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 78:sc= 0.774 USER MOD Single : A 329 TYR OH : rot 180:sc= 0 USER MOD Single : A 335 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 336 HIS : no HE2:sc= 0.704 K(o=0.7,f=-2.2!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl 158:sc= -0.391 (180deg=-0.536) 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 1.000 6.520 -0.353 1.00 0.00 N ATOM 29 CA VAL A 317 1.264 6.098 1.017 1.00 0.00 C ATOM 30 C VAL A 317 0.107 6.463 1.939 1.00 0.00 C ATOM 31 O VAL A 317 -0.045 5.890 3.017 1.00 0.00 O ATOM 32 CB VAL A 317 2.560 6.726 1.562 1.00 0.00 C ATOM 33 CG1 VAL A 317 2.351 8.203 1.866 1.00 0.00 C ATOM 34 CG2 VAL A 317 3.026 5.990 2.809 1.00 0.00 C ATOM 0 HA VAL A 317 1.378 5.014 0.995 1.00 0.00 H new ATOM 0 HB VAL A 317 3.332 6.636 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 317 3.277 8.630 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 317 2.062 8.725 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 317 1.564 8.313 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 317 3.943 6.448 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 317 2.254 6.050 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.215 4.945 2.565 1.00 0.00 H new ATOM 44 N TRP A 318 -0.706 7.421 1.508 1.00 0.00 N ATOM 45 CA TRP A 318 -1.850 7.867 2.295 1.00 0.00 C ATOM 46 C TRP A 318 -2.883 6.756 2.442 1.00 0.00 C ATOM 47 O TRP A 318 -3.719 6.790 3.344 1.00 0.00 O ATOM 48 CB TRP A 318 -2.492 9.098 1.652 1.00 0.00 C ATOM 49 CG TRP A 318 -3.005 8.851 0.266 1.00 0.00 C ATOM 50 CD1 TRP A 318 -2.335 9.069 -0.902 1.00 0.00 C ATOM 51 CD2 TRP A 318 -4.292 8.339 -0.098 1.00 0.00 C ATOM 52 NE1 TRP A 318 -3.126 8.726 -1.971 1.00 0.00 N ATOM 53 CE2 TRP A 318 -4.334 8.273 -1.502 1.00 0.00 C ATOM 54 CE3 TRP A 318 -5.416 7.929 0.630 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -5.446 7.819 -2.192 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.531 7.473 -0.062 1.00 0.00 C ATOM 57 CH2 TRP A 318 -6.546 7.419 -1.433 1.00 0.00 C ATOM 0 H TRP A 318 -0.594 7.904 0.617 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.490 8.132 3.289 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.315 9.438 2.280 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.760 9.905 1.621 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -1.329 9.455 -0.975 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -2.859 8.796 -2.953 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.416 7.967 1.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -5.461 7.777 -3.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -7.403 7.155 0.490 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -7.431 7.058 -1.937 1.00 0.00 H new ATOM 68 N GLU A 319 -2.818 5.773 1.551 1.00 0.00 N ATOM 69 CA GLU A 319 -3.635 4.572 1.676 1.00 0.00 C ATOM 70 C GLU A 319 -3.188 3.721 2.858 1.00 0.00 C ATOM 71 O GLU A 319 -4.004 3.069 3.510 1.00 0.00 O ATOM 72 CB GLU A 319 -3.579 3.750 0.385 1.00 0.00 C ATOM 73 CG GLU A 319 -4.270 4.400 -0.805 1.00 0.00 C ATOM 74 CD GLU A 319 -4.083 3.588 -2.056 1.00 0.00 C ATOM 75 OE1 GLU A 319 -3.385 2.604 -2.003 1.00 0.00 O ATOM 76 OE2 GLU A 319 -4.726 3.886 -3.035 1.00 0.00 O1- ATOM 0 H GLU A 319 -2.208 5.784 0.734 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.664 4.886 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.535 3.569 0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -4.036 2.777 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -5.334 4.509 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -3.871 5.403 -0.957 1.00 0.00 H new ATOM 83 N ILE A 320 -1.887 3.732 3.130 1.00 0.00 N ATOM 84 CA ILE A 320 -1.355 3.130 4.346 1.00 0.00 C ATOM 85 C ILE A 320 -1.701 3.964 5.572 1.00 0.00 C ATOM 86 O ILE A 320 -2.023 3.425 6.631 1.00 0.00 O ATOM 87 CB ILE A 320 0.173 2.958 4.268 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.541 1.933 3.191 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.731 2.539 5.620 1.00 0.00 C ATOM 90 CD1 ILE A 320 2.012 1.914 2.843 1.00 0.00 C ATOM 0 H ILE A 320 -1.182 4.152 2.524 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.818 2.148 4.438 1.00 0.00 H new ATOM 0 HB ILE A 320 0.616 3.916 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.245 