USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=9 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 180:sc= 0.00163 USER MOD Single : A 272 ASN : amide:sc= -0.0405 K(o=-0.041,f=-0.9) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 278 LYS NZ :NH3+ -121:sc= -0.073 (180deg=-0.743) USER MOD Single : A 279 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 280 MET CE :methyl 139:sc= -1.62 (180deg=-3.75!) USER MOD Single : A 285 SER OG : rot 69:sc= 0.374 USER MOD Single : A 286 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 156:sc= -0.103 (180deg=-1.14) USER MOD Single : A 296 LYS NZ :NH3+ -117:sc= -0.112 (180deg=-0.728) 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 -15.293 8.472 -2.581 1.00 0.00 N ATOM 2 CA ILE A 264 -14.350 8.220 -1.453 1.00 0.00 C ATOM 3 C ILE A 264 -15.116 7.712 -0.227 1.00 0.00 C ATOM 4 O ILE A 264 -14.548 7.123 0.671 1.00 0.00 O ATOM 5 CB ILE A 264 -13.710 9.578 -1.160 1.00 0.00 C ATOM 6 CG1 ILE A 264 -14.776 10.544 -0.639 1.00 0.00 C ATOM 7 CG2 ILE A 264 -13.098 10.141 -2.444 1.00 0.00 C ATOM 8 CD1 ILE A 264 -14.103 11.672 0.145 1.00 0.00 C ATOM 0 HA ILE A 264 -13.605 7.463 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 264 -12.931 9.456 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -15.347 10.956 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -15.482 10.013 0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -12.642 11.109 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -12.338 9.454 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -13.878 10.262 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -14.862 12.360 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -13.552 11.252 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -13.415 12.209 -0.508 1.00 0.00 H new ATOM 22 N THR A 265 -16.400 7.937 -0.184 1.00 0.00 N ATOM 23 CA THR A 265 -17.203 7.471 0.983 1.00 0.00 C ATOM 24 C THR A 265 -17.017 5.965 1.193 1.00 0.00 C ATOM 25 O THR A 265 -17.060 5.188 0.260 1.00 0.00 O ATOM 26 CB THR A 265 -18.654 7.784 0.615 1.00 0.00 C ATOM 27 OG1 THR A 265 -19.483 7.576 1.750 1.00 0.00 O ATOM 28 CG2 THR A 265 -19.103 6.868 -0.524 1.00 0.00 C ATOM 0 H THR A 265 -16.929 8.424 -0.907 1.00 0.00 H new ATOM 0 HA THR A 265 -16.901 7.958 1.910 1.00 0.00 H new ATOM 0 HB THR A 265 -18.732 8.822 0.293 1.00 0.00 H new ATOM 0 HG1 THR A 265 -20.413 7.778 1.517 1.00 0.00 H new ATOM 0 HG21 THR A 265 -20.137 7.092 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 265 -18.466 7.030 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 265 -19.026 5.828 -0.206 1.00 0.00 H new ATOM 36 N GLY A 266 -16.814 5.549 2.414 1.00 0.00 N ATOM 37 CA GLY A 266 -16.631 4.094 2.688 1.00 0.00 C ATOM 38 C GLY A 266 -15.252 3.645 2.201 1.00 0.00 C ATOM 39 O GLY A 266 -15.119 3.036 1.159 1.00 0.00 O ATOM 0 H GLY A 266 -16.767 6.154 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 266 -16.731 3.900 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 266 -17.409 3.519 2.186 1.00 0.00 H new ATOM 43 N ASP A 267 -14.223 3.941 2.948 1.00 0.00 N ATOM 44 CA ASP A 267 -12.857 3.535 2.535 1.00 0.00 C ATOM 45 C ASP A 267 -12.612 2.061 2.874 1.00 0.00 C ATOM 46 O ASP A 267 -11.648 1.717 3.530 1.00 0.00 O ATOM 47 CB ASP A 267 -11.935 4.436 3.352 1.00 0.00 C ATOM 48 CG ASP A 267 -12.281 4.319 4.838 1.00 0.00 C ATOM 49 OD1 ASP A 267 -11.947 3.303 5.426 1.00 0.00 O ATOM 50 OD2 ASP A 267 -12.874 5.247 5.363 1.00 0.00 O ATOM 0 H ASP A 267 -14.274 4.449 3.831 1.00 0.00 H new ATOM 0 HA ASP A 267 -12.695 3.637 1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 267 -10.895 4.153 3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 267 -12.039 5.471 3.025 1.00 0.00 H new ATOM 55 N VAL A 268 -13.476 1.188 2.432 1.00 0.00 N ATOM 56 CA VAL A 268 -13.299 -0.256 2.723 1.00 0.00 C ATOM 57 C VAL A 268 -12.025 -0.783 2.059 1.00 0.00 C ATOM 58 O VAL A 268 -11.181 -0.026 1.623 1.00 0.00 O ATOM 59 CB VAL A 268 -14.534 -0.911 2.115 1.00 0.00 C ATOM 60 CG1 VAL A 268 -15.789 -0.388 2.815 1.00 0.00 C ATOM 61 CG2 VAL A 268 -14.606 -0.581 0.622 1.00 0.00 C ATOM 0 H VAL A 268 -14.301 1.419 1.878 1.00 0.00 H new ATOM 0 HA VAL A 268 -13.199 -0.462 3.789 1.00 0.00 H new ATOM 0 HB VAL A 268 -14.471 -1.991 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 268 -16.671 -0.857 2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 268 -15.739 -0.626 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 268 -15.853 0.693 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 268 -15.489 -1.050 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 268 -14.667 0.499 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 268 -13.713 -0.957 0.123 1.00 0.00 H new ATOM 71 N SER A 269 -11.885 -2.078 1.983 1.00 0.00 N ATOM 72 CA SER A 269 -10.669 -2.668 1.349 1.00 0.00 C ATOM 73 C SER A 269 -10.286 -1.874 0.098 1.00 0.00 C ATOM 