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= -0.0555 X(o=-0.055,f=-0.16) USER MOD Single : A 327 SER OG : rot 78:sc= 0.739 USER MOD Single : A 329 TYR OH : rot 180:sc= 0 USER MOD Single : A 335 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 336 HIS : no HE2:sc= 0.732 K(o=0.73,f=-2.3!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl 159:sc= -0.322 (180deg=-0.848) 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 1.163 6.508 -0.254 1.00 0.00 N ATOM 29 CA VAL A 317 1.293 6.158 1.155 1.00 0.00 C ATOM 30 C VAL A 317 0.069 6.602 1.949 1.00 0.00 C ATOM 31 O VAL A 317 -0.219 6.063 3.017 1.00 0.00 O ATOM 32 CB VAL A 317 2.553 6.785 1.780 1.00 0.00 C ATOM 33 CG1 VAL A 317 2.372 8.285 1.951 1.00 0.00 C ATOM 34 CG2 VAL A 317 2.867 6.132 3.118 1.00 0.00 C ATOM 0 HA VAL A 317 1.378 5.072 1.201 1.00 0.00 H new ATOM 0 HB VAL A 317 3.393 6.612 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 317 3.272 8.712 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 317 2.194 8.743 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 317 1.520 8.477 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 317 3.760 6.588 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 317 2.027 6.274 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.039 5.066 2.971 1.00 0.00 H new ATOM 44 N TRP A 318 -0.645 7.588 1.419 1.00 0.00 N ATOM 45 CA TRP A 318 -1.842 8.104 2.074 1.00 0.00 C ATOM 46 C TRP A 318 -2.877 7.004 2.276 1.00 0.00 C ATOM 47 O TRP A 318 -3.712 7.081 3.177 1.00 0.00 O ATOM 48 CB TRP A 318 -2.445 9.248 1.258 1.00 0.00 C ATOM 49 CG TRP A 318 -2.885 8.838 -0.115 1.00 0.00 C ATOM 50 CD1 TRP A 318 -2.151 8.913 -1.261 1.00 0.00 C ATOM 51 CD2 TRP A 318 -4.155 8.289 -0.486 1.00 0.00 C ATOM 52 NE1 TRP A 318 -2.884 8.446 -2.324 1.00 0.00 N ATOM 53 CE2 TRP A 318 -4.120 8.056 -1.871 1.00 0.00 C ATOM 54 CE3 TRP A 318 -5.320 7.972 0.224 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -5.197 7.525 -2.563 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.399 7.439 -0.470 1.00 0.00 C ATOM 57 CH2 TRP A 318 -6.340 7.221 -1.823 1.00 0.00 C ATOM 0 H TRP A 318 -0.416 8.047 0.537 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.550 8.482 3.054 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.299 9.657 1.797 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.710 10.048 1.171 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -1.139 9.286 -1.324 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -2.563 8.397 -3.291 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.378 8.139 1.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -5.153 7.354 -3.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -7.303 7.191 0.067 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -7.199 6.804 -2.328 1.00 0.00 H new ATOM 68 N GLU A 319 -2.816 5.980 1.431 1.00 0.00 N ATOM 69 CA GLU A 319 -3.670 4.807 1.586 1.00 0.00 C ATOM 70 C GLU A 319 -3.341 4.052 2.867 1.00 0.00 C ATOM 71 O GLU A 319 -4.226 3.493 3.514 1.00 0.00 O ATOM 72 CB GLU A 319 -3.529 3.880 0.377 1.00 0.00 C ATOM 73 CG GLU A 319 -4.123 4.430 -0.911 1.00 0.00 C ATOM 74 CD GLU A 319 -3.883 3.498 -2.066 1.00 0.00 C ATOM 75 OE1 GLU A 319 -3.218 2.508 -1.878 1.00 0.00 O ATOM 76 OE2 GLU A 319 -4.456 3.715 -3.108 1.00 0.00 O1- ATOM 0 H GLU A 319 -2.184 5.938 0.631 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.702 5.151 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.471 3.673 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -4.009 2.929 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -5.194 4.585 -0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -3.684 5.404 -1.129 1.00 0.00 H new ATOM 83 N ILE A 320 -2.062 4.040 3.230 1.00 0.00 N ATOM 84 CA ILE A 320 -1.633 3.482 4.506 1.00 0.00 C ATOM 85 C ILE A 320 -1.965 4.422 5.657 1.00 0.00 C ATOM 86 O ILE A 320 -2.414 3.988 6.717 1.00 0.00 O ATOM 87 CB ILE A 320 -0.122 3.188 4.514 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.212 2.079 3.514 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.337 2.803 5.913 1.00 0.00 C ATOM 90 CD1 ILE A 320 1.692 1.919 3.250 1.00 0.00 C ATOM 0 H ILE A 320 -1.304 4.411 2.657 1.00 0.00 H new ATOM 0 HA ILE A 320 -2.176 2.546 4.638 1.00 0.00 H new ATOM 0 HB ILE A 320 0.408 4.092 