0.941 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 320 -0.033 2.145 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.812 2.422 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.498 3.303 6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 320 0.283 1.592 5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 320 2.194 1.163 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 320 2.311 2.894 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 320 2.593 1.671 3.732 1.00 0.00 H new ATOM 102 N LEU A 321 -1.633 5.282 5.423 1.00 0.00 N ATOM 103 CA LEU A 321 -1.909 6.194 6.526 1.00 0.00 C ATOM 104 C LEU A 321 -3.376 6.140 6.931 1.00 0.00 C ATOM 105 O LEU A 321 -3.738 6.519 8.046 1.00 0.00 O ATOM 106 CB LEU A 321 -1.513 7.626 6.143 1.00 0.00 C ATOM 107 CG LEU A 321 -0.032 7.822 5.796 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.220 9.267 5.385 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.826 7.445 6.993 1.00 0.00 C ATOM 0 H LEU A 321 -1.388 5.743 4.547 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.312 5.879 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -2.114 7.936 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -1.767 8.290 6.969 1.00 0.00 H new ATOM 0 HG LEU A 321 0.234 7.177 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.274 9.397 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 321 -0.387 9.508 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 321 -0.046 9.931 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 321 1.878 7.585 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.566 8.078 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 321 0.650 6.401 7.252 1.00 0.00 H new ATOM 121 N ARG A 322 -4.220 5.667 6.020 1.00 0.00 N ATOM 122 CA ARG A 322 -5.651 5.569 6.279 1.00 0.00 C ATOM 123 C ARG A 322 -5.927 4.820 7.576 1.00 0.00 C ATOM 124 O ARG A 322 -6.762 5.237 8.379 1.00 0.00 O ATOM 125 CB ARG A 322 -6.405 4.953 5.109 1.00 0.00 C ATOM 126 CG ARG A 322 -7.909 4.853 5.299 1.00 0.00 C ATOM 127 CD ARG A 322 -8.637 4.285 4.135 1.00 0.00 C ATOM 128 NE ARG A 322 -10.082 4.235 4.295 1.00 0.00 N ATOM 129 CZ ARG A 322 -10.746 3.261 4.948 1.00 0.00 C ATOM 130 NH1 ARG A 322 -10.107 2.238 5.471 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -12.062 3.349 5.028 1.00 0.00 N ATOM 0 H ARG A 322 -3.937 5.345 5.094 1.00 0.00 H new ATOM 0 HA ARG A 322 -6.025 6.586 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.205 5.544 4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -6.009 3.954 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -8.112 4.237 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -8.304 5.847 5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.402 4.878 3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -8.269 3.276 3.949 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.631 4.990 3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -9.093 2.173 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -10.626 1.510 5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.547 4.139 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -12.593 2.627 5.516 1.00 0.00 H new ATOM 145 N GLN A 323 -5.221 3.712 7.775 1.00 0.00 N ATOM 146 CA GLN A 323 -5.468 2.841 8.918 1.00 0.00 C ATOM 147 C GLN A 323 -4.341 2.938 9.938 1.00 0.00 C ATOM 148 O GLN A 323 -4.216 2.090 10.822 1.00 0.00 O ATOM 149 CB GLN A 323 -5.628 1.389 8.460 1.00 0.00 C ATOM 150 CG GLN A 323 -6.817 1.151 7.546 1.00 0.00 C ATOM 151 CD GLN A 323 -6.880 -0.276 7.038 1.00 0.00 C ATOM 152 OE1 GLN A 323 -5.986 -1.084 7.300 1.00 0.00 O ATOM 153 NE2 GLN A 323 -7.939 -0.595 6.302 1.00 0.00 N ATOM 0 H GLN A 323 -4.472 3.396 7.159 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.392 3.171 9.393 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -4.719 1.081 7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -5.726 0.752 9.339 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -7.737 1.383 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -6.762 1.833 6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -8.656 0.105 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -8.035 -1.540 5.930 1.00 0.00 H new ATOM 162 N ALA A 324 -3.523 3.977 9.811 1.00 0.00 N ATOM 163 CA ALA A 324 -2.384 4.169 10.702 1.00 0.00 C ATOM 164 C ALA A 324 -2.697 5.198 11.780 1.00 0.00 C ATOM 165 O ALA A 324 -3.452 6.143 11.550 1.00 0.00 O ATOM 166 CB ALA A 324 -1.154 4.584 9.909 1.00 0.00 C ATOM 0 H ALA A 324 -3.627 4.700 9.099 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.177 3.219 11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.313 4.723 10.588 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -0.910 3.808 9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -1.357 5.519 9.386 1.00 0.00 H new ATOM 172 N PRO A 325 -2.111 5.010 12.958 1.00 0.00 N ATOM 173 CA PRO A 325 -2.221 5.989 14.034 1.00 0.00 C ATOM 174 C PRO A 325 -1.636 7.333 13.619 1.00 0.00 C ATOM 175 O PRO A 325 -0.659 7.390 12.872 1.00 0.00 O ATOM 176 CB PRO A 325 -1.448 5.357 15.196 1.00 0.00 C ATOM 177 CG PRO A 325 -1.381 3.908 14.853 1.00 0.00 C ATOM 178 CD PRO A 325 -1.276 3.858 13.351 1.00 0.00 C ATOM 0 HA PRO A 325 -3.255 6.205 14.304 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -0.452 5.789 15.292 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -1.958 5.517 16.146 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -0.520 3.432 15.323 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -2.268 3.380 15.203 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.247 3.962 13.008 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.654 2.920 12.945 1.00 0.00 H new ATOM 186 N PRO A 326 -2.239 8.411 14.107 1.00 0.00 N ATOM 187 CA PRO A 326 -1.766 9.756 13.804 1.00 0.00 C ATOM 188 C PRO A 326 -0.289 9.910 14.142 1.00 0.00 C ATOM 189 O PRO A 326 0.442 10.632 13.464 1.00 0.00 O ATOM 190 CB PRO A 326 -2.652 10.666 14.661 1.00 0.00 C ATOM 191 CG PRO A 326 -3.911 9.891 14.847 1.00 0.00 C ATOM 192 CD PRO A 326 -3.482 8.452 14.953 1.00 0.00 C ATOM 0 HA PRO A 326 -1.838 10.000 12.744 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -2.181 10.893 15.617 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -2.841 11.618 14.165 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -4.440 10.210 15.745 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.590 10.038 14.007 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.278 8.166 15.985 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.248 7.773 14.579 1.00 0.00 H new ATOM 200 N SER A 327 0.146 9.227 15.196 1.00 0.00 N ATOM 201 CA SER A 327 1.514 9.357 15.682 1.00 0.00 C ATOM 202 C SER A 327 2.502 8.695 14.731 1.00 0.00 C ATOM 203 O SER A 327 3.698 8.989 14.758 1.00 0.00 O ATOM 204 CB SER A 327 1.635 8.757 17.069 1.00 0.00 C ATOM 205 OG SER A 327 1.458 7.367 17.059 1.00 0.00 O ATOM 0 H SER A 327 -0.431 8.577 15.730 1.00 0.00 H new ATOM 0 HA SER A 327 1.756 10.419 15.732 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.615 8.994 17.482 1.00 0.00 H new ATOM 0 HB3 SER A 327 0.894 9.212 17.726 1.00 0.00 H new ATOM 0 HG SER A 327 2.277 6.935 16.738 1.00 0.00 H new ATOM 211 N GLU A 328 1.997 7.800 13.888 1.00 0.00 N ATOM 212 CA GLU A 328 2.849 7.008 13.010 1.00 0.00 C ATOM 213 C GLU A 328 2.871 7.582 11.599 1.00 0.00 C ATOM 214 O GLU A 328 3.545 7.056 10.714 1.00 0.00 O ATOM 215 CB GLU A 328 2.377 5.553 12.977 1.00 0.00 C ATOM 216 CG GLU A 328 2.306 4.884 14.342 1.00 0.00 C ATOM 217 CD GLU A 328 3.592 5.055 15.102 1.00 0.00 C ATOM 218 OE1 GLU A 328 4.621 4.703 14.578 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.561 5.639 16.160 1.00 0.00 O1- ATOM 0 H GLU A 328 1.000 7.605 13.795 1.00 0.00 H new ATOM 0 HA GLU A 328 3.863 7.044 13.408 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.390 5.514 12.515 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.050 4.980 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.483 5.310 14.916 1.00 0.00 H new ATOM 0 HG3 GLU A 328 2.093 3.822 14.218 1.00 0.00 H new ATOM 226 N TYR A 329 2.129 8.666 11.395 1.00 0.00 N ATOM 227 CA TYR A 329 2.037 9.296 10.084 1.00 0.00 C ATOM 228 C TYR A 329 3.410 9.728 9.583 1.00 0.00 C ATOM 229 O TYR A 329 3.799 9.413 8.459 1.00 0.00 O ATOM 230 CB TYR A 329 1.094 10.500 10.134 1.00 0.00 C ATOM 231 CG TYR A 329 -0.372 10.130 10.157 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.776 8.809 10.017 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.349 11.101 10.321 1.00 0.00 C ATOM 234 CE1 TYR A 329 -2.114 8.465 