USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 285 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 323 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 327 SER OG : rot 76:sc= 0.856 USER MOD Single : A 329 TYR OH : rot 180:sc= 0 USER MOD Single : A 335 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.23) USER MOD Single : A 336 HIS : no HE2:sc= 1.01 K(o=1,f=-3.2!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl -140:sc= -0.152 (180deg=-0.9) USER MOD Single : A 346 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N VAL A 317 1.166 6.556 -0.143 1.00 0.00 N ATOM 29 CA VAL A 317 1.401 6.140 1.235 1.00 0.00 C ATOM 30 C VAL A 317 0.231 6.521 2.132 1.00 0.00 C ATOM 31 O VAL A 317 0.052 5.953 3.211 1.00 0.00 O ATOM 32 CB VAL A 317 2.692 6.761 1.801 1.00 0.00 C ATOM 33 CG1 VAL A 317 2.482 8.235 2.112 1.00 0.00 C ATOM 34 CG2 VAL A 317 3.141 6.013 3.047 1.00 0.00 C ATOM 0 HA VAL A 317 1.507 5.055 1.221 1.00 0.00 H new ATOM 0 HB VAL A 317 3.475 6.676 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 317 3.404 8.658 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 317 2.206 8.764 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 317 1.686 8.342 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 317 4.054 6.465 3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 317 2.360 6.068 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.331 4.969 2.796 1.00 0.00 H new ATOM 44 N TRP A 318 -0.565 7.485 1.681 1.00 0.00 N ATOM 45 CA TRP A 318 -1.728 7.935 2.438 1.00 0.00 C ATOM 46 C TRP A 318 -2.739 6.810 2.613 1.00 0.00 C ATOM 47 O TRP A 318 -3.557 6.835 3.533 1.00 0.00 O ATOM 48 CB TRP A 318 -2.386 9.128 1.743 1.00 0.00 C ATOM 49 CG TRP A 318 -2.942 8.802 0.390 1.00 0.00 C ATOM 50 CD1 TRP A 318 -2.315 8.962 -0.809 1.00 0.00 C ATOM 51 CD2 TRP A 318 -4.235 8.258 0.099 1.00 0.00 C ATOM 52 NE1 TRP A 318 -3.137 8.554 -1.830 1.00 0.00 N ATOM 53 CE2 TRP A 318 -4.323 8.115 -1.297 1.00 0.00 C ATOM 54 CE3 TRP A 318 -5.329 7.877 0.887 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -5.453 7.614 -1.923 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.461 7.373 0.258 1.00 0.00 C ATOM 57 CH2 TRP A 318 -6.521 7.245 -1.107 1.00 0.00 C ATOM 0 H TRP A 318 -0.426 7.970 0.795 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.386 8.243 3.426 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.189 9.508 2.375 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.653 9.929 1.642 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -1.316 9.353 -0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -2.904 8.574 -2.823 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.293 7.973 1.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -5.504 7.514 -2.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -7.310 7.076 0.855 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -7.418 6.849 -1.560 1.00 0.00 H new ATOM 68 N GLU A 319 -2.679 5.822 1.726 1.00 0.00 N ATOM 69 CA GLU A 319 -3.534 4.646 1.830 1.00 0.00 C ATOM 70 C GLU A 319 -3.186 3.819 3.062 1.00 0.00 C ATOM 71 O GLU A 319 -4.062 3.220 3.687 1.00 0.00 O ATOM 72 CB GLU A 319 -3.417 3.786 0.570 1.00 0.00 C ATOM 73 CG GLU A 319 -4.029 4.411 -0.676 1.00 0.00 C ATOM 74 CD GLU A 319 -3.804 3.548 -1.887 1.00 0.00 C ATOM 75 OE1 GLU A 319 -3.134 2.550 -1.766 1.00 0.00 O ATOM 76 OE2 GLU A 319 -4.392 3.824 -2.906 1.00 0.00 O1- ATOM 0 H GLU A 319 -2.046 5.813 0.926 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.563 4.990 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.363 3.583 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -3.899 2.826 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -5.098 4.557 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -3.593 5.396 -0.843 1.00 0.00 H new ATOM 83 N ILE A 320 -1.903 3.790 3.405 1.00 0.00 N ATOM 84 CA ILE A 320 -1.458 3.179 4.652 1.00 0.00 C ATOM 85 C ILE A 320 -1.805 4.055 5.849 1.00 0.00 C ATOM 86 O ILE A 320 -2.234 3.558 6.890 1.00 0.00 O ATOM 87 CB ILE A 320 0.059 2.917 4.642 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.411 1.860 3.592 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.532 2.481 6.021 1.00 0.00 C ATOM 90 CD1 ILE A 320 1.894 1.731 3.329 1.00 0.00 C ATOM 0 H ILE A 320 -1.152 4.183 2.837 