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= -0.0162 USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 242 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0658) USER MOD Single : A 243 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 244 THR OG1 : rot 88:sc= 0.991 USER MOD Single : A 246 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 248 SER OG : rot 74:sc= 0.975 USER MOD Single : A 252 SER OG : rot 31:sc= 1.15 USER MOD Single : A 254 THR OG1 : rot 82:sc= 0.947 USER MOD Single : A 266 SER OG : rot -69:sc= 0.968 USER MOD Single : A 267 THR OG1 : rot 47:sc= 0.568 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 236 -4.755 22.156 -6.392 1.00 0.00 N ATOM 2 CA PRO A 236 -4.605 22.070 -4.950 1.00 0.00 C ATOM 3 C PRO A 236 -3.612 20.972 -4.568 1.00 0.00 C ATOM 4 O PRO A 236 -4.011 19.851 -4.255 1.00 0.00 O ATOM 5 CB PRO A 236 -6.007 21.814 -4.423 1.00 0.00 C ATOM 6 CG PRO A 236 -6.812 21.304 -5.606 1.00 0.00 C ATOM 7 CD PRO A 236 -6.015 21.590 -6.870 1.00 0.00 C ATOM 0 HA PRO A 236 -4.191 22.979 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -5.993 21.082 -3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -6.444 22.727 -4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -7.000 20.235 -5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -7.784 21.796 -5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -5.847 20.681 -7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -6.541 22.288 -7.521 1.00 0.00 H new ATOM 16 N THR A 237 -2.337 21.331 -4.606 1.00 0.00 N ATOM 17 CA THR A 237 -1.285 20.397 -4.243 1.00 0.00 C ATOM 18 C THR A 237 -0.314 21.045 -3.254 1.00 0.00 C ATOM 19 O THR A 237 0.380 22.001 -3.596 1.00 0.00 O ATOM 20 CB THR A 237 -0.611 19.919 -5.531 1.00 0.00 C ATOM 21 OG1 THR A 237 -1.696 19.519 -6.363 1.00 0.00 O ATOM 22 CG2 THR A 237 0.196 18.635 -5.328 1.00 0.00 C ATOM 0 H THR A 237 -2.009 22.256 -4.883 1.00 0.00 H new ATOM 0 HA THR A 237 -1.691 19.526 -3.729 1.00 0.00 H new ATOM 0 HB THR A 237 0.044 20.703 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 237 -1.349 19.196 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 237 0.653 18.339 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 237 0.975 18.809 -4.586 1.00 0.00 H new ATOM 0 HG23 THR A 237 -0.465 17.841 -4.981 1.00 0.00 H new ATOM 30 N ASP A 238 -0.297 20.499 -2.047 1.00 0.00 N ATOM 31 CA ASP A 238 0.505 21.071 -0.978 1.00 0.00 C ATOM 32 C ASP A 238 1.948 20.579 -1.112 1.00 0.00 C ATOM 33 O ASP A 238 2.887 21.371 -1.040 1.00 0.00 O ATOM 34 CB ASP A 238 -0.016 20.639 0.393 1.00 0.00 C ATOM 35 CG ASP A 238 0.562 21.414 1.579 1.00 0.00 C ATOM 36 OD1 ASP A 238 1.685 20.964 2.028 1.00 0.00 O ATOM 37 OD2 ASP A 238 -0.028 22.398 2.048 1.00 0.00 O ATOM 0 H ASP A 238 -0.825 19.667 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 238 0.450 22.157 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -1.101 20.746 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 238 0.201 19.580 0.530 1.00 0.00 H new ATOM 42 N SER A 239 2.080 19.275 -1.304 1.00 0.00 N ATOM 43 CA SER A 239 3.393 18.656 -1.369 1.00 0.00 C ATOM 44 C SER A 239 3.302 17.309 -2.086 1.00 0.00 C ATOM 45 O SER A 239 3.440 16.258 -1.460 1.00 0.00 O ATOM 46 CB SER A 239 3.986 18.475 0.030 1.00 0.00 C ATOM 47 OG SER A 239 5.273 17.864 -0.011 1.00 0.00 O ATOM 0 H SER A 239 1.298 18.629 -1.417 1.00 0.00 H new ATOM 0 HA SER A 239 4.054 19.315 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 239 4.061 19.446 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 239 3.314 17.864 0.633 1.00 0.00 H new ATOM 0 HG SER A 239 5.618 17.767 0.901 1.00 0.00 H new ATOM 53 N GLY A 240 3.070 17.381 -3.388 1.00 0.00 N ATOM 54 CA GLY A 240 2.957 16.179 -4.197 1.00 0.00 C ATOM 55 C GLY A 240 1.975 15.186 -3.572 1.00 0.00 C ATOM 56 O GLY A 240 2.271 13.997 -3.465 1.00 0.00 O ATOM 0 H GLY A 240 2.957 18.254 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 