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=-0.89) USER MOD Single : A 327 SER OG : rot 180:sc= 0 USER MOD Single : A 329 TYR OH : rot -38:sc= 0.931 USER MOD Single : A 335 GLN : amide:sc= -0.0766 X(o=-0.077,f=-0.22) USER MOD Single : A 336 HIS : no HE2:sc= 0.744 K(o=0.74,f=-2.5!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl 162:sc= 0 (180deg=-0.539) 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 1.919 5.682 0.751 1.00 0.00 N ATOM 29 CA VAL A 317 1.723 6.489 1.949 1.00 0.00 C ATOM 30 C VAL A 317 0.259 6.868 2.125 1.00 0.00 C ATOM 31 O VAL A 317 -0.313 6.696 3.201 1.00 0.00 O ATOM 32 CB VAL A 317 2.575 7.772 1.912 1.00 0.00 C ATOM 33 CG1 VAL A 317 2.237 8.670 3.092 1.00 0.00 C ATOM 34 CG2 VAL A 317 4.057 7.428 1.913 1.00 0.00 C ATOM 0 HA VAL A 317 2.040 5.878 2.794 1.00 0.00 H new ATOM 0 HB VAL A 317 2.347 8.310 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 317 2.848 9.572 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 317 1.183 8.944 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 317 2.437 8.139 4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 317 4.644 8.346 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 317 4.300 6.868 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 317 4.291 6.823 1.037 1.00 0.00 H new ATOM 44 N TRP A 318 -0.345 7.386 1.060 1.00 0.00 N ATOM 45 CA TRP A 318 -1.762 7.729 1.074 1.00 0.00 C ATOM 46 C TRP A 318 -2.616 6.527 1.455 1.00 0.00 C ATOM 47 O TRP A 318 -3.561 6.647 2.235 1.00 0.00 O ATOM 48 CB TRP A 318 -2.194 8.267 -0.292 1.00 0.00 C ATOM 49 CG TRP A 318 -3.628 8.699 -0.339 1.00 0.00 C ATOM 50 CD1 TRP A 318 -4.116 9.937 -0.045 1.00 0.00 C ATOM 51 CD2 TRP A 318 -4.758 7.896 -0.701 1.00 0.00 C ATOM 52 NE1 TRP A 318 -5.480 9.956 -0.200 1.00 0.00 N ATOM 53 CE2 TRP A 318 -5.898 8.714 -0.604 1.00 0.00 C ATOM 54 CE3 TRP A 318 -4.915 6.563 -1.100 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -7.173 8.248 -0.887 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.193 6.096 -1.384 1.00 0.00 C ATOM 57 CH2 TRP A 318 -7.289 6.915 -1.281 1.00 0.00 C ATOM 0 H TRP A 318 0.126 7.577 0.176 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.910 8.505 1.825 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -1.559 9.112 -0.558 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -2.030 7.496 -1.045 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -3.517 10.780 0.265 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -6.084 10.762 -0.041 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -4.059 5.910 -1.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -8.038 8.889 -0.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -6.326 5.069 -1.692 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -8.266 6.517 -1.511 1.00 0.00 H new ATOM 68 N GLU A 319 -2.278 5.367 0.900 1.00 0.00 N ATOM 69 CA GLU A 319 -3.044 4.150 1.143 1.00 0.00 C ATOM 70 C GLU A 319 -2.926 3.706 2.595 1.00 0.00 C ATOM 71 O GLU A 319 -3.920 3.350 3.228 1.00 0.00 O ATOM 72 CB GLU A 319 -2.578 3.030 0.211 1.00 0.00 C ATOM 73 CG GLU A 319 -2.931 3.243 -1.255 1.00 0.00 C ATOM 74 CD GLU A 319 -2.209 2.264 -2.139 1.00 0.00 C ATOM 75 OE1 GLU A 319 -1.351 1.571 -1.648 1.00 0.00 O ATOM 76 OE2 GLU A 319 -2.591 2.129 -3.277 1.00 0.00 O1- ATOM 0 H GLU A 319 -1.478 5.245 0.279 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.092 4.369 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -1.497 2.926 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -3.017 2.090 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -4.007 3.135 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -2.673 4.260 -1.549 1.00 0.00 H new ATOM 83 N ILE A 320 -1.705 3.728 3.118 1.00 0.00 N ATOM 84 CA ILE A 320 -1.446 3.275 4.480 1.00 0.00 C ATOM 85 C ILE A 320 -2.042 4.234 5.502 1.00 0.00 C ATOM 86 O ILE A 320 -2.593 3.810 6.518 1.00 0.00 O ATOM 87 CB ILE A 320 0.062 3.124 4.748 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.636 