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=-0.96) USER MOD Single : A 327 SER OG : rot 180:sc= 0 USER MOD Single : A 329 TYR OH : rot -38:sc= 0.934 USER MOD Single : A 335 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 336 HIS : no HE2:sc= 0.491 K(o=0.49,f=-3!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl 165:sc= -0.0919 (180deg=-0.205) 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 1.684 6.041 0.398 1.00 0.00 N ATOM 29 CA VAL A 317 1.875 6.702 1.683 1.00 0.00 C ATOM 30 C VAL A 317 0.544 7.141 2.280 1.00 0.00 C ATOM 31 O VAL A 317 0.344 7.075 3.493 1.00 0.00 O ATOM 32 CB VAL A 317 2.798 7.928 1.556 1.00 0.00 C ATOM 33 CG1 VAL A 317 2.139 9.006 0.708 1.00 0.00 C ATOM 34 CG2 VAL A 317 3.149 8.476 2.931 1.00 0.00 C ATOM 0 HA VAL A 317 2.343 5.973 2.344 1.00 0.00 H new ATOM 0 HB VAL A 317 3.719 7.615 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 317 2.805 9.865 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 317 1.935 8.612 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 317 1.203 9.315 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 317 3.802 9.342 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 317 2.237 8.772 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.661 7.707 3.510 1.00 0.00 H new ATOM 44 N TRP A 318 -0.364 7.590 1.420 1.00 0.00 N ATOM 45 CA TRP A 318 -1.697 7.992 1.854 1.00 0.00 C ATOM 46 C TRP A 318 -2.632 6.793 1.948 1.00 0.00 C ATOM 47 O TRP A 318 -3.637 6.832 2.659 1.00 0.00 O ATOM 48 CB TRP A 318 -2.277 9.036 0.897 1.00 0.00 C ATOM 49 CG TRP A 318 -2.366 8.561 -0.522 1.00 0.00 C ATOM 50 CD1 TRP A 318 -1.439 8.749 -1.503 1.00 0.00 C ATOM 51 CD2 TRP A 318 -3.439 7.823 -1.118 1.00 0.00 C ATOM 52 NE1 TRP A 318 -1.866 8.175 -2.674 1.00 0.00 N ATOM 53 CE2 TRP A 318 -3.093 7.597 -2.462 1.00 0.00 C ATOM 54 CE3 TRP A 318 -4.660 7.329 -0.642 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -3.918 6.905 -3.336 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -5.486 6.634 -1.519 1.00 0.00 C ATOM 57 CH2 TRP A 318 -5.125 6.428 -2.826 1.00 0.00 C ATOM 0 H TRP A 318 -0.201 7.685 0.418 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.606 8.431 2.848 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.272 9.319 1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.660 9.934 0.933 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -0.504 9.274 -1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -1.355 8.177 -3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -4.954 7.485 0.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -3.638 6.743 -4.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -6.430 6.249 -1.164 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -5.792 5.883 -3.477 1.00 0.00 H new ATOM 68 N GLU A 319 -2.294 5.729 1.229 1.00 0.00 N ATOM 69 CA GLU A 319 -3.032 4.475 1.323 1.00 0.00 C ATOM 70 C GLU A 319 -2.851 3.829 2.690 1.00 0.00 C ATOM 71 O GLU A 319 -3.803 3.316 3.278 1.00 0.00 O ATOM 72 CB GLU A 319 -2.590 3.508 0.222 1.00 0.00 C ATOM 73 CG GLU A 319 -3.353 2.192 0.198 1.00 0.00 C ATOM 74 CD GLU A 319 -2.863 1.298 -0.907 1.00 0.00 C ATOM 75 OE1 GLU A 319 -1.964 1.691 -1.610 1.00 0.00 O ATOM 76 OE2 GLU A 319 -3.310 0.176 -0.979 1.00 0.00 O1- ATOM 0 H GLU A 319 -1.513 5.710 0.574 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.090 4.702 1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.706 3.999 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -1.528 3.296 0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -3.239 1.685 1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -4.417 2.388 0.066 1.00 0.00 H new ATOM 83 N ILE A 320 -1.621 3.858 3.194 1.00 0.00 N ATOM 84 CA ILE A 320 -1.324 3.332 4.521 1.00 0.00 C ATOM 85 C ILE A 320 -1.786 4.294 5.610 1.00 0.00 C ATOM 86 O ILE A 320 -2.311 3.873 6.640 1.00 0.00 O ATOM 87 CB ILE A 320 0.181 3.058 4.696 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.625 1.917 3.777 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.496 2.731 6.147 1.00 0.00 C ATOM 90 CD1 ILE A 320 2.125 1.744 3.701 1.00 0.00 C ATOM 0 H ILE A 320 -0.813 4.241 2.702 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.868 2.392 4.616 1.00 0.00 H new ATOM 0 HB ILE A 320 0.733 3.957 