USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 169 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 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 321 TYR OH : rot 180:sc= 0 USER MOD Single : A 322 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 -8.302 2.138 -3.077 1.00 0.00 N ATOM 2 CA LYS A 308 -8.901 1.044 -2.251 1.00 0.00 C ATOM 3 C LYS A 308 -8.189 -0.289 -2.527 1.00 0.00 C ATOM 4 O LYS A 308 -7.455 -0.418 -3.489 1.00 0.00 O ATOM 5 CB LYS A 308 -10.379 0.971 -2.669 1.00 0.00 C ATOM 6 CG LYS A 308 -10.494 0.596 -4.153 1.00 0.00 C ATOM 7 CD LYS A 308 -11.898 0.056 -4.436 1.00 0.00 C ATOM 8 CE LYS A 308 -11.949 -0.516 -5.857 1.00 0.00 C ATOM 9 NZ LYS A 308 -13.220 -1.294 -5.919 1.00 0.00 N ATOM 0 HA LYS A 308 -8.798 1.240 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 308 -10.901 0.234 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 308 -10.862 1.932 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 308 -10.296 1.468 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 308 -9.746 -0.154 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 308 -12.155 -0.717 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 308 -12.634 0.852 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 308 -11.937 0.279 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 308 -11.087 -1.153 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 -13.323 -1.716 -6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 -13.200 -2.049 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 -14.024 -0.661 -5.733 1.00 0.00 H new ATOM 22 N PHE A 309 -8.406 -1.275 -1.685 1.00 0.00 N ATOM 23 CA PHE A 309 -7.752 -2.613 -1.873 1.00 0.00 C ATOM 24 C PHE A 309 -6.219 -2.472 -1.906 1.00 0.00 C ATOM 25 O PHE A 309 -5.615 -2.471 -2.964 1.00 0.00 O ATOM 26 CB PHE A 309 -8.287 -3.146 -3.209 1.00 0.00 C ATOM 27 CG PHE A 309 -8.275 -4.658 -3.191 1.00 0.00 C ATOM 28 CD1 PHE A 309 -9.369 -5.361 -2.672 1.00 0.00 C ATOM 29 CD2 PHE A 309 -7.170 -5.356 -3.695 1.00 0.00 C ATOM 30 CE1 PHE A 309 -9.358 -6.760 -2.656 1.00 0.00 C ATOM 31 CE2 PHE A 309 -7.160 -6.756 -3.678 1.00 0.00 C ATOM 32 CZ PHE A 309 -8.254 -7.458 -3.159 1.00 0.00 C ATOM 0 H PHE A 309 -9.014 -1.209 -0.868 1.00 0.00 H new ATOM 0 HA PHE A 309 -7.978 -3.293 -1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -9.300 -2.782 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 309 -7.674 -2.777 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 309 -10.221 -4.823 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 309 -6.326 -4.815 -4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 309 -10.202 -7.302 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 309 -6.308 -7.294 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 309 -8.246 -8.538 -3.147 1.00 0.00 H new ATOM 42 N PRO A 310 -5.638 -2.356 -0.733 1.00 0.00 N ATOM 43 CA PRO A 310 -4.162 -2.214 -0.621 1.00 0.00 C ATOM 44 C PRO A 310 -3.468 -3.566 -0.864 1.00 0.00 C ATOM 45 O PRO A 310 -4.077 -4.510 -1.334 1.00 0.00 O ATOM 46 CB PRO A 310 -3.960 -1.748 0.821 1.00 0.00 C ATOM 47 CG PRO A 310 -5.160 -2.239 1.568 1.00 0.00 C ATOM 48 CD PRO A 310 -6.295 -2.342 0.582 1.00 0.00 C ATOM 0 HA PRO A 310 -3.740 -1.525 -1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -3.041 -2.157 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -3.880 -0.662 0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -4.958 -3.209 2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -5.415 -1.554 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -6.880 -3.247 0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -6.980 -1.499 0.675 1.00 0.00 H new ATOM 56 N ARG A 311 -2.199 -3.662 -0.548 1.00 0.00 N ATOM 57 CA ARG A 311 -1.464 -4.949 -0.755 1.00 0.00 C ATOM 58 C ARG A 311 -0.622 -5.277 0.489 1.00 0.00 C ATOM 59 O ARG A 311 0.584 -5.423 0.417 1.00 0.00 O ATOM 60 CB ARG A 311 -0.573 -4.711 -1.984 1.00 0.00 C ATOM 61 CG ARG A 311 -0.990 -5.663 -3.110 1.00 0.00 C ATOM 62 CD ARG A 311 -0.686 -5.021 -4.470 1.00 0.00 C ATOM 63 NE ARG A 311 -1.960 -5.111 -5.240 1.00 0.00 N ATOM 64 CZ ARG A 311 -2.768 -4.085 -5.289 1.00 0.00 C ATOM 65 NH1 ARG A 311 -3.647 -3.903 -4.339 1.00 0.00 N ATOM 66 NH2 ARG A 311 -2.693 -3.245 -6.289 1.00 0.00 N ATOM 0 H ARG A 311 -1.640 -2.904 -0.155 1.00 0.00 H new ATOM 0 HA ARG A 311 -2.135 -5.794 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 311 -0.662 -3.677 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 311 0.473 -4.873 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 311 -0.456 -6.609 -3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 311 -2.054 -5.889 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 311 -0.369 -3.985 -4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 311 0.121 -5.546 -4.981 1.00 0.00 H new ATOM 0 HE ARG A 311 -2.201 -5.973 -5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 311 -3.701 -4.561 -3.562 1.00 0.00 H new ATOM 0 HH12 ARG A 311 -4.279 -3.103 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 311 -2.005 -3.392 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 311 -3.322 -2.443 -6.330 1.00 0.00 H new ATOM 80 N ALA A 312 -1.264 -5.391 1.632 1.00 0.00 N ATOM 81 CA ALA A 312 -0.534 -5.708 2.903 1.00 0.00 C ATOM 82 C ALA A 312 0.579 -4.680 3.160 1.00 0.00 C ATOM 83 O ALA A 312 1.751 -5.007 3.166 1.00 0.00 O ATOM 84 CB ALA A 312 0.050 -7.111 2.697 1.00 0.00 C ATOM 0 H ALA A 312 -2.272 -5.277 1.737 1.00 0.00 H new ATOM 0 HA ALA A 312 -1.193 -5.671 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 312 0.600 -7.411 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -0.759 -7.819 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 312 0.725 -7.102 1.841 1.00 0.00 H new ATOM 90 N MET A 313 0.208 -3.436 3.375 1.00 0.00 N ATOM 91 CA MET A 313 1.220 -2.357 3.638 1.00 0.00 C ATOM 92 C MET A 313 2.325 -2.366 2.564 1.00 0.00 C ATOM 93 O MET A 313 3.480 -2.615 2.863 1.00 0.00 O ATOM 94 CB MET A 313 1.799 -2.677 5.022 1.00 0.00 C ATOM 95 CG MET A 313 0.904 -2.069 6.106 1.00 0.00 C ATOM 96 SD MET A 313 1.614 -0.499 6.664 1.00 0.00 S ATOM 97 CE MET A 313 1.494 -0.812 8.443 1.00 0.00 C ATOM 0 H MET A 313 -0.762 -3.120 3.379 1.00 0.00 H new ATOM 0 HA MET A 313 0.772 -1.364 3.606 1.00 0.00 H new ATOM 0 HB2 MET A 313 1.869 -3.756 5.157 1.00 0.00 H new ATOM 0 HB3 MET A 313 2.810 -2.279 5.105 1.00 0.00 H new ATOM 0 HG2 MET A 313 -0.101 -1.908 5.715 1.00 0.00 H new ATOM 0 HG3 MET A 313 0.812 -2.758 6.946 1.00 0.00 H new ATOM 0 HE1 MET A 313 1.885 0.046 8.991 1.00 0.00 H new ATOM 0 HE2 MET A 313 0.451 -0.971 8.715 1.00 0.00 H new ATOM 0 HE3 MET A 313 2.074 -1.699 8.696 1.00 0.00 H new ATOM 107 N PRO A 314 1.933 -2.093 1.340 1.00 0.00 N ATOM 108 CA PRO A 314 2.901 -2.069 0.215 1.00 0.00 C ATOM 109 C PRO A 314 3.701 -0.758 0.200 1.00 0.00 C ATOM 110 O PRO A 314 3.626 0.043 1.116 1.00 0.00 O ATOM 111 CB PRO A 314 2.015 -2.173 -1.020 1.00 0.00 C ATOM 112 CG PRO