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 150:sc= 0 USER MOD Single : A 322 ASN : amide:sc= -0.165 K(o=-0.16,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 308 -1.842 3.528 18.921 1.00 0.00 N ATOM 2 CA LYS A 308 -0.644 3.482 18.029 1.00 0.00 C ATOM 3 C LYS A 308 -0.288 2.025 17.694 1.00 0.00 C ATOM 4 O LYS A 308 0.346 1.338 18.474 1.00 0.00 O ATOM 5 CB LYS A 308 0.482 4.146 18.833 1.00 0.00 C ATOM 6 CG LYS A 308 1.718 4.323 17.944 1.00 0.00 C ATOM 7 CD LYS A 308 2.931 4.670 18.812 1.00 0.00 C ATOM 8 CE LYS A 308 4.169 4.845 17.921 1.00 0.00 C ATOM 9 NZ LYS A 308 5.119 3.774 18.348 1.00 0.00 N ATOM 0 HA LYS A 308 -0.816 3.991 17.081 1.00 0.00 H new ATOM 0 HB2 LYS A 308 0.151 5.114 19.209 1.00 0.00 H new ATOM 0 HB3 LYS A 308 0.731 3.535 19.701 1.00 0.00 H new ATOM 0 HG2 LYS A 308 1.909 3.408 17.384 1.00 0.00 H new ATOM 0 HG3 LYS A 308 1.543 5.113 17.214 1.00 0.00 H new ATOM 0 HD2 LYS A 308 2.741 5.586 19.371 1.00 0.00 H new ATOM 0 HD3 LYS A 308 3.105 3.881 19.543 1.00 0.00 H new ATOM 0 HE2 LYS A 308 3.912 4.745 16.867 1.00 0.00 H new ATOM 0 HE3 LYS A 308 4.609 5.834 18.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 5.988 3.834 17.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 5.353 3.898 19.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 4.678 2.843 18.208 1.00 0.00 H new ATOM 22 N PHE A 309 -0.690 1.553 16.539 1.00 0.00 N ATOM 23 CA PHE A 309 -0.377 0.144 16.150 1.00 0.00 C ATOM 24 C PHE A 309 0.054 0.079 14.677 1.00 0.00 C ATOM 25 O PHE A 309 -0.726 0.383 13.794 1.00 0.00 O ATOM 26 CB PHE A 309 -1.680 -0.630 16.368 1.00 0.00 C ATOM 27 CG PHE A 309 -1.490 -1.633 17.480 1.00 0.00 C ATOM 28 CD1 PHE A 309 -0.959 -2.898 17.200 1.00 0.00 C ATOM 29 CD2 PHE A 309 -1.842 -1.298 18.794 1.00 0.00 C ATOM 30 CE1 PHE A 309 -0.781 -3.827 18.231 1.00 0.00 C ATOM 31 CE2 PHE A 309 -1.663 -2.227 19.825 1.00 0.00 C ATOM 32 CZ PHE A 309 -1.133 -3.492 19.543 1.00 0.00 C ATOM 0 H PHE A 309 -1.222 2.084 15.849 1.00 0.00 H new ATOM 0 HA PHE A 309 0.443 -0.271 16.735 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -2.487 0.059 16.619 1.00 0.00 H new ATOM 0 HB3 PHE A 309 -1.970 -1.140 15.450 1.00 0.00 H new ATOM 0 HD1 PHE A 309 -0.687 -3.157 16.187 1.00 0.00 H new ATOM 0 HD2 PHE A 309 -2.252 -0.323 19.011 1.00 0.00 H new ATOM 0 HE1 PHE A 309 -0.372 -4.803 18.014 1.00 0.00 H new ATOM 0 HE2 PHE A 309 -1.934 -1.968 20.838 1.00 0.00 H new ATOM 0 HZ PHE A 309 -0.996 -4.209 20.339 1.00 0.00 H new ATOM 42 N PRO A 310 1.289 -0.313 14.461 1.00 0.00 N ATOM 43 CA PRO A 310 1.827 -0.417 13.079 1.00 0.00 C ATOM 44 C PRO A 310 1.247 -1.646 12.363 1.00 0.00 C ATOM 45 O PRO A 310 0.927 -2.643 12.986 1.00 0.00 O ATOM 46 CB PRO A 310 3.331 -0.571 13.290 1.00 0.00 C ATOM 47 CG PRO A 310 3.476 -1.152 14.661 1.00 0.00 C ATOM 48 CD PRO A 310 2.290 -0.691 15.470 1.00 0.00 C ATOM 0 HA PRO A 310 1.573 0.442 12.457 1.00 0.00 H new ATOM 0 HB2 PRO A 310 3.770 -1.225 12.536 1.00 0.00 H new ATOM 0 HB3 PRO A 310 3.840 0.390 13.213 1.00 0.00 H new ATOM 0 HG2 PRO A 310 3.511 -2.241 14.616 1.00 0.00 H new ATOM 0 HG3 PRO A 310 4.407 -0.822 15.122 1.00 0.00 H new ATOM 0 HD2 PRO A 310 1.920 -1.483 16.121 1.00 0.00 H new ATOM 0 HD3 PRO A 310 2.548 0.153 16.110 1.00 0.00 H new ATOM 56 N ARG A 311 1.115 -1.583 11.061 1.00 0.00 N ATOM 57 CA ARG A 311 0.560 -2.746 10.300 1.00 0.00 C ATOM 58 C ARG A 311 1.307 -2.922 8.969 