USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 268 hydrogens (2 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 237 THR OG1 : rot 180:sc= 0 USER MOD Single : A 239 SER OG : rot -54:sc= 0.094 USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 MET CE :methyl -173:sc= 0 (180deg=-0.017) USER MOD Single : A 244 THR OG1 : rot -174:sc= 0.603 USER MOD Single : A 246 SER OG : rot 180:sc= 0 USER MOD Single : A 248 SER OG : rot -52:sc= 1 USER MOD Single : A 252 SER OG : rot -35:sc= 1.2 USER MOD Single : A 254 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 266 SER OG : rot -46:sc= 1.18 USER MOD Single : A 267 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 236 4.692 17.519 14.766 1.00 0.00 N ATOM 2 CA PRO A 236 3.269 17.464 14.486 1.00 0.00 C ATOM 3 C PRO A 236 3.007 16.870 13.101 1.00 0.00 C ATOM 4 O PRO A 236 2.104 16.050 12.934 1.00 0.00 O ATOM 5 CB PRO A 236 2.784 18.898 14.619 1.00 0.00 C ATOM 6 CG PRO A 236 4.024 19.769 14.510 1.00 0.00 C ATOM 7 CD PRO A 236 5.241 18.871 14.668 1.00 0.00 C ATOM 0 HA PRO A 236 2.730 16.812 15.173 1.00 0.00 H new ATOM 0 HB2 PRO A 236 2.066 19.142 13.836 1.00 0.00 H new ATOM 0 HB3 PRO A 236 2.280 19.053 15.573 1.00 0.00 H new ATOM 0 HG2 PRO A 236 4.049 20.279 13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 236 4.017 20.541 15.279 1.00 0.00 H new ATOM 0 HD2 PRO A 236 5.915 18.964 13.817 1.00 0.00 H new ATOM 0 HD3 PRO A 236 5.813 19.132 15.558 1.00 0.00 H new ATOM 16 N THR A 237 3.810 17.306 12.142 1.00 0.00 N ATOM 17 CA THR A 237 3.653 16.854 10.771 1.00 0.00 C ATOM 18 C THR A 237 4.177 15.425 10.616 1.00 0.00 C ATOM 19 O THR A 237 5.072 15.006 11.349 1.00 0.00 O ATOM 20 CB THR A 237 4.356 17.862 9.858 1.00 0.00 C ATOM 21 OG1 THR A 237 3.908 19.129 10.329 1.00 0.00 O ATOM 22 CG2 THR A 237 3.847 17.799 8.416 1.00 0.00 C ATOM 0 H THR A 237 4.572 17.968 12.288 1.00 0.00 H new ATOM 0 HA THR A 237 2.602 16.813 10.486 1.00 0.00 H new ATOM 0 HB THR A 237 5.430 17.677 9.873 1.00 0.00 H new ATOM 0 HG1 THR A 237 4.317 19.840 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 237 4.378 18.534 7.810 1.00 0.00 H new ATOM 0 HG22 THR A 237 4.021 16.802 8.012 1.00 0.00 H new ATOM 0 HG23 THR A 237 2.779 18.017 8.397 1.00 0.00 H new ATOM 30 N ASP A 238 3.600 14.718 9.657 1.00 0.00 N ATOM 31 CA ASP A 238 3.943 13.321 9.446 1.00 0.00 C ATOM 32 C ASP A 238 4.858 13.204 8.226 1.00 0.00 C ATOM 33 O ASP A 238 4.839 12.193 7.526 1.00 0.00 O ATOM 34 CB ASP A 238 2.692 12.480 9.182 1.00 0.00 C ATOM 35 CG ASP A 238 2.802 11.011 9.595 1.00 0.00 C ATOM 36 OD1 ASP A 238 3.890 10.416 9.560 1.00 0.00 O ATOM 37 OD2 ASP A 238 1.694 10.467 9.972 1.00 0.00 O ATOM 0 H ASP A 238 2.897 15.086 9.016 1.00 0.00 H new ATOM 0 HA ASP A 238 4.439 12.956 10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 238 1.852 12.929 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 238 2.459 12.526 8.118 1.00 0.00 H new ATOM 42 N SER A 239 5.639 14.252 8.008 1.00 0.00 N ATOM 43 CA SER A 239 6.624 14.242 6.940 1.00 0.00 C ATOM 44 C SER A 239 5.925 14.121 5.584 1.00 0.00 C ATOM 45 O SER A 239 6.382 13.385 4.712 1.00 0.00 O ATOM 46 CB SER A 239 7.626 13.102 7.127 1.00 0.00 C ATOM 47 OG SER A 239 8.784 13.271 6.313 1.00 0.00 O ATOM 0 H SER A 239 5.610 15.114 8.553 1.00 0.00 H new ATOM 0 HA SER A 239 7.175 15.182 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 239 7.923 13.049 8.174 1.00 0.00 H new ATOM 0 HB3 SER A 239 7.146 12.154 6.883 1.00 0.00 H new ATOM 0 HG SER A 239 8.513 13.389 5.379 1.00 0.00 H new ATOM 53 N GLY A 240 4.829 14.852 5.452 1.00 0.00 N ATOM 54 CA GLY A 240 4.027 14.786 4.242 1.00 0.00 C ATOM 55 C GLY A 240 2.546 15.015 4.552 1.00 0.00 C ATOM 56 O GLY A 240 1.883 15.804 3.881 1.00 0.00 O ATOM 0 H GLY A 240 4.477 15.493 6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 240 4.373 15.536 