP A 276 3.278 -3.490 -0.277 1.00 0.00 C ATOM 165 CZ2 TRP A 276 2.241 -4.873 1.982 1.00 0.00 C ATOM 166 CZ3 TRP A 276 3.184 -4.881 -0.267 1.00 0.00 C ATOM 167 CH2 TRP A 276 2.671 -5.564 0.846 1.00 0.00 C ATOM 0 H TRP A 276 3.401 1.870 -1.012 1.00 0.00 H new ATOM 0 HA TRP A 276 2.078 -0.620 -1.622 1.00 0.00 H new ATOM 0 HB2 TRP A 276 4.128 -0.549 -0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 276 3.408 0.597 0.855 1.00 0.00 H new ATOM 0 HD1 TRP A 276 2.010 -0.365 2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 276 1.527 -2.776 3.892 1.00 0.00 H new ATOM 0 HE3 TRP A 276 3.708 -2.970 -1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 1.869 -5.409 2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 3.511 -5.442 -1.130 1.00 0.00 H new ATOM 0 HH2 TRP A 276 2.607 -6.642 0.824 1.00 0.00 H new ATOM 178 N ALA A 277 0.584 1.637 0.171 1.00 0.00 N ATOM 179 CA ALA A 277 -0.693 2.007 0.777 1.00 0.00 C ATOM 180 C ALA A 277 -1.804 2.022 -0.247 1.00 0.00 C ATOM 181 O ALA A 277 -2.986 1.851 0.078 1.00 0.00 O ATOM 182 CB ALA A 277 -0.503 3.369 1.467 1.00 0.00 C ATOM 0 H ALA A 277 1.258 2.401 0.114 1.00 0.00 H new ATOM 0 HA ALA A 277 -0.995 1.268 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 277 -1.440 3.676 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 277 0.270 3.285 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 277 -0.204 4.112 0.728 1.00 0.00 H new ATOM 188 N GLY A 278 -1.454 2.257 -1.498 1.00 0.00 N ATOM 189 CA GLY A 278 -2.413 2.183 -2.597 1.00 0.00 C ATOM 190 C GLY A 278 -2.910 0.769 -2.788 1.00 0.00 C ATOM 191 O GLY A 278 -4.114 0.511 -2.897 1.00 0.00 O ATOM 0 H GLY A 278 -0.507 2.503 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 278 -3.256 2.844 -2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 278 -1.946 2.535 -3.517 1.00 0.00 H new ATOM 195 N LEU A 279 -1.987 -0.174 -2.840 1.00 0.00 N ATOM 196 CA LEU A 279 -2.314 -1.560 -3.164 1.00 0.00 C ATOM 197 C LEU A 279 -3.237 -2.153 -2.125 1.00 0.00 C ATOM 198 O LEU A 279 -4.182 -2.887 -2.439 1.00 0.00 O ATOM 199 CB LEU A 279 -1.018 -2.409 -3.307 1.00 0.00 C ATOM 200 CG LEU A 279 -0.479 -2.685 -4.736 1.00 0.00 C ATOM 201 CD1 LEU A 279 1.024 -2.390 -4.872 1.00 0.00 C ATOM 202 CD2 LEU A 279 -0.757 -4.141 -5.136 1.00 0.00 C ATOM 0 H LEU A 279 -0.997 -0.008 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.836 -1.573 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -0.229 -1.911 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -1.195 -3.371 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 279 -1.006 -2.006 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.345 -2.601 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 279 1.211 -1.341 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 279 1.582 -3.019 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -0.374 -4.322 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.263 -4.812 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -1.831 -4.324 -5.119 1.00 0.00 H new ATOM 214 N VAL A 280 -2.961 -1.869 -0.867 1.00 0.00 N ATOM 215 CA VAL A 280 -3.693 -2.468 0.247 1.00 0.00 C ATOM 216 C VAL A 280 -5.055 -1.834 0.413 1.00 0.00 C ATOM 217 O VAL A 280 -6.029 -2.484 0.807 1.00 0.00 O ATOM 218 CB VAL A 280 -2.851 -2.333 1.579 1.00 0.00 C ATOM 219 CG1 VAL A 280 -3.665 -2.161 2.892 1.00 0.00 C ATOM 220 CG2 VAL A 280 -1.896 -3.521 1.844 1.00 0.00 C ATOM 0 H VAL A 280 -2.227 -1.220 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 280 -3.846 -3.525 0.028 1.00 0.00 H new ATOM 0 HB VAL A 280 -2.307 -1.413 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 280 -2.981 -2.079 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 280 -4.272 -1.258 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 280 -4.314 -3.025 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 280 -1.355 -3.352 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 280 -2.474 -4.442 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 280 -1.185 -3.607 1.022 1.00 0.00 H new ATOM 230 N GLU A 281 -5.137 -0.543 0.148 1.00 0.00 N ATOM 231 CA GLU A 281 -6.391 0.195 0.277 1.00 0.00 C ATOM 232 C GLU A 281 -7.426 -0.320 -0.697 1.00 0.00 C ATOM 233 O GLU A 281 -8.624 -0.385 -0.399 1.00 0.00 O ATOM 234 CB GLU A 281 -6.107 1.706 0.046 1.00 0.00 C ATOM 235 CG GLU A 281 -5.883 2.596 1.313 1.00 0.00 C ATOM 236 CD GLU A 281 -5.022 2.041 2.450 1.00 0.00 C ATOM 237 OE1 GLU A 281 -4.916 0.843 2.681 1.00 0.00 O ATOM 238 OE2 GLU A 281 -4.388 3.001 3.177 1.00 0.00 O ATOM 0 H GLU A 281 -4.347 0.024 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 281 -6.796 0.052 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 281 -5.223 1.790 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 281 -6.942 2.124 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 281 -5.435 3.534 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 281 -6.862 2.838 1.726 1.00 0.00 H new ATOM 245 N LYS A 282 -6.979 -0.704 -1.878 1.00 0.00 N ATOM 246 CA LYS A 282 -7.872 -1.202 -2.920 1.00 0.00 C ATOM 247 C LYS A 282 -8.381 -2.584 -2.581 1.00 0.00 C ATOM 248 O LYS A 282 -9.552 -2.917 -2.795 1.00 0.00 O ATOM 249 CB LYS A 282 -7.128 -1.203 -4.285 1.00 0.00 C ATOM 250 CG LYS A 282 -8.074 -1.066 -5.504 1.00 0.00 C ATOM 251 CD LYS A 282 -7.728 0.073 -6.467 1.00 0.00 C ATOM 252 CE LYS A 282 -8.596 1.295 -6.137 1.00 0.00 C ATOM 253 NZ LYS A 282 -8.966 1.984 -7.386 1.00 0.00 N ATOM 0 H LYS A 282 -5.995 -0.682 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 282 -8.737 -0.543 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -6.409 -0.384 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -6.559 -2.128 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -8.067 -2.005 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -9.091 -0.918 -5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -6.672 0.329 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -7.898 -0.241 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -9.493 0.984 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -8.052 1.975 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -9.554 2.812 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -8.105 2.293 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -9.500 1.333 -7.996 1.00 0.00 H new ATOM 267 N VAL A 283 -7.501 -3.421 -2.064 1.00 0.00 N ATOM 268 CA VAL A 283 -7.815 -4.827 -1.826 1.00 0.00 C ATOM 269 C VAL A 283 -8.796 -4.986 -0.687 1.00 0.00 C ATOM 270 O VAL A 283 -9.520 -5.986 -0.592 1.00 0.00 O ATOM 271 CB VAL A 283 -6.486 -5.633 -1.536 1.00 0.00 C ATOM 272 CG1 VAL A 283 -6.144 -5.758 -0.031 1.00 0.00 C ATOM 273 CG2 VAL A 283 -6.423 -7.083 -2.092 1.00 0.00 C ATOM 0 H VAL A 283 -6.554 -3.153 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 283 -8.286 -5.230 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 283 -5.769 -5.009 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 283 -5.220 -6.324 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 283 -6.018 -4.764 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 283 -6.953 -6.275 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 283 -5.465 -7.532 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 283 -7.231 -7.674 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 283 -6.529 -7.062 -3.177 1.00 0.00 H new ATOM 283 N GLN A 284 -8.819 -4.024 0.216 1.00 0.00 N ATOM 284 CA GLN A 284 -9.799 -3.992 1.299 1.00 0.00 C ATOM 285 C GLN A 284 -11.153 -3.537 0.803 1.00 0.00 C ATOM 286 O GLN A 284 -12.196 -4.092 1.169 1.00 0.00 O ATOM 287 CB GLN A 284 -9.276 -3.051 2.407 1.00 0.00 C ATOM 288 CG GLN A 284 -8.790 -3.739 3.725 1.00 0.00 C ATOM 289 CD GLN A 284 -7.708 -3.057 4.571 1.00 0.00 C ATOM 290 OE1 GLN A 284 -7.686 -1.844 4.707 1.00 0.00 O ATOM 291 NE2 GLN A 284 -6.773 -3.774 5.141 1.00 0.00 N ATOM 0 H GLN A 284 -8.164 -3.243 0.225 1.00 0.00 H new ATOM 0 HA GLN A 284 -9.928 -4.998 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 284 -8.450 -2.468 