74 O SER A 269 -9.132 -1.569 -0.126 1.00 0.00 O ATOM 75 CB SER A 269 -11.070 -4.094 0.976 1.00 0.00 C ATOM 76 OG SER A 269 -12.419 -4.099 0.525 1.00 0.00 O ATOM 0 H SER A 269 -12.562 -2.756 2.333 1.00 0.00 H new ATOM 0 HA SER A 269 -9.806 -2.648 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 269 -10.412 -4.477 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 269 -10.960 -4.752 1.838 1.00 0.00 H new ATOM 0 HG SER A 269 -12.680 -5.012 0.283 1.00 0.00 H new ATOM 82 N ALA A 270 -11.246 -1.535 -0.718 1.00 0.00 N ATOM 83 CA ALA A 270 -10.937 -0.759 -1.950 1.00 0.00 C ATOM 84 C ALA A 270 -9.934 0.353 -1.629 1.00 0.00 C ATOM 85 O ALA A 270 -8.821 0.358 -2.115 1.00 0.00 O ATOM 86 CB ALA A 270 -12.275 -0.165 -2.389 1.00 0.00 C ATOM 0 H ALA A 270 -12.231 -1.762 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 270 -10.492 -1.376 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 270 -12.132 0.424 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 270 -12.983 -0.970 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 270 -12.666 0.475 -1.598 1.00 0.00 H new ATOM 92 N ALA A 271 -10.323 1.295 -0.814 1.00 0.00 N ATOM 93 CA ALA A 271 -9.401 2.405 -0.459 1.00 0.00 C ATOM 94 C ALA A 271 -8.126 1.854 0.185 1.00 0.00 C ATOM 95 O ALA A 271 -7.043 2.363 -0.024 1.00 0.00 O ATOM 96 CB ALA A 271 -10.179 3.262 0.540 1.00 0.00 C ATOM 0 H ALA A 271 -11.244 1.342 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 271 -9.091 2.977 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 271 -9.564 4.106 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 271 -11.091 3.631 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 271 -10.438 2.660 1.411 1.00 0.00 H new ATOM 102 N ASN A 272 -8.248 0.817 0.970 1.00 0.00 N ATOM 103 CA ASN A 272 -7.042 0.237 1.629 1.00 0.00 C ATOM 104 C ASN A 272 -5.970 -0.084 0.585 1.00 0.00 C ATOM 105 O ASN A 272 -5.005 0.639 0.434 1.00 0.00 O ATOM 106 CB ASN A 272 -7.535 -1.042 2.306 1.00 0.00 C ATOM 107 CG ASN A 272 -7.768 -0.775 3.795 1.00 0.00 C ATOM 108 OD1 ASN A 272 -8.016 0.347 4.190 1.00 0.00 O ATOM 109 ND2 ASN A 272 -7.700 -1.764 4.642 1.00 0.00 N ATOM 0 H ASN A 272 -9.128 0.348 1.183 1.00 0.00 H new ATOM 0 HA ASN A 272 -6.591 0.926 2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -8.459 -1.381 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -6.802 -1.839 2.179 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -7.855 -1.596 5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -7.492 -2.706 4.311 1.00 0.00 H new ATOM 116 N LYS A 273 -6.128 -1.163 -0.134 1.00 0.00 N ATOM 117 CA LYS A 273 -5.115 -1.526 -1.164 1.00 0.00 C ATOM 118 C LYS A 273 -4.675 -0.279 -1.936 1.00 0.00 C ATOM 119 O LYS A 273 -3.501 -0.052 -2.150 1.00 0.00 O ATOM 120 CB LYS A 273 -5.822 -2.517 -2.091 1.00 0.00 C ATOM 121 CG LYS A 273 -7.097 -1.880 -2.648 1.00 0.00 C ATOM 122 CD LYS A 273 -7.987 -2.966 -3.255 1.00 0.00 C ATOM 123 CE LYS A 273 -7.510 -3.285 -4.674 1.00 0.00 C ATOM 124 NZ LYS A 273 -8.753 -3.584 -5.439 1.00 0.00 N ATOM 0 H LYS A 273 -6.914 -1.807 -0.052 1.00 0.00 H new ATOM 0 HA LYS A 273 -4.216 -1.958 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 273 -5.159 -2.802 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 273 -6.067 -3.429 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -7.632 -1.358 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 273 -6.844 -1.137 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 273 -7.954 -3.864 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 273 -9.024 -2.631 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -6.972 -2.443 -5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -6.828 -4.136 -4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -8.508 -3.813 -6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 -9.240 -4.394 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -9.379 -2.754 -5.422 1.00 0.00 H new ATOM 138 N ASP A 274 -5.608 0.533 -2.354 1.00 0.00 N ATOM 139 CA ASP A 274 -5.242 1.763 -3.106 1.00 0.00 C ATOM 140 C ASP A 274 -4.206 2.571 -2.320 1.00 0.00 C ATOM 141 O ASP A 274 -3.058 2.670 -2.706 1.00 0.00 O ATOM 142 CB ASP A 274 -6.546 2.549 -3.241 1.00 0.00 C ATOM 143 CG ASP A 274 -6.600 3.217 -4.616 1.00 0.00 C ATOM 144 OD1 ASP A 274 -6.297 2.547 -5.591 1.00 0.00 O ATOM 145 OD2 ASP A 274 -6.942 4.386 -4.672 1.00 0.00 O ATOM 0 H ASP A 274 -6.608 0.396 -2.206 1.00 0.00 H new ATOM 0 HA ASP A 274 -4.801 1.539 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 274 -7.399 1.883 -3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 274 -6.612 3.303 -2.456 1.00 0.00 H new ATOM 150 N ALA A 275 -4.604 3.149 -1.219 1.00 0.00 N ATOM 151 CA ALA A 275 -3.647 3.951 -0.407 1.00 0.00 C ATOM 152 C ALA A 275 -2.298 3.233 -0.315 1.00 0.00 C ATOM 153 O ALA A 275 -1.302 3.695 -0.835 1.00 0.00 O ATOM 154 CB ALA A 275 -4.293 4.056 0.975 1.00 