240 2.624 16.442 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 240 3.936 15.712 -4.299 1.00 0.00 H new ATOM 60 N GLU A 241 0.825 15.712 -3.176 1.00 0.00 N ATOM 61 CA GLU A 241 -0.195 14.892 -2.546 1.00 0.00 C ATOM 62 C GLU A 241 -0.862 13.985 -3.583 1.00 0.00 C ATOM 63 O GLU A 241 -0.933 12.772 -3.397 1.00 0.00 O ATOM 64 CB GLU A 241 -1.232 15.759 -1.829 1.00 0.00 C ATOM 65 CG GLU A 241 -0.690 16.269 -0.492 1.00 0.00 C ATOM 66 CD GLU A 241 -1.690 17.209 0.183 1.00 0.00 C ATOM 67 OE1 GLU A 241 -2.740 17.518 -0.399 1.00 0.00 O ATOM 68 OE2 GLU A 241 -1.346 17.620 1.356 1.00 0.00 O ATOM 0 H GLU A 241 0.577 16.696 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 241 0.285 14.263 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -1.504 16.604 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -2.141 15.181 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -0.479 15.425 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 241 0.253 16.791 -0.653 1.00 0.00 H new ATOM 76 N LYS A 242 -1.333 14.610 -4.652 1.00 0.00 N ATOM 77 CA LYS A 242 -1.922 13.867 -5.753 1.00 0.00 C ATOM 78 C LYS A 242 -0.887 12.891 -6.316 1.00 0.00 C ATOM 79 O LYS A 242 -1.223 11.762 -6.671 1.00 0.00 O ATOM 80 CB LYS A 242 -2.495 14.826 -6.799 1.00 0.00 C ATOM 81 CG LYS A 242 -3.086 14.055 -7.983 1.00 0.00 C ATOM 82 CD LYS A 242 -3.733 15.009 -8.989 1.00 0.00 C ATOM 83 CE LYS A 242 -4.401 14.235 -10.127 1.00 0.00 C ATOM 84 NZ LYS A 242 -3.381 13.586 -10.981 1.00 0.00 N ATOM 0 H LYS A 242 -1.319 15.622 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 242 -2.765 13.271 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -3.266 15.448 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -1.711 15.496 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -2.302 13.479 -8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -3.828 13.342 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -4.473 15.630 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -2.978 15.681 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -5.073 13.481 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -5.009 14.912 -10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -3.839 13.180 -11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -2.677 14.291 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -2.909 12.830 -10.445 1.00 0.00 H new ATOM 98 N MET A 243 0.350 13.361 -6.378 1.00 0.00 N ATOM 99 CA MET A 243 1.439 12.539 -6.880 1.00 0.00 C ATOM 100 C MET A 243 1.636 11.298 -6.007 1.00 0.00 C ATOM 101 O MET A 243 1.682 10.178 -6.514 1.00 0.00 O ATOM 102 CB MET A 243 2.730 13.359 -6.901 1.00 0.00 C ATOM 103 CG MET A 243 3.868 12.571 -7.552 1.00 0.00 C ATOM 104 SD MET A 243 3.523 12.318 -9.285 1.00 0.00 S ATOM 105 CE MET A 243 4.908 11.283 -9.728 1.00 0.00 C ATOM 0 H MET A 243 0.623 14.300 -6.089 1.00 0.00 H new ATOM 0 HA MET A 243 1.189 12.214 -7.890 1.00 0.00 H new ATOM 0 HB2 MET A 243 2.567 14.288 -7.448 1.00 0.00 H new ATOM 0 HB3 MET A 243 3.008 13.633 -5.883 1.00 0.00 H new ATOM 0 HG2 MET A 243 4.808 13.110 -7.435 1.00 0.00 H new ATOM 0 HG3 MET A 243 3.988 11.610 -7.053 1.00 0.00 H new ATOM 0 HE1 MET A 243 4.849 11.029 -10.786 1.00 0.00 H new ATOM 0 HE2 MET A 243 5.838 11.818 -9.535 1.00 0.00 H new ATOM 0 HE3 MET A 243 4.884 10.370 -9.134 1.00 0.00 H new ATOM 115 N THR A 244 1.746 11.539 -4.709 1.00 0.00 N ATOM 116 CA THR A 244 1.981 10.460 -3.764 1.00 0.00 C ATOM 117 C THR A 244 0.803 9.484 -3.767 1.00 0.00 C ATOM 118 O THR A 244 0.987 8.282 -3.579 1.00 0.00 O ATOM 119 CB THR A 244 2.251 11.082 -2.393 1.00 0.00 C ATOM 120 OG1 THR A 244 3.514 11.724 -2.546 1.00 0.00 O ATOM 121 CG2 THR A 244 2.498 10.029 -1.311 1.00 0.00 C ATOM 0 H THR A 244 1.677 12.466 -4.289 1.00 0.00 H new ATOM 0 HA THR A 244 2.853 9.870 -4.046 1.00 0.00 H new ATOM 0 HB THR A 244 1.406 11.707 -2.105 1.00 0.00 H new ATOM 0 HG1 THR A 244 3.379 12.637 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 