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.178 0.986 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 320 0.238 2.099 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.564 2.540 6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.213 3.573 6.779 1.00 0.00 H new ATOM 0 HG23 ILE A 320 -0.063 1.846 6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 320 2.362 0.917 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 320 2.578 2.660 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 320 2.517 1.530 4.695 1.00 0.00 H new ATOM 102 N LEU A 321 -1.585 5.586 5.374 1.00 0.00 N ATOM 103 CA LEU A 321 -2.012 6.611 6.319 1.00 0.00 C ATOM 104 C LEU A 321 -3.489 6.464 6.661 1.00 0.00 C ATOM 105 O LEU A 321 -3.919 6.809 7.763 1.00 0.00 O ATOM 106 CB LEU A 321 -1.734 8.007 5.747 1.00 0.00 C ATOM 107 CG LEU A 321 -0.488 8.705 6.308 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.594 7.678 6.612 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.013 9.735 5.306 1.00 0.00 C ATOM 0 H LEU A 321 -1.129 5.948 4.536 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.440 6.483 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -1.629 7.925 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -2.602 8.639 5.936 1.00 0.00 H new ATOM 0 HG LEU A 321 -0.745 9.215 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.474 8.183 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 321 0.222 6.965 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 321 0.862 7.150 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 321 0.898 10.230 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.267 9.238 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 321 -0.766 10.475 5.125 1.00 0.00 H new ATOM 121 N ARG A 322 -4.263 5.949 5.711 1.00 0.00 N ATOM 122 CA ARG A 322 -5.679 5.685 5.937 1.00 0.00 C ATOM 123 C ARG A 322 -5.887 4.814 7.169 1.00 0.00 C ATOM 124 O ARG A 322 -6.756 5.090 7.997 1.00 0.00 O ATOM 125 CB ARG A 322 -6.353 5.086 4.711 1.00 0.00 C ATOM 126 CG ARG A 322 -7.818 4.728 4.899 1.00 0.00 C ATOM 127 CD ARG A 322 -8.466 4.148 3.693 1.00 0.00 C ATOM 128 NE ARG A 322 -9.860 3.779 3.877 1.00 0.00 N ATOM 129 CZ ARG A 322 -10.279 2.612 4.406 1.00 0.00 C ATOM 130 NH1 ARG A 322 -9.420 1.686 4.769 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -11.580 2.413 4.529 1.00 0.00 N ATOM 0 H ARG A 322 -3.933 5.706 4.777 1.00 0.00 H new ATOM 0 HA ARG A 322 -6.159 6.646 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.270 5.794 3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -5.809 4.188 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -7.904 4.017 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -8.364 5.624 5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.398 4.868 2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -7.907 3.264 3.385 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.571 4.450 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -8.419 1.845 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -9.754 0.809 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.237 3.133 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -11.927 1.540 4.926 1.00 0.00 H new ATOM 145 N GLN A 323 -5.085 3.761 7.285 1.00 0.00 N ATOM 146 CA GLN A 323 -5.271 2.768 8.337 1.00 0.00 C ATOM 147 C GLN A 323 -4.264 2.964 9.463 1.00 0.00 C ATOM 148 O GLN A 323 -4.428 2.423 10.557 1.00 0.00 O ATOM 149 CB GLN A 323 -5.141 1.353 7.768 1.00 0.00 C ATOM 150 CG GLN A 323 -6.168 1.015 6.700 1.00 0.00 C ATOM 151 CD GLN A 323 -5.999 -0.393 6.161 1.00 0.00 C ATOM 152 OE1 GLN A 323 -5.208 -1.183 6.684 1.00 0.00 O ATOM 153 NE2 GLN A 323 -6.741 -0.714 5.107 1.00 0.00 N ATOM 0 H GLN A 323 -4.299 3.573 6.663 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.274 2.900 8.743 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -4.143 1.233 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -5.232 0.636 8.584 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -7.170 1.124 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -6.083 1.728 5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -7.382 -0.029 4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -6.670 -1.646 4.698 1.00 0.00 H new ATOM 162 N ALA A 324 -3.221 3.741 9.189 1.00 