USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 229 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 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 266 MET CE :methyl 155:sc= -0.0918 (180deg=-0.921) USER MOD Single : A 267 MET CE :methyl -129:sc= -0.0227 (180deg=-0.297) USER MOD Single : A 270 LYS NZ :NH3+ -160:sc= -0.0048 (180deg=-0.239) USER MOD Single : A 271 LYS NZ :NH3+ -153:sc= -0.148 (180deg=-0.848) USER MOD Single : A 272 CYS SG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 277 THR OG1 : rot 180:sc= 0 USER MOD Single : A 278 ASN : amide:sc= -0.57 K(o=-0.57,f=-6.2!) USER MOD Single : A 279 SER OG : rot 28:sc= 1.23 USER MOD Single : A 280 LYS NZ :NH3+ -170:sc= -0.337 (180deg=-0.487) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 282 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 259 -11.736 -20.834 0.167 1.00 0.00 N ATOM 11 CA PRO A 259 -11.932 -21.742 1.341 1.00 0.00 C ATOM 12 C PRO A 259 -10.704 -21.781 2.251 1.00 0.00 C ATOM 13 O PRO A 259 -10.829 -21.718 3.478 1.00 0.00 O ATOM 14 CB PRO A 259 -12.180 -23.103 0.679 1.00 0.00 C ATOM 15 CG PRO A 259 -12.401 -22.888 -0.821 1.00 0.00 C ATOM 16 CD PRO A 259 -11.999 -21.455 -1.176 1.00 0.00 C ATOM 0 HA PRO A 259 -12.744 -21.420 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -11.329 -23.764 0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -13.050 -23.586 1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -11.809 -23.600 -1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -13.446 -23.062 -1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -11.114 -21.430 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -12.792 -20.935 -1.713 1.00 0.00 H new ATOM 24 N ARG A 260 -9.529 -21.880 1.669 1.00 0.00 N ATOM 25 CA ARG A 260 -8.270 -21.921 2.475 1.00 0.00 C ATOM 26 C ARG A 260 -7.142 -21.274 1.652 1.00 0.00 C ATOM 27 O ARG A 260 -6.866 -20.081 1.815 1.00 0.00 O ATOM 28 CB ARG A 260 -7.941 -23.377 2.859 1.00 0.00 C ATOM 29 CG ARG A 260 -6.652 -23.434 3.696 1.00 0.00 C ATOM 30 CD ARG A 260 -6.942 -23.000 5.137 1.00 0.00 C ATOM 31 NE ARG A 260 -5.655 -22.718 5.860 1.00 0.00 N ATOM 32 CZ ARG A 260 -5.625 -22.081 7.023 1.00 0.00 C ATOM 33 NH1 ARG A 260 -4.473 -21.864 7.598 1.00 0.00 N ATOM 34 NH2 ARG A 260 -6.722 -21.661 7.613 1.00 0.00 N ATOM 0 H ARG A 260 -9.391 -21.934 0.660 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.388 -21.362 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -8.768 -23.806 3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -7.824 -23.980 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -6.247 -24.446 3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -5.895 -22.784 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -7.571 -22.110 5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -7.496 -23.782 5.656 1.00 0.00 H new ATOM 0 HE ARG A 260 -4.777 -23.026 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -3.613 -22.183 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -4.433 -21.375 8.493 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -7.630 -21.822 7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -6.666 -21.174 8.507 1.00 0.00 H new ATOM 48 N LEU A 261 -6.496 -22.025 0.776 1.00 0.00 N ATOM 49 CA LEU A 261 -5.397 -21.453 -0.059 1.00 0.00 C ATOM 50 C LEU A 261 -5.324 -22.208 -1.380 1.00 0.00 C ATOM 51 O LEU A 261 -5.759 -23.362 -1.465 1.00 0.00 O ATOM 52 CB LEU A 261 -4.053 -21.548 0.688 1.00 0.00 C ATOM 53 CG LEU A 261 -3.710 -23.022 