1.961 3.934 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.320 2.917 6.232 1.00 0.00 C ATOM 90 CD1 ILE A 320 2.147 1.915 3.917 1.00 0.00 C ATOM 0 H ILE A 320 -0.878 4.055 2.619 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.922 2.300 4.583 1.00 0.00 H new ATOM 0 HB ILE A 320 0.562 4.041 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.258 1.023 4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 320 0.272 2.033 2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.391 2.812 6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 320 -0.055 3.775 6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 320 -0.191 2.015 6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 320 2.478 1.065 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 320 2.534 2.836 3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 320 2.519 1.811 4.936 1.00 0.00 H new ATOM 102 N LEU A 321 -1.927 5.529 5.227 1.00 0.00 N ATOM 103 CA LEU A 321 -2.409 6.553 6.147 1.00 0.00 C ATOM 104 C LEU A 321 -3.877 6.335 6.494 1.00 0.00 C ATOM 105 O LEU A 321 -4.319 6.662 7.594 1.00 0.00 O ATOM 106 CB LEU A 321 -2.205 7.947 5.542 1.00 0.00 C ATOM 107 CG LEU A 321 -1.001 8.726 6.087 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.183 7.788 6.279 1.00 0.00 C ATOM 109 CD2 LEU A 321 -0.647 9.853 5.128 1.00 0.00 C ATOM 0 H LEU A 321 -1.504 5.895 4.374 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.832 6.479 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -2.092 7.844 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -3.106 8.536 5.714 1.00 0.00 H new ATOM 0 HG LEU A 321 -1.255 9.158 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.033 8.350 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 321 -0.086 7.003 6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 321 0.450 7.339 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 321 0.208 10.406 5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 321 -0.397 9.436 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 321 -1.498 10.526 5.027 1.00 0.00 H new ATOM 121 N ARG A 322 -4.627 5.780 5.548 1.00 0.00 N ATOM 122 CA ARG A 322 -6.053 5.545 5.740 1.00 0.00 C ATOM 123 C ARG A 322 -6.312 4.736 7.005 1.00 0.00 C ATOM 124 O ARG A 322 -7.232 5.033 7.766 1.00 0.00 O ATOM 125 CB ARG A 322 -6.697 4.898 4.523 1.00 0.00 C ATOM 126 CG ARG A 322 -8.190 4.640 4.652 1.00 0.00 C ATOM 127 CD ARG A 322 -8.824 4.088 3.427 1.00 0.00 C ATOM 128 NE ARG A 322 -10.239 3.783 3.565 1.00 0.00 N ATOM 129 CZ ARG A 322 -11.006 3.253 2.593 1.00 0.00 C ATOM 130 NH1 ARG A 322 -10.512 3.004 1.400 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -12.277 3.012 2.862 1.00 0.00 N ATOM 0 H ARG A 322 -4.270 5.484 4.639 1.00 0.00 H new ATOM 0 HA ARG A 322 -6.525 6.520 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.527 5.537 3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -6.195 3.951 4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -8.357 3.947 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -8.687 5.574 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.697 4.803 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -8.296 3.179 3.138 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.682 3.985 4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -9.534 3.212 1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -11.107 2.602 0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.652 3.227 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -12.883 2.611 2.146 1.00 0.00 H new ATOM 145 N GLN A 323 -5.494 3.711 7.223 1.00 0.00 N ATOM 146 CA GLN A 323 -5.721 2.769 8.312 1.00 0.00 C ATOM 147 C GLN A 323 -4.666 2.920 9.401 1.00 0.00 C ATOM 148 O GLN A 323 -4.789 2.345 10.482 1.00 0.00 O ATOM 149 CB GLN A 323 -5.718 1.331 7.786 1.00 0.00 C ATOM 150 CG GLN A 323 -6.848 1.019 6.820 1.00 0.00 C ATOM 151 CD GLN A 323 -6.802 -0.412 6.318 1.00 0.00 C ATOM 152 OE1 GLN A 323 -6.104 -1.260 6.882 1.00 0.00 O ATOM 153 NE2 GLN A 323 -7.544 -0.688 5.252 1.00 0.00 N ATOM 0 H GLN A 323 -4.668 3.512 6.659 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.697 2.991 8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -4.767 1.140 7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -5.779 0.646 8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -7.804 1.197 7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -6.795 1.701 5.971 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -8.106 0.045 4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -7.552 -1.633 4.867 1.00 0.00 H new ATOM 162 N ALA A 324 -3.630 3.699 9.109 1.00 0.00 N ATOM 163 CA ALA A 324 -2.535 3.901 10.050 1.00 0.00 C ATOM 164 C ALA A 324 -2.899 4.941 11.102 1.00 0.00 C ATOM 165 O ALA A 324 -3.695 5.844 10.847 1.00 0.00 O ATOM 166 CB ALA A 324 -1.270 4.311 9.310 1.00 0.00 C ATOM 0 H ALA A 324 -3.526 4.201 8.227 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.351 2.957 10.562 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.461 4.458 10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -0.992 3.529 8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -1.450 5.240 8.769 1.00 0.00 H new ATOM 172 N PRO A 325 -2.310 4.808 12.286 1.00 0.00 N ATOM 173 CA PRO A 325 -2.486 5.795 13.344 1.00 0.00 C ATOM 174 C PRO A 325 -1.760 7.092 13.014 1.00 0.00 C ATOM 175 O PRO A 325 -0.794 7.097 12.250 1.00 0.00 O ATOM 176 CB PRO A 325 -1.912 5.114 14.591 1.00 0.00 C ATOM 177 CG PRO A 325 -0.865 4.194 14.063 1.00 0.00 C ATOM 178 CD PRO A 325 -1.396 3.702 12.743 1.00 0.00 C ATOM 0 HA PRO A 325 -3.528 6.084 13.482 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -1.489 5.843 15.282 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -2.682 4.568 15.136 1.00 0.00 H new ATOM 0 HG2 PRO A 325 0.086 4.712 13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -0.687 3.366 14.749 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.591 3.528 12.029 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.933 2.760 12.854 1.00 0.00 H new ATOM 186 N PRO A 326 -2.229 8.192 13.594 1.00 0.00 N ATOM 187 CA PRO A 326 -1.689 9.511 13.286 1.00 0.00 C ATOM 188 C PRO A 326 -0.261 9.654 13.795 1.00 0.00 C ATOM 189 O PRO A 326 0.489 10.515 13.335 1.00 0.00 O ATOM 190 CB PRO A 326 -2.650 10.480 13.981 1.00 0.00 C ATOM 191 CG PRO A 326 -3.295 9.663 15.047 1.00 0.00 C ATOM 192 CD PRO A 326 -3.416 8.278 14.470 1.00 0.00 C ATOM 0 HA PRO A 326 -1.625 9.702 12.215 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -2.118 11.333 14.402 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -3.388 10.877 13.283 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -2.694 9.659 15.956 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.273 10.065 15.313 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.404 7.513 15.246 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.343 8.151 13.911 1.00 0.00 H new ATOM 200 N SER A 327 0.110 8.806 14.748 1.00 0.00 N ATOM 201 CA SER A 327 1.434 8.867 15.355 1.00 0.00 C ATOM 202 C SER A 327 2.494 8.287 14.427 1.00 0.00 C ATOM 203 O SER A 327 3.684 8.564 14.577 1.00 0.00 O ATOM 204 CB SER A 327 1.435 8.132 16.682 1.00 0.00 C ATOM 205 OG SER A 327 1.236 6.754 16.520 1.00 0.00 O ATOM 0 H SER A 327 -0.489 8.067 15.117 1.00 0.00 H new ATOM 0 HA SER A 327 1.679 9.915 15.529 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.384 8.304 17.191 1.00 0.00 H new ATOM 0 HB3 SER A 327 0.652 8.538 17.322 1.00 0.00 H new ATOM 0 HG SER A 327 1.245 6.317 17.397 1.00 0.00 H new ATOM 211 N GLU A 328 2.054 7.480 13.467 1.00 0.00 N ATOM 212 CA GLU A 328 2.971 6.778 12.577 1.00 0.00 C ATOM 213 C GLU A 328 2.918 7.352 11.167 1.00 0.00 C ATOM 214 O GLU A 328 3.497 6.792 10.236 1.00 0.00 O ATOM 215 CB GLU A 328 2.649 5.282 12.548 1.00 0.00 C ATOM 216 CG GLU A 328 2.876 4.565 13.871 1.00 0.00 C ATOM 217 CD GLU A 328 2.571 3.097 13.756 1.00 0.00 C ATOM 218 OE1 GLU A 328 2.258 