USER MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=2 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= -0.234 X(o=-0.23,f=-0.023) USER MOD Single : A 275 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 282 LYS NZ :NH3+ -174:sc= -0.0133 (180deg=-0.0364) USER MOD Single : A 284 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 267 15.891 3.840 6.076 1.00 0.00 N ATOM 2 CA PRO A 267 14.685 4.600 5.527 1.00 0.00 C ATOM 3 C PRO A 267 13.738 3.773 4.686 1.00 0.00 C ATOM 4 O PRO A 267 13.599 3.968 3.473 1.00 0.00 O ATOM 5 CB PRO A 267 15.257 5.713 4.659 1.00 0.00 C ATOM 6 CG PRO A 267 16.490 5.009 4.067 1.00 0.00 C ATOM 7 CD PRO A 267 17.062 4.225 5.252 1.00 0.00 C ATOM 0 HA PRO A 267 14.090 4.946 6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 267 14.557 6.038 3.889 1.00 0.00 H new ATOM 0 HB3 PRO A 267 15.524 6.595 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 267 16.218 4.349 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 267 17.211 5.726 3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 267 17.609 3.345 4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 267 17.761 4.834 5.825 1.00 0.00 H new ATOM 17 N LEU A 268 13.049 2.847 5.327 1.00 0.00 N ATOM 18 CA LEU A 268 12.030 2.035 4.666 1.00 0.00 C ATOM 19 C LEU A 268 10.665 2.275 5.269 1.00 0.00 C ATOM 20 O LEU A 268 9.812 1.378 5.316 1.00 0.00 O ATOM 21 CB LEU A 268 12.404 0.524 4.730 1.00 0.00 C ATOM 22 CG LEU A 268 11.661 -0.459 3.785 1.00 0.00 C ATOM 23 CD1 LEU A 268 11.650 0.087 2.350 1.00 0.00 C ATOM 24 CD2 LEU A 268 12.276 -1.868 3.793 1.00 0.00 C ATOM 0 H LEU A 268 13.175 2.633 6.316 1.00 0.00 H new ATOM 0 HA LEU A 268 11.990 2.335 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 268 13.471 0.437 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 268 12.245 0.185 5.754 1.00 0.00 H new ATOM 0 HG LEU A 268 10.641 -0.543 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 268 11.126 -0.612 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 268 11.142 1.051 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 268 12.675 0.211 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 268 11.717 -2.513 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 268 13.315 -1.813 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 268 12.233 -2.278 4.802 1.00 0.00 H new ATOM 36 N VAL A 269 10.425 3.487 5.732 1.00 0.00 N ATOM 37 CA VAL A 269 9.156 3.838 6.366 1.00 0.00 C ATOM 38 C VAL A 269 8.226 4.504 5.379 1.00 0.00 C ATOM 39 O VAL A 269 7.038 4.177 5.279 1.00 0.00 O ATOM 40 CB VAL A 269 9.416 4.774 7.615 1.00 0.00 C ATOM 41 CG1 VAL A 269 8.318 5.841 7.840 1.00 0.00 C ATOM 42 CG2 VAL A 269 9.584 4.060 8.985 1.00 0.00 C ATOM 0 H VAL A 269 11.095 4.255 5.683 1.00 0.00 H new ATOM 0 HA VAL A 269 8.674 2.923 6.710 1.00 0.00 H new ATOM 0 HB VAL A 269 10.365 5.222 7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 269 8.569 6.442 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 269 8.252 6.485 6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 269 7.359 5.348 8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 269 9.757 4.803 9.764 1.00 0.00 H new ATOM 0 HG22 VAL A 269 8.680 3.497 9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 269 10.434 3.379 8.938 1.00 0.00 H new ATOM 52 N GLU A 270 8.757 5.445 4.621 1.00 0.00 N ATOM 53 CA GLU A 270 7.970 6.193 3.643 1.00 0.00 C ATOM 54 C GLU A 270 7.876 5.452 2.329 1.00 0.00 C ATOM 55 O GLU A 270 6.901 5.592 1.577 1.00 0.00 O ATOM 56 CB GLU A 270 8.623 7.591 3.453 1.00 0.00 C ATOM 57 CG GLU A 270 9.236 7.913 2.050 1.00 0.00 C ATOM 58 CD GLU A 270 10.732 8.226 1.964 1.00 0.00 C ATOM 