0.00 C ATOM 0 H ALA A 275 -5.552 3.100 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 275 -3.455 4.931 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 275 -3.647 4.635 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 275 -5.260 4.551 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 275 -4.433 3.057 1.388 1.00 0.00 H new ATOM 160 N ILE A 276 -2.259 2.107 0.345 1.00 0.00 N ATOM 161 CA ILE A 276 -0.977 1.359 0.474 1.00 0.00 C ATOM 162 C ILE A 276 -0.224 1.365 -0.858 1.00 0.00 C ATOM 163 O ILE A 276 0.956 1.648 -0.915 1.00 0.00 O ATOM 164 CB ILE A 276 -1.384 -0.065 0.853 1.00 0.00 C ATOM 165 CG1 ILE A 276 -1.981 -0.066 2.263 1.00 0.00 C ATOM 166 CG2 ILE A 276 -0.153 -0.972 0.821 1.00 0.00 C ATOM 167 CD1 ILE A 276 -2.172 -1.508 2.736 1.00 0.00 C ATOM 0 H ILE A 276 -3.061 1.673 0.801 1.00 0.00 H new ATOM 0 HA ILE A 276 -0.313 1.804 1.216 1.00 0.00 H new ATOM 0 HB ILE A 276 -2.125 -0.433 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 276 -1.323 0.468 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 276 -2.937 0.458 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 276 -0.442 -1.988 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 276 0.274 -0.971 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 276 0.588 -0.605 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 276 -2.597 -1.508 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 276 -2.847 -2.028 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 276 -1.208 -2.017 2.750 1.00 0.00 H new ATOM 179 N ARG A 277 -0.899 1.056 -1.931 1.00 0.00 N ATOM 180 CA ARG A 277 -0.222 1.044 -3.259 1.00 0.00 C ATOM 181 C ARG A 277 0.589 2.328 -3.450 1.00 0.00 C ATOM 182 O ARG A 277 1.803 2.304 -3.505 1.00 0.00 O ATOM 183 CB ARG A 277 -1.357 0.968 -4.281 1.00 0.00 C ATOM 184 CG ARG A 277 -1.006 -0.063 -5.356 1.00 0.00 C ATOM 185 CD ARG A 277 -2.286 -0.734 -5.857 1.00 0.00 C ATOM 186 NE ARG A 277 -3.195 0.390 -6.214 1.00 0.00 N ATOM 187 CZ ARG A 277 -2.996 1.072 -7.310 1.00 0.00 C ATOM 188 NH1 ARG A 277 -2.001 0.769 -8.100 1.00 0.00 N ATOM 189 NH2 ARG A 277 -3.795 2.057 -7.617 1.00 0.00 N ATOM 0 H ARG A 277 -1.889 0.811 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 277 0.474 0.211 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 277 -2.288 0.691 -3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 277 -1.516 1.945 -4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 277 -0.489 0.421 -6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 277 -0.326 -0.811 -4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 277 -2.087 -1.370 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 277 -2.726 -1.369 -5.088 1.00 0.00 H new ATOM 0 HE ARG A 277 -3.975 0.628 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 277 -1.377 -0.002 -7.862 1.00 0.00 H new ATOM 0 HH12 ARG A 277 -1.848 1.303 -8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 277 -4.573 2.293 -7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 277 -3.641 2.591 -8.472 1.00 0.00 H new ATOM 203 N LYS A 278 -0.070 3.450 -3.553 1.00 0.00 N ATOM 204 CA LYS A 278 0.665 4.730 -3.742 1.00 0.00 C ATOM 205 C LYS A 278 1.796 4.847 -2.717 1.00 0.00 C ATOM 206 O LYS A 278 2.949 5.010 -3.067 1.00 0.00 O ATOM 207 CB LYS A 278 -0.376 5.827 -3.518 1.00 0.00 C ATOM 208 CG LYS A 278 0.214 7.180 -3.922 1.00 0.00 C ATOM 209 CD LYS A 278 -0.473 8.295 -3.130 1.00 0.00 C ATOM 210 CE LYS A 278 0.264 8.511 -1.806 1.00 0.00 C ATOM 211 NZ LYS A 278 1.528 9.205 -2.178 1.00 0.00 N ATOM 0 H LYS A 278 -1.086 3.534 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 278 1.122 4.799 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 278 -1.271 5.619 -4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 278 -0.678 5.848 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 278 1.287 7.192 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 278 0.079 7.343 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 278 -0.478 9.218 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 278 -1.514 8.032 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 278 -0.329 9.113 -1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 278 0.466 7.563 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 278 2.341 8.634 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 278 1.564 9.331 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 278 1.563 10.135 -1.714 1.00 0.00 H new ATOM 225 N GLN A 279 1.475 4.767 -1.455 1.00 0.00 N ATOM 226 CA GLN A 279 2.528 4.875 -0.406 1.00 0.00 C ATOM 227 C GLN A 279 3.772 4.084 -0.818 1.00 0.00 C ATOM 228 O GLN A 279 4.884 4.565 -0.726 1.00 0.00 O ATOM 229 CB GLN A 279 1.901 4.270 0.850 1.00 0.00 C ATOM 230 CG GLN A 279 2.828 4.500 2.044 1.00 0.00 C ATOM 231 CD GLN A 279 2.476 5.828 2.716 1.00 0.00 C ATOM 232 OE1 GLN A 279 3.118 6.832 2.480 1.00 0.00 O ATOM 233 NE2 GLN A 