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 240 4.157 13.813 3.768 1.00 0.00 H new ATOM 60 N GLU A 241 2.071 14.309 5.567 1.00 0.00 N ATOM 61 CA GLU A 241 0.666 14.371 5.928 1.00 0.00 C ATOM 62 C GLU A 241 -0.201 13.837 4.787 1.00 0.00 C ATOM 63 O GLU A 241 -0.663 12.698 4.834 1.00 0.00 O ATOM 64 CB GLU A 241 0.259 15.797 6.304 1.00 0.00 C ATOM 65 CG GLU A 241 -0.194 15.873 7.764 1.00 0.00 C ATOM 66 CD GLU A 241 -0.665 17.285 8.120 1.00 0.00 C ATOM 67 OE1 GLU A 241 0.116 18.243 8.012 1.00 0.00 O ATOM 68 OE2 GLU A 241 -1.887 17.367 8.520 1.00 0.00 O ATOM 0 H GLU A 241 2.635 13.691 6.151 1.00 0.00 H new ATOM 0 HA GLU A 241 0.509 13.740 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 241 1.100 16.472 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -0.547 16.133 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -1.003 15.162 7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 241 0.628 15.584 8.419 1.00 0.00 H new ATOM 76 N LYS A 242 -0.395 14.685 3.787 1.00 0.00 N ATOM 77 CA LYS A 242 -1.248 14.336 2.664 1.00 0.00 C ATOM 78 C LYS A 242 -0.556 13.266 1.817 1.00 0.00 C ATOM 79 O LYS A 242 -1.182 12.288 1.411 1.00 0.00 O ATOM 80 CB LYS A 242 -1.637 15.587 1.876 1.00 0.00 C ATOM 81 CG LYS A 242 -2.580 15.239 0.722 1.00 0.00 C ATOM 82 CD LYS A 242 -3.046 16.501 -0.006 1.00 0.00 C ATOM 83 CE LYS A 242 -4.202 17.169 0.742 1.00 0.00 C ATOM 84 NZ LYS A 242 -4.684 18.354 -0.002 1.00 0.00 N ATOM 0 H LYS A 242 0.024 15.613 3.732 1.00 0.00 H new ATOM 0 HA LYS A 242 -2.186 13.907 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -2.119 16.304 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -0.740 16.068 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -2.073 14.577 0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -3.444 14.696 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -2.215 17.200 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -3.361 16.246 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -5.018 16.458 0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -3.875 17.466 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -5.468 18.796 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -3.908 19.039 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -5.015 18.062 -0.944 1.00 0.00 H new ATOM 98 N MET A 243 0.728 13.488 1.573 1.00 0.00 N ATOM 99 CA MET A 243 1.532 12.517 0.852 1.00 0.00 C ATOM 100 C MET A 243 1.676 11.221 1.652 1.00 0.00 C ATOM 101 O MET A 243 1.583 10.129 1.094 1.00 0.00 O ATOM 102 CB MET A 243 2.918 13.104 0.577 1.00 0.00 C ATOM 103 CG MET A 243 2.844 14.217 -0.471 1.00 0.00 C ATOM 104 SD MET A 243 2.536 13.515 -2.083 1.00 0.00 S ATOM 105 CE MET A 243 4.200 13.063 -2.547 1.00 0.00 C ATOM 0 H MET A 243 1.231 14.327 1.862 1.00 0.00 H new ATOM 0 HA MET A 243 1.032 12.287 -0.089 1.00 0.00 H new ATOM 0 HB2 MET A 243 3.340 13.498 1.502 1.00 0.00 H new ATOM 0 HB3 MET A 243 3.588 12.317 0.230 1.00 0.00 H new ATOM 0 HG2 MET A 243 2.051 14.919 -0.213 1.00 0.00 H new ATOM 0 HG3 MET A 243 3.777 14.780 -0.482 1.00 0.00 H new ATOM 0 HE1 MET A 243 4.209 12.722 -3.582 1.00 0.00 H new ATOM 0 HE2 MET A 243 4.854 13.929 -2.444 1.00 0.00 H new ATOM 0 HE3 MET A 243 4.554 12.262 -1.898 1.00 0.00 H new ATOM 115 N THR A 244 1.900 11.384 2.948 1.00 0.00 N ATOM 116 CA THR A 244 2.085 10.242 3.825 1.00 0.00 C ATOM 117 C THR A 244 0.796 9.422 3.912 1.00 0.00 C ATOM 118 O THR A 244 0.842 8.205 4.087 1.00 0.00 O ATOM 119 CB THR A 244 2.568 10.760 5.181 1.00 0.00 C ATOM 120 OG1 THR A 244 3.782 11.444 4.880 1.00 0.00 O ATOM 121 CG2 THR A 244 3.000 9.632 6.120 1.00 0.00 C ATOM 0 H THR A 244 1.957 12.291 3.411 1.00 0.00 H new ATOM 0 HA THR A 244 2.841 9.561 3.433 1.00 0.00 H new ATOM 0 HB THR A 244 1.773 11.339 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 244 4.208 11.736 5.713 1.00 0.00 H new ATOM 0 HG21 THR A 244 3.334 