0.00 N ATOM 163 CA ALA A 324 -2.165 3.977 10.166 1.00 0.00 C ATOM 164 C ALA A 324 -2.561 5.067 11.154 1.00 0.00 C ATOM 165 O ALA A 324 -3.346 5.956 10.829 1.00 0.00 O ATOM 166 CB ALA A 324 -0.865 4.342 9.462 1.00 0.00 C ATOM 0 H ALA A 324 -3.085 4.218 8.298 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.013 3.056 10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.086 4.515 10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -0.565 3.525 8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -1.012 5.247 8.872 1.00 0.00 H new ATOM 172 N PRO A 325 -2.012 4.990 12.361 1.00 0.00 N ATOM 173 CA PRO A 325 -2.229 6.022 13.369 1.00 0.00 C ATOM 174 C PRO A 325 -1.453 7.289 13.035 1.00 0.00 C ATOM 175 O PRO A 325 -0.366 7.229 12.459 1.00 0.00 O ATOM 176 CB PRO A 325 -1.751 5.378 14.674 1.00 0.00 C ATOM 177 CG PRO A 325 -0.678 4.433 14.250 1.00 0.00 C ATOM 178 CD PRO A 325 -1.117 3.906 12.910 1.00 0.00 C ATOM 0 HA PRO A 325 -3.270 6.339 13.432 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -1.370 6.126 15.370 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -2.563 4.856 15.180 1.00 0.00 H new ATOM 0 HG2 PRO A 325 0.285 4.939 14.177 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -0.559 3.624 14.971 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.265 3.724 12.255 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.651 2.961 13.009 1.00 0.00 H new ATOM 186 N PRO A 326 -2.016 8.436 13.400 1.00 0.00 N ATOM 187 CA PRO A 326 -1.375 9.720 13.145 1.00 0.00 C ATOM 188 C PRO A 326 0.037 9.754 13.716 1.00 0.00 C ATOM 189 O PRO A 326 0.919 10.422 13.177 1.00 0.00 O ATOM 190 CB PRO A 326 -2.296 10.740 13.823 1.00 0.00 C ATOM 191 CG PRO A 326 -3.637 10.089 13.820 1.00 0.00 C ATOM 192 CD PRO A 326 -3.368 8.622 14.029 1.00 0.00 C ATOM 0 HA PRO A 326 -1.253 9.927 12.082 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -1.964 10.962 14.837 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -2.312 11.684 13.279 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -4.270 10.489 14.612 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.157 10.263 12.878 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.361 8.359 15.087 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.125 8.000 13.551 1.00 0.00 H new ATOM 200 N SER A 327 0.245 9.031 14.810 1.00 0.00 N ATOM 201 CA SER A 327 1.517 9.066 15.522 1.00 0.00 C ATOM 202 C SER A 327 2.627 8.425 14.699 1.00 0.00 C ATOM 203 O SER A 327 3.809 8.667 14.940 1.00 0.00 O ATOM 204 CB SER A 327 1.384 8.371 16.863 1.00 0.00 C ATOM 205 OG SER A 327 1.147 6.997 16.723 1.00 0.00 O ATOM 0 H SER A 327 -0.452 8.412 15.224 1.00 0.00 H new ATOM 0 HA SER A 327 1.784 10.110 15.689 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.295 8.524 17.442 1.00 0.00 H new ATOM 0 HB3 SER A 327 0.568 8.824 17.426 1.00 0.00 H new ATOM 0 HG SER A 327 1.069 6.586 17.609 1.00 0.00 H new ATOM 211 N GLU A 328 2.238 7.607 13.727 1.00 0.00 N ATOM 212 CA GLU A 328 3.200 6.879 12.908 1.00 0.00 C ATOM 213 C GLU A 328 3.109 7.300 11.448 1.00 0.00 C ATOM 214 O GLU A 328 3.492 6.548 10.550 1.00 0.00 O ATOM 215 CB GLU A 328 2.979 5.370 13.037 1.00 0.00 C ATOM 216 CG GLU A 328 3.201 4.818 14.437 1.00 0.00 C ATOM 217 CD GLU A 328 3.010 3.328 14.474 1.00 0.00 C ATOM 218 OE1 GLU A 328 2.692 2.764 13.456 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.290 2.739 15.492 1.00 0.00 O1- ATOM 0 H GLU A 328 1.262 7.431 13.487 1.00 0.00 H new ATOM 0 HA GLU A 328 4.199 7.122 13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.961 5.137 12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.649 4.857 12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 328 4.208 5.066 14.772 1.00 0.00 H new ATOM 0 HG3 GLU A 328 2.508 5.293 15.131 1.00 0.00 H new ATOM 226 N TYR A 329 2.600 8.505 11.213 1.00 0.00 N ATOM 227 CA TYR A 329 2.563 9.073 9.872 1.00 0.00 C ATOM 228 C TYR A 329 3.961 9.437 9.389 1.00 0.00 C ATOM 229 O TYR A 329 4.242 9.403 8.191 1.00 0.00 O ATOM 230 CB TYR A 329 1.660 10.309 9.840 1.00 0.00 C ATOM 231 CG TYR A 329 0.186 9.986 9.729 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.260 8.673 9.746 1.00 0.00 C ATOM 233 CD2 TYR A 329 -0.756 10.998 9.612 1.00 0.00 C ATOM 234 CE1 TYR A 329 -1.605 8.373 9.645 