1.036 1.00 0.00 C ATOM 54 CD1 LEU A 261 -2.933 -23.679 -0.124 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.849 -23.065 2.308 1.00 0.00 C ATOM 0 H LEU A 261 -6.690 -23.012 0.610 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.604 -20.401 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.260 -21.122 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.099 -20.956 1.602 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.639 -23.568 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -2.699 -24.712 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -3.543 -23.659 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.008 -23.130 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.609 -24.100 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -1.927 -22.508 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -3.399 -22.617 3.135 1.00 0.00 H new ATOM 67 N ARG A 262 -4.774 -21.589 -2.399 1.00 0.00 N ATOM 68 CA ARG A 262 -4.645 -22.266 -3.728 1.00 0.00 C ATOM 69 C ARG A 262 -3.152 -22.487 -3.999 1.00 0.00 C ATOM 70 O ARG A 262 -2.318 -22.235 -3.121 1.00 0.00 O ATOM 71 CB ARG A 262 -5.329 -21.398 -4.818 1.00 0.00 C ATOM 72 CG ARG A 262 -5.624 -22.157 -6.154 1.00 0.00 C ATOM 73 CD ARG A 262 -6.202 -23.582 -5.956 1.00 0.00 C ATOM 74 NE ARG A 262 -7.278 -23.604 -4.907 1.00 0.00 N ATOM 75 CZ ARG A 262 -8.141 -24.608 -4.811 1.00 0.00 C ATOM 76 NH1 ARG A 262 -9.055 -24.569 -3.880 1.00 0.00 N ATOM 77 NH2 ARG A 262 -8.101 -25.642 -5.624 1.00 0.00 N ATOM 0 H ARG A 262 -4.407 -20.638 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.144 -23.235 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.266 -21.008 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -4.693 -20.539 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -6.327 -21.570 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -4.702 -22.227 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -6.607 -23.945 -6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -5.401 -24.263 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 262 -7.347 -22.826 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -9.098 -23.776 -3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -9.726 -25.332 -3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -7.392 -25.689 -6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -8.779 -26.397 -5.523 1.00 0.00 H new ATOM 91 N LYS A 263 -2.796 -22.975 -5.166 1.00 0.00 N ATOM 92 CA LYS A 263 -1.365 -23.252 -5.489 1.00 0.00 C ATOM 93 C LYS A 263 -0.511 -22.017 -5.209 1.00 0.00 C ATOM 94 O LYS A 263 -1.036 -20.924 -4.973 1.00 0.00 O ATOM 95 CB LYS A 263 -1.234 -23.688 -6.956 1.00 0.00 C ATOM 96 CG LYS A 263 -1.749 -22.584 -7.896 1.00 0.00 C ATOM 97 CD LYS A 263 -1.585 -23.017 -9.359 1.00 0.00 C ATOM 98 CE LYS A 263 -0.105 -22.969 -9.755 1.00 0.00 C ATOM 99 NZ LYS A 263 0.023 -23.135 -11.230 1.00 0.00 N ATOM 0 H LYS A 263 -3.450 -23.195 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.006 -24.063 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -0.191 -23.910 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -1.799 -24.606 -7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -2.798 -22.377 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -1.200 -21.659 -7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -1.974 -24.026 -9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -2.166 -22.362 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 263 0.334 -22.020 