10.055 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 244 2.157 8.964 6.298 1.00 0.00 H new ATOM 0 HG23 THR A 244 3.817 9.073 5.665 1.00 0.00 H new ATOM 129 N LEU A 245 -0.322 10.120 3.788 1.00 0.00 N ATOM 130 CA LEU A 245 -1.615 9.460 3.733 1.00 0.00 C ATOM 131 C LEU A 245 -1.668 8.551 2.504 1.00 0.00 C ATOM 132 O LEU A 245 -2.147 7.421 2.583 1.00 0.00 O ATOM 133 CB LEU A 245 -2.745 10.490 3.786 1.00 0.00 C ATOM 134 CG LEU A 245 -3.639 10.441 5.027 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.347 9.088 5.140 1.00 0.00 C ATOM 136 CD2 LEU A 245 -2.846 10.780 6.289 1.00 0.00 C ATOM 0 H LEU A 245 -0.360 11.137 3.724 1.00 0.00 H new ATOM 0 HA LEU A 245 -1.755 8.823 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.306 11.485 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.373 10.357 2.905 1.00 0.00 H new ATOM 0 HG LEU A 245 -4.413 11.201 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.976 9.080 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -4.966 8.926 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -3.604 8.294 5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -3.506 10.738 7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -2.036 10.061 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -2.430 11.783 6.199 1.00 0.00 H new ATOM 148 N SER A 246 -1.169 9.080 1.395 1.00 0.00 N ATOM 149 CA SER A 246 -1.081 8.305 0.171 1.00 0.00 C ATOM 150 C SER A 246 -0.252 7.041 0.408 1.00 0.00 C ATOM 151 O SER A 246 -0.703 5.934 0.120 1.00 0.00 O ATOM 152 CB SER A 246 -0.475 9.132 -0.965 1.00 0.00 C ATOM 153 OG SER A 246 -0.799 8.600 -2.247 1.00 0.00 O ATOM 0 H SER A 246 -0.822 10.036 1.320 1.00 0.00 H new ATOM 0 HA SER A 246 -2.091 8.019 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 246 -0.835 10.159 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 246 0.608 9.166 -0.850 1.00 0.00 H new ATOM 0 HG SER A 246 -0.395 9.158 -2.944 1.00 0.00 H new ATOM 159 N ILE A 247 0.947 7.250 0.933 1.00 0.00 N ATOM 160 CA ILE A 247 1.878 6.151 1.134 1.00 0.00 C ATOM 161 C ILE A 247 1.221 5.088 2.016 1.00 0.00 C ATOM 162 O ILE A 247 1.216 3.908 1.673 1.00 0.00 O ATOM 163 CB ILE A 247 3.208 6.670 1.683 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.864 7.645 0.701 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.139 5.513 2.048 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.324 7.900 1.076 1.00 0.00 C ATOM 0 H ILE A 247 1.295 8.163 1.225 1.00 0.00 H new ATOM 0 HA ILE A 247 2.117 5.674 0.183 1.00 0.00 H new ATOM 0 HB ILE A 247 3.006 7.223 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.810 7.241 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.316 8.587 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.077 5.909 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.666 4.891 2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.338 4.912 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.767 8.596 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.373 8.327 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 247 5.875 6.960 1.055 1.00 0.00 H new ATOM 178 N SER A 248 0.683 5.545 3.138 1.00 0.00 N ATOM 179 CA SER A 248 0.098 4.639 4.111 1.00 0.00 C ATOM 180 C SER A 248 -0.945 3.747 3.434 1.00 0.00 C ATOM 181 O SER A 248 -1.171 2.616 3.862 1.00 0.00 O ATOM 182 CB SER A 248 -0.534 5.409 5.272 1.00 0.00 C ATOM 183 OG SER A 248 -1.815 5.934 4.929 1.00 0.00 O ATOM 0 H SER A 248 0.640 6.531 3.394 1.00 0.00 H new ATOM 0 HA SER A 248 0.893 4.014 4.517 1.00 0.00 H new ATOM 0 HB2 SER A 248 -0.631 4.750 6.134 1.00 0.00 H new ATOM 0 HB3 SER A 248 0.125 6.225 5.568 1.00 0.00 H new ATOM 0 HG SER A 248 -1.748 6.439 4.092 1.00 0.00 H new ATOM 189 N VAL A 249 -1.554 4.289 2.390 1.00 0.00 N ATOM 190 CA VAL A 249 -2.595 3.571 1.675 1.00 0.00 C ATOM 191 C VAL A 249 -1.950 2.619 0.667 1.00 0.00 C ATOM 