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.981 2.227 4.740 1.00 0.00 H new ATOM 0 HB ILE A 320 0.570 3.844 4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.024 0.895 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 320 -0.094 2.107 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.607 2.300 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.313 3.265 6.746 1.00 0.00 H new ATOM 0 HG23 ILE A 320 0.016 1.565 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 320 2.064 0.963 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 320 2.284 2.684 2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 320 2.404 1.453 4.251 1.00 0.00 H new ATOM 102 N LEU A 321 -1.616 5.361 5.694 1.00 0.00 N ATOM 103 CA LEU A 321 -1.902 6.308 6.766 1.00 0.00 C ATOM 104 C LEU A 321 -3.382 6.308 7.121 1.00 0.00 C ATOM 105 O LEU A 321 -3.760 6.621 8.250 1.00 0.00 O ATOM 106 CB LEU A 321 -1.450 7.717 6.361 1.00 0.00 C ATOM 107 CG LEU A 321 0.008 8.057 6.696 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.901 6.855 6.416 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.451 9.260 5.877 1.00 0.00 C ATOM 0 H LEU A 321 -1.266 5.788 4.836 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.346 5.997 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -1.596 7.833 5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -2.098 8.444 6.851 1.00 0.00 H new ATOM 0 HG LEU A 321 0.090 8.304 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.934 7.105 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 321 0.580 6.013 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 321 0.829 6.586 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 321 1.487 9.501 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.368 9.028 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 321 -0.184 10.114 6.113 1.00 0.00 H new ATOM 121 N ARG A 322 -4.219 5.955 6.151 1.00 0.00 N ATOM 122 CA ARG A 322 -5.661 5.905 6.363 1.00 0.00 C ATOM 123 C ARG A 322 -6.013 5.028 7.556 1.00 0.00 C ATOM 124 O ARG A 322 -6.899 5.360 8.343 1.00 0.00 O ATOM 125 CB ARG A 322 -6.410 5.470 5.111 1.00 0.00 C ATOM 126 CG ARG A 322 -7.922 5.414 5.259 1.00 0.00 C ATOM 127 CD ARG A 322 -8.644 5.038 4.016 1.00 0.00 C ATOM 128 NE ARG A 322 -10.091 4.987 4.152 1.00 0.00 N ATOM 129 CZ ARG A 322 -10.778 3.933 4.635 1.00 0.00 C ATOM 130 NH1 ARG A 322 -10.160 2.829 4.992 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -12.093 4.029 4.717 1.00 0.00 N ATOM 0 H ARG A 322 -3.923 5.699 5.209 1.00 0.00 H new ATOM 0 HA ARG A 322 -5.987 6.920 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.164 6.156 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -6.051 4.484 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -8.173 4.698 6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -8.279 6.388 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.390 5.753 3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -8.288 4.062 3.685 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.624 5.807 3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -9.146 2.761 4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -10.695 2.040 5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.561 4.885 4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -12.640 3.248 5.079 1.00 0.00 H new ATOM 145 N GLN A 323 -5.312 3.906 7.687 1.00 0.00 N ATOM 146 CA GLN A 323 -5.602 2.940 8.739 1.00 0.00 C ATOM 147 C GLN A 323 -4.489 2.907 9.778 1.00 0.00 C ATOM 148 O GLN A 323 -4.356 1.942 10.530 1.00 0.00 O ATOM 149 CB GLN A 323 -5.796 1.542 8.146 1.00 0.00 C ATOM 150 CG GLN A 323 -6.978 1.425 7.199 1.00 0.00 C ATOM 151 CD GLN A 323 -7.069 0.057 6.551 1.00 0.00 C ATOM 152 OE1 GLN A 323 -6.187 -0.788 6.728 1.00 0.00 O ATOM 153 NE2 GLN A 323 -8.136 -0.168 5.793 1.00 0.00 N ATOM 0 H GLN A 323 -4.538 3.644 7.076 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.524 3.252 9.229 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -4.889 1.256 7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -5.925 0.829 8.960 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -7.899 1.627 7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -6.895 2.186 6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -8.840 0.560 5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -8.251 -1.069 5.329 1.00 0.00 H new ATOM 162 N ALA A 324 -3.691 3.968 9.816 1.00 0.00 N ATOM 163 CA ALA A 324 -2.570 4.052 10.746 1.00 0.00 C ATOM 164 C ALA A 324 -2.819 5.105 11.817 1.00 0.00 C ATOM 165 O ALA A 324 -3.504 6.099 11.575 1.00 0.00 O ATOM 166 CB ALA A 324 -1.280 4.349 9.995 1.00 0.00 C ATOM 0 H ALA A 324 -3.799 4.783 9.213 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.472 3.087 11.243 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.453 4.409 10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -1.086 3.553 9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -1.376 5.298 9.468 1.00 0.00 H new ATOM 172 N PRO A 325 -2.261 4.882 13.001 1.00 0.00 N ATOM 173 CA PRO A 325 -2.324 5.864 14.076 1.00 0.00 C ATOM 174 C PRO A 325 -1.713 7.192 13.645 1.00 0.00 C ATOM 175 O PRO A 325 -0.863 7.236 12.756 1.00 0.00 O ATOM 176 CB PRO A 325 -1.541 5.216 15.223 1.00 0.00 C ATOM 177 CG PRO A 325 -1.559 3.760 14.907 1.00 0.00 C ATOM 178 CD PRO A 325 -1.506 3.676 13.404 1.00 0.00 C ATOM 0 HA PRO A 325 -3.346 6.105 14.367 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -0.522 5.599 15.275 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -2.007 5.419 16.187 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -0.709 3.249 15.359 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -2.460 3.285 15.296 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.482 3.692 13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.967 2.762 13.030 1.00 0.00 H new ATOM 186 N PRO A 326 -2.153 8.274 14.280 1.00 0.00 N ATOM 187 CA PRO A 326 -1.701 9.612 13.919 1.00 0.00 C ATOM 188 C PRO A 326 -0.226 9.802 14.246 1.00 0.00 C ATOM 189 O PRO A 326 0.438 10.672 13.683 1.00 0.00 O ATOM 190 CB PRO A 326 -2.599 10.544 14.737 1.00 0.00 C ATOM 191 CG PRO A 326 -3.070 9.703 15.873 1.00 0.00 C ATOM 192 CD PRO A 326 -3.213 8.315 15.309 1.00 0.00 C ATOM 0 HA PRO A 326 -1.778 9.810 12.850 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -2.049 11.417 15.090 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -3.435 10.913 14.143 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -2.357 9.721 16.697 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.019 10.068 16.265 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.067 7.550 16.072 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.201 8.152 14.879 1.00 0.00 H new ATOM 200 N SER A 327 0.283 8.983 15.161 1.00 0.00 N ATOM 201 CA SER A 327 1.683 9.055 15.560 1.00 0.00 C ATOM 202 C SER A 327 2.588 8.411 14.518 1.00 0.00 C ATOM 203 O SER A 327 3.800 8.625 14.518 1.00 0.00 O ATOM 204 CB SER A 327 1.875 8.393 16.911 1.00 0.00 C ATOM 205 OG SER A 327 1.644 7.012 16.856 1.00 0.00 O ATOM 0 H SER A 327 -0.255 8.261 15.640 1.00 0.00 H new ATOM 0 HA SER A 327 1.960 10.106 15.638 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.890 8.577 17.264 1.00 0.00 H new ATOM 0 HB3 SER A 327 1.198 8.845 17.636 1.00 0.00 H new ATOM 0 HG SER A 327 2.406 6.570 16.427 1.00 0.00 H new ATOM 211 N GLU A 328 1.992 7.620 13.633 1.00 0.00 N ATOM 212 CA GLU A 328 2.755 6.836 12.669 1.00 0.00 C ATOM 213 C GLU A 328 2.778 7.512 11.305 1.00 0.00 C ATOM 214 O GLU A 328 3.419 7.028 10.372 1.00 0.00 O ATOM 215 CB GLU A 328 2.176 5.424 12.547 1.00 0.00 C ATOM 216 CG GLU A 328 2.063 4.675 13.868 1.00 0.00 C ATOM 217 CD GLU A 328 3.381 4.640 14.590 1.00 0.00 C ATOM 218 OE1 GLU A 328 4.327 4.133 14.037 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.472 5.217 15.648 1.00 0.00 O1- ATOM 0 H GLU A 328 0.981 7.505 13.563 1.00 0.00 H new ATOM 0 HA GLU A 328 3.780 6.767 13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.187 5.488 12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 328 2.801 4.845 11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.314 5.155 14.498 1.00 0.00 H new ATOM 0 HG3 GLU A 328 1.720 3.657 13.683 1.00 0.00 H new ATOM 226 N TYR A 329 2.074 8.632 11.193 1.00 0.00 N ATOM 227 CA TYR A 329 1.962 9.345 9.927 1.00 0.00 C ATOM 228 C TYR A 329 3.331 9.767 9.409 1.00 0.00 C ATOM 229 O TYR A 329 3.673 9.517 8.253 1.00 0.00 O ATOM 230 CB TYR A 329 1.058 10.571 10.078 1.00 0.00 C ATOM 231 CG TYR A 329 -0.413 10.237 10.196 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.856 8.926 10.094 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.353 