10.038 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.689 10.768 10.344 1.00 0.00 C ATOM 236 CZ TYR A 329 -3.068 9.449 10.201 1.00 0.00 C ATOM 237 OH TYR A 329 -4.403 9.112 10.225 1.00 0.00 O ATOM 0 H TYR A 329 1.582 9.126 12.123 1.00 0.00 H new ATOM 0 HA TYR A 329 1.636 8.560 9.388 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.323 11.092 11.020 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.285 11.135 9.269 1.00 0.00 H new ATOM 0 HD1 TYR A 329 -0.032 8.037 9.889 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -1.057 12.135 10.433 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -2.411 7.433 9.928 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.437 11.536 10.473 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.942 9.921 10.348 1.00 0.00 H new ATOM 247 N GLU A 330 4.140 10.451 10.426 1.00 0.00 N ATOM 248 CA GLU A 330 5.461 10.950 10.061 1.00 0.00 C ATOM 249 C GLU A 330 6.448 9.805 9.868 1.00 0.00 C ATOM 250 O GLU A 330 7.239 9.808 8.925 1.00 0.00 O ATOM 251 CB GLU A 330 5.981 11.918 11.125 1.00 0.00 C ATOM 252 CG GLU A 330 7.341 12.526 10.813 1.00 0.00 C ATOM 253 CD GLU A 330 7.753 13.514 11.867 1.00 0.00 C ATOM 254 OE1 GLU A 330 7.002 13.718 12.791 1.00 0.00 O ATOM 255 OE2 GLU A 330 8.867 13.983 11.811 1.00 0.00 O1- ATOM 0 H GLU A 330 3.839 10.705 11.367 1.00 0.00 H new ATOM 0 HA GLU A 330 5.366 11.482 9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 330 5.257 12.723 11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 330 6.042 11.392 12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 330 8.087 11.735 10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 330 7.307 13.020 9.842 1.00 0.00 H new ATOM 262 N ARG A 331 6.397 8.828 10.766 1.00 0.00 N ATOM 263 CA ARG A 331 7.347 7.724 10.752 1.00 0.00 C ATOM 264 C ARG A 331 7.150 6.843 9.524 1.00 0.00 C ATOM 265 O ARG A 331 8.116 6.357 8.935 1.00 0.00 O ATOM 266 CB ARG A 331 7.299 6.907 12.034 1.00 0.00 C ATOM 267 CG ARG A 331 7.889 7.598 13.255 1.00 0.00 C ATOM 268 CD ARG A 331 7.816 6.800 14.505 1.00 0.00 C ATOM 269 NE ARG A 331 8.433 7.432 15.661 1.00 0.00 N ATOM 270 CZ ARG A 331 8.464 6.901 16.897 1.00 0.00 C ATOM 271 NH1 ARG A 331 7.884 5.749 17.155 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 9.073 7.580 17.854 1.00 0.00 N ATOM 0 H ARG A 331 5.706 8.779 11.514 1.00 0.00 H new ATOM 0 HA ARG A 331 8.344 8.162 10.695 1.00 0.00 H new ATOM 0 HB2 ARG A 331 6.261 6.650 12.246 1.00 0.00 H new ATOM 0 HB3 ARG A 331 7.832 5.970 11.871 1.00 0.00 H new ATOM 0 HG2 ARG A 331 8.933 7.839 13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 331 7.368 8.543 13.410 1.00 0.00 H new ATOM 0 HD2 ARG A 331 6.769 6.599 14.732 1.00 0.00 H new ATOM 0 HD3 ARG A 331 8.296 5.836 14.334 1.00 0.00 H new ATOM 0 HE ARG A 331 8.873 8.342 15.525 1.00 0.00 H new ATOM 0 HH11 ARG A 331 7.401 5.244 16.412 1.00 0.00 H new ATOM 0 HH12 ARG A 331 7.917 5.361 18.098 1.00 0.00 H new ATOM 0 HH21 ARG A 331 9.503 8.481 17.645 1.00 0.00 H new ATOM 0 HH22 ARG A 331 9.113 7.203 18.801 1.00 0.00 H new ATOM 286 N ILE A 332 5.893 6.642 9.142 1.00 0.00 N ATOM 287 CA ILE A 332 5.569 5.858 7.957 1.00 0.00 C ATOM 288 C ILE A 332 6.005 6.575 6.686 1.00 0.00 C ATOM 289 O ILE A 332 6.615 5.974 5.801 1.00 0.00 O ATOM 290 CB ILE A 332 4.062 5.558 7.873 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.651 4.577 8.974 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.705 5.004 6.501 1.00 0.00 C ATOM 293 CD1 ILE A 332 2.155 4.439 9.142 1.00 0.00 C ATOM 0 H ILE A 332 5.082 7.012 9.637 1.00 0.00 H new ATOM 0 HA ILE A 332 6.113 4.918 8.045 1.00 0.00 H new ATOM 0 HB ILE A 332 3.514 6.489 8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 332 4.074 3.597 8.751 1.00 0.00 H new ATOM 0 HG13 ILE A 332 4.085 4.904 9.919 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.636 4.797 6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.964 5.735 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 332 4.260 4.082 6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 332 1.943 3.727 9.940 1.00 0.00 H new ATOM 0 HD12 ILE A 332 1.727 5.408 9.397 1.00 0.00 H new ATOM 0 HD13 ILE A 332 1.716 4.082 8.211 1.00 0.00 H new ATOM 305 N ALA A 333 5.690 7.862 6.599 1.00 0.00 N ATOM 306 CA ALA A 333 