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 263 0.445 -23.757 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 1.028 -23.102 -11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -0.381 -24.051 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -0.488 -22.368 -11.711 1.00 0.00 H new ATOM 113 N GLY A 264 0.787 -22.186 -5.222 1.00 0.00 N ATOM 114 CA GLY A 264 1.720 -21.054 -4.948 1.00 0.00 C ATOM 115 C GLY A 264 2.501 -21.323 -3.659 1.00 0.00 C ATOM 116 O GLY A 264 2.973 -20.381 -3.012 1.00 0.00 O ATOM 0 H GLY A 264 1.246 -23.076 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 264 2.410 -20.930 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 264 1.160 -20.123 -4.857 1.00 0.00 H new ATOM 120 N ARG A 265 2.652 -22.579 -3.276 1.00 0.00 N ATOM 121 CA ARG A 265 3.410 -22.910 -2.028 1.00 0.00 C ATOM 122 C ARG A 265 4.865 -22.482 -2.201 1.00 0.00 C ATOM 123 O ARG A 265 5.247 -21.977 -3.259 1.00 0.00 O ATOM 124 CB ARG A 265 3.330 -24.417 -1.726 1.00 0.00 C ATOM 125 CG ARG A 265 3.845 -25.234 -2.921 1.00 0.00 C ATOM 126 CD ARG A 265 3.875 -26.718 -2.552 1.00 0.00 C ATOM 127 NE ARG A 265 4.291 -27.540 -3.738 1.00 0.00 N ATOM 128 CZ ARG A 265 4.672 -28.804 -3.619 1.00 0.00 C ATOM 129 NH1 ARG A 265 5.016 -29.465 -4.691 1.00 0.00 N ATOM 130 NH2 ARG A 265 4.716 -29.411 -2.453 1.00 0.00 N ATOM 0 H ARG A 265 2.280 -23.385 -3.779 1.00 0.00 H new ATOM 0 HA ARG A 265 2.968 -22.375 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.920 -24.648 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 265 2.300 -24.695 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 265 3.201 -25.077 -3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 265 4.843 -24.898 -3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 265 4.568 -26.881 -1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 265 2.890 -27.035 -2.209 1.00 0.00 H new ATOM 0 HE ARG A 265 4.280 -27.112 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 265 4.989 -29.008 -5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 265 5.312 -30.438 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 265 4.452 -28.908 -1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 265 5.014 -30.385 -2.396 1.00 0.00 H new ATOM 144 N MET A 266 5.674 -22.667 -1.183 1.00 0.00 N ATOM 145 CA MET A 266 7.114 -22.274 -1.263 1.00 0.00 C ATOM 146 C MET A 266 7.806 -23.056 -2.378 1.00 0.00 C ATOM 147 O MET A 266 8.201 -24.212 -2.185 1.00 0.00 O ATOM 148 CB MET A 266 7.808 -22.558 0.072 1.00 0.00 C ATOM 149 CG MET A 266 7.329 -21.552 1.120 1.00 0.00 C ATOM 150 SD MET A 266 8.062 -21.955 2.724 1.00 0.00 S ATOM 151 CE MET A 266 9.763 -21.493 2.316 1.00 0.00 C ATOM 0 H MET A 266 5.393 -23.078 -0.293 1.00 0.00 H new ATOM 0 HA MET A 266 7.177 -21.208 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.587 -23.574 0.400 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.889 -22.489 -0.046 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.609 -20.541 0.824 1.00 0.00 H new ATOM 0 HG3 MET A 266 6.241 -21.574 1.190 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.299 -21.234 3.229 1.00 0.00 H new ATOM 0 HE2 MET A 266 10.261 -22.331 1.829 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.756 -20.635 1.644 1.00 0.00 H new ATOM 161 N MET A 267 7.977 -22.441 -3.528 1.00 0.00 N ATOM 162 CA MET A 267 8.670 -23.119 -4.672 1.00 0.00 C ATOM 163 C MET A 267 10.157 -22.730 -4.599 1.00 0.00 C ATOM 164 O MET A 267 10.656 -22.449 -3.505 1.00 0.00 O ATOM 