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.103 10.710 9.512 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.524 9.396 9.528 1.00 0.00 C ATOM 237 OH TYR A 329 -3.866 9.103 9.429 1.00 0.00 O ATOM 0 H TYR A 329 2.207 9.107 11.936 1.00 0.00 H new ATOM 0 HA TYR A 329 2.156 8.317 9.201 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.827 10.893 10.745 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.949 10.937 8.997 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.457 7.871 9.840 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -0.431 12.028 9.599 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -1.935 7.345 9.658 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -2.823 11.509 9.422 1.00 0.00 H new ATOM 0 HH TYR A 329 -3.986 8.303 8.876 1.00 0.00 H new ATOM 247 N GLU A 330 4.834 9.785 10.328 1.00 0.00 N ATOM 248 CA GLU A 330 6.220 10.106 10.005 1.00 0.00 C ATOM 249 C GLU A 330 7.002 8.853 9.630 1.00 0.00 C ATOM 250 O GLU A 330 7.882 8.893 8.771 1.00 0.00 O ATOM 251 CB GLU A 330 6.894 10.815 11.181 1.00 0.00 C ATOM 252 CG GLU A 330 6.366 12.216 11.456 1.00 0.00 C ATOM 253 CD GLU A 330 6.979 12.796 12.701 1.00 0.00 C ATOM 254 OE1 GLU A 330 7.732 12.107 13.346 1.00 0.00 O ATOM 255 OE2 GLU A 330 6.783 13.962 12.947 1.00 0.00 O1- ATOM 0 H GLU A 330 4.606 9.852 11.320 1.00 0.00 H new ATOM 0 HA GLU A 330 6.216 10.775 9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 330 6.765 10.209 12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 330 7.965 10.875 10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 330 6.584 12.862 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 330 5.282 12.184 11.563 1.00 0.00 H new ATOM 262 N ARG A 331 6.677 7.742 10.283 1.00 0.00 N ATOM 263 CA ARG A 331 7.379 6.485 10.052 1.00 0.00 C ATOM 264 C ARG A 331 7.021 5.895 8.695 1.00 0.00 C ATOM 265 O ARG A 331 7.857 5.273 8.038 1.00 0.00 O ATOM 266 CB ARG A 331 7.146 5.483 11.174 1.00 0.00 C ATOM 267 CG ARG A 331 7.842 5.818 12.484 1.00 0.00 C ATOM 268 CD ARG A 331 7.612 4.830 13.569 1.00 0.00 C ATOM 269 NE ARG A 331 8.350 5.095 14.793 1.00 0.00 N ATOM 270 CZ ARG A 331 8.288 4.337 15.905 1.00 0.00 C ATOM 271 NH1 ARG A 331 7.495 3.290 15.966 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 9.026 4.688 16.943 1.00 0.00 N ATOM 0 H ARG A 331 5.931 7.687 10.977 1.00 0.00 H new ATOM 0 HA ARG A 331 8.445 6.710 10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 331 6.074 5.407 11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 331 7.483 4.501 10.841 1.00 0.00 H new ATOM 0 HG2 ARG A 331 8.914 5.898 12.302 1.00 0.00 H new ATOM 0 HG3 ARG A 331 7.502 6.797 12.822 1.00 0.00 H new ATOM 0 HD2 ARG A 331 6.547 4.805 13.800 1.00 0.00 H new ATOM 0 HD3 ARG A 331 7.883 3.839 13.204 1.00 0.00 H new ATOM 0 HE ARG A 331 8.958 5.913 14.811 1.00 0.00 H new ATOM 0 HH11 ARG A 331 6.916 3.042 15.164 1.00 0.00 H new ATOM 0 HH12 ARG A 331 7.459 2.726 16.815 1.00 0.00 H new ATOM 0 HH21 ARG A 331 9.622 5.514 16.889 1.00 0.00 H new ATOM 0 HH22 ARG A 331 9.000 4.133 17.798 1.00 0.00 H new ATOM 286 N ILE A 332 5.775 6.093 8.279 1.00 0.00 N ATOM 287 CA ILE A 332 5.324 5.641 6.969 1.00 0.00 C ATOM 288 C ILE A 332 5.834 6.558 5.864 1.00 0.00 C ATOM 289 O ILE A 332 6.322 6.094 4.834 1.00 0.00 O ATOM 290 CB ILE A 332 3.787 5.569 6.893 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.250 4.557 7.909 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.339 5.206 5.487 1.00 0.00 C ATOM 293 CD1 ILE A 332 3.810 3.164 7.736 1.00 0.00 C ATOM 0 H ILE A 332 5.059 6.564 8.831 1.00 0.00 H new ATOM 0 HA ILE A 332 5.733 4.641 6.825 1.00 0.00 H new ATOM 0 HB ILE A 332 3.382 6.551 7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.480 4.909 8.915 1.00 0.00 H new ATOM 0 HG13 ILE A 332 2.164 4.515 7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.251 5.160 5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.692 5.962 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 332 3.752 4.235 5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 332 3.383 2.504 8.491 1.00 0.00 H new ATOM 0 HD12 ILE A 332 3.557 2.791 6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 332 4.894 3.191 7.848 1.00 0.00 H new ATOM 305 N ALA A 333 5.718 7.863 6.085 1.00 0.00 