59 OE1 GLU A 270 11.599 7.413 2.256 1.00 0.00 O ATOM 60 OE2 GLU A 270 11.005 9.489 1.535 1.00 0.00 O ATOM 0 H GLU A 270 9.740 5.716 4.661 1.00 0.00 H new ATOM 0 HA GLU A 270 6.950 6.310 4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 270 7.870 8.348 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 270 9.411 7.699 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 270 9.037 7.063 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 270 8.694 8.765 1.639 1.00 0.00 H new ATOM 67 N ASP A 271 8.895 4.677 2.009 1.00 0.00 N ATOM 68 CA ASP A 271 8.927 3.916 0.762 1.00 0.00 C ATOM 69 C ASP A 271 7.720 3.016 0.644 1.00 0.00 C ATOM 70 O ASP A 271 7.151 2.829 -0.438 1.00 0.00 O ATOM 71 CB ASP A 271 10.253 3.119 0.647 1.00 0.00 C ATOM 72 CG ASP A 271 11.497 3.908 0.214 1.00 0.00 C ATOM 73 OD1 ASP A 271 11.438 4.944 -0.432 1.00 0.00 O ATOM 74 OD2 ASP A 271 12.663 3.334 0.637 1.00 0.00 O ATOM 0 H ASP A 271 9.720 4.554 2.596 1.00 0.00 H new ATOM 0 HA ASP A 271 8.887 4.617 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 271 10.460 2.662 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 271 10.101 2.307 -0.064 1.00 0.00 H new ATOM 79 N MET A 272 7.303 2.447 1.759 1.00 0.00 N ATOM 80 CA MET A 272 6.222 1.464 1.776 1.00 0.00 C ATOM 81 C MET A 272 4.937 2.089 2.270 1.00 0.00 C ATOM 82 O MET A 272 4.095 1.440 2.901 1.00 0.00 O ATOM 83 CB MET A 272 6.621 0.245 2.653 1.00 0.00 C ATOM 84 CG MET A 272 7.641 -0.729 2.026 1.00 0.00 C ATOM 85 SD MET A 272 7.838 -2.172 3.086 1.00 0.00 S ATOM 86 CE MET A 272 7.839 -3.440 1.812 1.00 0.00 C ATOM 0 H MET A 272 7.698 2.648 2.678 1.00 0.00 H new ATOM 0 HA MET A 272 6.052 1.115 0.758 1.00 0.00 H new ATOM 0 HB2 MET A 272 7.031 0.616 3.592 1.00 0.00 H new ATOM 0 HB3 MET A 272 5.718 -0.313 2.898 1.00 0.00 H new ATOM 0 HG2 MET A 272 7.303 -1.037 1.036 1.00 0.00 H new ATOM 0 HG3 MET A 272 8.601 -0.230 1.894 1.00 0.00 H new ATOM 0 HE1 MET A 272 7.953 -4.420 2.275 1.00 0.00 H new ATOM 0 HE2 MET A 272 6.898 -3.405 1.263 1.00 0.00 H new ATOM 0 HE3 MET A 272 8.667 -3.265 1.125 1.00 0.00 H new ATOM 96 N GLN A 273 4.770 3.367 1.989 1.00 0.00 N ATOM 97 CA GLN A 273 3.621 4.130 2.468 1.00 0.00 C ATOM 98 C GLN A 273 3.250 5.218 1.487 1.00 0.00 C ATOM 99 O GLN A 273 2.925 6.351 1.860 1.00 0.00 O ATOM 100 CB GLN A 273 3.959 4.726 3.852 1.00 0.00 C ATOM 101 CG GLN A 273 3.545 3.871 5.095 1.00 0.00 C ATOM 102 CD GLN A 273 2.071 3.493 5.284 1.00 0.00 C ATOM 103 OE1 GLN A 273 1.735 2.648 6.099 1.00 0.00 O ATOM 104 NE2 GLN A 273 1.149 4.077 4.562 1.00 0.00 N ATOM 0 H GLN A 273 5.423 3.910 1.424 1.00 0.00 H new ATOM 0 HA GLN A 273 2.759 3.469 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 273 5.035 4.897 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 273 3.478 5.701 3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 273 4.120 2.945 5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 273 3.862 4.412 5.986 1.00 0.00 H new ATOM 0 HE21 GLN A 273 1.411 4.785 3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 273 0.169 3.824 4.685 1.00 0.00 H new ATOM 113 N ARG A 274 3.312 4.893 0.209 1.00 0.00 N ATOM 114 CA ARG A 274 2.850 5.792 -0.845 1.00 0.00 C ATOM 115 C ARG A 274 2.400 5.017 -2.062 1.00 0.00 C ATOM 116 O ARG A 274 1.227 5.040 -2.452 1.00 0.00 O ATOM 117 CB ARG A 274 3.991 6.785 -1.198 1.00 0.00 C ATOM 118 CG ARG A 274 3.677 7.751 -2.371 1.00 0.00 C ATOM 119 CD ARG A 274 2.667 8.839 -1.983 1.00 0.00 C ATOM 120 NE ARG A 274 3.403 9.939 -1.307 1.00 0.00 N ATOM 121 CZ ARG A 274 4.075 10.905 -1.919 1.00 0.00 C ATOM 122 NH1 ARG A 274 4.182 11.021 -3.209 1.00 0.00 N ATOM 123 NH2 ARG A 274 4.658 11.781 -1.180 1.00 0.00 N ATOM 0 H ARG A 274 3.681 4.005 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 274 1.986 6.353 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 274 4.225 7.376 -0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 274 4.886 6.214 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 274 4.601 8.221 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 274 3.285 7.180 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 274 2.154 9.214 -2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 274 1.904 8.430 -1.321 1.00 0.00 H new ATOM 0 HE ARG A 274 3.390 9.952 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 274 3.731 10.341 -3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 274 4.716 11.792 -3.609 1.00 0.00 H new ATOM 0 HH21 ARG A 274 4.593 11.716 -0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 274 5.186 12.541 -1.610 1.00 0.00 H new ATOM 137 N GLN A 275 3.330 4.321 -2.689 1.00 0.00 N ATOM 138 CA GLN A 275 3.019 3.476 -3.839 1.00 0.00 C ATOM 139 C GLN A 275 2.390 2.174 -3.399 1.00 0.00 C ATOM 140 O GLN A 275 1.442 1.670 -4.012 1.00 0.00 O ATOM 141 CB GLN A 275 4.319 3.221 -4.633 1.00 0.00 C ATOM 142 CG GLN A 275 4.266 3.541 -6.164 1.00 0.00 C ATOM 143 CD GLN A 275 4.807 4.885 -6.666 1.00 0.00 C ATOM 144 OE1 GLN A 275 5.148 5.759 -5.885 1.00 0.00 O ATOM 145 NE2 GLN A 275 4.888 5.118 -7.951 1.00 0.00 N ATOM 0 H GLN A 275 4.315 4.321 -2.423 1.00 0.00 H new ATOM 0 HA GLN A 275 2.296 3.983 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 275 5.116 3.815 -4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 275 4.595 2.174 -4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 275 4.812 2.753 -6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 275 3.225 3.468 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 275 4.607 4.399 -8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 275 5.232 6.018 -8.285 1.00 0.00 H new ATOM 154 N TRP A 276 2.912 1.604 -2.329 1.00 0.00 N ATOM 155 CA TRP A 276 2.516 0.267 -1.895 1.00 0.00 C ATOM 156 C TRP A 276 1.159 0.290 -1.231 1.00 0.00 C ATOM 157 O TRP A 276 0.418 -0.701 -1.232 1.00 0.00 O ATOM 158 CB TRP A 276 3.578 -0.280 -0.902 1.00 0.00 C ATOM 159 CG TRP A 276 3.141 -1.517 -0.110 1.00 0.00 C ATOM 160 CD1 TRP A 276 2.723 -1.540 1.236 1.00 0.00 C ATOM 161 CD2 TRP A 276 3.073 -2.822 -0.550 1.00 0.00 C ATOM 162 NE1 TRP A 276 2.385 -2.844 1.651 1.00 0.00 N ATOM 163 CE2 TRP A 276 2.611 -3.621 0.526 1.00 0.00 C ATOM 164 CE3 TRP A 276 3.390 -3.411 -1.803 1.00 0.00 C ATOM 165 CZ2 TRP A 276 2.428 -5.009 0.344 1.00 0.00 C ATOM 166 CZ3 TRP A 276 3.133 -4.770 -1.978 1.00 0.00 C ATOM 167 CH2 TRP A 276 2.643 -5.556 -0.925 1.00 0.00 C ATOM 0 H TRP A 276 3.616 2.045 -1.738 1.00 0.00 H new ATOM 0 HA TRP A 276 2.453 -0.380 -2.770 1.00 0.00 H new ATOM 0 HB2 TRP A 276 4.483 -0.523 -1.458 1.00 0.00 H new ATOM 0 HB3 TRP A 276 3.839 0.511 -0.199 1.00 0.00 H new ATOM 0 HD1 TRP A 276 2.669 -0.667 1.870 1.00 0.00 H new ATOM 0 HE1 TRP A 276 2.052 -3.146 2.567 1.00 0.00 H new ATOM 0 HE3 TRP A 276 3.819 -2.821 -2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 276 2.127 -5.637 1.