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 320 -0.185 1.135 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 320 -0.295 2.288 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.408 2.598 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.132 3.623 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 320 -0.199 1.912 6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 320 1.849 1.114 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 320 2.092 2.849 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 320 2.204 1.678 4.182 1.00 0.00 H new ATOM 102 N LEU A 321 -1.739 5.714 5.443 1.00 0.00 N ATOM 103 CA LEU A 321 -1.901 6.707 6.500 1.00 0.00 C ATOM 104 C LEU A 321 -3.343 6.762 6.986 1.00 0.00 C ATOM 105 O LEU A 321 -3.602 7.012 8.164 1.00 0.00 O ATOM 106 CB LEU A 321 -1.450 8.087 6.005 1.00 0.00 C ATOM 107 CG LEU A 321 0.042 8.206 5.672 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.338 9.579 5.084 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.864 7.967 6.929 1.00 0.00 C ATOM 0 H LEU A 321 -1.443 6.099 4.546 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.274 6.412 7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -2.026 8.342 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -1.696 8.827 6.767 1.00 0.00 H new ATOM 0 HG LEU A 321 0.311 7.454 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.400 9.654 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 321 -0.244 9.718 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 321 0.070 10.350 5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 321 1.925 8.052 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.600 8.709 7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 321 0.657 6.969 7.315 1.00 0.00 H new ATOM 121 N ARG A 322 -4.280 6.529 6.074 1.00 0.00 N ATOM 122 CA ARG A 322 -5.699 6.556 6.407 1.00 0.00 C ATOM 123 C ARG A 322 -6.008 5.629 7.576 1.00 0.00 C ATOM 124 O ARG A 322 -6.785 5.975 8.467 1.00 0.00 O ATOM 125 CB ARG A 322 -6.578 6.247 5.204 1.00 0.00 C ATOM 126 CG ARG A 322 -8.073 6.341 5.463 1.00 0.00 C ATOM 127 CD ARG A 322 -8.920 6.065 4.275 1.00 0.00 C ATOM 128 NE ARG A 322 -9.060 7.188 3.361 1.00 0.00 N ATOM 129 CZ ARG A 322 -9.422 7.081 2.067 1.00 0.00 C ATOM 130 NH1 ARG A 322 -9.646 5.906 1.522 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -9.524 8.189 1.354 1.00 0.00 N ATOM 0 H ARG A 322 -4.082 6.319 5.096 1.00 0.00 H new ATOM 0 HA ARG A 322 -5.936 7.574 6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.320 6.934 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -6.347 5.241 4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -8.337 5.639 6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -8.303 7.340 5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.497 5.220 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -9.911 5.762 4.613 1.00 0.00 H new ATOM 0 HE ARG A 322 -8.871 8.122 3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -9.547 5.058 2.080 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -9.919 5.842 0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -9.331 9.093 1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -9.796 8.140 0.372 1.00 0.00 H new ATOM 145 N GLN A 323 -5.395 4.450 7.567 1.00 0.00 N ATOM 146 CA GLN A 323 -5.675 3.434 8.575 1.00 0.00 C ATOM 147 C GLN A 323 -4.593 3.408 9.647 1.00 0.00 C ATOM 148 O GLN A 323 -4.603 2.554 10.533 1.00 0.00 O ATOM 149 CB GLN A 323 -5.791 2.053 7.925 1.00 0.00 C ATOM 150 CG GLN A 323 -6.894 1.944 6.887 1.00 0.00 C ATOM 151 CD GLN A 323 -8.271 2.175 7.478 1.00 0.00 C ATOM 152 OE1 GLN A 323 -8.615 1.615 8.523 1.00 0.00 O ATOM 153 NE2 GLN A 323 -9.070 3.000 6.811 1.00 0.00 N ATOM 0 H GLN A 323 -4.701 4.174 6.872 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.623 3.689 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -4.840 1.804 7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -5.966 1.311 8.704 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -6.716 2.670 6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -6.860 0.956 6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -8.744 3.441 5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -10.009 3.192 7.159 1.00 0.00 H new ATOM 162 N ALA A 324 -3.660 4.351 9.561 1.00 0.00 N ATOM 