N ATOM 306 CA ALA A 333 6.191 8.849 5.120 1.00 0.00 C ATOM 307 C ALA A 333 7.690 8.711 4.882 1.00 0.00 C ATOM 308 O ALA A 333 8.171 8.904 3.765 1.00 0.00 O ATOM 309 CB ALA A 333 5.853 10.256 5.591 1.00 0.00 C ATOM 0 H ALA A 333 5.300 8.263 6.925 1.00 0.00 H new ATOM 0 HA ALA A 333 5.683 8.665 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 333 6.212 10.980 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.773 10.354 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 333 6.331 10.443 6.552 1.00 0.00 H new ATOM 315 N PHE A 334 8.423 8.376 5.938 1.00 0.00 N ATOM 316 CA PHE A 334 9.861 8.158 5.834 1.00 0.00 C ATOM 317 C PHE A 334 10.186 7.137 4.751 1.00 0.00 C ATOM 318 O PHE A 334 11.102 7.335 3.952 1.00 0.00 O ATOM 319 CB PHE A 334 10.430 7.699 7.177 1.00 0.00 C ATOM 320 CG PHE A 334 11.895 7.368 7.134 1.00 0.00 C ATOM 321 CD1 PHE A 334 12.849 8.374 7.196 1.00 0.00 C ATOM 322 CD2 PHE A 334 12.322 6.054 7.031 1.00 0.00 C ATOM 323 CE1 PHE A 334 14.198 8.072 7.156 1.00 0.00 C ATOM 324 CE2 PHE A 334 13.669 5.749 6.992 1.00 0.00 C ATOM 325 CZ PHE A 334 14.607 6.760 7.054 1.00 0.00 C ATOM 0 H PHE A 334 8.045 8.249 6.877 1.00 0.00 H new ATOM 0 HA PHE A 334 10.324 9.106 5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 334 10.266 8.482 7.917 1.00 0.00 H new ATOM 0 HB3 PHE A 334 9.878 6.821 7.514 1.00 0.00 H new ATOM 0 HD1 PHE A 334 12.534 9.404 7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 334 11.593 5.259 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 334 14.931 8.864 7.205 1.00 0.00 H new ATOM 0 HE2 PHE A 334 13.988 4.720 6.913 1.00 0.00 H new ATOM 0 HZ PHE A 334 15.660 6.523 7.023 1.00 0.00 H new ATOM 335 N GLN A 335 9.430 6.044 4.729 1.00 0.00 N ATOM 336 CA GLN A 335 9.704 4.942 3.814 1.00 0.00 C ATOM 337 C GLN A 335 9.423 5.342 2.371 1.00 0.00 C ATOM 338 O GLN A 335 10.025 4.807 1.440 1.00 0.00 O ATOM 339 CB GLN A 335 8.863 3.717 4.184 1.00 0.00 C ATOM 340 CG GLN A 335 9.261 3.062 5.496 1.00 0.00 C ATOM 341 CD GLN A 335 8.380 1.877 5.841 1.00 0.00 C ATOM 342 OE1 GLN A 335 7.472 1.518 5.084 1.00 0.00 O ATOM 343 NE2 GLN A 335 8.639 1.263 6.990 1.00 0.00 N ATOM 0 H GLN A 335 8.622 5.898 5.335 1.00 0.00 H new ATOM 0 HA GLN A 335 10.761 4.692 3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 335 7.816 4.013 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 335 8.942 2.981 3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 335 10.299 2.734 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 335 9.206 3.798 6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 335 9.399 1.593 7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.078 0.461 7.278 1.00 0.00 H new ATOM 352 N HIS A 336 8.505 6.286 2.191 1.00 0.00 N ATOM 353 CA HIS A 336 8.095 6.712 0.860 1.00 0.00 C ATOM 354 C HIS A 336 8.871 7.943 0.412 1.00 0.00 C ATOM 355 O HIS A 336 8.771 8.367 -0.741 1.00 0.00 O ATOM 356 CB HIS A 336 6.590 6.999 0.822 1.00 0.00 C ATOM 357 CG HIS A 336 5.740 5.778 0.989 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.447 5.238 2.224 1.00 0.00 N ATOM 359 CD2 HIS A 336 5.122 4.991 0.077 1.00 0.00 C ATOM 360 CE1 HIS A 336 4.683 4.171 2.063 1.00 0.00 C ATOM 361 NE2 HIS A 336 4.471 4.001 0.771 1.00 0.00 N ATOM 0 H HIS A 336 8.031 6.771 2.953 1.00 0.00 H new ATOM 0 HA HIS A 336 8.316 5.897 0.171 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.345 7.712 1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.344 7.475 -0.127 1.00 0.00 H new ATOM 0 HD1 HIS A 336 5.769 5.604 3.120 1.00 0.00 H new ATOM 0 HD2 HIS A 336 5.138 5.118 -0.995 1.00 0.00 H new ATOM 0 HE1 HIS A 336 4.298 3.545 2.854 1.00 0.00 H new ATOM 368 N GLY A 337 9.645 8.514 1.327 1.00 0.00 N ATOM 369 CA GLY A 337 10.440 9.699 1.029 1.00 0.00 C ATOM 370 C GLY A 337 9.581 10.958 1.046 1.00 0.00 C ATOM 371 O GLY A 337 9.899 11.948 0.387 1.00 0.00 O ATOM 0 H GLY A 337 9.739 8.174 2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.244 9.794 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 337 10.909 9.589 0.051 1.00 0.00 H new ATOM 375 N VAL A 338 8.490 10.913 1.804 1.00 0.00 N ATOM 376 CA VAL A 338 7.557 12.031 1.868 1.00 0.00 C ATOM 377 C VAL A 338 7.850 12.925 3.066 1.00 0.00 C ATOM 378 O VAL A 338 7.970 12.448 4.194 1.00 0.00 O ATOM 379 CB VAL