279 1.473 5.877 3.550 1.00 0.00 N ATOM 0 H GLN A 279 0.527 4.631 -1.104 1.00 0.00 H new ATOM 0 HA GLN A 279 2.846 5.905 -0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 279 0.928 4.724 1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 279 1.732 3.203 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 279 2.729 3.682 2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 279 3.867 4.511 1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 279 0.933 5.035 3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 279 1.229 6.758 4.003 1.00 0.00 H new ATOM 242 N MET A 280 3.594 2.873 -1.271 1.00 0.00 N ATOM 243 CA MET A 280 4.768 2.054 -1.686 1.00 0.00 C ATOM 244 C MET A 280 5.552 2.773 -2.786 1.00 0.00 C ATOM 245 O MET A 280 6.742 2.981 -2.676 1.00 0.00 O ATOM 246 CB MET A 280 4.175 0.747 -2.214 1.00 0.00 C ATOM 247 CG MET A 280 4.204 -0.311 -1.109 1.00 0.00 C ATOM 248 SD MET A 280 2.713 -1.332 -1.212 1.00 0.00 S ATOM 249 CE MET A 280 2.873 -1.790 -2.956 1.00 0.00 C ATOM 0 H MET A 280 2.688 2.416 -1.372 1.00 0.00 H new ATOM 0 HA MET A 280 5.462 1.882 -0.864 1.00 0.00 H new ATOM 0 HB2 MET A 280 3.151 0.910 -2.549 1.00 0.00 H new ATOM 0 HB3 MET A 280 4.742 0.401 -3.078 1.00 0.00 H new ATOM 0 HG2 MET A 280 5.092 -0.934 -1.211 1.00 0.00 H new ATOM 0 HG3 MET A 280 4.262 0.169 -0.132 1.00 0.00 H new ATOM 0 HE1 MET A 280 2.612 -2.841 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 280 2.202 -1.175 -3.557 1.00 0.00 H new ATOM 0 HE3 MET A 280 3.901 -1.630 -3.281 1.00 0.00 H new ATOM 259 N ASP A 281 4.894 3.158 -3.844 1.00 0.00 N ATOM 260 CA ASP A 281 5.609 3.868 -4.944 1.00 0.00 C ATOM 261 C ASP A 281 6.441 5.015 -4.367 1.00 0.00 C ATOM 262 O ASP A 281 7.637 5.097 -4.571 1.00 0.00 O ATOM 263 CB ASP A 281 4.503 4.411 -5.849 1.00 0.00 C ATOM 264 CG ASP A 281 5.013 4.486 -7.289 1.00 0.00 C ATOM 265 OD1 ASP A 281 6.219 4.443 -7.472 1.00 0.00 O ATOM 266 OD2 ASP A 281 4.190 4.585 -8.184 1.00 0.00 O ATOM 0 H ASP A 281 3.896 3.013 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 281 6.293 3.215 -5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 281 3.626 3.766 -5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 281 4.193 5.399 -5.510 1.00 0.00 H new ATOM 271 N ALA A 282 5.812 5.902 -3.647 1.00 0.00 N ATOM 272 CA ALA A 282 6.555 7.044 -3.053 1.00 0.00 C ATOM 273 C ALA A 282 7.749 6.536 -2.240 1.00 0.00 C ATOM 274 O ALA A 282 8.890 6.744 -2.600 1.00 0.00 O ATOM 275 CB ALA A 282 5.544 7.743 -2.144 1.00 0.00 C ATOM 0 H ALA A 282 4.812 5.883 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 282 6.954 7.716 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 282 6.017 8.601 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 282 4.694 8.081 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 282 5.199 7.046 -1.380 1.00 0.00 H new ATOM 281 N ALA A 283 7.495 5.871 -1.145 1.00 0.00 N ATOM 282 CA ALA A 283 8.615 5.352 -0.306 1.00 0.00 C ATOM 283 C ALA A 283 9.552 4.477 -1.142 1.00 0.00 C ATOM 284 O ALA A 283 10.748 4.455 -0.932 1.00 0.00 O ATOM 285 CB ALA A 283 7.939 4.524 0.787 1.00 0.00 C ATOM 0 H ALA A 283 6.560 5.664 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 283 9.224 6.156 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 283 8.698 4.106 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 283 7.267 5.161 1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 283 7.370 3.714 0.330 1.00 0.00 H new ATOM 291 N ALA A 284 9.019 3.753 -2.087 1.00 0.00 N ATOM 292 CA ALA A 284 9.883 2.879 -2.931 1.00 0.00 C ATOM 293 C ALA A 284 11.049 3.686 -3.506 1.00 0.00 C ATOM 294 O ALA A 284 12.170 3.589 -3.048 1.00 0.00 O ATOM 295 CB ALA A 284 8.971 2.382 -4.054 1.00 0.00 C ATOM 0 H ALA A 284 8.024 3.728 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 284 10.315 2.055 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 284 9.536 1.730 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 284 8.136 1.828 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 284 8.590 3.234 -4.617 1.00 0.00 H new ATOM 301 N SER A 285 10.794 4.480 -4.509 1.00 0.00 N ATOM 302 CA SER A 285 11.888 5.290 -5.115 1.00 0.00 C ATOM 303 C SER A 285 12.072 6.600 -4.344 1.00 0.00 C ATOM 304 O SER A 285 12.272 7.649 -4.925 1.00 0.00 O ATOM 305 CB SER A 285 11.430 5.569 -6.545 1.00 0.00 C ATOM 306 OG SER A 285 10.412 6.560 -6.526 1.00 0.00 O ATOM 0 H SER A 285 9.875 4.603 -4.935 1.00 0.00 H new ATOM 0 HA SER A 285 12.846 4.771 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 285 12.272 5.907 -7.149 1.00 0.00 H new ATOM 0 HB3 SER A 285 11.055 4.654 -7.004 1.00 0.00 H new ATOM 0 HG SER A 285 10.800 7.423 -6.269 1.00 0.00 H new ATOM 312 N LYS A 286 12.004 6.553 -3.042 1.00 0.00 N ATOM 313 CA LYS A 286 12.173 7.797 -2.243 1.00 0.00 C ATOM 314 C LYS A 286 13.344 7.649 -1.268 1.00 0.00 C ATOM 315 O LYS A 286 13.650 8.547 -0.509 1.00 0.00 