163 CA ALA A 324 -2.531 4.398 10.483 1.00 0.00 C ATOM 164 C ALA A 324 -2.800 5.359 11.633 1.00 0.00 C ATOM 165 O ALA A 324 -3.534 6.335 11.481 1.00 0.00 O ATOM 166 CB ALA A 324 -1.260 4.791 9.744 1.00 0.00 C ATOM 0 H ALA A 324 -3.664 5.093 8.862 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.397 3.402 10.904 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.426 4.822 10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -1.051 4.059 8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -1.391 5.774 9.293 1.00 0.00 H new ATOM 172 N PRO A 325 -2.200 5.078 12.786 1.00 0.00 N ATOM 173 CA PRO A 325 -2.264 5.986 13.924 1.00 0.00 C ATOM 174 C PRO A 325 -1.659 7.342 13.582 1.00 0.00 C ATOM 175 O PRO A 325 -0.776 7.442 12.731 1.00 0.00 O ATOM 176 CB PRO A 325 -1.475 5.265 15.023 1.00 0.00 C ATOM 177 CG PRO A 325 -1.448 3.840 14.585 1.00 0.00 C ATOM 178 CD PRO A 325 -1.386 3.884 13.081 1.00 0.00 C ATOM 0 HA PRO A 325 -3.286 6.204 14.233 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -0.468 5.670 15.120 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -1.957 5.373 15.995 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -0.585 3.318 14.999 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -2.336 3.307 14.926 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.364 3.984 12.716 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.800 2.983 12.627 1.00 0.00 H new ATOM 186 N PRO A 326 -2.142 8.385 14.250 1.00 0.00 N ATOM 187 CA PRO A 326 -1.690 9.743 13.979 1.00 0.00 C ATOM 188 C PRO A 326 -0.228 9.925 14.368 1.00 0.00 C ATOM 189 O PRO A 326 0.461 10.800 13.842 1.00 0.00 O ATOM 190 CB PRO A 326 -2.622 10.622 14.819 1.00 0.00 C ATOM 191 CG PRO A 326 -3.133 9.712 15.883 1.00 0.00 C ATOM 192 CD PRO A 326 -3.245 8.359 15.231 1.00 0.00 C ATOM 0 HA PRO A 326 -1.734 9.999 12.920 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -2.089 11.472 15.246 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -3.436 11.026 14.217 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -2.454 9.683 16.735 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.100 10.049 16.258 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.128 7.550 15.952 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.213 8.219 14.750 1.00 0.00 H new ATOM 200 N SER A 327 0.242 9.093 15.292 1.00 0.00 N ATOM 201 CA SER A 327 1.619 9.170 15.763 1.00 0.00 C ATOM 202 C SER A 327 2.579 8.531 14.767 1.00 0.00 C ATOM 203 O SER A 327 3.783 8.783 14.803 1.00 0.00 O ATOM 204 CB SER A 327 1.744 8.504 17.119 1.00 0.00 C ATOM 205 OG SER A 327 1.524 7.121 17.049 1.00 0.00 O ATOM 0 H SER A 327 -0.312 8.357 15.730 1.00 0.00 H new ATOM 0 HA SER A 327 1.887 10.222 15.858 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.738 8.693 17.525 1.00 0.00 H new ATOM 0 HB3 SER A 327 1.028 8.950 17.809 1.00 0.00 H new ATOM 0 HG SER A 327 2.324 6.680 16.693 1.00 0.00 H new ATOM 211 N GLU A 328 2.038 7.704 13.879 1.00 0.00 N ATOM 212 CA GLU A 328 2.858 6.920 12.964 1.00 0.00 C ATOM 213 C GLU A 328 2.906 7.557 11.582 1.00 0.00 C ATOM 214 O GLU A 328 3.548 7.037 10.669 1.00 0.00 O ATOM 215 CB GLU A 328 2.329 5.487 12.865 1.00 0.00 C ATOM 216 CG GLU A 328 2.247 4.753 14.195 1.00 0.00 C ATOM 217 CD GLU A 328 3.549 4.829 14.943 1.00 0.00 C ATOM 218 OE1 GLU A 328 4.555 4.464 14.384 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.557 5.356 16.030 1.00 0.00 O1- ATOM 0 H GLU A 328 1.034 7.559 13.774 1.00 0.00 H new ATOM 0 HA GLU A 328 3.872 6.897 13.363 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.337 5.510 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 328 2.972 4.921 12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.451 5.184 14.802 1.00 0.00 H new ATOM 0 HG3 GLU A 328 1.986 3.709 14.021 1.00 0.00 H new ATOM 226 N TYR A 329 2.221 8.686 11.433 1.00 0.00 N ATOM 227 CA TYR A 329 2.123 9.358 10.143 1.00 0.00 C ATOM 228 C TYR A 329 3.501 9.701 9.593 1.00 0.00 C ATOM 229 O TYR A 329 3.823 9.373 8.451 1.00 0.00 O ATOM 230 CB TYR A 329 1.275 10.626 10.263 1.00 0.00 C ATOM 231 CG TYR A 329 -0.214 10.366 10.327 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.724 9.093 10.114 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.104 11.393 10.600 1.00 0.00 C ATOM 234 CE1 TYR A 329 -2.083 