A 338 6.098 11.544 1.949 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.149 12.725 2.095 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.741 10.725 0.717 1.00 0.00 C ATOM 0 H VAL A 338 8.231 10.114 2.382 1.00 0.00 H new ATOM 0 HA VAL A 338 7.689 12.604 0.950 1.00 0.00 H new ATOM 0 HB VAL A 338 5.996 10.908 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.123 12.362 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.390 13.275 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.254 13.385 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.707 10.389 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 338 5.860 11.339 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.400 9.859 0.652 1.00 0.00 H new ATOM 391 N THR A 339 7.964 14.225 2.813 1.00 0.00 N ATOM 392 CA THR A 339 8.322 15.179 3.856 1.00 0.00 C ATOM 393 C THR A 339 7.182 16.153 4.126 1.00 0.00 C ATOM 394 O THR A 339 7.326 17.092 4.909 1.00 0.00 O ATOM 395 CB THR A 339 9.585 15.976 3.483 1.00 0.00 C ATOM 396 OG1 THR A 339 9.363 16.684 2.256 1.00 0.00 O ATOM 397 CG2 THR A 339 10.774 15.043 3.317 1.00 0.00 C ATOM 0 H THR A 339 7.814 14.642 1.894 1.00 0.00 H new ATOM 0 HA THR A 339 8.522 14.599 4.757 1.00 0.00 H new ATOM 0 HB THR A 339 9.799 16.683 4.284 1.00 0.00 H new ATOM 0 HG1 THR A 339 10.168 17.192 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.658 15.624 3.053 1.00 0.00 H new ATOM 0 HG22 THR A 339 10.954 14.513 4.252 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.564 14.323 2.526 1.00 0.00 H new ATOM 405 N ASP A 340 6.047 15.924 3.474 1.00 0.00 N ATOM 406 CA ASP A 340 4.898 16.813 3.599 1.00 0.00 C ATOM 407 C ASP A 340 3.627 16.031 3.903 1.00 0.00 C ATOM 408 O ASP A 340 2.931 15.579 2.994 1.00 0.00 O ATOM 409 CB ASP A 340 4.715 17.635 2.321 1.00 0.00 C ATOM 410 CG ASP A 340 3.611 18.681 2.398 1.00 0.00 C ATOM 411 OD1 ASP A 340 2.939 18.734 3.401 1.00 0.00 O ATOM 412 OD2 ASP A 340 3.550 19.517 1.528 1.00 0.00 O1- ATOM 0 H ASP A 340 5.898 15.129 2.853 1.00 0.00 H new ATOM 0 HA ASP A 340 5.090 17.490 4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.655 18.134 2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.499 16.957 1.495 1.00 0.00 H new ATOM 417 N LEU A 341 3.329 15.874 5.189 1.00 0.00 N ATOM 418 CA LEU A 341 2.158 15.120 5.618 1.00 0.00 C ATOM 419 C LEU A 341 0.878 15.912 5.389 1.00 0.00 C ATOM 420 O LEU A 341 -0.205 15.340 5.265 1.00 0.00 O ATOM 421 CB LEU A 341 2.288 14.733 7.096 1.00 0.00 C ATOM 422 CG LEU A 341 3.348 13.666 7.401 1.00 0.00 C ATOM 423 CD1 LEU A 341 3.475 13.471 8.906 1.00 0.00 C ATOM 424 CD2 LEU A 341 2.966 12.361 6.718 1.00 0.00 C ATOM 0 H LEU A 341 3.884 16.260 5.953 1.00 0.00 H new ATOM 0 HA LEU A 341 2.103 14.212 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 341 2.522 15.629 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 341 1.321 14.373 7.447 1.00 0.00 H new ATOM 0 HG LEU A 341 4.314 13.993 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 341 4.230 12.712 9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 341 3.770 14.412 9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 341 2.516 13.150 9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 341 3.719 11.603 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 341 1.997 12.026 7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 341 2.908 12.517 5.641 1.00 0.00 H new ATOM 436 N ARG A 342 1.008 17.233 5.332 1.00 0.00 N ATOM 437 CA ARG A 342 -0.131 18.104 5.063 1.00 0.00 C ATOM 438 C ARG A 342 -0.601 17.966 3.620 1.00 0.00 C ATOM 439 O ARG A 342 -1.799 18.013 3.342 1.00 0.00 O ATOM 440 CB ARG A 342 0.161 19.555 5.417 1.00 0.00 C ATOM 441 CG ARG A 342 0.257 19.843 6.907 1.00 0.00 C ATOM 442 CD ARG A 342 0.619 21.245 7.238 1.00 0.00 C ATOM 443 NE ARG A 342 0.721 21.521 8.662 1.00 0.00 N ATOM 444 CZ ARG A 342 1.134 22.691 9.187 1.00 0.00 C ATOM 445 NH1 ARG A 342 1.519 23.682 8.413 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 1.165 22.809 10.502 1.00 0.00 N ATOM 0 H ARG A 342 1.891 17.725 5.469 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.944 17.779 5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.098 19.848 4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.621 20.183 