A 314 0.682 -1.634 -0.604 1.00 0.00 C ATOM 113 CD PRO A 314 0.567 -1.789 0.894 1.00 0.00 C ATOM 0 HA PRO A 314 3.641 -2.867 0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 314 2.429 -1.599 -1.849 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.932 -3.206 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.589 -0.586 -0.888 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -0.121 -2.173 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 314 0.191 -0.878 1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.124 -2.590 1.158 1.00 0.00 H new ATOM 121 N ILE A 315 4.464 -0.538 -0.842 1.00 0.00 N ATOM 122 CA ILE A 315 5.275 0.716 -0.939 1.00 0.00 C ATOM 123 C ILE A 315 4.536 1.752 -1.789 1.00 0.00 C ATOM 124 O ILE A 315 4.463 2.915 -1.442 1.00 0.00 O ATOM 125 CB ILE A 315 6.594 0.313 -1.622 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.135 -0.994 -1.020 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.629 1.425 -1.430 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.323 -0.839 0.491 1.00 0.00 C ATOM 0 H ILE A 315 4.561 -1.175 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 315 5.451 1.159 0.041 1.00 0.00 H new ATOM 0 HB ILE A 315 6.405 0.160 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 315 6.444 -1.812 -1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 315 8.085 -1.253 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.563 1.140 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.258 2.348 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 315 7.804 1.579 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 315 7.707 -1.770 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 315 8.031 -0.034 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 315 6.365 -0.602 0.954 1.00 0.00 H new ATOM 140 N TRP A 316 3.992 1.328 -2.902 1.00 0.00 N ATOM 141 CA TRP A 316 3.250 2.269 -3.806 1.00 0.00 C ATOM 142 C TRP A 316 2.029 2.877 -3.101 1.00 0.00 C ATOM 143 O TRP A 316 1.607 3.971 -3.422 1.00 0.00 O ATOM 144 CB TRP A 316 2.820 1.427 -5.024 1.00 0.00 C ATOM 145 CG TRP A 316 1.871 0.338 -4.610 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.235 -0.919 -4.263 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.417 0.385 -4.504 1.00 0.00 C ATOM 148 NE1 TRP A 316 1.099 -1.644 -3.946 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.045 -0.885 -4.079 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.536 1.394 -4.729 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.403 -1.142 -3.886 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.903 1.139 -4.537 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.337 -0.127 -4.116 1.00 0.00 C ATOM 0 H TRP A 316 4.029 0.362 -3.229 1.00 0.00 H new ATOM 0 HA TRP A 316 3.878 3.110 -4.100 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.344 2.068 -5.766 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.699 0.989 -5.498 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.247 -1.295 -4.238 1.00 0.00 H new ATOM 0 HE1 TRP A 316 1.107 -2.620 -3.650 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.214 2.373 -5.