8.850 10.171 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.465 11.161 10.660 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.950 9.888 10.444 1.00 0.00 C ATOM 237 OH TYR A 329 -4.305 9.651 10.503 1.00 0.00 O ATOM 0 H TYR A 329 1.725 9.155 12.191 1.00 0.00 H new ATOM 0 HA TYR A 329 1.640 8.672 9.447 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.577 11.170 11.158 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.484 11.273 9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 329 -0.047 8.279 9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -0.728 12.391 10.769 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -2.464 7.854 10.003 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.145 11.972 10.875 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.775 10.487 10.706 1.00 0.00 H new ATOM 247 N GLU A 330 4.312 10.361 10.413 1.00 0.00 N ATOM 248 CA GLU A 330 5.647 10.775 10.000 1.00 0.00 C ATOM 249 C GLU A 330 6.561 9.572 9.804 1.00 0.00 C ATOM 250 O GLU A 330 7.307 9.499 8.828 1.00 0.00 O ATOM 251 CB GLU A 330 6.253 11.734 11.028 1.00 0.00 C ATOM 252 CG GLU A 330 5.603 13.110 11.065 1.00 0.00 C ATOM 253 CD GLU A 330 6.160 13.948 12.181 1.00 0.00 C ATOM 254 OE1 GLU A 330 6.960 13.445 12.934 1.00 0.00 O ATOM 255 OE2 GLU A 330 5.873 15.121 12.218 1.00 0.00 O1- ATOM 0 H GLU A 330 4.067 10.621 11.369 1.00 0.00 H new ATOM 0 HA GLU A 330 5.555 11.292 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 330 6.176 11.283 12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 330 7.315 11.853 10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 330 5.763 13.616 10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 330 4.526 13.002 11.191 1.00 0.00 H new ATOM 262 N ARG A 331 6.498 8.630 10.739 1.00 0.00 N ATOM 263 CA ARG A 331 7.396 7.481 10.730 1.00 0.00 C ATOM 264 C ARG A 331 7.151 6.600 9.512 1.00 0.00 C ATOM 265 O ARG A 331 8.088 6.051 8.932 1.00 0.00 O ATOM 266 CB ARG A 331 7.317 6.681 12.022 1.00 0.00 C ATOM 267 CG ARG A 331 7.937 7.358 13.233 1.00 0.00 C ATOM 268 CD ARG A 331 7.820 6.583 14.495 1.00 0.00 C ATOM 269 NE ARG A 331 8.451 7.208 15.647 1.00 0.00 N ATOM 270 CZ ARG A 331 8.430 6.705 16.897 1.00 0.00 C ATOM 271 NH1 ARG A 331 7.782 5.594 17.169 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 9.059 7.372 17.848 1.00 0.00 N ATOM 0 H ARG A 331 5.834 8.640 11.513 1.00 0.00 H new ATOM 0 HA ARG A 331 8.412 7.869 10.662 1.00 0.00 H new ATOM 0 HB2 ARG A 331 6.270 6.470 12.238 1.00 0.00 H new ATOM 0 HB3 ARG A 331 7.810 5.721 11.869 1.00 0.00 H new ATOM 0 HG2 ARG A 331 8.992 7.543 13.031 1.00 0.00 H new ATOM 0 HG3 ARG A 331 7.464 8.330 13.373 1.00 0.00 H new ATOM 0 HD2 ARG A 331 6.764 6.428 14.715 1.00 0.00 H new ATOM 0 HD3 ARG A 331 8.262 5.598 14.344 1.00 0.00 H new ATOM 0 HE ARG A 331 8.944 8.089 15.498 1.00 0.00 H new ATOM 0 HH11 ARG A 331 7.285 5.099 16.428 1.00 0.00 H new ATOM 0 HH12 ARG A 331 7.776 5.227 18.121 1.00 0.00 H new ATOM 0 HH21 ARG A 331 9.543 8.242 17.626 1.00 0.00 H new ATOM 0 HH22 ARG A 331 9.061 7.017 18.804 1.00 0.00 H new ATOM 286 N ILE A 332 5.886 6.468 9.128 1.00 0.00 N ATOM 287 CA ILE A 332 5.520 5.704 7.942 1.00 0.00 C ATOM 288 C ILE A 332 5.939 6.428 6.669 1.00 0.00 C ATOM 289 O ILE A 332 6.572 5.844 5.790 1.00 0.00 O ATOM 290 CB ILE A 332 4.007 5.428 7.891 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.601 4.465 9.010 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.614 4.868 6.533 1.00 0.00 C ATOM 293 CD1 ILE A 332 2.107 4.354 9.209 1.00 0.00 C ATOM 0 H ILE A 332 5.095 6.881 9.622 1.00 0.00 H new ATOM 0 HA ILE A 332 6.050 4.753 8.006 1.00 0.00 H new ATOM 0 HB ILE A 332 3.478 6.369 8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 332 4.003 3.476 8.789 1.00 0.00 H new ATOM 0 HG13 ILE A 332 4.059 4.794 9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.541 4.679 6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.869 5.588 5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 332 4.150 3.936 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 332 1.899 3.654 10.018 1.00 0.00 H new ATOM 0 HD12 ILE A 332 1.700 5.333 9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 332 1.643 3.995 8.290 1.00 0.00 H new ATOM 305 N ALA A 333 5.580 7.704 6.576 1.00 0.00 N ATOM 306 