4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -0.700 19.608 7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 342 0.998 19.176 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 342 1.572 21.482 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 342 -0.126 21.912 6.804 1.00 0.00 H new ATOM 0 HE ARG A 342 0.462 20.776 9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 342 1.508 23.571 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 342 1.829 24.561 8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 342 0.881 22.026 11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 342 1.473 23.683 10.929 1.00 0.00 H new ATOM 460 N GLY A 343 0.349 17.796 2.708 1.00 0.00 N ATOM 461 CA GLY A 343 0.028 17.522 1.312 1.00 0.00 C ATOM 462 C GLY A 343 -0.627 16.156 1.155 1.00 0.00 C ATOM 463 O GLY A 343 -1.508 15.973 0.315 1.00 0.00 O ATOM 0 H GLY A 343 1.348 17.843 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.640 18.294 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.937 17.563 0.712 1.00 0.00 H new ATOM 467 N MET A 344 -0.192 15.200 1.968 1.00 0.00 N ATOM 468 CA MET A 344 -0.801 13.875 1.986 1.00 0.00 C ATOM 469 C MET A 344 -2.153 13.899 2.688 1.00 0.00 C ATOM 470 O MET A 344 -3.045 13.114 2.366 1.00 0.00 O ATOM 471 CB MET A 344 0.130 12.875 2.670 1.00 0.00 C ATOM 472 CG MET A 344 1.424 12.604 1.917 1.00 0.00 C ATOM 473 SD MET A 344 1.139 12.004 0.239 1.00 0.00 S ATOM 474 CE MET A 344 1.403 13.503 -0.705 1.00 0.00 C ATOM 0 H MET A 344 0.580 15.318 2.624 1.00 0.00 H new ATOM 0 HA MET A 344 -0.962 13.564 0.954 1.00 0.00 H new ATOM 0 HB2 MET A 344 0.374 13.246 3.665 1.00 0.00 H new ATOM 0 HB3 MET A 344 -0.403 11.933 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.015 13.519 1.876 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.013 11.869 2.466 1.00 0.00 H new ATOM 0 HE1 MET A 344 1.527 13.252 -1.759 1.00 0.00 H new ATOM 0 HE2 MET A 344 0.543 14.163 -0.588 1.00 0.00 H new ATOM 0 HE3 MET A 344 2.299 14.007 -0.344 1.00 0.00 H new ATOM 484 N LEU A 345 -2.300 14.806 3.648 1.00 0.00 N ATOM 485 CA LEU A 345 -3.572 14.997 4.334 1.00 0.00 C ATOM 486 C LEU A 345 -4.655 15.462 3.367 1.00 0.00 C ATOM 487 O LEU A 345 -5.820 15.087 3.499 1.00 0.00 O ATOM 488 CB LEU A 345 -3.411 16.004 5.480 1.00 0.00 C ATOM 489 CG LEU A 345 -4.673 16.248 6.317 1.00 0.00 C ATOM 490 CD1 LEU A 345 -5.133 14.945 6.958 1.00 0.00 C ATOM 491 CD2 LEU A 345 -4.384 17.298 7.378 1.00 0.00 C ATOM 0 H LEU A 345 -1.552 15.421 3.969 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.881 14.037 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.618 15.654 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.082 16.956 5.063 1.00 0.00 H new ATOM 0 HG LEU A 345 -5.473 16.612 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -6.030 15.128 7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -5.355 14.215 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -4.344 14.559 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -5.281 17.471 7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -3.581 16.948 8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -4.083 18.228 6.897 1.00 0.00 H new ATOM 503 N LYS A 346 -4.263 16.281 2.398 1.00 0.00 N ATOM 504 CA LYS A 346 -5.162 16.678 1.320 1.00 0.00 C ATOM 505 C LYS A 346 -5.622 15.469 0.514 1.00 0.00 C ATOM 506 O LYS A 346 -6.752 15.429 0.029 1.00 0.00 O ATOM 507 CB LYS A 346 -4.482 17.694 0.402 1.00 0.00 C ATOM 508 CG LYS A 346 -4.251 19.059 1.036 1.00 0.00 C ATOM 509 CD LYS A 346 -3.532 19.999 0.081 1.00 0.00 C ATOM 510 CE LYS A 346 -3.265 21.350 0.728 1.00 0.00 C ATOM 511 NZ LYS A 346 -2.531 22.269 -0.184 1.00 0.00 N1+ ATOM 0 H LYS A 346 -3.328 16.684 2.336 1.00 0.00 H new ATOM 0 HA LYS A 346 -6.040 17.141 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.522 17.289 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.091 17.821 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.208 19.494 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -3.664 18.944 1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -2.589 19.551 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.133 20.137 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.211 21.806 1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -2.687 