1.00 0.00 C ATOM 59 O ARG A 311 1.975 -2.020 8.497 1.00 0.00 O ATOM 60 CB ARG A 311 -0.921 -2.412 10.063 1.00 0.00 C ATOM 61 CG ARG A 311 -1.054 -1.161 9.183 1.00 0.00 C ATOM 62 CD ARG A 311 -1.850 -1.503 7.919 1.00 0.00 C ATOM 63 NE ARG A 311 -3.277 -1.227 8.266 1.00 0.00 N ATOM 64 CZ ARG A 311 -4.144 -2.206 8.318 1.00 0.00 C ATOM 65 NH1 ARG A 311 -4.247 -3.043 7.316 1.00 0.00 N ATOM 66 NH2 ARG A 311 -4.910 -2.346 9.369 1.00 0.00 N ATOM 0 H ARG A 311 1.368 -0.776 10.491 1.00 0.00 H new ATOM 0 HA ARG A 311 0.674 -3.683 10.845 1.00 0.00 H new ATOM 0 HB2 ARG A 311 -1.418 -3.256 9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 311 -1.420 -2.247 11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 311 -1.555 -0.367 9.736 1.00 0.00 H new ATOM 0 HG3 ARG A 311 -0.066 -0.788 8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 311 -1.526 -0.896 7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 311 -1.709 -2.546 7.635 1.00 0.00 H new ATOM 0 HE ARG A 311 -3.576 -0.272 8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 311 -3.652 -2.932 6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 311 -4.923 -3.806 7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 311 -4.832 -1.692 10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 311 -5.586 -3.109 9.410 1.00 0.00 H new ATOM 80 N ALA A 312 1.202 -4.083 8.367 1.00 0.00 N ATOM 81 CA ALA A 312 1.908 -4.330 7.068 1.00 0.00 C ATOM 82 C ALA A 312 1.337 -3.431 5.964 1.00 0.00 C ATOM 83 O ALA A 312 0.137 -3.352 5.777 1.00 0.00 O ATOM 84 CB ALA A 312 1.650 -5.803 6.746 1.00 0.00 C ATOM 0 H ALA A 312 0.658 -4.871 8.719 1.00 0.00 H new ATOM 0 HA ALA A 312 2.973 -4.107 7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 312 2.137 -6.061 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 312 2.052 -6.426 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 312 0.577 -5.974 6.658 1.00 0.00 H new ATOM 90 N MET A 313 2.189 -2.754 5.234 1.00 0.00 N ATOM 91 CA MET A 313 1.700 -1.857 4.143 1.00 0.00 C ATOM 92 C MET A 313 2.577 -2.005 2.890 1.00 0.00 C ATOM 93 O MET A 313 3.724 -2.407 2.980 1.00 0.00 O ATOM 94 CB MET A 313 1.815 -0.439 4.712 1.00 0.00 C ATOM 95 CG MET A 313 0.463 -0.004 5.285 1.00 0.00 C ATOM 96 SD MET A 313 0.727 0.911 6.825 1.00 0.00 S ATOM 97 CE MET A 313 0.813 2.566 6.099 1.00 0.00 C ATOM 0 H MET A 313 3.202 -2.784 5.347 1.00 0.00 H new ATOM 0 HA MET A 313 0.680 -2.097 3.843 1.00 0.00 H new ATOM 0 HB2 MET A 313 2.578 -0.409 5.490 1.00 0.00 H new ATOM 0 HB3 MET A 313 2.130 0.253 3.931 1.00 0.00 H new ATOM 0 HG2 MET A 313 -0.066 0.620 4.565 1.00 0.00 H new ATOM 0 HG3 MET A 313 -0.163 -0.877 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 313 0.975 3.301 6.887 1.00 0.00 H new ATOM 0 HE2 MET A 313 1.638 2.609 5.388 1.00 0.00 H new ATOM 0 HE3 MET A 313 -0.122 2.786 5.584 1.00 0.00 H new ATOM 107 N PRO A 314 2.004 -1.667 1.757 1.00 0.00 N ATOM 108 CA PRO A 314 2.739 -1.756 0.470 1.00 0.00 C ATOM 109 C PRO A 314 3.717 -0.581 0.310 1.00 0.00 C ATOM 110 O PRO A 314 3.918 0.206 1.219 1.00 0.00 O ATOM 111 CB PRO A 314 1.634 -1.687 -0.579 1.00 0.00 C ATOM 112 CG PRO A 314 0.499 -0.972 0.084 1.00 0.00 C ATOM 113 CD PRO A 314 0.629 -1.181 1.571 1.00 0.00 C ATOM 0 HA PRO A 314 3.345 -2.659 0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 314 1.969 -1.152 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.335 -2.685 -0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 314 0.525 0.091 -0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -0.456 -1.357 -0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 314 0.459 -0.254 2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -0.100 -1.905 1.935 1.00 0.00 H new ATOM 121 N ILE A 315 4.326 -0.465 -0.843 1.00 0.00 N ATOM 122 CA ILE A 315 5.298 0.650 -1.085 1.00 0.00 C ATOM 123 C ILE A 315 4.648 1.745 -1.936 1.00 0.00 C ATOM 124 O ILE A 315 4.741 2.920 -1.631 1.00 0.00 O ATOM 125 CB ILE A 315 6.470 0.001 -1.836 1.00 0.00 C ATOM 126 CG1 ILE A 315 7.024 -1.179 -1.023 1.00 0.00 C ATOM 127 CG2 ILE A 315 7.582 1.030 -2.056 1.00 0.00 C ATOM 128 CD1 ILE A 315 7.301 -0.737 0.417 1.00 0.00 C ATOM 0 H ILE A 315 4.192 -1.097 -1.632 1.00 0.00 H new ATOM 0 HA ILE A 315 5.623 1.124 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 315 6.113 -0.359 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 315 6.310 -2.003 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 315 7.941 -1.549 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 315 8.410 0.563 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 315 7.196 1.863 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 315 7.933 1.398 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 315 7.693 -1.579 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 315 8.032 0.072 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 315 6.375 -0.389 0.875 1.00 0.00 H new ATOM 140 N TRP A 316 3.995 1.358 -2.998 1.00 0.00 N ATOM 141 CA TRP A 316 3.328 2.357 -3.894 1.00 0.00 C ATOM 142 C TRP A 316 2.097 2.972 -3.211 1.00 0.00 C ATOM 143 O TRP A 316 1.761 4.116 -3.446 1.00 0.00 O ATOM 144 CB TRP A 316 2.928 1.578 -5.161 1.00 0.00 C ATOM 145 CG TRP A 316 1.898 0.532 -4.842 1.00 0.00 C ATOM 146 CD1 TRP A 316 2.169 -0.741 -4.466 1.00 0.00 C ATOM 147 CD2 TRP A 316 0.445 0.647 -4.874 1.00 0.00 C ATOM 148 NE1 TRP A 316 0.976 -1.411 -4.264 1.00 0.00 N ATOM 149 CE2 TRP A 316 -0.115 -0.599 -4.503 1.00 0.00 C ATOM 150 CE3 TRP A 316 -0.432 1.701 -5.186 1.00 0.00 C ATOM 151 CZ2 TRP A 316 -1.495 -0.791 -4.443 1.00 0.00 C ATOM 152 CZ3 TRP A 316 -1.822 1.510 -5.126 1.00 0.00 C ATOM 153 CH2 TRP A 316 -2.353 0.267 -4.756 1.00 0.00 C ATOM 0 H TRP A 316 3.892 0.386 -3.289 1.00 0.00 H new ATOM 0 HA TRP A 316 3.991 3.189 -4.131 1.00 0.00 H new ATOM 0 HB2 TRP A 316 2.534 2.267 -5.908 1.00 0.00 H new ATOM 0 HB3 TRP A 316 3.809 1.106 -5.596 1.00 0.00 H new ATOM 0 HD1 TRP A 316 3.155 -1.164 -4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 316 0.910 -2.387 -3.974 1.00 0.00 H new ATOM 0 HE3 TRP A 316 -0.034 2.663 -5.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 316 -1.898 -1.751 -4.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 316 -2.486 2.327 -5.367 1.00 0.00 H new ATOM 0 HH2 TRP A 316 -3.423 0.127 -4.713 1.00 0.00 H new ATOM 164 N ALA A 317 1.435 2.228 -2.362 1.00 0.00 N ATOM 165 CA ALA A 317 0.237 2.776 -1.656 1.00 0.00 C ATOM 166 C ALA A 317 0.622 3.166 -0.226 1.00 0.00 C ATOM 167 O ALA A 317 0.269 2.501 0.732 1.00 0.00 O ATOM 168 CB ALA A 317 -0.788 1.637 -1.658 1.00 0.00 C ATOM 0 H ALA A 317 1.672 1.264 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 317 -0.164 3.669 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -1.698 1.965 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.022 1.360 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.375 