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.731 -2.119 -3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.625 1.922 -4.714 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.390 -0.317 -3.970 1.00 0.00 H new ATOM 164 N ALA A 317 1.464 2.184 -2.144 1.00 0.00 N ATOM 165 CA ALA A 317 0.277 2.733 -1.420 1.00 0.00 C ATOM 166 C ALA A 317 0.718 3.324 -0.076 1.00 0.00 C ATOM 167 O ALA A 317 0.487 2.751 0.973 1.00 0.00 O ATOM 168 CB ALA A 317 -0.657 1.537 -1.212 1.00 0.00 C ATOM 0 H ALA A 317 1.773 1.263 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.217 3.532 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.554 1.863 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -0.936 1.121 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.147 0.775 -0.623 1.00 0.00 H new ATOM 174 N ARG A 318 1.357 4.467 -0.105 1.00 0.00 N ATOM 175 CA ARG A 318 1.824 5.108 1.160 1.00 0.00 C ATOM 176 C ARG A 318 1.379 6.576 1.211 1.00 0.00 C ATOM 177 O ARG A 318 1.075 7.164 0.191 1.00 0.00 O ATOM 178 CB ARG A 318 3.352 5.023 1.104 1.00 0.00 C ATOM 179 CG ARG A 318 3.805 3.586 1.384 1.00 0.00 C ATOM 180 CD ARG A 318 3.590 3.252 2.863 1.00 0.00 C ATOM 181 NE ARG A 318 4.584 4.084 3.606 1.00 0.00 N ATOM 182 CZ ARG A 318 4.815 3.849 4.868 1.00 0.00 C ATOM 183 NH1 ARG A 318 5.707 2.957 5.209 1.00 0.00 N ATOM 184 NH2 ARG A 318 4.156 4.506 5.787 1.00 0.00 N ATOM 0 H ARG A 318 1.576 4.985 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 318 1.414 4.618 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.707 5.341 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.790 5.701 1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 318 3.244 2.890 0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 318 4.857 3.470 1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 318 2.572 3.485 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 318 3.746 2.190 3.053 1.00 0.00 H new ATOM 0 HE ARG A 318 5.081 4.835 3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 318 6.220 2.447 4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 318 5.891 2.770 6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 318 3.461 5.202 5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 318 4.337 4.322 6.774 1.00 0.00 H new ATOM 198 N PRO A 319 1.376 7.124 2.403 1.00 0.00 N ATOM 199 CA PRO A 319 0.986 8.549 2.588 1.00 0.00 C ATOM 200 C PRO A 319 2.065 9.473 2.007 1.00 0.00 C ATOM 201 O PRO A 319 1.769 10.451 1.348 1.00 0.00 O ATOM 202 CB PRO A 319 0.884 8.698 4.105 1.00 0.00 C ATOM 203 CG PRO A 319 1.767 7.625 4.656 1.00 0.00 C ATOM 204 CD PRO A 319 1.727 6.483 3.676 1.00 0.00 C ATOM 0 HA PRO A 319 0.058 8.815 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 319 1.213 9.686 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -0.144 8.577 4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 319 2.786 7.990 4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 319 1.419 7.304 5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 319 2.689 5.974 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 319 0.988 5.735 3.964 1.00 0.00 H new ATOM 212 N ASP A 320 3.311 9.153 2.241 1.00 0.00 N ATOM 213 CA ASP A 320 4.431 9.984 1.702 1.00 0.00 C ATOM 214 C ASP A 320 5.253 9.151 0.709 1.00 0.00 C ATOM 215 O ASP A 320 6.469 9.209 0.690 1.00 0.00 O ATOM 216 CB ASP A 320 5.269 10.367 2.928 1.00 0.00 C ATOM 217 CG ASP A 320 5.293 11.890 3.077 1.00 0.00 C ATOM 218 OD1 ASP A 320 6.086 12.520 2.397 1.00 0.00 O ATOM 219 OD2 ASP A 320 4.517 12.400 3.869 1.00 0.00 O ATOM 0 H ASP A 320 3.604 8.343 2.788 1.00 0.00 H new ATOM 0 HA ASP A 320 4.084 10.868 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 320 4.850 9.910 3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 320 6.285 9.986 2.821 1.00 0.00 H new ATOM 224 N TYR A 321 4.583 8.362 -0.105 1.00 0.00 N ATOM 225 CA TYR A 321 5.283 7.492 -1.102 1.00 0.00 C ATOM 226 C TYR A 321 6.424 8.241 -1.803 1.00 0.00 C ATOM 227 O TYR A 321 6.244 9.319 -2.338 1.00 0.00 O ATOM 228 CB TYR A 321 4.202 7.096 -2.113 1.00 0.00 C ATOM 229 CG TYR A 321 4.790 6.178 -3.164 1.00 0.00 C ATOM 230 CD1 TYR A 321 5.664 5.147 -2.791 1.00 0.00 C ATOM 231 CD2 TYR A 321 4.459 6.358 -4.512 1.00 0.00 C ATOM 232 CE1 TYR A 321 6.204 4.301 -3.764 1.00 0.00 C ATOM 233 CE2 TYR A 321 5.000 5.511 -5.484 1.00 0.00 C ATOM 234 CZ TYR A 321 5.872 4.483 -5.110 1.00 0.00 C ATOM 235 OH TYR A 321 6.403 3.645 -6.070 1.00 0.00 O ATOM 0 H TYR A 321 3.566 8.286 -0.118 1.00 0.00 H new ATOM 0 HA TYR A 321 5.741 6.627 -0.621 1.00 0.00 H new ATOM 0 HB2 TYR A 321 3.379 6.597 -1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 321 3.790 7.988 -2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 321 5.920 5.006 -1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 321 3.786 7.151 -4.801 1.00 0.00 H new ATOM 0 HE1 TYR A 321 6.877 3.507 -3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 321 4.745 5.650 -6.524 1.00 0.00 H new ATOM 0 HH TYR A 321 6.070 3.907 -6.954 1.00 0.00 H new ATOM 245 N ASN A 322 7.593 7.658 -1.798 1.00 0.00 N ATOM 246 CA ASN A 322 8.770 8.301 -2.458 1.00 0.00 C ATOM 247 C ASN A 322 8.592 8.297 -3.985 1.00 0.00 C ATOM 248 O ASN A 322 7.828 7.511 -4.515 1.00 0.00 O ATOM 249 CB ASN A 322 9.981 7.446 -2.046 1.00 0.00 C ATOM 250 CG ASN A 322 9.896 6.057 -2.698 1.00 0.00 C ATOM 251 OD1 ASN A 322 10.287 5.885 -3.835 1.00 0.00 O ATOM 252 ND2 ASN A 322 9.404 5.053 -2.022 1.00 0.00 N ATOM 0 H ASN A 322 7.786 6.756 -1.362 1.00 0.00 H new ATOM 0 HA ASN A 322 8.892 9.342 -2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 322 10.904 7.941 -2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 322 10.012 7.345 -0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 322 9.349 4.128 -2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 322 9.075 5.194 -1.067 1.00 0.00 H new ATOM 259 N PRO A 323 9.306 9.180 -4.644 1.00 0.00 N ATOM 260 CA PRO A 323 9.224 9.276 -6.125 1.00 0.00 C ATOM 261 C PRO A 323 9.941 8.085 -6.783 1.00 0.00 C ATOM 262 O PRO A 323 11.144 7.943 -6.656 1.00 0.00 O ATOM 263 CB PRO A 323 9.942 10.587 -6.438 1.00 0.00 C ATOM 264 CG PRO A 323 10.872 10.806 -5.287 1.00 0.00 C ATOM 265 CD PRO A 323 10.243 10.162 -4.079 1.00 0.00 C ATOM 0 HA PRO A 323 8.201 9.256 -6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 323 10.488 10.523 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 323 9.235 11.410 -6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 323 11.849 10.368 -5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 323 11.030 11.871 -5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 323 10.991 9.682 -3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 323 9.727 10.895 -3.460 1.00 0.00 H new ATOM 273 N PRO A 324 9.173 7.263 -7.465 1.00 0.00 N ATOM 274 CA PRO A 324 9.744 6.072 -8.147 1.00 0.00 C ATOM 275 C PRO A 324 10.499 6.481 -9.421 1.00 0.00 C ATOM 276 O PRO A 324 10.756 7.648 -9.654 1.00 0.00 O ATOM 277 CB PRO A 324 8.516 5.232 -8.489 1.00 0.00 C ATOM 278 CG PRO A 324 7.380 6.204 -8.561 1.00 0.00 C ATOM 279 CD PRO A 324 7.720 7.364 -7.661 1.00 0.00 C ATOM 0 HA PRO A 324 10.466 5.536 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 324 8.648 4.710 -9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 324 8.336 4.472 -7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 324 7.231 6.544 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 324 6.450 5.732 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO A 324 7.446 8.315 -8.118 1.00 0.00 H new ATOM 0 HD3 PRO A 324 7.186 7.301 -6.713 1.00 0.00 H new ATOM 287 N LEU A 325 10.854 5.525 -10.246 1.00 0.00 N ATOM 288 CA LEU A 325 11.592 5.845 -11.511 1.00 0.00 C ATOM 289 C LEU A 325 10.738 6.743 -12.415 1.00 0.00 C ATOM 290 O LEU A 325 9.568 6.485 -12.634 1.00 0.00 O ATOM 291 CB LEU A 325 11.844 4.493 -12.189 1.00 0.00 C ATOM 292 CG LEU A 325 13.095 3.839 -11.592 1.00 0.00 C ATOM 293 CD1 LEU A 325 12.686 2.650 -10.721 1.00 0.00 C ATOM 294 CD2 LEU A 325 14.004 3.350 -12.724 1.00 0.00 C ATOM 0 H LEU A 325 10.664 4.534 -10.098 1.00 0.00 H new ATOM 0 HA LEU A 325 12.521 6.380 -11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 325 10.981 3.841 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 325 11.972 4.632 -13.262 1.00 0.00 H new ATOM 0 HG LEU A 325 13.629 4.569 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 325 13.577 2.186 -10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 325 12.038 2.995 -9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 325 12.151 1.920 -11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 325 14.894 2.885 -12.301 1.00 0.00 H new ATOM 0 HD22 LEU A 325 13.468 2.621 -13.332 1.00 0.00 H new ATOM 0 HD23 LEU A 325 14.298 4.196 -13.346 1.00 0.00 H new ATOM 306 N LEU A 326 11.315 7.796 -12.938 1.00 0.00 N ATOM 307 CA LEU A 326 10.543 8.717 -13.826 1.00 0.00 C ATOM 308 C LEU A 326 10.922 8.484 -15.294 1.00 0.00 C ATOM 309 O LEU A 326 12.006 8.831 -15.727 1.00 0.00 O ATOM 310 CB LEU A 326 10.938 10.130 -13.383 1.00 0.00 C ATOM 311 CG LEU A 326 10.380 10.407 -11.982 1.00 0.00 C ATOM 312 CD1 LEU A 326 11.523 10.412 -10.965 1.00 0.00 C ATOM 313 CD2 LEU A 326 9.684 11.770 -11.970 1.00 0.00 C ATOM 0 H LEU A 326 12.289 8.058 -12.788 1.00 0.00 H new ATOM 0 HA LEU A 326 9.468 8.555 -13.748 1.00 0.00 H new ATOM 0 HB2 LEU A 326 12.023 10.230 -13.379 1.00 0.00 H new ATOM 0 HB3 LEU A 326 10.553 10.864 -14.090 1.00 0.00 H new ATOM 0 HG LEU A 326 9.664 9.629 -11.719 1.00 0.00 H new ATOM 0 HD11 LEU A 326 11.124 10.609 -9.970 1.00 0.00 H new ATOM 0 HD12 LEU A 326 12.020 9.442 -10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 326 12.241 11.189 -11.228 1.00 0.00 H new ATOM 0 HD21 LEU A 326 9.287 11.967 -10.974 1.00 0.00 H new ATOM 0 HD22 LEU A 326 10.401 12.547 -12.235 1.00 0.00 H new ATOM 0 HD23 LEU A 326 8.867 11.768 -12.692 1.00 0.00 H new ATOM 325 N GLU A 327 10.034 7.899 -16.059 1.00 0.00 N ATOM 326 CA GLU A 327 10.331 7.640 -17.504 1.00 0.00 C ATOM 327 C GLU A 327 9.078 7.871 -18.366 1.00 0.00 C ATOM 328 O GLU A 327 7.984 7.836 -17.822 1.00 0.00 O ATOM 329 CB GLU A 327 10.778 6.171 -17.571 1.00 0.00 C ATOM 330 CG GLU A 327 9.663 5.250 -17.057 1.00 0.00 C ATOM 331 CD GLU A 327 9.295 4.235 -18.142 1.00 0.00 C ATOM 332 OE1 GLU A 327 9.950 3.208 -18.212 1.00 0.00 O ATOM 333 OE2 GLU A 327 8.364 4.501 -18.884 1.00 0.00 O ATOM 334 OXT GLU A 327 9.238 8.082 -19.557 1.00 0.00 O ATOM 0 H GLU A 327 9.114 7.589 -15.746 1.00 0.00 H new ATOM 0 HA GLU A 327 11.098 8.312 -17.887 1.00 0.00 H new ATOM 0 HB2 GLU A 327 11.032 5.908 -18.598 1.00 0.00 H new ATOM 0 HB3 GLU A 327 11.679 6.031 -16.974 1.00 0.00 H new ATOM 0 HG2 GLU A 327 9.992 4.732 -16.156 1.00 0.00 H new ATOM 0 HG3 GLU A 327 8.788 5.839 -16.784 1.00 0.00 H new TER 341 GLU A 327