CA ALA A 333 5.856 8.492 5.381 1.00 0.00 C ATOM 307 C ALA A 333 7.339 8.474 5.037 1.00 0.00 C ATOM 308 O ALA A 333 7.716 8.343 3.873 1.00 0.00 O ATOM 309 CB ALA A 333 5.367 9.922 5.564 1.00 0.00 C ATOM 0 H ALA A 333 5.097 8.215 7.315 1.00 0.00 H new ATOM 0 HA ALA A 333 5.316 8.041 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 333 5.580 10.498 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.292 9.919 5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 333 5.878 10.375 6.414 1.00 0.00 H new ATOM 315 N PHE A 334 8.179 8.608 6.059 1.00 0.00 N ATOM 316 CA PHE A 334 9.619 8.711 5.858 1.00 0.00 C ATOM 317 C PHE A 334 10.190 7.419 5.287 1.00 0.00 C ATOM 318 O PHE A 334 11.165 7.439 4.535 1.00 0.00 O ATOM 319 CB PHE A 334 10.319 9.058 7.174 1.00 0.00 C ATOM 320 CG PHE A 334 9.973 10.422 7.703 1.00 0.00 C ATOM 321 CD1 PHE A 334 9.361 11.362 6.887 1.00 0.00 C ATOM 322 CD2 PHE A 334 10.258 10.766 9.016 1.00 0.00 C ATOM 323 CE1 PHE A 334 9.043 12.617 7.373 1.00 0.00 C ATOM 324 CE2 PHE A 334 9.940 12.018 9.504 1.00 0.00 C ATOM 325 CZ PHE A 334 9.331 12.944 8.680 1.00 0.00 C ATOM 0 H PHE A 334 7.886 8.648 7.035 1.00 0.00 H new ATOM 0 HA PHE A 334 9.799 9.510 5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 334 10.056 8.311 7.923 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.398 8.998 7.028 1.00 0.00 H new ATOM 0 HD1 PHE A 334 9.131 11.111 5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 334 10.734 10.046 9.665 1.00 0.00 H new ATOM 0 HE1 PHE A 334 8.569 13.341 6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 334 10.167 12.273 10.529 1.00 0.00 H new ATOM 0 HZ PHE A 334 9.081 13.924 9.060 1.00 0.00 H new ATOM 335 N GLN A 335 9.577 6.297 5.647 1.00 0.00 N ATOM 336 CA GLN A 335 10.017 4.994 5.165 1.00 0.00 C ATOM 337 C GLN A 335 9.677 4.809 3.691 1.00 0.00 C ATOM 338 O GLN A 335 10.248 3.955 3.013 1.00 0.00 O ATOM 339 CB GLN A 335 9.378 3.872 5.987 1.00 0.00 C ATOM 340 CG GLN A 335 9.912 3.758 7.404 1.00 0.00 C ATOM 341 CD GLN A 335 9.228 2.658 8.194 1.00 0.00 C ATOM 342 OE1 GLN A 335 8.361 1.950 7.675 1.00 0.00 O ATOM 343 NE2 GLN A 335 9.612 2.510 9.456 1.00 0.00 N ATOM 0 H GLN A 335 8.772 6.264 6.273 1.00 0.00 H new ATOM 0 HA GLN A 335 11.100 4.948 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.301 4.035 6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 335 9.537 2.924 5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 335 10.984 3.565 7.371 1.00 0.00 H new ATOM 0 HG3 GLN A 335 9.776 4.709 7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 335 10.333 3.118 9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 335 9.186 1.788 10.037 1.00 0.00 H new ATOM 352 N HIS A 336 8.741 5.615 3.199 1.00 0.00 N ATOM 353 CA HIS A 336 8.343 5.563 1.798 1.00 0.00 C ATOM 354 C HIS A 336 8.971 6.701 1.004 1.00 0.00 C ATOM 355 O HIS A 336 8.666 6.891 -0.174 1.00 0.00 O ATOM 356 CB HIS A 336 6.818 5.610 1.666 1.00 0.00 C ATOM 357 CG HIS A 336 6.131 4.384 2.181 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.748 4.244 3.499 1.00 0.00 N ATOM 359 CD2 HIS A 336 5.759 3.242 1.557 1.00 0.00 C ATOM 360 CE1 HIS A 336 5.168 3.068 3.662 1.00 0.00 C ATOM 361 NE2 HIS A 336 5.163 2.440 2.501 1.00 0.00 N ATOM 0 H HIS A 336 8.244 6.313 3.752 1.00 0.00 H new ATOM 0 HA HIS A 336 8.703 4.620 1.388 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.442 6.480 2.205 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.557 5.748 0.617 1.00 0.00 H new ATOM 0 HD1 HIS A 336 5.890 4.939 4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 336 5.903 3.005 0.513 1.00 0.00 H new ATOM 0 HE1 HIS A 336 4.766 2.685 4.588 1.00 0.00 H new ATOM 368 N GLY A 337 9.848 7.458 1.656 1.00 0.00 N ATOM 369 CA GLY A 337 10.545 8.558 1.002 1.00 0.00 C ATOM 370 C GLY A 337 9.624 9.755 0.806 1.00 0.00 C ATOM 371 O GLY A 337 9.850 10.587 -0.073 1.00 0.00 O ATOM 0 H GLY A 337 10.092 7.329 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.407 8.853 1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 337 10.926 8.227 0.036 1.00 0.00 H new ATOM 375 N VAL A 338 8.585 9.837 1.630 1.00 0.00 N ATOM 376 CA VAL A 338 7.613 10.920 1.534 1.00 0.00 C ATOM 377 C VAL A 338 7.890 12.002 2.569 1.00 0.00 C ATOM 378 O VAL A 338 7.809 11.759 3.773 1.00 0.00 O ATOM 379 CB VAL A 338 