165 CB MET A 267 8.044 -22.685 -6.016 1.00 0.00 C ATOM 166 CG MET A 267 6.549 -23.014 -6.039 1.00 0.00 C ATOM 167 SD MET A 267 5.906 -22.777 -7.715 1.00 0.00 S ATOM 168 CE MET A 267 6.491 -24.342 -8.411 1.00 0.00 C ATOM 0 H MET A 267 7.663 -21.490 -3.723 1.00 0.00 H new ATOM 0 HA MET A 267 8.561 -24.202 -4.606 1.00 0.00 H new ATOM 0 HB2 MET A 267 8.190 -21.615 -6.164 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.547 -23.192 -6.839 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.387 -24.043 -5.718 1.00 0.00 H new ATOM 0 HG3 MET A 267 6.014 -22.373 -5.338 1.00 0.00 H new ATOM 0 HE1 MET A 267 7.035 -24.148 -9.335 1.00 0.00 H new ATOM 0 HE2 MET A 267 7.152 -24.833 -7.697 1.00 0.00 H new ATOM 0 HE3 MET A 267 5.639 -24.988 -8.620 1.00 0.00 H new ATOM 178 N ASP A 268 10.872 -22.698 -5.712 1.00 0.00 N ATOM 179 CA ASP A 268 12.318 -22.307 -5.679 1.00 0.00 C ATOM 180 C ASP A 268 12.430 -20.881 -5.137 1.00 0.00 C ATOM 181 O ASP A 268 12.326 -19.908 -5.893 1.00 0.00 O ATOM 182 CB ASP A 268 12.928 -22.376 -7.086 1.00 0.00 C ATOM 183 CG ASP A 268 12.062 -21.601 -8.076 1.00 0.00 C ATOM 184 OD1 ASP A 268 10.923 -21.993 -8.269 1.00 0.00 O ATOM 185 OD2 ASP A 268 12.551 -20.628 -8.625 1.00 0.00 O ATOM 0 H ASP A 268 10.510 -22.927 -6.638 1.00 0.00 H new ATOM 0 HA ASP A 268 12.863 -22.997 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 268 13.937 -21.963 -7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 268 13.013 -23.416 -7.403 1.00 0.00 H new ATOM 190 N VAL A 269 12.636 -20.741 -3.844 1.00 0.00 N ATOM 191 CA VAL A 269 12.758 -19.381 -3.226 1.00 0.00 C ATOM 192 C VAL A 269 14.205 -19.159 -2.791 1.00 0.00 C ATOM 193 O VAL A 269 14.773 -18.087 -3.022 1.00 0.00 O ATOM 194 CB VAL A 269 11.804 -19.236 -2.024 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.352 -19.349 -2.503 1.00 0.00 C ATOM 196 CG2 VAL A 269 12.076 -20.331 -0.982 1.00 0.00 C ATOM 0 H VAL A 269 12.725 -21.517 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 269 12.479 -18.627 -3.962 1.00 0.00 H new ATOM 0 HB VAL A 269 11.971 -18.261 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.679 -19.246 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 269 10.145 -18.560 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 269 10.198 -20.321 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 269 11.392 -20.211 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.925 -21.311 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 269 13.104 -20.249 -0.628 1.00 0.00 H new ATOM 206 N LYS A 270 14.809 -20.157 -2.183 1.00 0.00 N ATOM 207 CA LYS A 270 16.237 -20.035 -1.735 1.00 0.00 C ATOM 208 C LYS A 270 17.189 -20.391 -2.888 1.00 0.00 C ATOM 209 O LYS A 270 18.405 -20.202 -2.769 1.00 0.00 O ATOM 210 CB LYS A 270 16.502 -20.975 -0.554 1.00 0.00 C ATOM 211 CG LYS A 270 15.833 -20.422 0.709 1.00 0.00 C ATOM 212 CD LYS A 270 16.233 -21.271 1.924 1.00 0.00 C ATOM 213 CE LYS A 270 15.455 -22.591 1.918 1.00 0.00 C ATOM 214 NZ LYS A 270 14.041 -22.336 2.315 1.00 0.00 N ATOM 0 H LYS A 270 14.371 -21.055 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 270 16.414 -19.005 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 270 16.116 -21.970 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 270 17.575 -21.078 -0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 270 16.130 -19.385 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 270 14.750 -20.428 0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 270 