2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 284 -10.068 -2.347 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 284 -9.663 -3.881 4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 284 -8.423 -4.731 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 284 -6.775 -4.789 5.039 1.00 0.00 H new ATOM 0 HE22 GLN A 284 -6.043 -3.318 5.688 1.00 0.00 H new ATOM 300 N ALA A 285 -11.160 -2.497 -0.010 1.00 0.00 N ATOM 301 CA ALA A 285 -12.390 -1.960 -0.585 1.00 0.00 C ATOM 302 C ALA A 285 -13.248 -3.056 -1.176 1.00 0.00 C ATOM 303 O ALA A 285 -14.469 -3.101 -0.980 1.00 0.00 O ATOM 304 CB ALA A 285 -11.994 -0.895 -1.624 1.00 0.00 C ATOM 0 H ALA A 285 -10.317 -1.998 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 285 -13.003 -1.498 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 285 -12.893 -0.473 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 285 -11.427 -0.103 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 285 -11.382 -1.354 -2.400 1.00 0.00 H new ATOM 310 N ALA A 286 -12.626 -3.962 -1.907 1.00 0.00 N ATOM 311 CA ALA A 286 -13.320 -5.124 -2.455 1.00 0.00 C ATOM 312 C ALA A 286 -13.545 -6.173 -1.390 1.00 0.00 C ATOM 313 O ALA A 286 -14.591 -6.829 -1.334 1.00 0.00 O ATOM 314 CB ALA A 286 -12.490 -5.646 -3.640 1.00 0.00 C ATOM 0 H ALA A 286 -11.634 -3.919 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 286 -14.314 -4.851 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 286 -12.982 -6.517 -4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 286 -12.403 -4.865 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 286 -11.496 -5.927 -3.292 1.00 0.00 H new ATOM 320 N VAL A 287 -12.573 -6.326 -0.510 1.00 0.00 N ATOM 321 CA VAL A 287 -12.613 -7.352 0.529 1.00 0.00 C ATOM 322 C VAL A 287 -12.967 -8.702 -0.052 1.00 0.00 C ATOM 323 O VAL A 287 -13.588 -9.550 0.599 1.00 0.00 O ATOM 324 CB VAL A 287 -13.639 -6.933 1.655 1.00 0.00 C ATOM 325 CG1 VAL A 287 -15.104 -7.338 1.365 1.00 0.00 C ATOM 326 CG2 VAL A 287 -13.344 -7.463 3.087 1.00 0.00 C ATOM 0 H VAL A 287 -11.733 -5.747 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 287 -11.621 -7.438 0.973 1.00 0.00 H new ATOM 0 HB VAL A 287 -13.505 -5.852 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 287 -15.741 -7.013 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 287 -15.436 -6.866 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 287 -15.169 -8.421 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 287 -14.115 -7.110 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 287 -13.338 -8.553 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 287 -12.371 -7.098 3.417 1.00 0.00 H new ATOM 336 N GLY A 288 -12.547 -8.937 -1.281 1.00 0.00 N ATOM 337 CA GLY A 288 -12.953 -10.128 -2.023 1.00 0.00 C ATOM 338 C GLY A 288 -11.886 -10.542 -3.008 1.00 0.00 C ATOM 339 O GLY A 288 -11.137 -11.502 -2.793 1.00 0.00 O ATOM 0 H GLY A 288 -11.920 -8.317 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 288 -13.148 -10.945 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 288 -13.885 -9.931 -2.553 1.00 0.00 H new ATOM 343 N THR A 289 -11.805 -9.829 -4.116 1.00 0.00 N ATOM 344 CA THR A 289 -10.790 -10.091 -5.133 1.00 0.00 C ATOM 345 C THR A 289 -10.223 -8.801 -5.676 1.00 0.00 C ATOM 346 O THR A 289 -8.997 -8.684 -5.989 1.00 0.00 O ATOM 347 CB THR A 289 -11.382 -10.966 -6.289 1.00 0.00 C ATOM 348 OG1 THR A 289 -11.309 -12.346 -5.956 1.00 0.00 O ATOM 349 CG2 THR A 289 -10.677 -10.859 -7.658 1.00 0.00 C ATOM 350 OXT THR A 289 -11.044 -7.841 -5.802 1.00 0.00 O ATOM 0 H THR A 289 -12.433 -9.057 -4.340 1.00 0.00 H new ATOM 0 HA THR A 289 -9.976 -10.645 -4.665 1.00 0.00 H new ATOM 0 HB THR A 289 -12.395 -10.574 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 289 -11.225 -12.444 -4.985 1.00 0.00 H new ATOM 0 HG21 THR A 289 -11.176 -11.509 -8.376 1.00 0.00 H new ATOM 0 HG22 THR A 289 -10.721 -9.828 -8.010 1.00 0.00 H new ATOM 0 HG23 THR A 289 -9.635 -11.163 -7.556 1.00 0.00 H new TER 358 THR A 289