0.775 -1.134 1.00 0.00 H new ATOM 174 N ARG A 318 1.358 4.239 -0.079 1.00 0.00 N ATOM 175 CA ARG A 318 1.786 4.679 1.279 1.00 0.00 C ATOM 176 C ARG A 318 1.509 6.175 1.475 1.00 0.00 C ATOM 177 O ARG A 318 1.805 6.975 0.609 1.00 0.00 O ATOM 178 CB ARG A 318 3.288 4.406 1.318 1.00 0.00 C ATOM 179 CG ARG A 318 3.550 3.052 1.980 1.00 0.00 C ATOM 180 CD ARG A 318 4.188 3.271 3.353 1.00 0.00 C ATOM 181 NE ARG A 318 5.566 3.774 3.068 1.00 0.00 N ATOM 182 CZ ARG A 318 6.409 3.950 4.048 1.00 0.00 C ATOM 183 NH1 ARG A 318 6.418 5.077 4.710 1.00 0.00 N ATOM 184 NH2 ARG A 318 7.243 2.994 4.363 1.00 0.00 N ATOM 0 H ARG A 318 1.681 4.830 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 318 1.248 4.156 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 318 3.695 4.412 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 318 3.797 5.196 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 318 2.616 2.500 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 318 4.208 2.450 1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 318 3.619 3.991 3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 318 4.218 2.344 3.926 1.00 0.00 H new ATOM 0 HE ARG A 318 5.847 3.979 2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 318 5.765 5.820 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 318 7.078 5.213 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 318 7.232 2.116 3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 318 7.904 3.126 5.128 1.00 0.00 H new ATOM 198 N PRO A 319 0.961 6.505 2.621 1.00 0.00 N ATOM 199 CA PRO A 319 0.658 7.925 2.943 1.00 0.00 C ATOM 200 C PRO A 319 1.952 8.700 3.221 1.00 0.00 C ATOM 201 O PRO A 319 2.120 9.822 2.781 1.00 0.00 O ATOM 202 CB PRO A 319 -0.211 7.833 4.194 1.00 0.00 C ATOM 203 CG PRO A 319 0.150 6.526 4.825 1.00 0.00 C ATOM 204 CD PRO A 319 0.573 5.600 3.714 1.00 0.00 C ATOM 0 HA PRO A 319 0.162 8.454 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -0.016 8.665 4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -1.271 7.869 3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 319 0.957 6.656 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -0.700 6.113 5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 319 1.404 4.965 4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -0.240 4.939 3.415 1.00 0.00 H new ATOM 212 N ASP A 320 2.867 8.101 3.939 1.00 0.00 N ATOM 213 CA ASP A 320 4.163 8.781 4.248 1.00 0.00 C ATOM 214 C ASP A 320 5.301 8.106 3.468 1.00 0.00 C ATOM 215 O ASP A 320 6.399 7.942 3.968 1.00 0.00 O ATOM 216 CB ASP A 320 4.359 8.600 5.759 1.00 0.00 C ATOM 217 CG ASP A 320 3.265 9.356 6.519 1.00 0.00 C ATOM 218 OD1 ASP A 320 3.454 10.534 6.775 1.00 0.00 O ATOM 219 OD2 ASP A 320 2.258 8.742 6.833 1.00 0.00 O ATOM 0 H ASP A 320 2.772 7.163 4.328 1.00 0.00 H new ATOM 0 HA ASP A 320 4.161 9.834 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 320 4.327 7.541 6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 320 5.341 8.969 6.054 1.00 0.00 H new ATOM 224 N TYR A 321 5.037 7.701 2.248 1.00 0.00 N ATOM 225 CA TYR A 321 6.083 7.023 1.426 1.00 0.00 C ATOM 226 C TYR A 321 7.261 7.962 1.157 1.00 0.00 C ATOM 227 O TYR A 321 7.085 9.100 0.768 1.00 0.00 O ATOM 228 CB TYR A 321 5.384 6.661 0.110 1.00 0.00 C ATOM 229 CG TYR A 321 6.339 5.906 -0.792 1.00 0.00 C ATOM 230 CD1 TYR A 321 7.179 4.919 -0.262 1.00 0.00 C ATOM 