192 O VAL A 249 -2.005 1.401 0.835 1.00 0.00 O ATOM 193 CB VAL A 249 -3.562 4.563 1.026 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.432 3.872 -0.026 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.426 5.259 2.080 1.00 0.00 C ATOM 0 H VAL A 249 -1.346 5.217 2.022 1.00 0.00 H new ATOM 0 HA VAL A 249 -3.184 2.965 2.363 1.00 0.00 H new ATOM 0 HB VAL A 249 -2.969 5.327 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.110 4.599 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.796 3.446 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -5.011 3.078 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.104 5.958 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -5.005 4.514 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.785 5.801 2.776 1.00 0.00 H new ATOM 205 N LEU A 250 -1.353 3.208 -0.359 1.00 0.00 N ATOM 206 CA LEU A 250 -0.863 2.432 -1.485 1.00 0.00 C ATOM 207 C LEU A 250 0.130 1.381 -0.983 1.00 0.00 C ATOM 208 O LEU A 250 0.123 0.243 -1.449 1.00 0.00 O ATOM 209 CB LEU A 250 -0.289 3.356 -2.561 1.00 0.00 C ATOM 210 CG LEU A 250 -1.311 4.153 -3.377 1.00 0.00 C ATOM 211 CD1 LEU A 250 -1.553 5.529 -2.754 1.00 0.00 C ATOM 212 CD2 LEU A 250 -0.883 4.254 -4.842 1.00 0.00 C ATOM 0 H LEU A 250 -1.198 4.213 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.682 1.894 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.392 4.060 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.306 2.755 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 250 -2.260 3.617 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -2.282 6.076 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 250 -1.933 5.407 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 250 -0.616 6.086 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -1.626 4.825 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 250 0.083 4.756 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -0.800 3.254 -5.267 1.00 0.00 H new ATOM 224 N LEU A 251 0.960 1.802 -0.040 1.00 0.00 N ATOM 225 CA LEU A 251 2.063 0.971 0.410 1.00 0.00 C ATOM 226 C LEU A 251 1.508 -0.276 1.103 1.00 0.00 C ATOM 227 O LEU A 251 1.934 -1.393 0.813 1.00 0.00 O ATOM 228 CB LEU A 251 3.025 1.782 1.282 1.00 0.00 C ATOM 229 CG LEU A 251 4.358 1.110 1.614 1.00 0.00 C ATOM 230 CD1 LEU A 251 4.209 0.150 2.796 1.00 0.00 C ATOM 231 CD2 LEU A 251 4.945 0.416 0.383 1.00 0.00 C ATOM 0 H LEU A 251 0.891 2.707 0.424 1.00 0.00 H new ATOM 0 HA LEU A 251 2.652 0.628 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.232 2.726 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.520 2.024 2.217 1.00 0.00 H new ATOM 0 HG LEU A 251 5.064 1.884 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.171 -0.314 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 251 3.868 0.702 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 251 3.481 -0.622 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 251 5.893 -0.053 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 251 4.250 -0.345 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 251 5.111 1.151 -0.404 1.00 0.00 H new ATOM 243 N SER A 252 0.568 -0.042 2.005 1.00 0.00 N ATOM 244 CA SER A 252 -0.108 -1.137 2.681 1.00 0.00 C ATOM 245 C SER A 252 -0.876 -1.985 1.667 1.00 0.00 C ATOM 246 O SER A 252 -1.039 -3.190 1.855 1.00 0.00 O ATOM 247 CB SER A 252 -1.055 -0.615 3.764 1.00 0.00 C ATOM 248 OG SER A 252 -2.139 0.126 3.212 1.00 0.00 O ATOM 0 H SER A 252 0.258 0.889 2.284 1.00 0.00 H new ATOM 0 HA SER A 252 0.646 -1.758 3.165 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.445 -1.454 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 252 -0.500 0.017 4.458 1.00 0.00 H new ATOM 0 HG SER A 252 -1.830 0.620 2.424 1.00 0.00 H new ATOM 254 N LEU A 253 -1.331 -1.323 0.613 1.00 0.00 N ATOM 255 CA LEU A 253 -2.031 -2.010 -0.459 1.00 0.00 C ATOM 256 