11.232 10.411 1.00 0.00 C ATOM 234 CE1 TYR A 329 -2.198 8.615 10.200 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.697 10.934 10.519 1.00 0.00 C ATOM 236 CZ TYR A 329 -3.116 9.624 10.413 1.00 0.00 C ATOM 237 OH TYR A 329 -4.454 9.320 10.522 1.00 0.00 O ATOM 0 H TYR A 329 1.571 9.067 11.966 1.00 0.00 H new ATOM 0 HA TYR A 329 1.517 8.664 9.201 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.366 11.130 10.961 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.204 11.226 9.219 1.00 0.00 H new ATOM 0 HD1 TYR A 329 -0.139 8.135 9.929 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -1.029 12.259 10.496 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -2.527 7.590 10.117 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.416 11.722 10.686 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.965 10.143 10.671 1.00 0.00 H new ATOM 247 N GLU A 330 4.112 10.409 10.272 1.00 0.00 N ATOM 248 CA GLU A 330 5.432 10.899 9.894 1.00 0.00 C ATOM 249 C GLU A 330 6.385 9.746 9.603 1.00 0.00 C ATOM 250 O GLU A 330 7.066 9.735 8.577 1.00 0.00 O ATOM 251 CB GLU A 330 6.008 11.792 10.995 1.00 0.00 C ATOM 252 CG GLU A 330 5.315 13.140 11.137 1.00 0.00 C ATOM 253 CD GLU A 330 5.839 13.900 12.324 1.00 0.00 C ATOM 254 OE1 GLU A 330 6.650 13.362 13.039 1.00 0.00 O ATOM 255 OE2 GLU A 330 5.515 15.057 12.453 1.00 0.00 O1- ATOM 0 H GLU A 330 3.853 10.602 11.239 1.00 0.00 H new ATOM 0 HA GLU A 330 5.321 11.487 8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 330 5.945 11.263 11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 330 7.066 11.960 10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 330 5.466 13.727 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 330 4.241 12.990 11.244 1.00 0.00 H new ATOM 262 N ARG A 331 6.427 8.777 10.511 1.00 0.00 N ATOM 263 CA ARG A 331 7.354 7.658 10.393 1.00 0.00 C ATOM 264 C ARG A 331 7.109 6.872 9.113 1.00 0.00 C ATOM 265 O ARG A 331 8.023 6.665 8.314 1.00 0.00 O ATOM 266 CB ARG A 331 7.320 6.754 11.617 1.00 0.00 C ATOM 267 CG ARG A 331 8.297 5.590 11.579 1.00 0.00 C ATOM 268 CD ARG A 331 8.172 4.648 12.721 1.00 0.00 C ATOM 269 NE ARG A 331 6.907 3.932 12.774 1.00 0.00 N ATOM 270 CZ ARG A 331 6.602 2.860 12.017 1.00 0.00 C ATOM 271 NH1 ARG A 331 7.449 2.399 11.123 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 5.418 2.296 12.181 1.00 0.00 N ATOM 0 H ARG A 331 5.830 8.744 11.337 1.00 0.00 H new ATOM 0 HA ARG A 331 8.358 8.078 10.339 1.00 0.00 H new ATOM 0 HB2 ARG A 331 7.529 7.356 12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 331 6.311 6.359 11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 331 8.150 5.038 10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 331 9.313 5.984 11.558 1.00 0.00 H new ATOM 0 HD2 ARG A 331 8.984 3.923 12.668 1.00 0.00 H new ATOM 0 HD3 ARG A 331 8.300 5.203 13.650 1.00 0.00 H new ATOM 0 HE ARG A 331 6.201 4.265 13.431 1.00 0.00 H new ATOM 0 HH11 ARG A 331 8.353 2.854 10.994 1.00 0.00 H new ATOM 0 HH12 ARG A 331 7.202 1.586 10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 331 4.764 2.674 12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 331 5.159 1.483 11.622 1.00 0.00 H new ATOM 286 N ILE A 332 5.869 6.432 8.922 1.00 0.00 N ATOM 287 CA ILE A 332 5.509 5.638 7.754 1.00 0.00 C ATOM 288 C ILE A 332 5.842 6.376 6.463 1.00 0.00 C ATOM 289 O ILE A 332 6.417 5.801 5.537 1.00 0.00 O ATOM 290 CB ILE A 332 4.012 5.277 7.755 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.698 4.312 8.901 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.610 4.672 6.419 1.00 0.00 C ATOM 293 CD1 ILE A 332 2.220 4.118 9.148 1.00 0.00 C ATOM 0 H ILE A 332 5.096 6.613 9.563 1.00 0.00 H new ATOM 0 HA ILE A 332 6.094 4.720 7.806 1.00 0.00 H new ATOM 0 HB ILE A 332 3.434 6.189 7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 332 4.150 3.345 8.683 1.00 0.00 H new ATOM 0 HG13 ILE A 332 4.164 4.683 9.814 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.549 4.423 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.800 5.391 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 332 4.192 3.768 6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 332 2.078 3.421 9.974 1.00 0.00 H new ATOM 0 HD12 ILE A 332 1.764 5.076 9.398 1.00 0.00 H new ATOM 0 HD13 ILE A 332 1.751 3.716 