6.001 8.651 5.414 1.00 0.00 C ATOM 307 C ALA A 333 7.484 8.574 5.075 1.00 0.00 C ATOM 308 O ALA A 333 7.857 8.382 3.917 1.00 0.00 O ATOM 309 CB ALA A 333 5.574 10.098 5.612 1.00 0.00 C ATOM 0 H ALA A 333 5.218 8.383 7.338 1.00 0.00 H new ATOM 0 HA ALA A 333 5.443 8.234 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 333 5.813 10.674 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.500 10.139 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 333 6.102 10.520 6.467 1.00 0.00 H new ATOM 315 N PHE A 334 8.327 8.724 6.090 1.00 0.00 N ATOM 316 CA PHE A 334 9.770 8.780 5.888 1.00 0.00 C ATOM 317 C PHE A 334 10.303 7.454 5.360 1.00 0.00 C ATOM 318 O PHE A 334 11.295 7.419 4.631 1.00 0.00 O ATOM 319 CB PHE A 334 10.479 9.150 7.192 1.00 0.00 C ATOM 320 CG PHE A 334 10.268 10.577 7.612 1.00 0.00 C ATOM 321 CD1 PHE A 334 9.657 11.484 6.758 1.00 0.00 C ATOM 322 CD2 PHE A 334 10.678 11.015 8.862 1.00 0.00 C ATOM 323 CE1 PHE A 334 9.463 12.797 7.144 1.00 0.00 C ATOM 324 CE2 PHE A 334 10.483 12.326 9.251 1.00 0.00 C ATOM 325 CZ PHE A 334 9.875 13.218 8.390 1.00 0.00 C ATOM 0 H PHE A 334 8.035 8.809 7.064 1.00 0.00 H new ATOM 0 HA PHE A 334 9.974 9.550 5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 334 10.127 8.491 7.986 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.548 8.969 7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 334 9.329 11.161 5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 334 11.156 10.323 9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 334 8.988 13.493 6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 334 10.806 12.653 10.228 1.00 0.00 H new ATOM 0 HZ PHE A 334 9.723 14.244 8.692 1.00 0.00 H new ATOM 335 N GLN A 335 9.639 6.365 5.731 1.00 0.00 N ATOM 336 CA GLN A 335 10.043 5.034 5.292 1.00 0.00 C ATOM 337 C GLN A 335 9.770 4.839 3.806 1.00 0.00 C ATOM 338 O GLN A 335 10.375 3.983 3.162 1.00 0.00 O ATOM 339 CB GLN A 335 9.310 3.959 6.098 1.00 0.00 C ATOM 340 CG GLN A 335 9.767 3.844 7.542 1.00 0.00 C ATOM 341 CD GLN A 335 8.988 2.795 8.314 1.00 0.00 C ATOM 342 OE1 GLN A 335 8.127 2.107 7.757 1.00 0.00 O ATOM 343 NE2 GLN A 335 9.285 2.668 9.602 1.00 0.00 N ATOM 0 H GLN A 335 8.818 6.378 6.335 1.00 0.00 H new ATOM 0 HA GLN A 335 11.116 4.940 5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.242 4.175 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.448 2.996 5.607 1.00 0.00 H new ATOM 0 HG2 GLN A 335 10.828 3.595 7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 335 9.655 4.810 8.034 1.00 0.00 H new ATOM 0 HE21 GLN A 335 10.004 3.258 10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.794 1.980 10.173 1.00 0.00 H new ATOM 352 N HIS A 336 8.854 5.637 3.267 1.00 0.00 N ATOM 353 CA HIS A 336 8.488 5.541 1.860 1.00 0.00 C ATOM 354 C HIS A 336 9.090 6.684 1.053 1.00 0.00 C ATOM 355 O HIS A 336 8.769 6.866 -0.121 1.00 0.00 O ATOM 356 CB HIS A 336 6.963 5.534 1.698 1.00 0.00 C ATOM 357 CG HIS A 336 6.306 4.306 2.246 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.930 4.190 3.569 1.00 0.00 N ATOM 359 CD2 HIS A 336 5.959 3.140 1.653 1.00 0.00 C ATOM 360 CE1 HIS A 336 5.379 3.005 3.763 1.00 0.00 C ATOM 361 NE2 HIS A 336 5.385 2.349 2.617 1.00 0.00 N ATOM 0 H HIS A 336 8.351 6.358 3.785 1.00 0.00 H new ATOM 0 HA HIS A 336 8.890 4.603 1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.549 6.410 2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.718 5.625 0.640 1.00 0.00 H new ATOM 0 HD1 HIS A 336 6.057 4.906 4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 336 6.106 2.880 0.615 1.00 0.00 H new ATOM 0 HE1 HIS A 336 4.990 2.635 4.700 1.00 0.00 H new ATOM 368 N GLY A 337 9.966 7.453 1.691 1.00 0.00 N ATOM 369 CA GLY A 337 10.651 8.552 1.021 1.00 0.00 C ATOM 370 C GLY A 337 9.719 9.741 0.819 1.00 0.00 C ATOM 371 O GLY A 337 9.920 10.553 -0.084 1.00 0.00 O ATOM 0 H GLY A 337 10.218 7.335 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.514 8.859 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 337 11.028 8.214 0.056 1.00 0.00 H new ATOM 375 N VAL A 338 8.698 9.835 1.663 1.00 0.00 N ATOM 376 CA VAL A 338 7.717 10.910 1.563 1.00 0.00 C ATOM 377 C VAL A 338 7.974 11.990 2.605 1.00 0.00 C ATOM 378 O VAL A 338 7.974 11.719 3.806 1.00 0.00 O ATOM 379 CB VAL A 338 