231 CD2 TYR A 321 6.382 6.200 -2.160 1.00 0.00 C ATOM 232 CE1 TYR A 321 8.059 4.226 -1.100 1.00 0.00 C ATOM 233 CE2 TYR A 321 7.262 5.507 -2.997 1.00 0.00 C ATOM 234 CZ TYR A 321 8.101 4.520 -2.467 1.00 0.00 C ATOM 235 OH TYR A 321 8.969 3.837 -3.292 1.00 0.00 O ATOM 0 H TYR A 321 4.135 7.813 1.786 1.00 0.00 H new ATOM 0 HA TYR A 321 6.489 6.149 1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 321 4.503 6.052 0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 321 5.038 7.566 -0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 321 7.147 4.693 0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 321 5.735 6.962 -2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 321 8.706 3.464 -0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 321 7.294 5.733 -4.053 1.00 0.00 H new ATOM 0 HH TYR A 321 8.587 3.778 -4.192 1.00 0.00 H new ATOM 245 N ASN A 322 8.458 7.478 1.351 1.00 0.00 N ATOM 246 CA ASN A 322 9.664 8.324 1.095 1.00 0.00 C ATOM 247 C ASN A 322 9.910 8.426 -0.419 1.00 0.00 C ATOM 248 O ASN A 322 9.458 7.582 -1.170 1.00 0.00 O ATOM 249 CB ASN A 322 10.828 7.603 1.798 1.00 0.00 C ATOM 250 CG ASN A 322 11.202 6.323 1.038 1.00 0.00 C ATOM 251 OD1 ASN A 322 11.927 6.371 0.065 1.00 0.00 O ATOM 252 ND2 ASN A 322 10.737 5.172 1.444 1.00 0.00 N ATOM 0 H ASN A 322 8.655 6.532 1.676 1.00 0.00 H new ATOM 0 HA ASN A 322 9.549 9.341 1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 322 11.692 8.265 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 322 10.546 7.356 2.822 1.00 0.00 H new ATOM 0 HD21 ASN A 322 10.983 4.318 0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 322 10.128 5.128 2.261 1.00 0.00 H new ATOM 259 N PRO A 323 10.613 9.459 -0.817 1.00 0.00 N ATOM 260 CA PRO A 323 10.913 9.667 -2.259 1.00 0.00 C ATOM 261 C PRO A 323 11.967 8.657 -2.744 1.00 0.00 C ATOM 262 O PRO A 323 13.110 8.714 -2.331 1.00 0.00 O ATOM 263 CB PRO A 323 11.456 11.093 -2.310 1.00 0.00 C ATOM 264 CG PRO A 323 11.995 11.353 -0.939 1.00 0.00 C ATOM 265 CD PRO A 323 11.189 10.519 0.023 1.00 0.00 C ATOM 0 HA PRO A 323 10.044 9.525 -2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 323 12.236 11.191 -3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 323 10.672 11.805 -2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 323 13.051 11.090 -0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 323 11.917 12.411 -0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 323 11.815 10.105 0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 323 10.412 11.110 0.508 1.00 0.00 H new ATOM 273 N PRO A 324 11.545 7.761 -3.609 1.00 0.00 N ATOM 274 CA PRO A 324 12.470 6.731 -4.150 1.00 0.00 C ATOM 275 C PRO A 324 13.405 7.337 -5.205 1.00 0.00 C ATOM 276 O PRO A 324 13.396 8.529 -5.452 1.00 0.00 O ATOM 277 CB PRO A 324 11.535 5.708 -4.787 1.00 0.00 C ATOM 278 CG PRO A 324 10.287 6.465 -5.119 1.00 0.00 C ATOM 279 CD PRO A 324 10.187 7.620 -4.154 1.00 0.00 C ATOM 0 HA PRO A 324 13.116 6.300 -3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 324 11.980 5.272 -5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 324 11.326 4.886 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 324 10.320 6.826 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 324 9.413 5.819 -5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 324 9.864 8.531 -4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 324 