17.304 -21.470 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 270 16.029 -20.723 2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.490 -23.042 0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 270 15.915 -23.300 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 13.606 -23.223 2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 14.017 -21.638 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 13.512 -21.969 1.498 1.00 0.00 H new ATOM 228 N LYS A 271 16.670 -20.901 -3.989 1.00 0.00 N ATOM 229 CA LYS A 271 17.532 -21.278 -5.151 1.00 0.00 C ATOM 230 C LYS A 271 17.808 -20.038 -5.996 1.00 0.00 C ATOM 231 O LYS A 271 17.324 -18.944 -5.690 1.00 0.00 O ATOM 232 CB LYS A 271 16.810 -22.338 -6.007 1.00 0.00 C ATOM 233 CG LYS A 271 17.259 -23.755 -5.612 1.00 0.00 C ATOM 234 CD LYS A 271 18.626 -24.066 -6.240 1.00 0.00 C ATOM 235 CE LYS A 271 18.451 -24.408 -7.724 1.00 0.00 C ATOM 236 NZ LYS A 271 17.665 -25.668 -7.854 1.00 0.00 N ATOM 0 H LYS A 271 15.674 -21.071 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 271 18.474 -21.690 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 271 15.732 -22.244 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 271 17.021 -22.165 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 271 17.321 -23.837 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 271 16.522 -24.485 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 271 19.290 -23.208 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 271 19.095 -24.900 -5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 271 17.941 -23.594 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 271 19.425 -24.524 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 17.916 -26.144 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 17.881 -26.296 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 16.649 -25.445 -7.855 1.00 0.00 H new ATOM 250 N CYS A 272 18.568 -20.200 -7.056 1.00 0.00 N ATOM 251 CA CYS A 272 18.892 -19.054 -7.959 1.00 0.00 C ATOM 252 C CYS A 272 17.611 -18.558 -8.631 1.00 0.00 C ATOM 253 O CYS A 272 17.497 -17.372 -8.958 1.00 0.00 O ATOM 254 CB CYS A 272 19.895 -19.503 -9.031 1.00 0.00 C ATOM 255 SG CYS A 272 21.010 -18.133 -9.431 1.00 0.00 S ATOM 0 H CYS A 272 18.981 -21.090 -7.334 1.00 0.00 H new ATOM 0 HA CYS A 272 19.332 -18.247 -7.373 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.468 -20.358 -8.672 1.00 0.00 H new ATOM 0 HB3 CYS A 272 19.365 -19.827 -9.927 1.00 0.00 H new ATOM 0 HG CYS A 272 21.860 -18.516 -10.337 1.00 0.00 H new ATOM 261 N GLY A 273 16.659 -19.441 -8.854 1.00 0.00 N ATOM 262 CA GLY A 273 15.384 -19.040 -9.521 1.00 0.00 C ATOM 263 C GLY A 273 15.572 -19.162 -11.025 1.00 0.00 C ATOM 264 O GLY A 273 15.702 -18.160 -11.736 1.00 0.00 O ATOM 0 H GLY A 273 16.717 -20.427 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 273 14.565 -19.677 -9.188 1.00 0.00 H new ATOM 0 HA3 GLY A 273 15.121 -18.017 -9.253 1.00 0.00 H new ATOM 268 N ILE A 274 15.601 -20.376 -11.507 1.00 0.00 N ATOM 269 CA ILE A 274 15.798 -20.637 -12.968 1.00 0.00 C ATOM 270 C ILE A 274 14.680 -19.947 -13.746 1.00 0.00 C ATOM 271 O ILE A 274 13.530 -19.911 -13.294 1.00 0.00 O ATOM 272 CB ILE A 274 15.778 -22.155 -13.254 1.00 0.00 C ATOM 273 CG1 ILE A 274 16.757 -22.915 -12.308 1.00 0.00 C ATOM 274 CG2 ILE A 274 16.142 -22.415 -14.726 1.00 0.00 C ATOM 275 CD1 ILE A 274 18.231 -22.523 -12.541 1.00 0.00 C ATOM 0 H ILE A 274 15.494 -21.217 -10.939 1.00 0.00 H new ATOM 0 HA