244 2.684 10.524 -0.358 1.00 0.00 H new ATOM 0 HG22 THR A 244 1.622 9.387 -1.221 1.00 0.00 H new ATOM 0 HG23 THR A 244 3.364 9.425 -1.582 1.00 0.00 H new ATOM 129 N LEU A 245 -0.382 10.036 -3.983 1.00 0.00 N ATOM 130 CA LEU A 245 -1.579 9.221 -4.098 1.00 0.00 C ATOM 131 C LEU A 245 -1.475 8.344 -5.348 1.00 0.00 C ATOM 132 O LEU A 245 -1.785 7.155 -5.304 1.00 0.00 O ATOM 133 CB LEU A 245 -2.831 10.099 -4.065 1.00 0.00 C ATOM 134 CG LEU A 245 -3.383 10.429 -2.676 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.230 11.702 -2.711 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.156 9.242 -2.098 1.00 0.00 C ATOM 0 H LEU A 245 -0.539 11.039 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 245 -1.667 8.550 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.608 11.035 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.614 9.602 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 245 -2.541 10.621 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.610 11.914 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -3.618 12.537 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -5.067 11.563 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -4.538 9.502 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.989 8.995 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -3.492 8.381 -2.015 1.00 0.00 H new ATOM 148 N SER A 246 -1.038 8.966 -6.432 1.00 0.00 N ATOM 149 CA SER A 246 -0.913 8.263 -7.699 1.00 0.00 C ATOM 150 C SER A 246 0.030 7.070 -7.544 1.00 0.00 C ATOM 151 O SER A 246 -0.222 5.999 -8.095 1.00 0.00 O ATOM 152 CB SER A 246 -0.410 9.199 -8.800 1.00 0.00 C ATOM 153 OG SER A 246 -0.512 8.605 -10.092 1.00 0.00 O ATOM 0 H SER A 246 -0.766 9.949 -6.460 1.00 0.00 H new ATOM 0 HA SER A 246 -1.900 7.902 -7.989 1.00 0.00 H new ATOM 0 HB2 SER A 246 -0.985 10.125 -8.780 1.00 0.00 H new ATOM 0 HB3 SER A 246 0.629 9.465 -8.604 1.00 0.00 H new ATOM 0 HG SER A 246 -0.183 9.234 -10.768 1.00 0.00 H new ATOM 159 N ILE A 247 1.098 7.293 -6.793 1.00 0.00 N ATOM 160 CA ILE A 247 2.072 6.243 -6.543 1.00 0.00 C ATOM 161 C ILE A 247 1.458 5.196 -5.612 1.00 0.00 C ATOM 162 O ILE A 247 1.553 3.998 -5.871 1.00 0.00 O ATOM 163 CB ILE A 247 3.381 6.839 -6.022 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.986 7.807 -7.040 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.365 5.737 -5.624 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.420 8.181 -6.656 1.00 0.00 C ATOM 0 H ILE A 247 1.311 8.186 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 247 2.329 5.733 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 247 3.160 7.414 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.978 7.351 -8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.375 8.708 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.287 6.188 -5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.925 5.122 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.585 5.115 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.827 8.870 -7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.422 8.658 -5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 247 6.034 7.281 -6.622 1.00 0.00 H new ATOM 178 N SER A 248 0.844 5.687 -4.545 1.00 0.00 N ATOM 179 CA SER A 248 0.311 4.808 -3.519 1.00 0.00 C ATOM 180 C SER A 248 -0.668 3.810 -4.141 1.00 0.00 C ATOM 181 O SER A 248 -0.807 2.687 -3.657 1.00 0.00 O ATOM 182 CB SER A 248 -0.379 5.608 -2.412 1.00 0.00 C ATOM 183 OG SER A 248 0.553 6.348 -1.628 1.00 0.00 O ATOM 0 H SER A 248 0.704 6.682 -4.369 1.00 0.00 H new ATOM 0 HA SER A 248 1.142 4.262 -3.072 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.103 6.292 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 248 -0.936 4.929 -1.767 1.00 0.00 H new ATOM 0 HG SER A 248 0.878 7.115 -2.144 1.00 0.00 H new ATOM 189 N VAL A 249 -1.322 4.254 -5.204 1.00 0.00 N ATOM 190 CA VAL A 249 -2.352 3.452 -5.840 1.00 0.00 C ATOM 