9.462 7.417 -3.366 1.00 0.00 H new ATOM 287 N LEU A 325 14.206 6.513 -5.835 1.00 0.00 N ATOM 288 CA LEU A 325 15.143 7.020 -6.886 1.00 0.00 C ATOM 289 C LEU A 325 14.650 6.610 -8.284 1.00 0.00 C ATOM 290 O LEU A 325 15.434 6.407 -9.193 1.00 0.00 O ATOM 291 CB LEU A 325 16.502 6.377 -6.564 1.00 0.00 C ATOM 292 CG LEU A 325 16.421 4.850 -6.712 1.00 0.00 C ATOM 293 CD1 LEU A 325 17.535 4.365 -7.641 1.00 0.00 C ATOM 294 CD2 LEU A 325 16.587 4.195 -5.337 1.00 0.00 C ATOM 0 H LEU A 325 14.251 5.508 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 325 15.210 8.108 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 325 17.266 6.773 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 325 16.802 6.635 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 325 15.453 4.579 -7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 325 17.476 3.282 -7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 325 17.421 4.830 -8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 325 18.503 4.637 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 325 16.530 3.111 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 325 17.555 4.469 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 325 15.794 4.538 -4.672 1.00 0.00 H new ATOM 306 N LEU A 326 13.355 6.492 -8.460 1.00 0.00 N ATOM 307 CA LEU A 326 12.804 6.101 -9.793 1.00 0.00 C ATOM 308 C LEU A 326 12.205 7.330 -10.491 1.00 0.00 C ATOM 309 O LEU A 326 11.010 7.413 -10.711 1.00 0.00 O ATOM 310 CB LEU A 326 11.718 5.057 -9.487 1.00 0.00 C ATOM 311 CG LEU A 326 12.205 3.655 -9.873 1.00 0.00 C ATOM 312 CD1 LEU A 326 12.535 3.611 -11.368 1.00 0.00 C ATOM 313 CD2 LEU A 326 13.456 3.301 -9.062 1.00 0.00 C ATOM 0 H LEU A 326 12.656 6.651 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 326 13.567 5.700 -10.460 1.00 0.00 H new ATOM 0 HB2 LEU A 326 11.467 5.083 -8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 326 10.808 5.297 -10.036 1.00 0.00 H new ATOM 0 HG LEU A 326 11.417 2.933 -9.658 1.00 0.00 H new ATOM 0 HD11 LEU A 326 12.880 2.612 -11.635 1.00 0.00 H new ATOM 0 HD12 LEU A 326 11.642 3.853 -11.945 1.00 0.00 H new ATOM 0 HD13 LEU A 326 13.318 4.337 -11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 326 13.799 2.304 -9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 326 14.242 4.026 -9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 326 13.218 3.320 -7.999 1.00 0.00 H new ATOM 325 N GLU A 327 13.032 8.285 -10.838 1.00 0.00 N ATOM 326 CA GLU A 327 12.525 9.518 -11.521 1.00 0.00 C ATOM 327 C GLU A 327 13.503 9.977 -12.614 1.00 0.00 C ATOM 328 O GLU A 327 13.060 10.659 -13.524 1.00 0.00 O ATOM 329 CB GLU A 327 12.406 10.577 -10.414 1.00 0.00 C ATOM 330 CG GLU A 327 13.734 10.705 -9.653 1.00 0.00 C ATOM 331 CD GLU A 327 14.008 12.178 -9.340 1.00 0.00 C ATOM 332 OE1 GLU A 327 14.463 12.879 -10.230 1.00 0.00 O ATOM 333 OE2 GLU A 327 13.762 12.581 -8.215 1.00 0.00 O ATOM 334 OXT GLU A 327 14.675 9.640 -12.525 1.00 0.00 O ATOM 0 H GLU A 327 14.039 8.265 -10.678 1.00 0.00 H new ATOM 0 HA GLU A 327 11.570 9.343 -12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 327 12.134 11.539 -10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 327 11.608 10.303 -9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 327 13.692 10.128 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 327 14.548 10.292 -10.250 1.00 0.00 H new TER 341 GLU A 327