6.280 10.380 1.728 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.281 11.525 1.666 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.968 9.343 0.660 1.00 0.00 C ATOM 0 H VAL A 338 8.528 9.179 2.425 1.00 0.00 H new ATOM 0 HA VAL A 338 7.823 11.340 0.567 1.00 0.00 H new ATOM 0 HB VAL A 338 6.199 9.903 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.271 11.133 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.491 12.235 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.364 12.029 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.949 8.980 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 338 6.067 9.796 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.665 8.509 0.748 1.00 0.00 H new ATOM 391 N THR A 339 8.192 13.215 2.139 1.00 0.00 N ATOM 392 CA THR A 339 8.403 14.347 3.032 1.00 0.00 C ATOM 393 C THR A 339 7.153 15.213 3.129 1.00 0.00 C ATOM 394 O THR A 339 6.933 15.892 4.131 1.00 0.00 O ATOM 395 CB THR A 339 9.585 15.220 2.569 1.00 0.00 C ATOM 396 OG1 THR A 339 9.318 15.733 1.257 1.00 0.00 O ATOM 397 CG2 THR A 339 10.869 14.406 2.538 1.00 0.00 C ATOM 0 H THR A 339 8.227 13.449 1.147 1.00 0.00 H new ATOM 0 HA THR A 339 8.632 13.933 4.014 1.00 0.00 H new ATOM 0 HB THR A 339 9.706 16.044 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 339 10.070 16.290 0.964 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.693 15.039 2.209 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.082 14.024 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.754 13.571 1.847 1.00 0.00 H new ATOM 405 N ASP A 340 6.338 15.184 2.080 1.00 0.00 N ATOM 406 CA ASP A 340 5.081 15.923 2.068 1.00 0.00 C ATOM 407 C ASP A 340 3.964 15.123 2.724 1.00 0.00 C ATOM 408 O ASP A 340 3.090 14.584 2.043 1.00 0.00 O ATOM 409 CB ASP A 340 4.691 16.293 0.634 1.00 0.00 C ATOM 410 CG ASP A 340 3.488 17.220 0.529 1.00 0.00 C ATOM 411 OD1 ASP A 340 2.989 17.632 1.549 1.00 0.00 O ATOM 412 OD2 ASP A 340 3.176 17.634 -0.563 1.00 0.00 O1- ATOM 0 H ASP A 340 6.525 14.657 1.227 1.00 0.00 H new ATOM 0 HA ASP A 340 5.227 16.837 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.544 16.768 0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.479 15.378 0.081 1.00 0.00 H new ATOM 417 N LEU A 341 3.998 15.047 4.050 1.00 0.00 N ATOM 418 CA LEU A 341 2.987 14.313 4.801 1.00 0.00 C ATOM 419 C LEU A 341 1.617 14.965 4.667 1.00 0.00 C ATOM 420 O LEU A 341 0.602 14.281 4.540 1.00 0.00 O ATOM 421 CB LEU A 341 3.390 14.217 6.278 1.00 0.00 C ATOM 422 CG LEU A 341 2.389 13.486 7.182 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.194 12.056 6.697 1.00 0.00 C ATOM 424 CD2 LEU A 341 2.892 13.506 8.618 1.00 0.00 C ATOM 0 H LEU A 341 4.716 15.485 4.627 1.00 0.00 H new ATOM 0 HA LEU A 341 2.921 13.308 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.352 13.709 6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.535 15.226 6.665 1.00 0.00 H new ATOM 0 HG LEU A 341 1.425 13.993 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.482 11.546 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.812 12.067 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 341 3.148 11.530 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.181 12.987 9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 341 3.860 13.008 8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 341 2.996 14.538 8.953 1.00 0.00 H new ATOM 436 N ARG A 342 1.595 16.294 4.696 1.00 0.00 N ATOM 437 CA ARG A 342 0.345 17.041 4.634 1.00 0.00 C ATOM 438 C ARG A 342 -0.354 16.836 3.296 1.00 0.00 C ATOM 439 O ARG A 342 -1.581 16.783 3.228 1.00 0.00 O ATOM 440 CB ARG A 342 0.544 18.519 4.939 1.00 0.00 C ATOM 441 CG ARG A 342 0.837 18.838 6.396 1.00 0.00 C ATOM 442 CD ARG A 342 1.043 20.282 6.677 1.00 0.00 C ATOM 443 NE ARG A 342 1.287 20.594 8.076 1.00 0.00 N ATOM 444 CZ ARG A 342 1.510 21.834 8.556 1.00 0.00 C ATOM 445 NH1 ARG A 342 1.557 22.872 7.752 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 1.703 21.974 9.856 1.00 0.00 N ATOM 0 H ARG A 342 2.430 16.876 4.762 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.305 16.644 5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.365 18.894 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.352 19.061 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 