191 C VAL A 249 -1.721 2.598 -6.942 1.00 0.00 C ATOM 192 O VAL A 249 -1.849 1.374 -6.934 1.00 0.00 O ATOM 193 CB VAL A 249 -3.476 4.354 -6.352 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.433 3.576 -7.258 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.229 5.005 -5.190 1.00 0.00 C ATOM 0 H VAL A 249 -1.158 5.161 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.804 2.770 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.024 5.149 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.223 4.240 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.884 3.182 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.874 2.751 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.023 5.641 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.663 4.230 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.538 5.608 -4.601 1.00 0.00 H new ATOM 205 N LEU A 250 -1.053 3.277 -7.863 1.00 0.00 N ATOM 206 CA LEU A 250 -0.570 2.627 -9.068 1.00 0.00 C ATOM 207 C LEU A 250 0.515 1.614 -8.696 1.00 0.00 C ATOM 208 O LEU A 250 0.662 0.585 -9.354 1.00 0.00 O ATOM 209 CB LEU A 250 -0.114 3.667 -10.093 1.00 0.00 C ATOM 210 CG LEU A 250 -1.206 4.581 -10.653 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.602 5.713 -11.485 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.240 3.777 -11.444 1.00 0.00 C ATOM 0 H LEU A 250 -0.835 4.271 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.375 2.071 -9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.653 4.290 -9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.357 3.145 -10.926 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.728 5.042 -9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.400 6.347 -11.871 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.064 6.308 -10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 250 -0.039 5.292 -12.318 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -3.005 4.450 -11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.749 3.270 -12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.704 3.038 -10.791 1.00 0.00 H new ATOM 224 N LEU A 251 1.249 1.942 -7.642 1.00 0.00 N ATOM 225 CA LEU A 251 2.344 1.095 -7.200 1.00 0.00 C ATOM 226 C LEU A 251 1.778 -0.213 -6.643 1.00 0.00 C ATOM 227 O LEU A 251 2.283 -1.293 -6.949 1.00 0.00 O ATOM 228 CB LEU A 251 3.238 1.847 -6.213 1.00 0.00 C ATOM 229 CG LEU A 251 4.547 1.154 -5.830 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.477 1.032 -7.040 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.223 1.866 -4.657 1.00 0.00 C ATOM 0 H LEU A 251 1.107 2.782 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 251 2.986 0.833 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.477 2.821 -6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.667 2.029 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 251 4.313 0.142 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.400 0.536 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.987 0.447 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.707 2.026 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.151 1.352 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.442 2.897 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 251 4.558 1.857 -3.794 1.00 0.00 H new ATOM 243 N SER A 252 0.737 -0.074 -5.835 1.00 0.00 N ATOM 244 CA SER A 252 0.059 -1.234 -5.281 1.00 0.00 C ATOM 245 C SER A 252 -0.669 -1.994 -6.392 1.00 0.00 C ATOM 246 O SER A 252 -0.817 -3.213 -6.321 1.00 0.00 O ATOM 247 CB SER A 252 -0.926 -0.825 -4.184 1.00 0.00 C ATOM 248 OG SER A 252 -1.741 0.275 -4.582 1.00 0.00 O ATOM 0 H SER A 252 0.346 0.824 -5.551 1.00 0.00 H new ATOM 0 HA SER A 252 0.808 -1.887 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.561 -1.674 -3.932 1.00 0.00 H new ATOM 0 HB3 SER A 252 -0.375 -0.560 -3.282 1.00 0.00 H new ATOM 0 HG SER A 252 -1.880 0.245 -5.552 1.00 0.00 H new ATOM 254 N LEU A 253 -1.104 -1.243 -7.393 1.00 0.00 N ATOM 255 CA LEU A 253 -1.778 -1.835 -8.535 1.00 0.00 C ATOM 256 C LEU A 253 -0.768 -2.635 -9.359 1.00 0.00 C ATOM 257 O LEU A 253 -1.088 -3.707 -9.870 1.00 0.00 O ATOM 258 CB LEU A 253 -2.516 -0.761 -9.338 1.00 0.00 C ATOM 259 CG LEU A 253 -3.796 -1.213 -10.045 1.00 0.00 C ATOM 260 CD1 LEU A 253 -4.541 -0.018 -10.644 1.00 0.00 C ATOM 261 CD2 LEU A 253 -3.494 -2.285 -11.093 1.00 0.00 C ATOM 0 H LEU A 253 -1.002 -0.229 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.545 -2.535 -8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.766 0.059 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.832 -0.362 -10.087 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.455 -1.665 -9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -5.447 -0.366 -11.141 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -4.808 0.680 -9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.900 0.484 -11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -4.420 -2.589 -11.580 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -2.807 -1.883 -11.838 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -3.039 -3.149 -10.609 1.00 0.00 H new ATOM 273 N THR A 254 0.431 -2.082 -9.464 1.00 0.00 N ATOM 274 CA THR A 254 1.479 -2.710 -10.251 1.00 0.00 C ATOM 275 C THR A 254 2.005 -3.958 -9.540 1.00 0.00 C ATOM 276 O THR A 254 2.315 -4.960 -10.182 1.00 0.00 O ATOM 277 CB THR A 254 2.561 -1.663 -10.520 1.00 0.00 C ATOM 278 OG1 THR A 254 1.943 -0.748 -11.420 1.00 0.00 O ATOM 279 CG2 THR A 254 3.739 -2.229 -11.317 1.00 0.00 C ATOM 0 H THR A 254 0.700 -1.206 -9.017 1.00 0.00 H new ATOM 0 HA THR A 254 1.097 -3.058 -11.211 1.00 0.00 H new ATOM 0 HB THR A 254 2.922 -1.263 -9.572 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.388 -0.117 -10.915 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.478 -1.445 -11.480 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.195 -3.047 -10.760 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.383 -2.599 -12.279 1.00 0.00 H new ATOM 287 N VAL A 255 2.088 -3.858 -8.221 1.00 0.00 N ATOM 288 CA VAL A 255 2.506 -4.988 -7.409 1.00 0.00 C ATOM 289 C VAL A 255 1.449 -6.090 -7.495 1.00 0.00 C ATOM 290 O VAL A 255 1.783 -7.264 -7.651 1.00 0.00 O ATOM 291 CB VAL A 255 2.777 -4.530 -5.975 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.806 -5.721 -5.015 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.077 -3.727 -5.892 1.00 0.00 C ATOM 0 H VAL A 255 1.873 -3.011 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 255 3.441 -5.404 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 255 1.959 -3.876 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.000 -5.367 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.844 -6.234 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.594 -6.412 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.246 -3.414 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.910 -4.347 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 255 4.003 -2.847 -6.531 1.00 0.00 H new ATOM 303 N PHE A 256 0.196 -5.675 -7.389 1.00 0.00 N ATOM 304 CA PHE A 256 -0.914 -6.608 -7.489 1.00 0.00 C ATOM 305 C PHE A 256 -0.979 -7.234 -8.883 1.00 0.00 C ATOM 306 O PHE A 256 -1.317 -8.408 -9.025 1.00 0.00 O ATOM 307 CB PHE A 256 -2.195 -5.809 -7.241 1.00 0.00 C ATOM 308 CG PHE A 256 -3.476 -6.635 -7.361 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.602 -7.800 -6.672 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.492 -6.203 -8.156 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.791 -8.568 -6.783 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.682 -6.971 -8.267 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.806 -8.136 -7.578 1.00 0.00 C ATOM 0 H PHE A 256 -0.076 -4.704 -7.235 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.790 -7.412 -6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.150 -5.370 -6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.239 -4.983 -7.951 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.796 -8.142 -6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.394 -5.277 -8.702 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.889 -9.494 -6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.488 -6.629 -8.899 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.711 -8.719 -7.662 1.00 0.00 H new ATOM 323 N LEU A 257 -0.651 -6.423 -9.878 1.00 0.00 N ATOM 324 CA LEU A 257 -0.578 -6.907 -11.246 1.00 0.00 C ATOM 325 C LEU A 257 0.547 -7.938 -11.358 1.00 0.00 C ATOM 326 O LEU A 257 0.389 -8.966 -12.015 1.00 0.00 O ATOM 327 CB LEU A 257 -0.438 -5.737 -12.221 1.00 0.00 C ATOM 328 CG LEU A 257 -0.494 -6.093 -13.708 1.00 0.00 C ATOM 329 CD1 LEU A 257 0.871 -6.568 -14.210 1.00 0.00 C ATOM 330 CD2 LEU A 257 -1.595 -7.118 -13.985 1.00 0.00 C ATOM 0 H LEU A 257 -0.433 -5.433 -9.764 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.504 -7.413 -11.521 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.229 -5.017 -12.010 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.510 -5.236 -12.023 1.00 0.00 H new ATOM 0 HG LEU A 257 -0.746 -5.191 -14.266 1.00 0.00 H new ATOM 0 HD11 LEU A 257 0.803 -6.815 -15.270 1.00 0.00 H new ATOM 0 HD12 LEU A 257 1.607 -5.776 -14.068 1.00 0.00 H new ATOM 0 HD13 LEU A 257 1.177 -7.452 -13.651 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -1.613 -7.354 -15.049 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -1.398 -8.026 -13.416 1.00 0.00 H new ATOM 0 HD23 LEU A 257 -2.559 -6.705 -13.688 1.00 0.00 H new ATOM 342 N LEU A 258 1.658 -7.629 -10.704 1.00 0.00 N ATOM 343 CA LEU A 258 2.777 -8.555 -10.649 1.00 0.00 C ATOM 344 C LEU A 258 2.307 -9.879 -10.043 1.00 0.00 C ATOM 345 O LEU A 258 2.552 -10.945 -10.604 1.00 0.00 O ATOM 346 CB LEU A 258 3.958 -7.924 -9.911 1.00 0.00 C ATOM 347 CG LEU A 258 5.347 -8.254 -10.463 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.434 -7.488 -9.706 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.597 -9.764 -10.451 1.00 0.00 C ATOM 0 H LEU A 258 1.807 -6.750 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 258 3.141 -8.775 -11.653 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.832 -6.841 -9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.919 -8.238 -8.868 1.00 0.00 H new ATOM 0 HG LEU A 258 5.388 -7.928 -11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.411 -7.741 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.263 -6.416 -9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.404 -7.761 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.591 -9.971 -10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.530 -10.136 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.849 -10.262 -11.068 1.00 0.00 H new ATOM 361 N VAL A 259 1.642 -9.767 -8.902 1.00 0.00 N ATOM 362 CA VAL A 259 1.154 -10.943 -8.202 1.00 0.00 C ATOM 363 C VAL A 259 0.272 -11.763 -9.145 1.00 0.00 C ATOM 364 O VAL A 259 0.336 -12.992 -9.149 1.00 0.00 O ATOM 365 CB VAL A 259 0.432 -10.526 -6.919 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.429 -11.670 -6.377 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.427 -10.042 -5.862 1.00 0.00 C ATOM 0 H VAL A 259 1.430 -8.880 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 259 1.985 -11.580 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.229 -9.695 -7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.931 -11.347 -5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.174 -11.949 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.204 -12.530 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.888 -9.752 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.125 -10.845 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 259 1.978 -9.184 -6.247 1.00 0.00 H new ATOM 377 N ILE A 260 -0.532 -11.052 -9.920 1.00 0.00 N ATOM 378 CA ILE A 260 -1.456 -11.700 -10.837 1.00 0.00 C ATOM 379 