C LEU A 253 -1.024 -2.808 -1.290 1.00 0.00 C ATOM 257 O LEU A 253 -1.344 -3.883 -1.795 1.00 0.00 O ATOM 258 CB LEU A 253 -2.858 -1.020 -1.281 1.00 0.00 C ATOM 259 CG LEU A 253 -4.158 -1.563 -1.877 1.00 0.00 C ATOM 260 CD1 LEU A 253 -3.893 -2.804 -2.730 1.00 0.00 C ATOM 261 CD2 LEU A 253 -5.193 -1.831 -0.782 1.00 0.00 C ATOM 0 H LEU A 253 -1.228 -0.317 0.479 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.746 -2.724 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -3.101 -0.167 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -2.237 -0.646 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.576 -0.802 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -4.833 -3.170 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -3.215 -2.548 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.441 -3.580 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -6.108 -2.216 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.798 -2.564 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -5.412 -0.903 -0.253 1.00 0.00 H new ATOM 273 N THR A 254 0.173 -2.253 -1.404 1.00 0.00 N ATOM 274 CA THR A 254 1.201 -2.856 -2.235 1.00 0.00 C ATOM 275 C THR A 254 1.866 -4.022 -1.500 1.00 0.00 C ATOM 276 O THR A 254 2.298 -4.989 -2.126 1.00 0.00 O ATOM 277 CB THR A 254 2.185 -1.756 -2.644 1.00 0.00 C ATOM 278 OG1 THR A 254 1.419 -0.904 -3.492 1.00 0.00 O ATOM 279 CG2 THR A 254 3.303 -2.277 -3.549 1.00 0.00 C ATOM 0 H THR A 254 0.454 -1.392 -0.935 1.00 0.00 H new ATOM 0 HA THR A 254 0.774 -3.285 -3.142 1.00 0.00 H new ATOM 0 HB THR A 254 2.621 -1.308 -1.751 1.00 0.00 H new ATOM 0 HG1 THR A 254 0.884 -0.293 -2.944 1.00 0.00 H new ATOM 0 HG21 THR A 254 3.972 -1.457 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 254 3.864 -3.051 -3.025 1.00 0.00 H new ATOM 0 HG23 THR A 254 2.870 -2.695 -4.458 1.00 0.00 H new ATOM 287 N VAL A 255 1.925 -3.892 -0.184 1.00 0.00 N ATOM 288 CA VAL A 255 2.425 -4.970 0.652 1.00 0.00 C ATOM 289 C VAL A 255 1.399 -6.104 0.681 1.00 0.00 C ATOM 290 O VAL A 255 1.763 -7.278 0.642 1.00 0.00 O ATOM 291 CB VAL A 255 2.766 -4.437 2.045 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.882 -5.580 3.057 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.046 -3.600 2.014 1.00 0.00 C ATOM 0 H VAL A 255 1.635 -3.057 0.325 1.00 0.00 H new ATOM 0 HA VAL A 255 3.348 -5.377 0.239 1.00 0.00 H new ATOM 0 HB VAL A 255 1.950 -3.789 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.125 -5.173 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.934 -6.116 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.669 -6.265 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.265 -3.233 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.875 -4.215 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 255 3.911 -2.754 1.340 1.00 0.00 H new ATOM 303 N PHE A 256 0.133 -5.714 0.749 1.00 0.00 N ATOM 304 CA PHE A 256 -0.952 -6.676 0.668 1.00 0.00 C ATOM 305 C PHE A 256 -1.033 -7.293 -0.730 1.00 0.00 C ATOM 306 O PHE A 256 -1.405 -8.455 -0.877 1.00 0.00 O ATOM 307 CB PHE A 256 -2.248 -5.913 0.951 1.00 0.00 C ATOM 308 CG PHE A 256 -3.513 -6.764 0.824 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.636 -7.908 1.550 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.512 -6.379 -0.013 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.810 -8.700 1.432 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.686 -7.170 -0.129 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.809 -8.313 0.595 1.00 0.00 C ATOM 0 H PHE A 256 -0.164 -4.745 0.859 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.790 -7.482 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.201 -5.499 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.319 -5.071 0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.842 -8.214 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.413 -5.471 -0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.909 -9.609 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.481 -6.863 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.701 -8.915 0.506 1.00 0.00 H new ATOM 323 N LEU A 257 -0.681 -6.487 -1.720 1.00 0.00 N ATOM 324 CA LEU A 257 -0.621 -6.965 -3.090 1.00 0.00 C ATOM 325 C LEU A 257 0.558 -7.929 -3.236 1.00 0.00 C ATOM 326 O LEU A 257 0.467 -8.923 -3.956 1.00 0.00 O ATOM 327 CB LEU A 257 -0.578 -5.789 -4.068 1.00 0.00 C ATOM 328 CG LEU A 257 -0.671 -6.148 -5.552 1.00 0.00 C ATOM 329 CD1 LEU A 257 -2.084 -6.603 -5.918 1.00 0.00 C ATOM 330 CD2 LEU A 257 -0.199 -4.984 -6.428 1.00 0.00 C ATOM 0 H LEU A 257 -0.434 -5.505 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.524 -7.522 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.397 -5.111 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.349 -5.240 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 257 -0.003 -6.987 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -2.123 -6.852 -6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.347 -7.481 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -2.791 -5.800 -5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -0.275 -5.265 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -0.823 -4.111 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 257 0.838 -4.747 -6.190 1.00 0.00 H new ATOM 342 N LEU A 258 1.639 -7.602 -2.543 1.00 0.00 N ATOM 343 CA LEU A 258 2.796 -8.479 -2.503 1.00 0.00 C ATOM 344 C LEU A 258 2.394 -9.822 -1.887 1.00 0.00 C ATOM 345 O LEU A 258 2.677 -10.877 -2.451 1.00 0.00 O ATOM 346 CB LEU A 258 3.962 -7.798 -1.782 1.00 0.00 C ATOM 347 CG LEU A 258 5.356 -8.071 -2.353 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.418 -7.249 -1.619 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.673 -9.567 -2.330 1.00 0.00 C ATOM 0 H LEU A 258 1.738 -6.741 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 258 3.151 -8.684 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.791 -6.722 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.951 -8.112 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 258 5.367 -7.755 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.399 -7.461 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.197 -6.187 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.415 -7.513 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.669 -9.734 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.638 -9.931 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.938 -10.104 -2.930 1.00 0.00 H new ATOM 361 N VAL A 259 1.739 -9.737 -0.739 1.00 0.00 N ATOM 362 CA VAL A 259 1.231 -10.926 -0.078 1.00 0.00 C ATOM 363 C VAL A 259 0.427 -11.758 -1.081 1.00 0.00 C ATOM 364 O VAL A 259 0.579 -12.977 -1.143 1.00 0.00 O ATOM 365 CB VAL A 259 0.417 -10.531 1.157 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.473 -11.687 1.619 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.333 -10.059 2.288 1.00 0.00 C ATOM 0 H VAL A 259 1.548 -8.863 -0.250 1.00 0.00 H new ATOM 0 HA VAL A 259 2.054 -11.547 0.275 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.231 -9.699 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -1.041 -11.381 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.161 -11.958 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.148 -12.547 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.730 -9.784 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.017 -10.863 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 259 1.906 -9.193 1.955 1.00 0.00 H new ATOM 377 N ILE A 260 -0.408 -11.065 -1.841 1.00 0.00 N ATOM 378 CA ILE A 260 -1.283 -11.731 -2.790 1.00 0.00 C ATOM 379 C ILE A 260 -0.437 -12.397 -3.877 1.00 0.00 C ATOM 380 O ILE A 260 -0.725 -13.518 -4.293 1.00 0.00 