342 0.011 18.475 7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 342 1.727 18.289 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 342 1.887 20.638 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 342 0.164 20.834 6.342 1.00 0.00 H new ATOM 0 HE ARG A 342 1.290 19.821 8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 342 1.424 22.746 6.749 1.00 0.00 H new ATOM 0 HH12 ARG A 342 1.727 23.804 8.131 1.00 0.00 H new ATOM 0 HH21 ARG A 342 1.681 21.157 10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 342 1.874 22.899 10.249 1.00 0.00 H new ATOM 460 N GLY A 343 0.437 16.723 2.233 1.00 0.00 N ATOM 461 CA GLY A 343 -0.099 16.442 0.907 1.00 0.00 C ATOM 462 C GLY A 343 -0.738 15.060 0.853 1.00 0.00 C ATOM 463 O GLY A 343 -1.757 14.861 0.190 1.00 0.00 O ATOM 0 H GLY A 343 1.452 16.822 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.838 17.198 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.700 16.505 0.168 1.00 0.00 H new ATOM 467 N MET A 344 -0.135 14.106 1.554 1.00 0.00 N ATOM 468 CA MET A 344 -0.662 12.749 1.615 1.00 0.00 C ATOM 469 C MET A 344 -1.918 12.685 2.476 1.00 0.00 C ATOM 470 O MET A 344 -2.861 11.959 2.162 1.00 0.00 O ATOM 471 CB MET A 344 0.398 11.793 2.156 1.00 0.00 C ATOM 472 CG MET A 344 1.600 11.602 1.240 1.00 0.00 C ATOM 473 SD MET A 344 1.149 10.897 -0.359 1.00 0.00 S ATOM 474 CE MET A 344 1.072 12.373 -1.369 1.00 0.00 C ATOM 0 H MET A 344 0.722 14.249 2.089 1.00 0.00 H new ATOM 0 HA MET A 344 -0.930 12.446 0.603 1.00 0.00 H new ATOM 0 HB2 MET A 344 0.746 12.164 3.120 1.00 0.00 H new ATOM 0 HB3 MET A 344 -0.064 10.822 2.336 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.090 12.563 1.084 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.325 10.951 1.729 1.00 0.00 H new ATOM 0 HE1 MET A 344 1.194 12.103 -2.418 1.00 0.00 H new ATOM 0 HE2 MET A 344 0.106 12.859 -1.230 1.00 0.00 H new ATOM 0 HE3 MET A 344 1.868 13.057 -1.075 1.00 0.00 H new ATOM 484 N LEU A 345 -1.923 13.448 3.563 1.00 0.00 N ATOM 485 CA LEU A 345 -3.076 13.505 4.454 1.00 0.00 C ATOM 486 C LEU A 345 -4.205 14.324 3.842 1.00 0.00 C ATOM 487 O LEU A 345 -5.364 14.195 4.238 1.00 0.00 O ATOM 488 CB LEU A 345 -2.668 14.090 5.812 1.00 0.00 C ATOM 489 CG LEU A 345 -1.678 13.241 6.619 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.306 13.956 7.909 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.296 11.882 6.914 1.00 0.00 C ATOM 0 H LEU A 345 -1.140 14.036 3.849 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.440 12.488 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.229 15.074 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.567 14.238 6.411 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.768 13.094 6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.603 13.344 8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.845 14.915 7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -2.203 14.122 8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.592 11.279 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -3.212 12.016 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.527 11.376 5.977 1.00 0.00 H new ATOM 503 N LYS A 346 -3.860 15.167 2.874 1.00 0.00 N ATOM 504 CA LYS A 346 -4.860 15.848 2.059 1.00 0.00 C ATOM 505 C LYS A 346 -5.529 14.883 1.089 1.00 0.00 C ATOM 506 O LYS A 346 -6.744 14.921 0.899 1.00 0.00 O ATOM 507 CB LYS A 346 -4.224 17.009 1.292 1.00 0.00 C ATOM 508 CG LYS A 346 -5.204 17.819 0.452 1.00 0.00 C ATOM 509 CD LYS A 346 -4.520 19.010 -0.199 1.00 0.00 C ATOM 510 CE LYS A 346 -5.493 19.810 -1.053 1.00 0.00 C ATOM 511 NZ LYS A 346 -4.835 20.974 -1.705 1.00 0.00 N1+ ATOM 0 H LYS A 346 -2.895 15.395 2.635 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.625 16.242 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.737 17.675 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -3.445 16.614 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.640 17.182 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -6.024 18.167 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -4.095 19.654 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -3.692 18.663 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -5.923 19.162 