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 276 3.314 -5.225 -2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 276 2.428 -6.600 -1.097 1.00 0.00 H new ATOM 178 N ALA A 277 0.819 1.413 -0.626 1.00 0.00 N ATOM 179 CA ALA A 277 -0.509 1.606 -0.047 1.00 0.00 C ATOM 180 C ALA A 277 -1.577 1.610 -1.116 1.00 0.00 C ATOM 181 O ALA A 277 -2.740 1.261 -0.870 1.00 0.00 O ATOM 182 CB ALA A 277 -0.480 2.912 0.766 1.00 0.00 C ATOM 0 H ALA A 277 1.444 2.212 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 277 -0.763 0.778 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 277 -1.459 3.085 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 277 0.269 2.833 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 277 -0.229 3.744 0.109 1.00 0.00 H new ATOM 188 N GLY A 278 -1.217 2.029 -2.315 1.00 0.00 N ATOM 189 CA GLY A 278 -2.142 2.032 -3.445 1.00 0.00 C ATOM 190 C GLY A 278 -2.551 0.624 -3.811 1.00 0.00 C ATOM 191 O GLY A 278 -3.726 0.248 -3.740 1.00 0.00 O ATOM 0 H GLY A 278 -0.284 2.375 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 278 -3.026 2.618 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 278 -1.673 2.513 -4.303 1.00 0.00 H new ATOM 195 N LEU A 279 -1.578 -0.188 -4.181 1.00 0.00 N ATOM 196 CA LEU A 279 -1.841 -1.522 -4.711 1.00 0.00 C ATOM 197 C LEU A 279 -2.609 -2.358 -3.714 1.00 0.00 C ATOM 198 O LEU A 279 -3.556 -3.076 -4.057 1.00 0.00 O ATOM 199 CB LEU A 279 -0.511 -2.221 -5.117 1.00 0.00 C ATOM 200 CG LEU A 279 0.536 -1.409 -5.925 1.00 0.00 C ATOM 201 CD1 LEU A 279 1.804 -1.100 -5.110 1.00 0.00 C ATOM 202 CD2 LEU A 279 0.913 -2.168 -7.207 1.00 0.00 C ATOM 0 H LEU A 279 -0.588 0.052 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.458 -1.419 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -0.028 -2.569 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -0.766 -3.106 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 279 0.074 -0.454 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 279 2.502 -0.531 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 279 1.537 -0.517 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 279 2.273 -2.033 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 279 1.648 -1.591 -7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 279 1.336 -3.138 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 279 0.023 -2.314 -7.819 1.00 0.00 H new ATOM 214 N VAL A 280 -2.223 -2.272 -2.454 1.00 0.00 N ATOM 215 CA VAL A 280 -2.785 -3.124 -1.409 1.00 0.00 C ATOM 216 C VAL A 280 -4.226 -2.763 -1.134 1.00 0.00 C ATOM 217 O VAL A 280 -5.112 -3.623 -1.077 1.00 0.00 O ATOM 218 CB VAL A 280 -1.917 -3.008 -0.093 1.00 0.00 C ATOM 219 CG1 VAL A 280 -2.698 -2.769 1.229 1.00 0.00 C ATOM 220 CG2 VAL A 280 -1.022 -4.241 0.179 1.00 0.00 C ATOM 0 H VAL A 280 -1.516 -1.616 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 280 -2.762 -4.158 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 280 -1.331 -2.121 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 280 -1.996 -2.707 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 280 -3.258 -1.837 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 280 -3.389 -3.595 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 280 -0.458 -4.085 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 280 -1.647 -5.128 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 280 -0.330 -4.379 -0.652 1.00 0.00 H new ATOM 230 N GLU A 281 -4.480 -1.483 -0.935 1.00 0.00 N ATOM 231 CA GLU A 281 -5.791 -1.015 -0.493 1.00 0.00 C ATOM 232 C GLU A 281 -6.864 -1.397 -1.485 1.00 0.00 C ATOM 233 O GLU A 281 -7.985 -1.770 -1.122 1.00 0.00 O ATOM 234 CB GLU A 281 -5.729 0.526 -0.298 1.00 0.00 C ATOM 235 CG GLU A 281 -5.576 1.060 1.165 1.00 0.00 C ATOM 236 CD GLU A 281 -5.855 2.542 1.430 1.00 0.00 C ATOM 237 OE1 GLU A 281 -6.986 2.999 1.529 1.00 0.00 O ATOM 238 OE2 GLU A 281 -4.730 3.300 1.544 1.00 0.00 O ATOM 0 H GLU A 281 -3.794 -0.741 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 281 -6.049 -1.490 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 281 -4.893 0.907 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 281 -6.637 