O ATOM 381 CB ILE A 260 -2.326 -10.753 -3.334 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.427 -10.496 -2.303 1.00 0.00 C ATOM 383 CG2 ILE A 260 -2.894 -11.244 -4.668 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.340 -9.353 -2.751 1.00 0.00 C ATOM 0 H ILE A 260 -0.497 -10.049 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.848 -12.522 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.834 -9.799 -3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.016 -11.402 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -2.979 -10.252 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.633 -10.531 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.087 -11.335 -5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.367 -12.216 -4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.114 -9.190 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.752 -8.443 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.805 -9.611 -3.703 1.00 0.00 H new ATOM 396 N VAL A 261 0.589 -11.678 -4.307 1.00 0.00 N ATOM 397 CA VAL A 261 1.418 -12.140 -5.407 1.00 0.00 C ATOM 398 C VAL A 261 2.256 -13.333 -4.943 1.00 0.00 C ATOM 399 O VAL A 261 2.747 -14.108 -5.762 1.00 0.00 O ATOM 400 CB VAL A 261 2.266 -10.986 -5.944 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.450 -11.508 -6.761 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.416 -10.018 -6.770 1.00 0.00 C ATOM 0 H VAL A 261 0.865 -10.778 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 261 0.797 -12.482 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 261 2.664 -10.438 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 261 4.036 -10.667 -7.131 1.00 0.00 H new ATOM 0 HG12 VAL A 261 4.077 -12.138 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 261 3.081 -12.092 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.044 -9.207 -7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.976 -10.549 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.623 -9.607 -6.146 1.00 0.00 H new ATOM 412 N GLU A 262 2.395 -13.442 -3.629 1.00 0.00 N ATOM 413 CA GLU A 262 3.121 -14.555 -3.044 1.00 0.00 C ATOM 414 C GLU A 262 2.214 -15.783 -2.938 1.00 0.00 C ATOM 415 O GLU A 262 2.663 -16.911 -3.134 1.00 0.00 O ATOM 416 CB GLU A 262 3.695 -14.178 -1.677 1.00 0.00 C ATOM 417 CG GLU A 262 4.965 -13.339 -1.828 1.00 0.00 C ATOM 418 CD GLU A 262 5.631 -13.102 -0.470 1.00 0.00 C ATOM 419 OE1 GLU A 262 5.106 -12.159 0.236 1.00 0.00 O ATOM 420 OE2 GLU A 262 6.601 -13.792 -0.126 1.00 0.00 O ATOM 0 H GLU A 262 2.017 -12.777 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 262 3.958 -14.801 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.952 -13.620 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.917 -15.082 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.662 -13.845 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.720 -12.382 -2.289 1.00 0.00 H new ATOM 428 N LEU A 263 0.953 -15.521 -2.627 1.00 0.00 N ATOM 429 CA LEU A 263 0.021 -16.592 -2.313 1.00 0.00 C ATOM 430 C LEU A 263 -0.632 -17.091 -3.604 1.00 0.00 C ATOM 431 O LEU A 263 -1.069 -18.238 -3.680 1.00 0.00 O ATOM 432 CB LEU A 263 -0.983 -16.135 -1.253 1.00 0.00 C ATOM 433 CG LEU A 263 -0.639 -16.490 0.195 1.00 0.00 C ATOM 434 CD1 LEU A 263 0.710 -15.892 0.601 1.00 0.00 C ATOM 435 CD2 LEU A 263 -1.761 -16.067 1.146 1.00 0.00 C ATOM 0 H LEU A 263 0.554 -14.583 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 263 0.549 -17.439 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.090 -15.053 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -1.955 -16.568 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.547 -17.574 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 263 0.930 -16.159 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 263 1.492 -16.283 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 