8.250 1.00 0.00 H new ATOM 305 N ALA A 333 5.479 7.653 6.406 1.00 0.00 N ATOM 306 CA ALA A 333 5.808 8.493 5.261 1.00 0.00 C ATOM 307 C ALA A 333 7.309 8.498 4.995 1.00 0.00 C ATOM 308 O ALA A 333 7.745 8.365 3.852 1.00 0.00 O ATOM 309 CB ALA A 333 5.301 9.911 5.481 1.00 0.00 C ATOM 0 H ALA A 333 4.956 8.129 7.141 1.00 0.00 H new ATOM 0 HA ALA A 333 5.313 8.076 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 333 5.554 10.526 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.219 9.895 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 333 5.766 10.329 6.373 1.00 0.00 H new ATOM 315 N PHE A 334 8.092 8.650 6.057 1.00 0.00 N ATOM 316 CA PHE A 334 9.544 8.718 5.934 1.00 0.00 C ATOM 317 C PHE A 334 10.116 7.400 5.431 1.00 0.00 C ATOM 318 O PHE A 334 11.140 7.377 4.749 1.00 0.00 O ATOM 319 CB PHE A 334 10.176 9.090 7.277 1.00 0.00 C ATOM 320 CG PHE A 334 9.844 10.480 7.739 1.00 0.00 C ATOM 321 CD1 PHE A 334 9.311 11.411 6.859 1.00 0.00 C ATOM 322 CD2 PHE A 334 10.062 10.860 9.054 1.00 0.00 C ATOM 323 CE1 PHE A 334 9.005 12.690 7.284 1.00 0.00 C ATOM 324 CE2 PHE A 334 9.757 12.137 9.482 1.00 0.00 C ATOM 325 CZ PHE A 334 9.228 13.053 8.594 1.00 0.00 C ATOM 0 H PHE A 334 7.746 8.729 7.013 1.00 0.00 H new ATOM 0 HA PHE A 334 9.783 9.492 5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 334 9.846 8.377 8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.259 8.992 7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 334 9.133 11.133 5.831 1.00 0.00 H new ATOM 0 HD2 PHE A 334 10.476 10.148 9.753 1.00 0.00 H new ATOM 0 HE1 PHE A 334 8.591 13.405 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 334 9.932 12.419 10.510 1.00 0.00 H new ATOM 0 HZ PHE A 334 8.989 14.053 8.926 1.00 0.00 H new ATOM 335 N GLN A 335 9.450 6.302 5.773 1.00 0.00 N ATOM 336 CA GLN A 335 9.887 4.977 5.351 1.00 0.00 C ATOM 337 C GLN A 335 9.706 4.788 3.850 1.00 0.00 C ATOM 338 O GLN A 335 10.361 3.946 3.236 1.00 0.00 O ATOM 339 CB GLN A 335 9.115 3.891 6.105 1.00 0.00 C ATOM 340 CG GLN A 335 9.403 3.845 7.596 1.00 0.00 C ATOM 341 CD GLN A 335 10.867 3.581 7.895 1.00 0.00 C ATOM 342 OE1 GLN A 335 11.481 2.682 7.315 1.00 0.00 O ATOM 343 NE2 GLN A 335 11.433 4.362 8.808 1.00 0.00 N ATOM 0 H GLN A 335 8.604 6.304 6.343 1.00 0.00 H new ATOM 0 HA GLN A 335 10.948 4.890 5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.047 4.051 5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.355 2.921 5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 335 9.107 4.791 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 335 8.795 3.067 8.057 1.00 0.00 H new ATOM 0 HE21 GLN A 335 10.887 5.094 9.263 1.00 0.00 H new ATOM 0 HE22 GLN A 335 12.414 4.230 9.054 1.00 0.00 H new ATOM 352 N HIS A 336 8.812 5.579 3.264 1.00 0.00 N ATOM 353 CA HIS A 336 8.529 5.487 1.837 1.00 0.00 C ATOM 354 C HIS A 336 9.163 6.643 1.074 1.00 0.00 C ATOM 355 O HIS A 336 8.953 6.796 -0.129 1.00 0.00 O ATOM 356 CB HIS A 336 7.018 5.462 1.586 1.00 0.00 C ATOM 357 CG HIS A 336 6.350 4.211 2.065 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.882 4.063 3.354 1.00 0.00 N ATOM 359 CD2 HIS A 336 6.073 3.048 1.429 1.00 0.00 C ATOM 360 CE1 HIS A 336 5.345 2.864 3.489 1.00 0.00 C ATOM 361 NE2 HIS A 336 5.448 2.228 2.336 1.00 0.00 N ATOM 0 H HIS A 336 8.272 6.291 3.756 1.00 0.00 H new ATOM 0 HA HIS A 336 8.964 4.556 1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.562 6.319 2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.834 5.576 0.518 1.00 0.00 H new ATOM 0 HD1 HIS A 336 5.941 4.769 4.088 1.00 0.00 H new ATOM 0 HD2 HIS A 336 6.301 2.810 0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 336 4.897 2.470 4.390 1.00 0.00 H new ATOM 368 N GLY A 337 9.942 7.456 1.781 1.00 0.00 N ATOM 369 CA GLY A 337 10.662 8.560 1.159 1.00 0.00 C ATOM 370 C GLY A 337 9.737 9.740 0.890 1.00 0.00 C ATOM 371 O GLY A 337 10.001 10.562 0.013 1.00 0.00 O ATOM 0 H GLY A 337 10.090 7.370 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.479 8.876 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 337 11.109 8.225 0.223 1.00 0.00 H new ATOM 375 N VAL A 338 8.650 9.818 1.651 1.00 0.00 N ATOM 376 CA VAL A 338 7.683 10.899 1.497 1.00 0.00 C ATOM 377 C VAL A 338 7.908 11.990 2.537 1.00 0.00 C ATOM 378 O VAL A 338 7.886 11.729 3.740 1.00 0.00 