21.207 1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -2.369 23.178 0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -1.616 21.846 -0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.094 22.427 -1.044 1.00 0.00 H new ATOM 525 N ARG A 347 -4.740 14.485 0.375 1.00 0.00 N ATOM 526 CA ARG A 347 -5.087 13.233 -0.283 1.00 0.00 C ATOM 527 C ARG A 347 -5.952 12.359 0.615 1.00 0.00 C ATOM 528 O ARG A 347 -6.773 11.577 0.134 1.00 0.00 O ATOM 529 CB ARG A 347 -3.857 12.482 -0.775 1.00 0.00 C ATOM 530 CG ARG A 347 -3.096 13.167 -1.898 1.00 0.00 C ATOM 531 CD ARG A 347 -1.932 12.398 -2.407 1.00 0.00 C ATOM 532 NE ARG A 347 -1.179 13.067 -3.456 1.00 0.00 N ATOM 533 CZ ARG A 347 -1.525 13.077 -4.758 1.00 0.00 C ATOM 534 NH1 ARG A 347 -2.586 12.426 -5.182 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -0.755 13.739 -5.603 1.00 0.00 N ATOM 0 H ARG A 347 -3.778 14.532 0.710 1.00 0.00 H new ATOM 0 HA ARG A 347 -5.674 13.488 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.179 12.334 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.165 11.493 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -3.782 13.354 -2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -2.749 14.138 -1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -1.261 12.186 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -2.284 11.438 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 347 -0.329 13.563 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -3.161 11.903 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 347 -2.834 12.444 -6.171 1.00 0.00 H new ATOM 0 HH21 ARG A 347 0.075 14.224 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 347 -0.991 13.765 -6.595 1.00 0.00 H new ATOM 549 N LEU A 348 -5.762 12.494 1.923 1.00 0.00 N ATOM 550 CA LEU A 348 -6.559 11.752 2.893 1.00 0.00 C ATOM 551 C LEU A 348 -7.966 12.322 3.002 1.00 0.00 C ATOM 552 O LEU A 348 -8.919 11.598 3.296 1.00 0.00 O ATOM 553 CB LEU A 348 -5.870 11.765 4.265 1.00 0.00 C ATOM 554 CG LEU A 348 -4.551 10.987 4.341 1.00 0.00 C ATOM 555 CD1 LEU A 348 -3.891 11.208 5.694 1.00 0.00 C ATOM 556 CD2 LEU A 348 -4.818 9.508 4.106 1.00 0.00 C ATOM 0 H LEU A 348 -5.063 13.111 2.336 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.641 10.722 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -5.679 12.800 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -6.559 11.354 5.003 1.00 0.00 H new ATOM 0 HG LEU A 348 -3.872 11.347 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -2.955 10.651 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -3.688 12.270 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -4.557 10.861 6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -3.880 8.956 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -5.502 9.136 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -5.263 9.371 3.121 1.00 0.00 H new ATOM 568 N LYS A 349 -8.094 13.622 2.763 1.00 0.00 N ATOM 569 CA LYS A 349 -9.389 14.289 2.820 1.00 0.00 C ATOM 570 C LYS A 349 -10.080 14.266 1.463 1.00 0.00 C ATOM 571 O LYS A 349 -10.659 13.280 1.101 1.00 0.00 O ATOM 572 CB LYS A 349 -9.228 15.732 3.305 1.00 0.00 C ATOM 573 CG LYS A 349 -8.822 15.862 4.767 1.00 0.00 C ATOM 574 CD LYS A 349 -8.678 17.321 5.172 1.00 0.00 C ATOM 575 CE LYS A 349 -8.346 17.455 6.651 1.00 0.00 C ATOM 576 NZ LYS A 349 -8.201 18.878 7.062 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.315 14.236 2.527 1.00 0.00 H new ATOM 0 HA LYS A 349 -10.013 13.745 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -8.480 16.229 2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -10.169 16.261 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -9.568 15.379 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -7.879 15.341 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -7.894 17.790 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -9.604 17.854 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -9.131 16.985 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -7.421 16.920 6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -7.975 18.925 8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -7.435 19.321 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -9.092 19.384 6.882 1.00 0.00 H new