C ILE A 260 -0.661 -12.473 -11.891 1.00 0.00 C ATOM 380 O ILE A 260 -1.023 -13.594 -12.247 1.00 0.00 O ATOM 381 CB ILE A 260 -2.430 -10.678 -11.427 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.537 -10.337 -10.429 1.00 0.00 C ATOM 383 CG2 ILE A 260 -2.994 -11.168 -12.763 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.352 -9.132 -10.905 1.00 0.00 C ATOM 0 H ILE A 260 -0.564 -10.033 -9.933 1.00 0.00 H new ATOM 0 HA ILE A 260 -2.074 -12.425 -10.308 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.881 -9.757 -11.626 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.194 -11.197 -10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.099 -10.122 -9.454 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.684 -10.424 -13.162 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.177 -11.321 -13.469 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.523 -12.109 -12.611 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.133 -8.910 -10.177 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.696 -8.267 -11.009 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.808 -9.359 -11.869 1.00 0.00 H new ATOM 396 N VAL A 261 0.406 -11.844 -12.362 1.00 0.00 N ATOM 397 CA VAL A 261 1.216 -12.432 -13.415 1.00 0.00 C ATOM 398 C VAL A 261 1.953 -13.655 -12.866 1.00 0.00 C ATOM 399 O VAL A 261 2.282 -14.573 -13.615 1.00 0.00 O ATOM 400 CB VAL A 261 2.159 -11.377 -13.997 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.290 -12.033 -14.794 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.394 -10.372 -14.859 1.00 0.00 C ATOM 0 H VAL A 261 0.728 -10.934 -12.034 1.00 0.00 H new ATOM 0 HA VAL A 261 0.586 -12.776 -14.235 1.00 0.00 H new ATOM 0 HB VAL A 261 2.606 -10.832 -13.165 1.00 0.00 H new ATOM 0 HG11 VAL A 261 3.946 -11.261 -15.197 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.862 -12.691 -14.140 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.868 -12.615 -15.613 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.088 -9.634 -15.260 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.906 -10.895 -15.681 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.642 -9.870 -14.251 1.00 0.00 H new ATOM 412 N GLU A 262 2.190 -13.627 -11.562 1.00 0.00 N ATOM 413 CA GLU A 262 2.892 -14.716 -10.906 1.00 0.00 C ATOM 414 C GLU A 262 1.966 -15.924 -10.744 1.00 0.00 C ATOM 415 O GLU A 262 2.401 -17.066 -10.870 1.00 0.00 O ATOM 416 CB GLU A 262 3.453 -14.272 -9.554 1.00 0.00 C ATOM 417 CG GLU A 262 4.669 -13.360 -9.738 1.00 0.00 C ATOM 418 CD GLU A 262 5.248 -12.938 -8.387 1.00 0.00 C ATOM 419 OE1 GLU A 262 4.439 -12.274 -7.631 1.00 0.00 O ATOM 420 OE2 GLU A 262 6.414 -13.237 -8.091 1.00 0.00 O ATOM 0 H GLU A 262 1.908 -12.867 -10.943 1.00 0.00 H new ATOM 0 HA GLU A 262 3.734 -15.009 -11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.682 -13.747 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.735 -15.147 -8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.432 -13.878 -10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.382 -12.476 -10.307 1.00 0.00 H new ATOM 428 N LEU A 263 0.704 -15.628 -10.468 1.00 0.00 N ATOM 429 CA LEU A 263 -0.248 -16.667 -10.114 1.00 0.00 C ATOM 430 C LEU A 263 -0.877 -17.232 -11.389 1.00 0.00 C ATOM 431 O LEU A 263 -1.258 -18.401 -11.432 1.00 0.00 O ATOM 432 CB LEU A 263 -1.270 -16.137 -9.107 1.00 0.00 C ATOM 433 CG LEU A 263 -2.213 -17.177 -8.497 1.00 0.00 C ATOM 434 CD1 LEU A 263 -1.493 -18.015 -7.439 1.00 0.00 C ATOM 435 CD2 LEU A 263 -3.475 -16.514 -7.942 1.00 0.00 C ATOM 0 H LEU A 263 0.319 -14.684 -10.482 1.00 0.00 H new ATOM 0 HA LEU A 263 0.258 -17.493 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -0.731 -15.645 -8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -1.873 -15.373 -9.599 1.00 0.00 H new ATOM 0 HG LEU A 263 -2.529 -17.858 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -2.185 -18.746 -7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -0.650 -18.533 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -1.130 -17.364 -6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -4.128 -17.275 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -3.199 -15.797 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -3.998 -15.997 -8.746 1.00 0.00 H new ATOM 447 N ILE A 264 -0.966 -16.377 -12.396 1.00 0.00 N ATOM 448 CA ILE A 264 -1.689 -16.720 -13.609 1.00 0.00 C ATOM 449 C ILE A 264 -1.146 -18.038 -14.166 1.00 0.00 C ATOM 450 O ILE A 264 -1.910 -18.963 -14.437 1.00 0.00 O ATOM 451 CB ILE A 264 -1.639 -15.563 -14.609 1.00 0.00 C ATOM 452 CG1 ILE A 264 -2.777 -14.571 -14.357 1.00 0.00 C ATOM 453 CG2 ILE A 264 -1.640 -16.082 -16.048 1.00 0.00 C ATOM 454 CD1 ILE A 264 -4.075 -15.048 -15.012 1.00 0.00 C ATOM 0 H ILE A 264 -0.549 -15.446 -12.397 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.745 -16.876 -13.391 1.00 0.00 H new ATOM 0 HB ILE A 264 -0.703 -15.024 -14.461 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -2.929 -14.452 -13.284 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.505 -13.592 -14.751 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -1.604 -15.240 -16.739 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -0.769 -16.718 -16.206 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -2.548 -16.659 -16.226 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -4.868 -14.325 -14.818 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -3.926 -15.143 -16.088 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -4.357 -16.016 -14.598 1.00 0.00 H new ATOM 466 N PRO A 265 0.204 -18.081 -14.323 1.00 0.00 N ATOM 467 CA PRO A 265 0.851 -19.241 -14.913 1.00 0.00 C ATOM 468 C PRO A 265 0.893 -20.408 -13.925 1.00 0.00 C ATOM 469 O PRO A 265 1.523 -21.431 -14.193 1.00 0.00 O ATOM 470 CB PRO A 265 2.233 -18.756 -15.319 1.00 0.00 C ATOM 471 CG PRO A 265 2.478 -17.482 -14.527 1.00 0.00 C ATOM 472 CD PRO A 265 1.147 -17.034 -13.944 1.00 0.00 C ATOM 0 HA PRO A 265 0.311 -19.631 -15.776 1.00 0.00 H new ATOM 0 HB2 PRO A 265 2.991 -19.506 -15.096 1.00 0.00 H new ATOM 0 HB3 PRO A 265 2.280 -18.564 -16.391 1.00 0.00 H new ATOM 0 HG2 PRO A 265 3.203 -17.660 -13.732 1.00 0.00 H new ATOM 0 HG3 PRO A 265 2.894 -16.706 -15.170 1.00 0.00 H new ATOM 0 HD2 PRO A 265 1.205 -16.927 -12.861 1.00 0.00 H new ATOM 0 HD3 PRO A 265 0.845 -16.066 -14.344 1.00 0.00 H new ATOM 480 N SER A 266 0.215 -20.217 -12.804 1.00 0.00 N ATOM 481 CA SER A 266 0.153 -21.248 -11.782 1.00 0.00 C ATOM 482 C SER A 266 -1.223 -21.917 -11.796 1.00 0.00 C ATOM 483 O SER A 266 -1.335 -23.119 -11.555 1.00 0.00 O ATOM 484 CB SER A 266 0.446 -20.668 -10.396 1.00 0.00 C ATOM 485 OG SER A 266 -0.749 -20.408 -9.663 1.00 0.00 O ATOM 0 H SER A 266 -0.297 -19.363 -12.580 1.00 0.00 H new ATOM 0 HA SER A 266 0.916 -21.995 -12.003 1.00 0.00 H new ATOM 0 HB2 SER A 266 1.071 -21.364 -9.836 1.00 0.00 H new ATOM 0 HB3 SER A 266 1.015 -19.744 -10.502 1.00 0.00 H new ATOM 0 HG SER A 266 -1.229 -19.659 -10.074 1.00 0.00 H new ATOM 491 N THR A 267 -2.235 -21.111 -12.082 1.00 0.00 N ATOM 492 CA THR A 267 -3.587 -21.628 -12.219 1.00 0.00 C ATOM 493 C THR A 267 -3.763 -22.309 -13.578 1.00 0.00 C ATOM 494 O THR A 267 -4.316 -21.719 -14.505 1.00 0.00 O ATOM 495 CB THR A 267 -4.559 -20.470 -11.989 1.00 0.00 C ATOM 496 OG1 THR A 267 -3.925 -19.355 -12.609 1.00 0.00 O ATOM 497 CG2 THR A 267 -4.657 -20.071 -10.515 1.00 0.00 C ATOM 0 H THR A 267 -2.146 -20.105 -12.223 1.00 0.00 H new ATOM 0 HA THR A 267 -3.794 -22.399 -11.476 1.00 0.00 H new ATOM 0 HB THR A 267 -5.547 -20.748 -12.356 1.00 0.00 H new ATOM 0 HG1 THR A 267 -3.603 -19.614 -13.497 1.00 0.00 H new ATOM 0 HG21 THR A 267 -5.360 -19.245 -10.408 1.00 0.00 H new ATOM 0 HG22 THR A 267 -5.005 -20.922 -9.930 1.00 0.00 H new ATOM 0 HG23 THR A 267 -3.676 -19.761 -10.156 1.00 0.00 H new HETATM 505 N NH2 A 268 -3.281 -23.541 -13.653 1.00 0.00 N TER 508 NH2 A 268