O ATOM 379 CB VAL A 338 6.236 10.383 1.614 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.250 11.536 1.494 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.958 9.333 0.550 1.00 0.00 C ATOM 0 H VAL A 338 8.417 9.145 2.381 1.00 0.00 H new ATOM 0 HA VAL A 338 7.831 11.315 0.500 1.00 0.00 H new ATOM 0 HB VAL A 338 6.112 9.922 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.232 11.155 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.435 12.257 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.376 12.023 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.932 8.979 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 338 6.099 9.770 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.644 8.495 0.677 1.00 0.00 H new ATOM 391 N THR A 339 8.125 13.213 2.065 1.00 0.00 N ATOM 392 CA THR A 339 8.348 14.348 2.953 1.00 0.00 C ATOM 393 C THR A 339 7.116 15.239 3.029 1.00 0.00 C ATOM 394 O THR A 339 6.912 15.951 4.012 1.00 0.00 O ATOM 395 CB THR A 339 9.553 15.192 2.497 1.00 0.00 C ATOM 396 OG1 THR A 339 9.308 15.709 1.183 1.00 0.00 O ATOM 397 CG2 THR A 339 10.819 14.350 2.479 1.00 0.00 C ATOM 0 H THR A 339 8.151 13.444 1.072 1.00 0.00 H new ATOM 0 HA THR A 339 8.556 13.938 3.941 1.00 0.00 H new ATOM 0 HB THR A 339 9.687 16.015 3.199 1.00 0.00 H new ATOM 0 HG1 THR A 339 10.075 16.247 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.659 14.964 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.015 13.966 3.480 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.691 13.516 1.789 1.00 0.00 H new ATOM 405 N ASP A 340 6.296 15.196 1.984 1.00 0.00 N ATOM 406 CA ASP A 340 5.056 15.964 1.951 1.00 0.00 C ATOM 407 C ASP A 340 3.924 15.212 2.639 1.00 0.00 C ATOM 408 O ASP A 340 3.025 14.687 1.980 1.00 0.00 O ATOM 409 CB ASP A 340 4.669 16.294 0.508 1.00 0.00 C ATOM 410 CG ASP A 340 3.481 17.239 0.377 1.00 0.00 C ATOM 411 OD1 ASP A 340 2.993 17.691 1.385 1.00 0.00 O ATOM 412 OD2 ASP A 340 3.172 17.623 -0.727 1.00 0.00 O1- ATOM 0 H ASP A 340 6.468 14.637 1.148 1.00 0.00 H new ATOM 0 HA ASP A 340 5.225 16.894 2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.529 16.738 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.439 15.366 -0.015 1.00 0.00 H new ATOM 417 N LEU A 341 3.972 15.163 3.966 1.00 0.00 N ATOM 418 CA LEU A 341 2.955 14.466 4.744 1.00 0.00 C ATOM 419 C LEU A 341 1.602 15.153 4.621 1.00 0.00 C ATOM 420 O LEU A 341 0.566 14.494 4.532 1.00 0.00 O ATOM 421 CB LEU A 341 3.380 14.382 6.216 1.00 0.00 C ATOM 422 CG LEU A 341 2.395 13.651 7.138 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.194 12.221 6.658 1.00 0.00 C ATOM 424 CD2 LEU A 341 2.924 13.672 8.565 1.00 0.00 C ATOM 0 H LEU A 341 4.705 15.598 4.526 1.00 0.00 H new ATOM 0 HA LEU A 341 2.856 13.456 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.346 13.880 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.525 15.394 6.594 1.00 0.00 H new ATOM 0 HG LEU A 341 1.430 14.157 7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.493 11.710 7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.795 12.230 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 341 3.149 11.696 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.224 13.153 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 341 3.893 13.174 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 341 3.034 14.704 8.897 1.00 0.00 H new ATOM 436 N ARG A 342 1.616 16.482 4.618 1.00 0.00 N ATOM 437 CA ARG A 342 0.387 17.262 4.549 1.00 0.00 C ATOM 438 C ARG A 342 -0.334 17.037 3.226 1.00 0.00 C ATOM 439 O ARG A 342 -1.563 17.010 3.174 1.00 0.00 O ATOM 440 CB ARG A 342 0.629 18.741 4.807 1.00 0.00 C ATOM 441 CG ARG A 342 0.948 19.096 6.251 1.00 0.00 C ATOM 442 CD ARG A 342 1.201 20.540 6.486 1.00 0.00 C ATOM 443 NE ARG A 342 1.469 20.887 7.873 1.00 0.00 N ATOM 444 CZ ARG A 342 1.746 22.130 8.310 1.00 0.00 C ATOM 445 NH1 ARG A 342 1.829 23.140 7.472 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 1.955 22.305 9.603 1.00 0.00 N ATOM 0 H ARG A 342 2.467 17.042 4.663 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.263 16.906 5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.453 19.075 4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.255 19.298 4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 342 