6.173 10.405 1.717 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.184 11.560 1.665 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.838 9.370 0.653 1.00 0.00 C ATOM 0 H VAL A 338 8.394 9.165 2.373 1.00 0.00 H new ATOM 0 HA VAL A 338 7.713 11.344 0.535 1.00 0.00 H new ATOM 0 HB VAL A 338 6.099 9.930 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.171 11.178 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.410 12.269 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.261 12.061 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.817 9.017 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 338 5.930 9.821 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.527 8.529 0.733 1.00 0.00 H new ATOM 391 N THR A 339 8.219 13.198 2.093 1.00 0.00 N ATOM 392 CA THR A 339 8.478 14.330 2.975 1.00 0.00 C ATOM 393 C THR A 339 7.248 15.217 3.110 1.00 0.00 C ATOM 394 O THR A 339 7.054 15.875 4.131 1.00 0.00 O ATOM 395 CB THR A 339 9.659 15.181 2.472 1.00 0.00 C ATOM 396 OG1 THR A 339 9.357 15.698 1.169 1.00 0.00 O ATOM 397 CG2 THR A 339 10.927 14.344 2.401 1.00 0.00 C ATOM 0 H THR A 339 8.313 13.409 1.099 1.00 0.00 H new ATOM 0 HA THR A 339 8.731 13.915 3.950 1.00 0.00 H new ATOM 0 HB THR A 339 9.818 16.004 3.169 1.00 0.00 H new ATOM 0 HG1 THR A 339 10.108 16.241 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.751 14.962 2.044 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.165 13.960 3.393 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.775 13.510 1.716 1.00 0.00 H new ATOM 405 N ASP A 340 6.417 15.228 2.072 1.00 0.00 N ATOM 406 CA ASP A 340 5.168 15.982 2.099 1.00 0.00 C ATOM 407 C ASP A 340 4.052 15.174 2.748 1.00 0.00 C ATOM 408 O ASP A 340 3.169 14.656 2.064 1.00 0.00 O ATOM 409 CB ASP A 340 4.762 16.397 0.682 1.00 0.00 C ATOM 410 CG ASP A 340 3.558 17.327 0.621 1.00 0.00 C ATOM 411 OD1 ASP A 340 3.071 17.706 1.660 1.00 0.00 O ATOM 412 OD2 ASP A 340 3.234 17.775 -0.452 1.00 0.00 O1- ATOM 0 H ASP A 340 6.586 14.723 1.202 1.00 0.00 H new ATOM 0 HA ASP A 340 5.332 16.879 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.609 16.887 0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.543 15.500 0.102 1.00 0.00 H new ATOM 417 N LEU A 341 4.096 15.070 4.072 1.00 0.00 N ATOM 418 CA LEU A 341 3.088 14.323 4.816 1.00 0.00 C ATOM 419 C LEU A 341 1.707 14.940 4.642 1.00 0.00 C ATOM 420 O LEU A 341 0.728 14.235 4.398 1.00 0.00 O ATOM 421 CB LEU A 341 3.464 14.262 6.302 1.00 0.00 C ATOM 422 CG LEU A 341 2.444 13.555 7.203 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.276 12.106 6.765 1.00 0.00 C ATOM 424 CD2 LEU A 341 2.908 13.629 8.651 1.00 0.00 C ATOM 0 H LEU A 341 4.820 15.494 4.653 1.00 0.00 H new ATOM 0 HA LEU A 341 3.054 13.309 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.424 13.754 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.604 15.279 6.667 1.00 0.00 H new ATOM 0 HG LEU A 341 1.478 14.052 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.550 11.613 7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.924 12.076 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 341 3.234 11.591 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.183 13.127 9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 341 3.878 13.141 8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 341 2.996 14.673 8.952 1.00 0.00 H new ATOM 436 N ARG A 342 1.634 16.260 4.773 1.00 0.00 N ATOM 437 CA ARG A 342 0.360 16.967 4.703 1.00 0.00 C ATOM 438 C ARG A 342 -0.305 16.771 3.347 1.00 0.00 C ATOM 439 O ARG A 342 -1.523 16.614 3.260 1.00 0.00 O ATOM 440 CB ARG A 342 0.503 18.443 5.045 1.00 0.00 C ATOM 441 CG ARG A 342 0.767 18.736 6.512 1.00 0.00 C ATOM 442 CD ARG A 342 0.943 20.177 6.827 1.00 0.00 C ATOM 443 NE ARG A 342 1.183 20.463 8.232 1.00 0.00 N ATOM 444 CZ ARG A 342 1.418 21.691 8.734 1.00 0.00 C ATOM 445 NH1 ARG A 342 1.483 22.743 7.948 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 1.605 21.807 10.037 1.00 0.00 N ATOM 0 H ARG A 342 2.442 16.862 4.928 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.291 16.530 5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.318 18.861 4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.408 18.961 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -0.062 