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -6.317 20.161 -0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -5.533 21.492 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -4.447 21.606 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -4.065 20.639 -2.318 1.00 0.00 H new ATOM 525 N ARG A 347 -4.728 14.018 0.476 1.00 0.00 N ATOM 526 CA ARG A 347 -5.252 12.960 -0.379 1.00 0.00 C ATOM 527 C ARG A 347 -6.076 11.961 0.423 1.00 0.00 C ATOM 528 O ARG A 347 -7.055 11.406 -0.076 1.00 0.00 O ATOM 529 CB ARG A 347 -4.156 12.267 -1.175 1.00 0.00 C ATOM 530 CG ARG A 347 -3.549 13.104 -2.290 1.00 0.00 C ATOM 531 CD ARG A 347 -2.489 12.412 -3.067 1.00 0.00 C ATOM 532 NE ARG A 347 -1.876 13.224 -4.106 1.00 0.00 N ATOM 533 CZ ARG A 347 -0.880 12.809 -4.912 1.00 0.00 C ATOM 534 NH1 ARG A 347 -0.356 11.611 -4.781 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -0.425 13.650 -5.825 1.00 0.00 N ATOM 0 H ARG A 347 -3.711 14.029 0.556 1.00 0.00 H new ATOM 0 HA ARG A 347 -5.914 13.434 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.362 11.970 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.563 11.353 -1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -4.342 13.409 -2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -3.132 14.014 -1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -1.712 12.077 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -2.916 11.520 -3.525 1.00 0.00 H new ATOM 0 HE ARG A 347 -2.225 14.174 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -0.703 10.979 -4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 347 0.398 11.314 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -0.828 14.584 -5.904 1.00 0.00 H new ATOM 0 HH22 ARG A 347 0.329 13.365 -6.450 1.00 0.00 H new ATOM 549 N LEU A 348 -5.673 11.736 1.670 1.00 0.00 N ATOM 550 CA LEU A 348 -6.422 10.870 2.572 1.00 0.00 C ATOM 551 C LEU A 348 -7.773 11.479 2.924 1.00 0.00 C ATOM 552 O LEU A 348 -8.804 10.809 2.851 1.00 0.00 O ATOM 553 CB LEU A 348 -5.609 10.602 3.846 1.00 0.00 C ATOM 554 CG LEU A 348 -6.311 9.735 4.897 1.00 0.00 C ATOM 555 CD1 LEU A 348 -6.699 8.392 4.293 1.00 0.00 C ATOM 556 CD2 LEU A 348 -5.392 9.542 6.094 1.00 0.00 C ATOM 0 H LEU A 348 -4.831 12.142 2.078 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.603 9.924 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -4.673 10.119 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -5.350 11.558 4.301 1.00 0.00 H new ATOM 0 HG LEU A 348 -7.221 10.234 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -7.197 7.784 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -7.375 8.552 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -5.803 7.877 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -5.892 8.925 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -4.474 9.050 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -5.150 10.512 6.527 1.00 0.00 H new ATOM 568 N LYS A 349 -7.762 12.750 3.307 1.00 0.00 N ATOM 569 CA LYS A 349 -8.990 13.459 3.648 1.00 0.00 C ATOM 570 C LYS A 349 -9.961 13.475 2.474 1.00 0.00 C ATOM 571 O LYS A 349 -10.638 12.511 2.243 1.00 0.00 O ATOM 572 CB LYS A 349 -8.679 14.889 4.091 1.00 0.00 C ATOM 573 CG LYS A 349 -9.894 15.688 4.540 1.00 0.00 C ATOM 574 CD LYS A 349 -9.496 17.066 5.046 1.00 0.00 C ATOM 575 CE LYS A 349 -10.713 17.872 5.478 1.00 0.00 C ATOM 576 NZ LYS A 349 -10.336 19.217 5.989 1.00 0.00 N1+ ATOM 0 H LYS A 349 -6.915 13.312 3.389 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.462 12.928 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -7.960 14.854 4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -8.198 15.415 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -10.591 15.791 3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -10.417 15.146 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -8.809 16.962 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -8.962 17.603 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -11.393 17.982 4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -11.252 17.327 6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -11.193 19.733 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -9.707 19.112 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -9.844 19.747 5.242 1.00 0.00 H new