O ATOM 316 CB LYS A 286 10.851 7.964 -1.488 1.00 0.00 C ATOM 317 CG LYS A 286 11.047 8.891 -0.285 1.00 0.00 C ATOM 318 CD LYS A 286 9.685 9.221 0.331 1.00 0.00 C ATOM 319 CE LYS A 286 9.882 10.093 1.573 1.00 0.00 C ATOM 320 NZ LYS A 286 8.571 10.055 2.279 1.00 0.00 N ATOM 0 H LYS A 286 11.839 5.706 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 286 12.396 8.663 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 286 10.092 8.375 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 286 10.489 6.992 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 286 11.687 8.412 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 286 11.549 9.807 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 286 9.062 9.742 -0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 286 9.163 8.302 0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 286 10.682 9.707 2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 286 10.155 11.113 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 286 8.625 10.631 3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 286 7.830 10.435 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 286 8.341 9.073 2.531 1.00 0.00 H new ATOM 334 N GLY A 287 13.998 6.522 -1.281 1.00 0.00 N ATOM 335 CA GLY A 287 15.145 6.318 -0.352 1.00 0.00 C ATOM 336 C GLY A 287 14.724 5.364 0.763 1.00 0.00 C ATOM 337 O GLY A 287 15.434 4.439 1.105 1.00 0.00 O ATOM 0 H GLY A 287 13.789 5.734 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 287 15.999 5.910 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 287 15.461 7.272 0.069 1.00 0.00 H new ATOM 341 N ASP A 288 13.566 5.574 1.326 1.00 0.00 N ATOM 342 CA ASP A 288 13.093 4.671 2.411 1.00 0.00 C ATOM 343 C ASP A 288 12.528 3.390 1.799 1.00 0.00 C ATOM 344 O ASP A 288 11.414 2.992 2.077 1.00 0.00 O ATOM 345 CB ASP A 288 11.995 5.454 3.131 1.00 0.00 C ATOM 346 CG ASP A 288 12.168 5.305 4.643 1.00 0.00 C ATOM 347 OD1 ASP A 288 12.693 4.286 5.061 1.00 0.00 O ATOM 348 OD2 ASP A 288 11.773 6.211 5.358 1.00 0.00 O ATOM 0 H ASP A 288 12.928 6.331 1.081 1.00 0.00 H new ATOM 0 HA ASP A 288 13.892 4.380 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 288 12.041 6.506 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 288 11.014 5.087 2.829 1.00 0.00 H new ATOM 353 N VAL A 289 13.292 2.744 0.962 1.00 0.00 N ATOM 354 CA VAL A 289 12.805 1.489 0.323 1.00 0.00 C ATOM 355 C VAL A 289 12.395 0.480 1.398 1.00 0.00 C ATOM 356 O VAL A 289 11.691 -0.474 1.132 1.00 0.00 O ATOM 357 CB VAL A 289 13.989 0.968 -0.493 1.00 0.00 C ATOM 358 CG1 VAL A 289 13.510 -0.130 -1.442 1.00 0.00 C ATOM 359 CG2 VAL A 289 14.590 2.116 -1.311 1.00 0.00 C ATOM 0 H VAL A 289 14.233 3.031 0.693 1.00 0.00 H new ATOM 0 HA VAL A 289 11.930 1.655 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 289 14.744 0.565 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 289 14.354 -0.502 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 289 13.079 -0.948 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 289 12.755 0.275 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 289 15.434 1.745 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 289 13.833 2.518 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 289 14.931 2.903 -0.638 1.00 0.00 H new ATOM 369 N GLU A 290 12.822 0.686 2.614 1.00 0.00 N ATOM 370 CA GLU A 290 12.447 -0.255 3.700 1.00 0.00 C ATOM 371 C GLU A 290 10.937 -0.495 3.672 1.00 0.00 C ATOM 372 O GLU A 290 10.472 -1.574 3.362 1.00 0.00 O ATOM 373 CB GLU A 290 12.853 0.454 4.991 1.00 0.00 C ATOM 374 CG GLU A 290 12.921 -0.561 6.134 1.00 0.00 C ATOM 375 CD GLU A 290 14.324 -1.168 6.197 1.00 0.00 C ATOM 376 OE1 GLU A 290 15.276 -0.406 6.235 1.00 0.00 O ATOM 377 OE2 GLU A 290 14.421 -2.384 6.206 1.00 0.00 O ATOM 0 H GLU A 290 13.414 1.466 2.899 1.00 0.00 H new ATOM 0 HA GLU A 290 12.931 -1.226 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 290 13.821 0.938 4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 290 12.134 1.238 5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 290 12.681 -0.076 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 290 12.180 -1.346 5.981 1.00 0.00 H new ATOM 384 N THR A 291 10.169 0.511 3.989 1.00 0.00 N ATOM 385 CA THR A 291 8.691 0.355 3.977 1.00 0.00 C ATOM 386 C THR A 291 8.237 -0.237 2.641 1.00 0.00 C ATOM 387 O THR A 291 7.435 -1.149 2.593 1.00 0.00 O ATOM 388 CB THR A 291 8.142 1.773 4.149 1.00 0.00 C ATOM 389 OG1 THR A 291 8.434 2.237 5.460 1.00 0.00 O ATOM 390 CG2 THR A 291 6.628 1.765 3.932 1.00 0.00 C ATOM 0 H THR A 291 10.505 1.436 4.256 1.00 0.00 H new ATOM 0 HA THR A 291 8.338 -0.316 4.760 1.00 0.00 H new ATOM 0 HB THR A 291 8.607 2.435 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 291 8.084 3.146 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 291 6.238 2.775 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 