18.346 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 342 1.662 18.197 6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 342 1.778 20.564 6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 342 0.052 20.717 6.506 1.00 0.00 H new ATOM 0 HE ARG A 342 1.173 19.679 8.884 1.00 0.00 H new ATOM 0 HH11 ARG A 342 1.355 22.636 6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 342 1.662 23.666 8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 342 1.569 20.980 10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 342 1.785 22.724 10.447 1.00 0.00 H new ATOM 460 N GLY A 343 0.501 16.781 2.291 1.00 0.00 N ATOM 461 CA GLY A 343 0.005 16.515 0.945 1.00 0.00 C ATOM 462 C GLY A 343 -0.684 15.158 0.871 1.00 0.00 C ATOM 463 O GLY A 343 -1.701 15.004 0.195 1.00 0.00 O ATOM 0 H GLY A 343 1.502 16.971 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.694 17.298 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.833 16.545 0.237 1.00 0.00 H new ATOM 467 N MET A 344 -0.122 14.177 1.568 1.00 0.00 N ATOM 468 CA MET A 344 -0.695 12.835 1.601 1.00 0.00 C ATOM 469 C MET A 344 -1.933 12.788 2.486 1.00 0.00 C ATOM 470 O MET A 344 -2.901 12.090 2.180 1.00 0.00 O ATOM 471 CB MET A 344 0.345 11.829 2.092 1.00 0.00 C ATOM 472 CG MET A 344 1.531 11.644 1.156 1.00 0.00 C ATOM 473 SD MET A 344 1.050 10.998 -0.458 1.00 0.00 S ATOM 474 CE MET A 344 1.006 12.503 -1.426 1.00 0.00 C ATOM 0 H MET A 344 0.730 14.285 2.118 1.00 0.00 H new ATOM 0 HA MET A 344 -0.995 12.570 0.587 1.00 0.00 H new ATOM 0 HB2 MET A 344 0.713 12.151 3.066 1.00 0.00 H new ATOM 0 HB3 MET A 344 -0.141 10.864 2.238 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.037 12.600 1.024 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.249 10.964 1.616 1.00 0.00 H new ATOM 0 HE1 MET A 344 1.096 12.258 -2.484 1.00 0.00 H new ATOM 0 HE2 MET A 344 0.062 13.020 -1.252 1.00 0.00 H new ATOM 0 HE3 MET A 344 1.833 13.149 -1.132 1.00 0.00 H new ATOM 484 N LEU A 345 -1.897 13.533 3.587 1.00 0.00 N ATOM 485 CA LEU A 345 -3.014 13.571 4.523 1.00 0.00 C ATOM 486 C LEU A 345 -4.251 14.185 3.881 1.00 0.00 C ATOM 487 O LEU A 345 -5.379 13.866 4.255 1.00 0.00 O ATOM 488 CB LEU A 345 -2.622 14.353 5.784 1.00 0.00 C ATOM 489 CG LEU A 345 -1.525 13.707 6.638 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.145 14.633 7.786 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.015 12.367 7.167 1.00 0.00 C ATOM 0 H LEU A 345 -1.105 14.119 3.852 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.256 12.546 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.290 15.348 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.511 14.485 6.401 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.639 13.540 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.365 14.166 8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.777 15.578 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -2.020 14.819 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.235 11.908 7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -2.906 12.520 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.256 11.712 6.330 1.00 0.00 H new ATOM 503 N LYS A 346 -4.033 15.067 2.912 1.00 0.00 N ATOM 504 CA LYS A 346 -5.129 15.679 2.171 1.00 0.00 C ATOM 505 C LYS A 346 -5.765 14.684 1.210 1.00 0.00 C ATOM 506 O LYS A 346 -6.930 14.825 0.836 1.00 0.00 O ATOM 507 CB LYS A 346 -4.638 16.909 1.406 1.00 0.00 C ATOM 508 CG LYS A 346 -4.305 18.106 2.286 1.00 0.00 C ATOM 509 CD LYS A 346 -3.813 19.283 1.458 1.00 0.00 C ATOM 510 CE LYS A 346 -3.477 20.478 2.337 1.00 0.00 C ATOM 511 NZ LYS A 346 -2.976 21.632 1.541 1.00 0.00 N1+ ATOM 0 H LYS A 346 -3.105 15.375 2.621 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.886 15.990 2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.751 16.636 0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.402 17.204 0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.189 18.401 2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -3.542 17.825 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -2.931 18.987 0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.577 19.565 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.364 20.779 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -2.724 20.189 3.