0.119 18.777 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 342 1.824 18.530 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 342 2.049 20.851 5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 342 0.336 21.108 6.143 1.00 0.00 H new ATOM 0 HE ARG A 342 1.445 20.136 8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 342 1.683 22.988 6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 342 2.040 24.075 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 342 1.904 21.510 10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 342 2.167 23.235 9.964 1.00 0.00 H new ATOM 460 N GLY A 343 0.439 16.877 2.157 1.00 0.00 N ATOM 461 CA GLY A 343 -0.118 16.548 0.850 1.00 0.00 C ATOM 462 C GLY A 343 -0.772 15.172 0.861 1.00 0.00 C ATOM 463 O GLY A 343 -1.841 14.978 0.283 1.00 0.00 O ATOM 0 H GLY A 343 1.455 16.970 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.853 17.301 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.671 16.573 0.099 1.00 0.00 H new ATOM 467 N MET A 344 -0.123 14.220 1.523 1.00 0.00 N ATOM 468 CA MET A 344 -0.651 12.865 1.629 1.00 0.00 C ATOM 469 C MET A 344 -1.928 12.835 2.461 1.00 0.00 C ATOM 470 O MET A 344 -2.880 12.128 2.130 1.00 0.00 O ATOM 471 CB MET A 344 0.397 11.935 2.237 1.00 0.00 C ATOM 472 CG MET A 344 1.598 11.670 1.341 1.00 0.00 C ATOM 473 SD MET A 344 1.148 10.854 -0.204 1.00 0.00 S ATOM 474 CE MET A 344 1.048 12.257 -1.311 1.00 0.00 C ATOM 0 H MET A 344 0.770 14.362 1.995 1.00 0.00 H new ATOM 0 HA MET A 344 -0.894 12.518 0.625 1.00 0.00 H new ATOM 0 HB2 MET A 344 0.747 12.366 3.175 1.00 0.00 H new ATOM 0 HB3 MET A 344 -0.076 10.984 2.480 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.094 12.614 1.117 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.317 11.051 1.878 1.00 0.00 H new ATOM 0 HE1 MET A 344 0.197 12.133 -1.980 1.00 0.00 H new ATOM 0 HE2 MET A 344 0.922 13.171 -0.730 1.00 0.00 H new ATOM 0 HE3 MET A 344 1.964 12.323 -1.898 1.00 0.00 H new ATOM 484 N LEU A 345 -1.942 13.607 3.542 1.00 0.00 N ATOM 485 CA LEU A 345 -3.095 13.659 4.432 1.00 0.00 C ATOM 486 C LEU A 345 -4.233 14.460 3.811 1.00 0.00 C ATOM 487 O LEU A 345 -5.402 14.243 4.129 1.00 0.00 O ATOM 488 CB LEU A 345 -2.695 14.262 5.784 1.00 0.00 C ATOM 489 CG LEU A 345 -1.705 13.425 6.604 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.299 14.181 7.862 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.339 12.089 6.959 1.00 0.00 C ATOM 0 H LEU A 345 -1.166 14.206 3.823 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.447 12.640 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.258 15.245 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.597 14.414 6.377 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.808 13.241 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.596 13.579 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.827 15.123 7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -2.183 14.383 8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.635 11.495 7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -3.242 12.259 7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.596 11.554 6.045 1.00 0.00 H new ATOM 503 N LYS A 346 -3.884 15.385 2.924 1.00 0.00 N ATOM 504 CA LYS A 346 -4.878 16.110 2.140 1.00 0.00 C ATOM 505 C LYS A 346 -5.597 15.181 1.170 1.00 0.00 C ATOM 506 O LYS A 346 -6.817 15.250 1.021 1.00 0.00 O ATOM 507 CB LYS A 346 -4.223 17.262 1.378 1.00 0.00 C ATOM 508 CG LYS A 346 -5.191 18.108 0.562 1.00 0.00 C ATOM 509 CD LYS A 346 -4.482 19.283 -0.095 1.00 0.00 C ATOM 510 CE LYS A 346 -5.444 20.113 -0.932 1.00 0.00 C ATOM 511 NZ LYS A 346 -4.759 21.252 -1.600 1.00 0.00 N1+ ATOM 0 H LYS A 346 -2.919 15.651 2.729 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.615 16.518 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.708 17.906 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -3.464 16.855 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.661 17.490 -0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.988 18.477 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -4.029 19.911 0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -3.672 18.915 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -5.910 19.478 -1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -6.243 