0.956 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 281 -6.241 0.477 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 281 -4.557 0.850 1.491 1.00 0.00 H new ATOM 245 N LYS A 282 -6.540 -1.297 -2.762 1.00 0.00 N ATOM 246 CA LYS A 282 -7.490 -1.605 -3.827 1.00 0.00 C ATOM 247 C LYS A 282 -7.910 -3.056 -3.774 1.00 0.00 C ATOM 248 O LYS A 282 -9.079 -3.403 -3.977 1.00 0.00 O ATOM 249 CB LYS A 282 -6.857 -1.259 -5.204 1.00 0.00 C ATOM 250 CG LYS A 282 -7.903 -1.063 -6.330 1.00 0.00 C ATOM 251 CD LYS A 282 -8.361 0.382 -6.541 1.00 0.00 C ATOM 252 CE LYS A 282 -8.921 0.933 -5.222 1.00 0.00 C ATOM 253 NZ LYS A 282 -10.267 0.381 -4.993 1.00 0.00 N ATOM 0 H LYS A 282 -5.621 -1.003 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 282 -8.386 -1.000 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -6.265 -0.349 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -6.171 -2.056 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -7.483 -1.436 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -8.776 -1.676 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -7.526 0.995 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -9.123 0.424 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -8.262 0.668 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -8.964 2.022 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -10.688 0.830 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -10.865 0.568 -5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -10.200 -0.645 -4.839 1.00 0.00 H new ATOM 267 N VAL A 283 -6.954 -3.932 -3.527 1.00 0.00 N ATOM 268 CA VAL A 283 -7.208 -5.370 -3.512 1.00 0.00 C ATOM 269 C VAL A 283 -8.133 -5.745 -2.378 1.00 0.00 C ATOM 270 O VAL A 283 -8.943 -6.674 -2.481 1.00 0.00 O ATOM 271 CB VAL A 283 -5.840 -6.155 -3.405 1.00 0.00 C ATOM 272 CG1 VAL A 283 -5.487 -6.737 -2.008 1.00 0.00 C ATOM 273 CG2 VAL A 283 -5.723 -7.347 -4.385 1.00 0.00 C ATOM 0 H VAL A 283 -5.986 -3.675 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 283 -7.701 -5.647 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 283 -5.144 -5.353 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 283 -4.528 -7.252 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 283 -5.425 -5.927 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 283 -6.261 -7.441 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 283 -4.757 -7.835 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 283 -6.521 -8.062 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 283 -5.808 -6.985 -5.410 1.00 0.00 H new ATOM 283 N GLN A 284 -8.011 -5.046 -1.265 1.00 0.00 N ATOM 284 CA GLN A 284 -8.802 -5.343 -0.073 1.00 0.00 C ATOM 285 C GLN A 284 -10.271 -5.100 -0.326 1.00 0.00 C ATOM 286 O GLN A 284 -11.134 -5.921 0.005 1.00 0.00 O ATOM 287 CB GLN A 284 -8.289 -4.469 1.092 1.00 0.00 C ATOM 288 CG GLN A 284 -7.424 -5.198 2.174 1.00 0.00 C ATOM 289 CD GLN A 284 -6.384 -4.395 2.964 1.00 0.00 C ATOM 290 OE1 GLN A 284 -6.535 -3.203 3.178 1.00 0.00 O ATOM 291 NE2 GLN A 284 -5.309 -4.988 3.419 1.00 0.00 N ATOM 0 H GLN A 284 -7.368 -4.262 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 284 -8.690 -6.396 0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 284 -7.699 -3.653 0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 284 -9.149 -4.019 1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 284 -8.108 -5.647 2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 284 -6.901 -6.016 1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 284 -5.166 -5.984 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 284 -4.615 -4.454 3.942 1.00 0.00 H new ATOM 