291 6.407 1.410 2.925 1.00 0.00 H new ATOM 0 HG23 THR A 291 6.159 1.104 4.661 1.00 0.00 H new ATOM 398 N TYR A 292 8.748 0.275 1.555 1.00 0.00 N ATOM 399 CA TYR A 292 8.351 -0.256 0.220 1.00 0.00 C ATOM 400 C TYR A 292 8.343 -1.786 0.247 1.00 0.00 C ATOM 401 O TYR A 292 7.305 -2.413 0.170 1.00 0.00 O ATOM 402 CB TYR A 292 9.422 0.264 -0.740 1.00 0.00 C ATOM 403 CG TYR A 292 9.089 -0.138 -2.160 1.00 0.00 C ATOM 404 CD1 TYR A 292 7.770 -0.450 -2.517 1.00 0.00 C ATOM 405 CD2 TYR A 292 10.105 -0.193 -3.122 1.00 0.00 C ATOM 406 CE1 TYR A 292 7.471 -0.816 -3.835 1.00 0.00 C ATOM 407 CE2 TYR A 292 9.804 -0.557 -4.439 1.00 0.00 C ATOM 408 CZ TYR A 292 8.487 -0.870 -4.796 1.00 0.00 C ATOM 409 OH TYR A 292 8.190 -1.229 -6.095 1.00 0.00 O ATOM 0 H TYR A 292 9.424 1.039 1.534 1.00 0.00 H new ATOM 0 HA TYR A 292 7.351 0.060 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 292 9.490 1.350 -0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 292 10.397 -0.135 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 292 6.985 -0.408 -1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 292 11.122 0.046 -2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 292 6.455 -1.057 -4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 292 10.588 -0.597 -5.181 1.00 0.00 H new ATOM 0 HH TYR A 292 9.009 -1.215 -6.633 1.00 0.00 H new ATOM 419 N ARG A 293 9.494 -2.392 0.357 1.00 0.00 N ATOM 420 CA ARG A 293 9.552 -3.879 0.390 1.00 0.00 C ATOM 421 C ARG A 293 8.476 -4.427 1.332 1.00 0.00 C ATOM 422 O ARG A 293 7.535 -5.069 0.910 1.00 0.00 O ATOM 423 CB ARG A 293 10.948 -4.210 0.918 1.00 0.00 C ATOM 424 CG ARG A 293 11.956 -4.152 -0.231 1.00 0.00 C ATOM 425 CD ARG A 293 13.301 -4.711 0.239 1.00 0.00 C ATOM 426 NE ARG A 293 13.280 -6.147 -0.158 1.00 0.00 N ATOM 427 CZ ARG A 293 14.350 -6.883 -0.018 1.00 0.00 C ATOM 428 NH1 ARG A 293 15.445 -6.365 0.472 1.00 0.00 N ATOM 429 NH2 ARG A 293 14.325 -8.140 -0.368 1.00 0.00 N ATOM 0 H ARG A 293 10.396 -1.921 0.425 1.00 0.00 H new ATOM 0 HA ARG A 293 9.373 -4.322 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 293 11.230 -3.504 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 293 10.952 -5.202 1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 293 11.588 -4.727 -1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 293 12.077 -3.123 -0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 293 14.133 -4.184 -0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 293 13.420 -4.601 1.317 1.00 0.00 H new ATOM 0 HE ARG A 293 12.428 -6.556 -0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 293 15.466 -5.383 0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 293 16.279 -6.943 0.580 1.00 0.00 H new ATOM 0 HH21 ARG A 293 13.471 -8.546 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 293 15.160 -8.716 -0.259 1.00 0.00 H new ATOM 443 N LYS A 294 8.610 -4.179 2.607 1.00 0.00 N ATOM 444 CA LYS A 294 7.600 -4.686 3.576 1.00 0.00 C ATOM 445 C LYS A 294 6.184 -4.391 3.075 1.00 0.00 C ATOM 446 O LYS A 294 5.458 -5.280 2.675 1.00 0.00 O ATOM 447 CB LYS A 294 7.880 -3.922 4.872 1.00 0.00 C ATOM 448 CG LYS A 294 8.601 -4.840 5.861 1.00 0.00 C ATOM 449 CD LYS A 294 9.604 -4.024 6.679 1.00 0.00 C ATOM 450 CE LYS A 294 8.896 -2.821 7.307 1.00 0.00 C ATOM 451 NZ LYS A 294 9.569 -1.630 6.720 1.00 0.00 N ATOM 0 H LYS A 294 9.377 -3.647 3.018 1.00 0.00 H new ATOM 0 HA LYS A 294 7.667 -5.765 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 294 8.491 -3.043 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 294 6.946 -3.565 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 294 7.879 -5.317 6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 294 9.116 -5.637 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 294 10.045 -4.646 7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 294 10.420 -3.686 6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 294 7.830 -2.826 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 294 8.988 -2.831 8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 8.926 -0.814 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 10.431 -1.417 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 9.821 -1.826 5.730 1.00 0.00 H new ATOM 465 N LEU A 295 5.784 -3.147 3.097 1.00 0.00 N ATOM 466 CA LEU A 295 4.416 -2.790 2.628 1.00 0.00 C ATOM 467 C LEU A 295 4.061 -3.576 1.362 1.00 0.00 C ATOM 468 O LEU A 295 3.051 -4.249 1.303 1.00 0.00 O ATOM 469 CB LEU A 295 4.479 -1.292 2.328 1.00 0.00 C ATOM 470 CG LEU A 295 3.061 -0.743 2.169 1.00 0.00 C ATOM 471 CD1 LEU A 295 2.235 -1.091 3.409 1.00 0.00 C ATOM 472 CD2 LEU A 295 3.119 0.778 2.008 1.00 0.00 C ATOM 0 H LEU A 295 6.349 -2.362 3.421 1.00 0.00 H new ATOM 0 HA LEU A 295 3.653 -3.028 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 295 4.994 -0.770 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 295 5.052 -1.117 1.418 1.00 0.00 H new ATOM 0 HG LEU A 295 2.598 -1.186 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 295 1.224 -0.699 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 295 2.193 -2.174 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 295 2.698 -0.648 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 295 2.109 1.171 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 295 3.583 1.220 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 295 3.707 1.028 1.125 1.00 0.00 H new ATOM 484 N LYS A 296 4.881 -3.491 0.349 1.00 0.00 N ATOM 485 CA LYS A 296 4.590 -4.231 -0.911 1.00 0.00 C ATOM 486 C LYS A 296 4.074 -5.637 -0.594 1.00 0.00 C ATOM 487 O LYS A 296 2.947 -5.977 -0.896 1.00 0.00 O ATOM 488 CB LYS A 296 5.927 -4.302 -1.648 1.00 0.00 C ATOM 489 CG LYS A 296 5.841 -5.347 -2.762 1.00 0.00 C ATOM 490 CD LYS A 296 6.548 -4.821 -4.012 1.00 0.00 C ATOM 491 CE LYS A 296 7.976 -5.371 -4.062 1.00 0.00 C ATOM 492 NZ LYS A 296 7.820 -6.816 -4.388 1.00 0.00 N ATOM 0 H LYS A 296 5.740 -2.941 0.340 1.00 0.00 H new ATOM 0 HA LYS A 296 3.822 -3.740 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 296 6.175 -3.327 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 296 6.725 -4.562 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 296 6.302 -6.280 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 296 4.798 -5.568 -2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 296 6.000 -5.121 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 296 6.567 -3.731 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 296 8.571 -4.858 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 296 8.486 -5.234 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 296 8.183 -7.391 -3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 296 6.814 -7.031 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 296 8.354 -7.036 -5.253 1.00 0.00 H new ATOM 506 N ALA A 297 4.888 -6.456 0.013 1.00 0.00 N ATOM 507 CA ALA A 297 4.442 -7.836 0.348 1.00 0.00 C ATOM 508 C ALA A 297 3.032 -7.804 0.945 1.00 0.00 C ATOM 509 O ALA A 297 2.110 -8.392 0.416 1.00 0.00 O ATOM 510 CB ALA A 297 5.450 -8.340 1.381 1.00 0.00 C ATOM 0 H ALA A 297 5.843 -6.228 0.291 1.00 0.00 H new ATOM 0 HA ALA A 297 4.402 -8.482 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 297 5.188 -9.355 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 297 6.450 -8.336 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 297 5.432 -7.689 2.255 1.00 0.00 H new ATOM 516 N LYS A 298 2.861 -7.123 2.045 1.00 0.00 N ATOM 517 CA LYS A 298 1.515 -7.053 2.679 1.00 0.00 C ATOM 518 C LYS A 298 0.433 -6.854 1.614 1.00 0.00 C ATOM 519 O LYS A 298 -0.442 -7.680 1.445 1.00 0.00 O ATOM 520 CB LYS A 298 1.578 -5.843 3.611 1.00 0.00 C ATOM 521 CG LYS A 298 1.384 -6.303 5.057 1.00 0.00 C ATOM 522 CD LYS A 298 2.745 -6.620 5.679 1.00 0.00 C ATOM 523 CE LYS A 298 2.756 -6.169 7.141 1.00 0.00 C ATOM 524 NZ LYS A 298 4.000 -6.754 7.713 1.00 0.00 N ATOM 0 H LYS A 298 3.597 -6.612 2.532 1.00 0.00 H new ATOM 0 HA LYS A 298 1.265 -7.969 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 298 2.538 -5.338 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 298 0.807 -5.122 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 298 0.881 -5.526 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 298 0.745 -7.185 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 298 2.945 -7.690 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 298 3.536 -6.114 5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 298 2.759 -5.082 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 298 1.872 -6.525 7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 4.079 -6.489 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 3.966 -7.790 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 4.825 -6.392 7.193 1.00 0.00 H new ATOM 538 N LEU A 299 0.484 -5.763 0.899 1.00 0.00 N ATOM 539 CA LEU A 299 -0.541 -5.507 -0.152 1.00 0.00 C ATOM 540 C LEU A 299 -0.849 -6.793 -0.924 1.00 0.00 C ATOM 541 O LEU A 299 -1.987 -7.088 -1.230 1.00 0.00 O ATOM 542 CB LEU A 299 0.091 -4.467 -1.078 1.00 0.00 C ATOM 543 CG LEU A 299 -0.797 -4.274 -2.309 1.00 0.00 C ATOM 544 CD1 LEU A 299 -1.362 -2.852 -2.313 1.00 0.00 C ATOM 545 CD2 LEU A 299 0.034 -4.496 -3.575 1.00 0.00 C ATOM 0 H LEU A 299 1.193 -5.037 0.998 1.00 0.00 H new ATOM 0 HA LEU A 299 -1.483 -5.160 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 299 0.211 -3.520 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 299 1.086 -4.792 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 299 -1.618 -4.991 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 299 -1.995 -2.714 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 299 -1.953 -2.693 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 299 -0.542 -2.135 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 