ILE A 274 16.766 -20.244 -13.278 1.00 0.00 H new ATOM 0 HB ILE A 274 14.772 -22.529 -13.065 1.00 0.00 H new ATOM 0 HG12 ILE A 274 16.489 -22.708 -11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 274 16.642 -23.988 -12.459 1.00 0.00 H new ATOM 0 HG21 ILE A 274 16.126 -23.487 -14.921 1.00 0.00 H new ATOM 0 HG22 ILE A 274 15.419 -21.918 -15.373 1.00 0.00 H new ATOM 0 HG23 ILE A 274 17.139 -22.024 -14.929 1.00 0.00 H new ATOM 0 HD11 ILE A 274 18.869 -23.082 -11.856 1.00 0.00 H new ATOM 0 HD12 ILE A 274 18.511 -22.755 -13.569 1.00 0.00 H new ATOM 0 HD13 ILE A 274 18.356 -21.455 -12.363 1.00 0.00 H new ATOM 287 N GLN A 275 14.998 -19.404 -14.899 1.00 0.00 N ATOM 288 CA GLN A 275 13.968 -18.708 -15.730 1.00 0.00 C ATOM 289 C GLN A 275 14.087 -19.180 -17.174 1.00 0.00 C ATOM 290 O GLN A 275 15.068 -19.836 -17.541 1.00 0.00 O ATOM 291 CB GLN A 275 14.167 -17.193 -15.660 1.00 0.00 C ATOM 292 CG GLN A 275 13.763 -16.691 -14.272 1.00 0.00 C ATOM 293 CD GLN A 275 13.921 -15.177 -14.199 1.00 0.00 C ATOM 294 OE1 GLN A 275 13.489 -14.463 -15.104 1.00 0.00 O ATOM 295 NE2 GLN A 275 14.517 -14.641 -13.169 1.00 0.00 N ATOM 0 H GLN A 275 15.935 -19.415 -15.301 1.00 0.00 H new ATOM 0 HA GLN A 275 12.976 -18.946 -15.347 1.00 0.00 H new ATOM 0 HB2 GLN A 275 15.209 -16.942 -15.861 1.00 0.00 H new ATOM 0 HB3 GLN A 275 13.568 -16.701 -16.426 1.00 0.00 H new ATOM 0 HG2 GLN A 275 12.730 -16.968 -14.063 1.00 0.00 H new ATOM 0 HG3 GLN A 275 14.381 -17.167 -13.510 1.00 0.00 H new ATOM 0 HE21 GLN A 275 14.874 -15.235 -12.420 1.00 0.00 H new ATOM 0 HE22 GLN A 275 14.626 -13.628 -13.113 1.00 0.00 H new ATOM 304 N ASP A 276 13.110 -18.862 -17.994 1.00 0.00 N ATOM 305 CA ASP A 276 13.143 -19.284 -19.428 1.00 0.00 C ATOM 306 C ASP A 276 13.816 -18.189 -20.261 1.00 0.00 C ATOM 307 O ASP A 276 13.143 -17.371 -20.904 1.00 0.00 O ATOM 308 CB ASP A 276 11.717 -19.542 -19.930 1.00 0.00 C ATOM 309 CG ASP A 276 11.757 -20.332 -21.234 1.00 0.00 C ATOM 310 OD1 ASP A 276 11.067 -19.941 -22.161 1.00 0.00 O ATOM 311 OD2 ASP A 276 12.477 -21.316 -21.287 1.00 0.00 O ATOM 0 H ASP A 276 12.286 -18.324 -17.726 1.00 0.00 H new ATOM 0 HA ASP A 276 13.714 -20.207 -19.526 1.00 0.00 H new ATOM 0 HB2 ASP A 276 11.152 -20.094 -19.178 1.00 0.00 H new ATOM 0 HB3 ASP A 276 11.200 -18.595 -20.085 1.00 0.00 H new ATOM 316 N THR A 277 15.131 -18.161 -20.258 1.00 0.00 N ATOM 317 CA THR A 277 15.878 -17.130 -21.043 1.00 0.00 C ATOM 318 C THR A 277 15.979 -17.581 -22.496 1.00 0.00 C ATOM 319 O THR A 277 15.467 -16.909 -23.398 1.00 0.00 O ATOM 320 CB THR A 277 17.275 -16.932 -20.460 1.00 0.00 C ATOM 321 OG1 THR A 277 17.186 -16.818 -19.047 1.00 0.00 O ATOM 322 CG2 THR A 277 17.905 -15.663 -21.040 1.00 0.00 C ATOM 0 H THR A 277 15.720 -18.814 -19.741 1.00 0.00 H new ATOM 0 HA THR A 277 15.344 -16.181 -20.992 1.00 0.00 H new ATOM 0 HB THR A 277 17.897 -17.789 -20.717 1.00 0.00 H new ATOM 0 HG1 THR A 277 18.083 -16.693 -18.672 1.00 0.00 H new ATOM 0 HG21 THR A 277 18.902 -15.527 -20.620 1.00 0.00 H new ATOM 0 HG22 THR A 277 17.977 -15.755 -22.124 1.00 0.00 H new ATOM 0 HG23 THR A 277 17.285 -14.802 -20.790 1.00 0.00 H new ATOM 330 N ASN A 278 16.623 -18.702 -22.738 1.00 0.00 N ATOM 331 CA ASN A 278 16.766 -19.222 -24.133 1.00 0.00 C ATOM 332 C ASN A 278 16.280 -20.668 -24.181 1.00 0.00 C ATOM 333 O ASN A 278 15.294 -20.974 -24.860 1.00 0.00 O ATOM 334 CB ASN A 278 18.229 -19.143 -24.578 1.00 0.00 C ATOM 335 CG ASN A 278 18.581 -17.709 -24.960 1.00 0.00 C