263 0.670 -14.807 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -1.490 -16.331 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.910 -14.989 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -2.683 -16.579 0.871 1.00 0.00 H new ATOM 447 N ILE A 264 -0.676 -16.204 -4.587 1.00 0.00 N ATOM 448 CA ILE A 264 -1.323 -16.518 -5.850 1.00 0.00 C ATOM 449 C ILE A 264 -0.629 -17.722 -6.489 1.00 0.00 C ATOM 450 O ILE A 264 -1.285 -18.686 -6.880 1.00 0.00 O ATOM 451 CB ILE A 264 -1.368 -15.283 -6.752 1.00 0.00 C ATOM 452 CG1 ILE A 264 -2.575 -14.406 -6.422 1.00 0.00 C ATOM 453 CG2 ILE A 264 -1.332 -15.681 -8.228 1.00 0.00 C ATOM 454 CD1 ILE A 264 -3.840 -14.939 -7.098 1.00 0.00 C ATOM 0 H ILE A 264 -0.274 -15.268 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.363 -16.800 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 264 -0.477 -14.686 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -2.721 -14.373 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.387 -13.383 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -1.365 -14.785 -8.847 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -0.414 -16.231 -8.434 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -2.191 -16.311 -8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -4.685 -14.297 -6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -3.699 -14.947 -8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -4.039 -15.953 -6.750 1.00 0.00 H new ATOM 466 N PRO A 265 0.725 -17.624 -6.577 1.00 0.00 N ATOM 467 CA PRO A 265 1.519 -18.709 -7.129 1.00 0.00 C ATOM 468 C PRO A 265 1.632 -19.867 -6.134 1.00 0.00 C ATOM 469 O PRO A 265 2.383 -20.814 -6.362 1.00 0.00 O ATOM 470 CB PRO A 265 2.861 -18.082 -7.467 1.00 0.00 C ATOM 471 CG PRO A 265 2.930 -16.790 -6.668 1.00 0.00 C ATOM 472 CD PRO A 265 1.532 -16.484 -6.157 1.00 0.00 C ATOM 0 HA PRO A 265 1.067 -19.152 -8.017 1.00 0.00 H new ATOM 0 HB2 PRO A 265 3.682 -18.749 -7.203 1.00 0.00 H new ATOM 0 HB3 PRO A 265 2.942 -17.885 -8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 265 3.627 -16.892 -5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 265 3.296 -15.974 -7.292 1.00 0.00 H new ATOM 0 HD2 PRO A 265 1.523 -16.371 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 265 1.152 -15.553 -6.578 1.00 0.00 H new ATOM 480 N SER A 266 0.876 -19.752 -5.053 1.00 0.00 N ATOM 481 CA SER A 266 0.811 -20.818 -4.068 1.00 0.00 C ATOM 482 C SER A 266 -0.593 -21.426 -4.048 1.00 0.00 C ATOM 483 O SER A 266 -0.854 -22.369 -3.301 1.00 0.00 O ATOM 484 CB SER A 266 1.189 -20.307 -2.676 1.00 0.00 C ATOM 485 OG SER A 266 0.043 -19.920 -1.922 1.00 0.00 O ATOM 0 H SER A 266 0.303 -18.936 -4.837 1.00 0.00 H new ATOM 0 HA SER A 266 1.530 -21.588 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 266 1.731 -21.085 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 266 1.864 -19.457 -2.772 1.00 0.00 H new ATOM 0 HG SER A 266 -0.546 -19.371 -2.481 1.00 0.00 H new ATOM 491 N THR A 267 -1.459 -20.862 -4.876 1.00 0.00 N ATOM 492 CA THR A 267 -2.804 -21.393 -5.027 1.00 0.00 C ATOM 493 C THR A 267 -2.852 -22.412 -6.168 1.00 0.00 C ATOM 494 O THR A 267 -1.909 -22.517 -6.950 1.00 0.00 O ATOM 495 CB THR A 267 -3.757 -20.213 -5.226 1.00 0.00 C ATOM 496 OG1 THR A 267 -4.600 -20.250 -4.076 1.00 0.00 O ATOM 497 CG2 THR A 267 -4.716 -20.426 -6.398 1.00 0.00 C ATOM 0 H THR A 267 -1.257 -20.043 -5.449 1.00 0.00 H new ATOM 0 HA THR A 267 -3.117 -21.937 -4.136 1.00 0.00 H new ATOM 0 HB THR A 267 -3.179 -19.304 -5.391 1.00 0.00 H new ATOM 0 HG1 THR A 267 -5.249 -19.517 -4.122 1.00 0.00 H new ATOM 0 HG21 THR A 267 -5.370 -19.559 -6.495 1.00 0.00 H new ATOM 0 HG22 THR A 267 -4.144 -20.554 -7.317 1.00 0.00 H new ATOM 0 HG23 THR A 267 -5.318 -21.317 -6.218 1.00 0.00 H new HETATM 505 N NH2 A 268 -3.960 -23.135 -6.226 1.00 0.00 N TER 508 NH2 A 268