299 -0.597 -4.359 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 299 0.854 -3.779 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 299 0.437 -5.509 -3.573 1.00 0.00 H new ATOM 557 N LYS A 300 0.158 -7.560 -1.241 1.00 0.00 N ATOM 558 CA LYS A 300 -0.075 -8.823 -1.992 1.00 0.00 C ATOM 559 C LYS A 300 -0.143 -10.010 -1.027 1.00 0.00 C ATOM 560 O LYS A 300 0.492 -11.026 -1.232 1.00 0.00 O ATOM 561 CB LYS A 300 1.130 -8.956 -2.924 1.00 0.00 C ATOM 562 CG LYS A 300 0.852 -10.037 -3.970 1.00 0.00 C ATOM 563 CD LYS A 300 2.000 -10.077 -4.980 1.00 0.00 C ATOM 564 CE LYS A 300 1.435 -9.984 -6.400 1.00 0.00 C ATOM 565 NZ LYS A 300 1.075 -11.383 -6.762 1.00 0.00 N ATOM 0 H LYS A 300 1.133 -7.365 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 300 -1.016 -8.809 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 300 1.330 -8.004 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 300 2.020 -9.212 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 300 0.746 -11.008 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 300 -0.089 -9.831 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 300 2.689 -9.252 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 300 2.569 -10.999 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 300 0.564 -9.330 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 300 2.171 -9.574 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 300 0.680 -11.402 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 300 1.925 -11.981 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 300 0.368 -11.744 -6.090 1.00 0.00 H new ATOM 579 N GLY A 301 -0.907 -9.891 0.024 1.00 0.00 N ATOM 580 CA GLY A 301 -1.012 -11.013 1.000 1.00 0.00 C ATOM 581 C GLY A 301 -2.444 -11.101 1.531 1.00 0.00 C ATOM 582 O GLY A 301 -2.711 -11.763 2.515 1.00 0.00 O ATOM 0 H GLY A 301 -1.463 -9.066 0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 301 -0.733 -11.952 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 301 -0.317 -10.857 1.825 1.00 0.00 H new ATOM 586 N ILE A 302 -3.368 -10.441 0.890 1.00 0.00 N ATOM 587 CA ILE A 302 -4.782 -10.490 1.361 1.00 0.00 C ATOM 588 C ILE A 302 -5.410 -11.841 1.008 1.00 0.00 C ATOM 589 O ILE A 302 -6.427 -12.224 1.552 1.00 0.00 O ATOM 590 CB ILE A 302 -5.489 -9.358 0.615 1.00 0.00 C ATOM 591 CG1 ILE A 302 -5.098 -8.016 1.239 1.00 0.00 C ATOM 592 CG2 ILE A 302 -7.004 -9.544 0.719 1.00 0.00 C ATOM 593 CD1 ILE A 302 -3.836 -7.484 0.558 1.00 0.00 C ATOM 0 H ILE A 302 -3.206 -9.870 0.061 1.00 0.00 H new ATOM 0 HA ILE A 302 -4.861 -10.376 2.442 1.00 0.00 H new ATOM 0 HB ILE A 302 -5.192 -9.374 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 302 -5.913 -7.300 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 302 -4.923 -8.137 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 302 -7.507 -8.737 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 302 -7.284 -10.500 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 302 -7.301 -9.528 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 302 -3.558 -6.528 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 302 -3.022 -8.197 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 302 -4.027 -7.347 -0.506 1.00 0.00 H new ATOM 605 N ARG A 303 -4.813 -12.564 0.101 1.00 0.00 N ATOM 606 CA ARG A 303 -5.377 -13.889 -0.285 1.00 0.00 C ATOM 607 C ARG A 303 -4.384 -14.650 -1.168 1.00 0.00 C ATOM 608 O ARG A 303 -3.649 -14.002 -1.894 1.00 0.00 O ATOM 609 CB ARG A 303 -6.650 -13.566 -1.066 1.00 0.00 C ATOM 610 CG ARG A 303 -7.747 -14.563 -0.690 1.00 0.00 C ATOM 611 CD ARG A 303 -9.098 -14.050 -1.192 1.00 0.00 C ATOM 612 NE ARG A 303 -9.830 -13.634 0.037 1.00 0.00 N ATOM 613 CZ ARG A 303 -10.967 -12.999 -0.060 1.00 0.00 C ATOM 614 NH1 ARG A 303 -11.470 -12.727 -1.234 1.00 0.00 N ATOM 615 NH2 ARG A 303 -11.604 -12.636 1.020 1.00 0.00 N ATOM 616 OXT ARG A 303 -4.375 -15.869 -1.101 1.00 0.00 O ATOM 0 H ARG A 303 -3.960 -12.295 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 303 -5.579 -14.519 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 303 -6.977 -12.550 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 303 -6.454 -13.612 -2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 303 -7.532 -15.538 -1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 303 -7.776 -14.697 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 303 -8.972 -13.213 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 303 -9.640 -14.827 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 303 -9.442 -13.846 0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -10.975 -13.011 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -12.358 -12.231 -1.306 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -11.214 -12.848 1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -12.492 -12.140 0.946 1.00 0.00 H new TER 630 ARG A 303