ATOM 336 OD1 ASN A 278 18.193 -16.768 -24.267 1.00 0.00 O ATOM 337 ND2 ASN A 278 19.296 -17.485 -26.028 1.00 0.00 N ATOM 0 H ASN A 278 17.058 -19.281 -22.020 1.00 0.00 H new ATOM 0 HA ASN A 278 16.166 -18.614 -24.810 1.00 0.00 H new ATOM 0 HB2 ASN A 278 18.881 -19.485 -23.774 1.00 0.00 H new ATOM 0 HB3 ASN A 278 18.396 -19.806 -25.427 1.00 0.00 H new ATOM 0 HD21 ASN A 278 19.535 -16.529 -26.291 1.00 0.00 H new ATOM 0 HD22 ASN A 278 19.616 -18.266 -26.600 1.00 0.00 H new ATOM 344 N SER A 279 16.948 -21.557 -23.474 1.00 0.00 N ATOM 345 CA SER A 279 16.542 -22.997 -23.458 1.00 0.00 C ATOM 346 C SER A 279 17.431 -23.757 -22.478 1.00 0.00 C ATOM 347 O SER A 279 18.661 -23.661 -22.544 1.00 0.00 O ATOM 348 CB SER A 279 16.682 -23.609 -24.856 1.00 0.00 C ATOM 349 OG SER A 279 15.492 -23.368 -25.596 1.00 0.00 O ATOM 0 H SER A 279 17.765 -21.339 -22.903 1.00 0.00 H new ATOM 0 HA SER A 279 15.499 -23.069 -23.148 1.00 0.00 H new ATOM 0 HB2 SER A 279 17.539 -23.175 -25.371 1.00 0.00 H new ATOM 0 HB3 SER A 279 16.866 -24.681 -24.780 1.00 0.00 H new ATOM 0 HG SER A 279 15.064 -22.549 -25.269 1.00 0.00 H new ATOM 355 N LYS A 280 16.833 -24.508 -21.579 1.00 0.00 N ATOM 356 CA LYS A 280 17.624 -25.293 -20.581 1.00 0.00 C ATOM 357 C LYS A 280 16.854 -26.555 -20.208 1.00 0.00 C ATOM 358 O LYS A 280 15.921 -26.505 -19.400 1.00 0.00 O ATOM 359 CB LYS A 280 17.877 -24.454 -19.326 1.00 0.00 C ATOM 360 CG LYS A 280 18.781 -23.268 -19.676 1.00 0.00 C ATOM 361 CD LYS A 280 19.164 -22.509 -18.399 1.00 0.00 C ATOM 362 CE LYS A 280 17.982 -21.660 -17.921 1.00 0.00 C ATOM 363 NZ LYS A 280 18.406 -20.824 -16.762 1.00 0.00 N ATOM 0 H LYS A 280 15.821 -24.609 -21.496 1.00 0.00 H new ATOM 0 HA LYS A 280 18.584 -25.564 -21.020 1.00 0.00 H new ATOM 0 HB2 LYS A 280 16.931 -24.096 -18.919 1.00 0.00 H new ATOM 0 HB3 LYS A 280 18.345 -25.066 -18.555 1.00 0.00 H new ATOM 0 HG2 LYS A 280 19.679 -23.621 -20.183 1.00 0.00 H new ATOM 0 HG3 LYS A 280 18.267 -22.599 -20.367 1.00 0.00 H new ATOM 0 HD2 LYS A 280 19.455 -23.214 -17.620 1.00 0.00 H new ATOM 0 HD3 LYS A 280 20.027 -21.871 -18.590 1.00 0.00 H new ATOM 0 HE2 LYS A 280 17.627 -21.023 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 280 17.151 -22.304 -17.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 17.571 -20.378 -16.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 18.880 -21.423 -16.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 19.063 -20.087 -17.088 1.00 0.00 H new ATOM 377 N LYS A 281 17.226 -27.679 -20.781 1.00 0.00 N ATOM 378 CA LYS A 281 16.528 -28.967 -20.476 1.00 0.00 C ATOM 379 C LYS A 281 17.559 -30.085 -20.372 1.00 0.00 C ATOM 380 O LYS A 281 18.594 -30.048 -21.046 1.00 0.00 O ATOM 381 CB LYS A 281 15.521 -29.292 -21.582 1.00 0.00 C ATOM 382 CG LYS A 281 14.418 -28.232 -21.594 1.00 0.00 C ATOM 383 CD LYS A 281 13.436 -28.527 -22.729 1.00 0.00 C ATOM 384 CE LYS A 281 12.336 -27.462 -22.744 1.00 0.00 C ATOM 385 NZ LYS A 281 11.385 -27.746 -23.854 1.00 0.00 N ATOM 0 H LYS A 281 17.990 -27.756 -21.452 1.00 0.00 H new ATOM 0 HA LYS A 281 15.994 -28.873 -19.531 1.00 0.00 H new ATOM 0 HB2 LYS A 281 16.023 -29.321 -22.549 1.00 0.00 H new ATOM 0 HB3 LYS A 281 15.090 -30.279 -21.417 1.00 0.00 H new ATOM 0 HG2 LYS A 281 13.894 -28.227 -20.638 1.00 0.00 H new ATOM 0 HG3 LYS A 281 14.853 -27.241 -21.724 1.00 0.00 H new ATOM 0 HD2 LYS A 281 13.961 -28.536 -23.684 1.00 0.00 H new ATOM 0 HD3 LYS A 281 12.997 -29.516 -22.596 1.00 0.00 H new ATOM 0 HE2 LYS A 281 11.808 -27.456 -21.791 1.00 0.00 H new ATOM 0 HE3 LYS A 281 12.775 -26.472 -22.