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -2.759 22.425 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -2.115 21.353 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.704 21.925 0.859 1.00 0.00 H new ATOM 525 N ARG A 347 -4.996 13.678 0.812 1.00 0.00 N ATOM 526 CA ARG A 347 -5.450 12.710 -0.181 1.00 0.00 C ATOM 527 C ARG A 347 -6.278 11.606 0.464 1.00 0.00 C ATOM 528 O ARG A 347 -7.213 11.084 -0.143 1.00 0.00 O ATOM 529 CB ARG A 347 -4.298 12.140 -0.995 1.00 0.00 C ATOM 530 CG ARG A 347 -3.583 13.146 -1.884 1.00 0.00 C ATOM 531 CD ARG A 347 -2.522 12.559 -2.742 1.00 0.00 C ATOM 532 NE ARG A 347 -3.008 11.647 -3.764 1.00 0.00 N ATOM 533 CZ ARG A 347 -2.221 10.892 -4.553 1.00 0.00 C ATOM 534 NH1 ARG A 347 -0.910 10.964 -4.470 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -2.799 10.093 -5.434 1.00 0.00 N ATOM 0 H ARG A 347 -4.053 13.510 1.162 1.00 0.00 H new ATOM 0 HA ARG A 347 -6.094 13.245 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.572 11.700 -0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.678 11.331 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -4.318 13.637 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -3.140 13.918 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -1.975 13.368 -3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -1.812 12.028 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 347 -4.017 11.574 -3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -0.475 11.599 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 347 -0.328 10.385 -5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -3.816 10.060 -5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 347 -2.228 9.509 -6.045 1.00 0.00 H new ATOM 549 N LEU A 348 -5.928 11.255 1.696 1.00 0.00 N ATOM 550 CA LEU A 348 -6.676 10.254 2.448 1.00 0.00 C ATOM 551 C LEU A 348 -7.953 10.844 3.034 1.00 0.00 C ATOM 552 O LEU A 348 -8.906 10.121 3.323 1.00 0.00 O ATOM 553 CB LEU A 348 -5.800 9.665 3.562 1.00 0.00 C ATOM 554 CG LEU A 348 -5.639 10.552 4.803 1.00 0.00 C ATOM 555 CD1 LEU A 348 -6.823 10.360 5.739 1.00 0.00 C ATOM 556 CD2 LEU A 348 -4.334 10.208 5.506 1.00 0.00 C ATOM 0 H LEU A 348 -5.131 11.649 2.196 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.960 9.457 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -6.225 8.710 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -4.811 9.457 3.153 1.00 0.00 H new ATOM 0 HG LEU A 348 -5.610 11.599 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -6.699 10.994 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -7.743 10.632 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -6.876 9.317 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -4.219 10.838 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -4.348 9.161 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -3.499 10.379 4.827 1.00 0.00 H new ATOM 568 N LYS A 349 -7.964 12.161 3.208 1.00 0.00 N ATOM 569 CA LYS A 349 -9.130 12.853 3.746 1.00 0.00 C ATOM 570 C LYS A 349 -10.088 13.262 2.635 1.00 0.00 C ATOM 571 O LYS A 349 -10.843 12.456 2.168 1.00 0.00 O ATOM 572 CB LYS A 349 -8.700 14.082 4.549 1.00 0.00 C ATOM 573 CG LYS A 349 -9.849 14.844 5.196 1.00 0.00 C ATOM 574 CD LYS A 349 -9.342 16.030 6.001 1.00 0.00 C ATOM 575 CE LYS A 349 -10.490 16.803 6.633 1.00 0.00 C ATOM 576 NZ LYS A 349 -10.007 17.942 7.460 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.178 12.771 2.984 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.652 12.162 4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -8.005 13.767 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -8.156 14.759 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -10.537 15.192 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -10.412 14.174 5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -8.665 15.680 6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -8.768 16.693 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -11.149 17.178 5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -11.082 16.130 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -10.821 18.442 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -9.398 17.583 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -9.464 18.598 6.864 1.00 0.00 H new