20.493 -0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -5.449 21.792 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -4.335 21.872 -0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -4.013 20.889 -2.227 1.00 0.00 H new ATOM 525 N ARG A 347 -4.834 14.314 0.514 1.00 0.00 N ATOM 526 CA ARG A 347 -5.405 13.332 -0.400 1.00 0.00 C ATOM 527 C ARG A 347 -6.027 12.168 0.361 1.00 0.00 C ATOM 528 O ARG A 347 -6.872 11.447 -0.170 1.00 0.00 O ATOM 529 CB ARG A 347 -4.391 12.847 -1.427 1.00 0.00 C ATOM 530 CG ARG A 347 -3.896 13.914 -2.390 1.00 0.00 C ATOM 531 CD ARG A 347 -4.889 14.321 -3.416 1.00 0.00 C ATOM 532 NE ARG A 347 -4.430 15.366 -4.319 1.00 0.00 N ATOM 533 CZ ARG A 347 -5.170 15.899 -5.310 1.00 0.00 C ATOM 534 NH1 ARG A 347 -6.387 15.468 -5.556 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -4.630 16.854 -6.047 1.00 0.00 N ATOM 0 H ARG A 347 -3.818 14.271 0.598 1.00 0.00 H new ATOM 0 HA ARG A 347 -6.200 13.833 -0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.534 12.428 -0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.838 12.037 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -3.601 14.794 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -3.002 13.546 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -5.165 13.446 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -5.793 14.664 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 347 -3.482 15.719 -4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -6.786 14.718 -4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 347 -6.932 15.884 -6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -3.678 17.168 -5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 347 -5.165 17.277 -6.805 1.00 0.00 H new ATOM 549 N LEU A 348 -5.605 11.991 1.609 1.00 0.00 N ATOM 550 CA LEU A 348 -6.213 11.001 2.490 1.00 0.00 C ATOM 551 C LEU A 348 -7.665 11.352 2.793 1.00 0.00 C ATOM 552 O LEU A 348 -8.569 10.553 2.554 1.00 0.00 O ATOM 553 CB LEU A 348 -5.409 10.885 3.791 1.00 0.00 C ATOM 554 CG LEU A 348 -5.702 9.634 4.629 1.00 0.00 C ATOM 555 CD1 LEU A 348 -4.666 9.493 5.736 1.00 0.00 C ATOM 556 CD2 LEU A 348 -7.104 9.726 5.211 1.00 0.00 C ATOM 0 H LEU A 348 -4.844 12.521 2.033 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.200 10.038 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -4.347 10.898 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -5.606 11.766 4.401 1.00 0.00 H new ATOM 0 HG LEU A 348 -5.645 8.750 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -4.882 8.602 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -3.673 9.404 5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -4.700 10.372 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -7.310 8.836 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -7.178 10.611 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -7.830 9.797 4.401 1.00 0.00 H new ATOM 568 N LYS A 349 -7.880 12.553 3.320 1.00 0.00 N ATOM 569 CA LYS A 349 -9.217 12.998 3.691 1.00 0.00 C ATOM 570 C LYS A 349 -9.944 13.609 2.500 1.00 0.00 C ATOM 571 O LYS A 349 -10.461 12.898 1.682 1.00 0.00 O ATOM 572 CB LYS A 349 -9.147 14.007 4.838 1.00 0.00 C ATOM 573 CG LYS A 349 -10.505 14.489 5.337 1.00 0.00 C ATOM 574 CD LYS A 349 -10.355 15.448 6.507 1.00 0.00 C ATOM 575 CE LYS A 349 -11.709 15.936 6.999 1.00 0.00 C ATOM 576 NZ LYS A 349 -11.580 16.855 8.163 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.144 13.236 3.500 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.779 12.125 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -8.607 13.556 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -8.566 14.870 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -11.039 14.983 4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -11.108 13.633 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -9.827 14.952 7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -9.746 16.301 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -12.227 16.448 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -12.323 15.080 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -12.525 17.164 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -11.109 16.359 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -11.016 17.685 7.889 1.00 0.00 H new