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 10.638 -27.023 -23.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 11.895 -27.730 -24.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 10.957 -28.684 -23.713 1.00 0.00 H new ATOM 399 N GLN A 282 17.298 -31.074 -19.543 1.00 0.00 N ATOM 400 CA GLN A 282 18.256 -32.212 -19.379 1.00 0.00 C ATOM 401 C GLN A 282 17.477 -33.525 -19.360 1.00 0.00 C ATOM 402 O GLN A 282 16.368 -33.587 -18.818 1.00 0.00 O ATOM 403 CB GLN A 282 19.039 -32.052 -18.068 1.00 0.00 C ATOM 404 CG GLN A 282 20.362 -32.824 -18.144 1.00 0.00 C ATOM 405 CD GLN A 282 21.377 -32.032 -18.962 1.00 0.00 C ATOM 406 OE1 GLN A 282 21.819 -30.964 -18.539 1.00 0.00 O ATOM 407 NE2 GLN A 282 21.772 -32.491 -20.118 1.00 0.00 N ATOM 0 H GLN A 282 16.456 -31.138 -18.971 1.00 0.00 H new ATOM 0 HA GLN A 282 18.960 -32.217 -20.211 1.00 0.00 H new ATOM 0 HB2 GLN A 282 19.236 -30.997 -17.880 1.00 0.00 H new ATOM 0 HB3 GLN A 282 18.443 -32.419 -17.233 1.00 0.00 H new ATOM 0 HG2 GLN A 282 20.749 -33.000 -17.140 1.00 0.00 H new ATOM 0 HG3 GLN A 282 20.198 -33.801 -18.599 1.00 0.00 H new ATOM 0 HE21 GLN A 282 21.405 -33.376 -20.468 1.00 0.00 H new ATOM 0 HE22 GLN A 282 22.448 -31.965 -20.672 1.00 0.00 H new ATOM 416 N SER A 283 18.033 -34.569 -19.939 1.00 0.00 N ATOM 417 CA SER A 283 17.337 -35.895 -19.967 1.00 0.00 C ATOM 418 C SER A 283 18.329 -36.999 -19.607 1.00 0.00 C ATOM 419 O SER A 283 19.540 -36.763 -19.557 1.00 0.00 O ATOM 420 CB SER A 283 16.757 -36.158 -21.358 1.00 0.00 C ATOM 421 OG SER A 283 15.919 -35.072 -21.730 1.00 0.00 O ATOM 0 H SER A 283 18.945 -34.556 -20.395 1.00 0.00 H new ATOM 0 HA SER A 283 16.523 -35.884 -19.242 1.00 0.00 H new ATOM 0 HB2 SER A 283 17.562 -36.277 -22.084 1.00 0.00 H new ATOM 0 HB3 SER A 283 16.188 -37.088 -21.358 1.00 0.00 H new ATOM 0 HG SER A 283 15.547 -35.236 -22.622 1.00 0.00 H new ATOM 427 N ASP A 284 17.835 -38.192 -19.351 1.00 0.00 N ATOM 428 CA ASP A 284 18.731 -39.336 -18.985 1.00 0.00 C ATOM 429 C ASP A 284 19.433 -39.858 -20.235 1.00 0.00 C ATOM 430 O ASP A 284 20.665 -39.955 -20.267 1.00 0.00 O ATOM 431 CB ASP A 284 17.911 -40.462 -18.350 1.00 0.00 C ATOM 432 CG ASP A 284 17.666 -40.163 -16.875 1.00 0.00 C ATOM 433 OD1 ASP A 284 18.614 -39.805 -16.196 1.00 0.00 O ATOM 434 OD2 ASP A 284 16.532 -40.298 -16.445 1.00 0.00 O ATOM 0 H ASP A 284 16.841 -38.421 -19.381 1.00 0.00 H new ATOM 0 HA ASP A 284 19.475 -38.989 -18.268 1.00 0.00 H new ATOM 0 HB2 ASP A 284 16.959 -40.568 -18.871 1.00 0.00 H new ATOM 0 HB3 ASP A 284 18.438 -41.410 -18.454 1.00 0.00 H new ATOM 439 N THR A 285 18.676 -40.196 -21.256 1.00 0.00 N ATOM 440 CA THR A 285 19.280 -40.722 -22.520 1.00 0.00 C ATOM 441 C THR A 285 20.010 -39.591 -23.237 1.00 0.00 C ATOM 442 O THR A 285 20.012 -38.448 -22.768 1.00 0.00 O ATOM 443 CB THR A 285 18.189 -41.293 -23.430 1.00 0.00 C ATOM 444 OG1 THR A 285 17.204 -40.297 -23.669 1.00 0.00 O ATOM 445 CG2 THR A 285 17.541 -42.505 -22.757 1.00 0.00 C ATOM 0 H THR A 285 17.658 -40.128 -21.265 1.00 0.00 H new ATOM 0 HA THR A 285 19.984 -41.518 -22.277 1.00 0.00 H new ATOM 0 HB THR A 285 18.631 -41.601 -24.377 1.00 0.00 H new ATOM 0 HG1 THR A 285 16.506 -40.661 -24.253 1.00 0.00 H new ATOM 0 HG21 THR A 285 16.765 -42.910 -23.406 1.00 0.00 H new ATOM 0 HG22 THR A 285 18.298 -43.269 -22.576 1.00 0.00 H new ATOM 0 HG23 THR A 285 17.098 -42.201 -21.808 1.00 0.00 H new