300 N ALA A 285 -10.583 -3.948 -0.892 1.00 0.00 N ATOM 301 CA ALA A 285 -11.960 -3.603 -1.233 1.00 0.00 C ATOM 302 C ALA A 285 -12.610 -4.703 -2.039 1.00 0.00 C ATOM 303 O ALA A 285 -13.797 -5.010 -1.885 1.00 0.00 O ATOM 304 CB ALA A 285 -11.936 -2.256 -1.976 1.00 0.00 C ATOM 0 H ALA A 285 -9.900 -3.228 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 285 -12.567 -3.501 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 285 -12.953 -1.971 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 285 -11.503 -1.492 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 285 -11.335 -2.350 -2.880 1.00 0.00 H new ATOM 310 N ALA A 286 -11.833 -5.327 -2.906 1.00 0.00 N ATOM 311 CA ALA A 286 -12.361 -6.303 -3.855 1.00 0.00 C ATOM 312 C ALA A 286 -12.666 -7.614 -3.169 1.00 0.00 C ATOM 313 O ALA A 286 -13.636 -8.309 -3.495 1.00 0.00 O ATOM 314 CB ALA A 286 -11.335 -6.450 -4.992 1.00 0.00 C ATOM 0 H ALA A 286 -10.827 -5.177 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 286 -13.309 -5.965 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 286 -11.700 -7.174 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 286 -11.192 -5.486 -5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 286 -10.385 -6.794 -4.583 1.00 0.00 H new ATOM 320 N VAL A 287 -11.824 -7.989 -2.225 1.00 0.00 N ATOM 321 CA VAL A 287 -11.895 -9.309 -1.604 1.00 0.00 C ATOM 322 C VAL A 287 -12.930 -9.335 -0.504 1.00 0.00 C ATOM 323 O VAL A 287 -13.971 -9.994 -0.604 1.00 0.00 O ATOM 324 CB VAL A 287 -10.473 -9.716 -1.047 1.00 0.00 C ATOM 325 CG1 VAL A 287 -10.525 -10.724 0.127 1.00 0.00 C ATOM 326 CG2 VAL A 287 -9.481 -10.332 -2.072 1.00 0.00 C ATOM 0 H VAL A 287 -11.075 -7.397 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 287 -12.198 -10.034 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 287 -10.108 -8.738 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 287 -9.511 -10.954 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 287 -11.084 -10.289 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 287 -11.017 -11.640 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 287 -8.542 -10.570 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 287 -9.910 -11.242 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 287 -9.295 -9.617 -2.873 1.00 0.00 H new ATOM 336 N GLY A 288 -12.663 -8.608 0.565 1.00 0.00 N ATOM 337 CA GLY A 288 -13.594 -8.510 1.686 1.00 0.00 C ATOM 338 C GLY A 288 -13.364 -7.239 2.470 1.00 0.00 C ATOM 339 O GLY A 288 -12.533 -7.177 3.383 1.00 0.00 O ATOM 0 H GLY A 288 -11.804 -8.071 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 288 -14.619 -8.533 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 288 -13.473 -9.373 2.341 1.00 0.00 H new ATOM 343 N THR A 289 -14.104 -6.201 2.128 1.00 0.00 N ATOM 344 CA THR A 289 -13.897 -4.877 2.708 1.00 0.00 C ATOM 345 C THR A 289 -14.456 -4.807 4.109 1.00 0.00 C ATOM 346 O THR A 289 -15.519 -5.417 4.441 1.00 0.00 O ATOM 347 CB THR A 289 -14.537 -3.773 1.801 1.00 0.00 C ATOM 348 OG1 THR A 289 -13.877 -2.528 1.991 1.00 0.00 O ATOM 349 CG2 THR A 289 -16.029 -3.462 2.051 1.00 0.00 C ATOM 350 OXT THR A 289 -13.798 -4.101 4.935 1.00 0.00 O ATOM 0 H THR A 289 -14.861 -6.245 1.446 1.00 0.00 H new ATOM 0 HA THR A 289 -12.824 -4.696 2.765 1.00 0.00 H new ATOM 0 HB THR A 289 -14.431 -4.197 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 289 -14.288 -1.849 1.416 1.00 0.00 H new ATOM 0 HG21 THR A 289 -16.358 -2.683 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 289 -16.621 -4.363 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 289 -16.162 -3.120 3.077 1.00 0.00 H new TER 358 THR A 289