2.658 12.675 1.00 0.00 O ATOM 219 OE2 GLU A 328 2.760 2.394 14.720 1.00 0.00 O1- ATOM 0 H GLU A 328 1.067 7.296 13.286 1.00 0.00 H new ATOM 0 HA GLU A 328 3.981 6.916 12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.608 5.152 12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.260 4.806 11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 328 3.910 4.700 14.188 1.00 0.00 H new ATOM 0 HG3 GLU A 328 2.246 5.010 14.641 1.00 0.00 H new ATOM 226 N TYR A 329 2.219 8.472 11.015 1.00 0.00 N ATOM 227 CA TYR A 329 2.077 9.117 9.715 1.00 0.00 C ATOM 228 C TYR A 329 3.421 9.615 9.198 1.00 0.00 C ATOM 229 O TYR A 329 3.673 9.609 7.993 1.00 0.00 O ATOM 230 CB TYR A 329 1.084 10.278 9.799 1.00 0.00 C ATOM 231 CG TYR A 329 -0.366 9.850 9.741 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.709 8.521 9.542 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.387 10.777 9.889 1.00 0.00 C ATOM 234 CE1 TYR A 329 -2.031 8.125 9.488 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.712 10.392 9.838 1.00 0.00 C ATOM 236 CZ TYR A 329 -3.031 9.065 9.637 1.00 0.00 C ATOM 237 OH TYR A 329 -4.350 8.676 9.586 1.00 0.00 O ATOM 0 H TYR A 329 1.741 8.952 11.778 1.00 0.00 H new ATOM 0 HA TYR A 329 1.696 8.374 9.014 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.255 10.823 10.727 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.281 10.972 8.981 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.071 7.783 9.427 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -1.142 11.817 10.047 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -2.281 7.086 9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.495 11.126 9.955 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.460 7.981 8.904 1.00 0.00 H new ATOM 247 N GLU A 330 4.280 10.046 10.115 1.00 0.00 N ATOM 248 CA GLU A 330 5.626 10.478 9.761 1.00 0.00 C ATOM 249 C GLU A 330 6.515 9.288 9.421 1.00 0.00 C ATOM 250 O GLU A 330 7.355 9.364 8.524 1.00 0.00 O ATOM 251 CB GLU A 330 6.247 11.288 10.901 1.00 0.00 C ATOM 252 CG GLU A 330 5.616 12.657 11.114 1.00 0.00 C ATOM 253 CD GLU A 330 6.211 13.353 12.307 1.00 0.00 C ATOM 254 OE1 GLU A 330 7.032 12.762 12.967 1.00 0.00 O ATOM 255 OE2 GLU A 330 5.931 14.514 12.493 1.00 0.00 O1- ATOM 0 H GLU A 330 4.067 10.105 11.111 1.00 0.00 H new ATOM 0 HA GLU A 330 5.550 11.111 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 330 6.164 10.715 11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 330 7.311 11.418 10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 330 5.761 13.269 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 330 4.541 12.546 11.254 1.00 0.00 H new ATOM 262 N ARG A 331 6.325 8.189 10.143 1.00 0.00 N ATOM 263 CA ARG A 331 7.132 6.991 9.942 1.00 0.00 C ATOM 264 C ARG A 331 6.843 6.353 8.590 1.00 0.00 C ATOM 265 O ARG A 331 7.736 5.792 7.954 1.00 0.00 O ATOM 266 CB ARG A 331 6.966 5.991 11.077 1.00 0.00 C ATOM 267 CG ARG A 331 7.626 6.394 12.386 1.00 0.00 C ATOM 268 CD ARG A 331 7.468 5.404 13.482 1.00 0.00 C ATOM 269 NE ARG A 331 8.167 5.747 14.710 1.00 0.00 N ATOM 270 CZ ARG A 331 8.186 4.982 15.819 1.00 0.00 C ATOM 271 NH1 ARG A 331 7.517 3.852 15.874 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 8.875 5.411 16.862 1.00 0.00 N ATOM 0 H ARG A 331 5.618 8.103 10.874 1.00 0.00 H new ATOM 0 HA ARG A 331 8.176 7.303 9.947 1.00 0.00 H new ATOM 0 HB2 ARG A 331 5.901 5.839 11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 331 7.376 5.032 10.760 1.00 0.00 H new ATOM 0 HG2 ARG A 331 8.689 6.555 12.208 1.00 0.00 H new ATOM 0 HG3 ARG A 331 7.209 7.347 12.711 1.00 0.00 H new ATOM 0 HD2 ARG A 331 6.406 5.291 13.702 1.00 0.00 H new ATOM 0 HD3 ARG A 331 7.826 4.435 13.134 1.00 0.00 H new ATOM 0 HE ARG A 331 8.679 6.629 14.734 1.00 0.00 H new ATOM 0 HH11 ARG A 331 6.972 3.542 15.069 1.00 0.00 H new ATOM 0 HH12 ARG A 331 7.542 3.285 16.722 1.00 0.00 H new ATOM 0 HH21 ARG A 331 9.374 6.299 16.813 1.00 0.00 H new ATOM 0 HH22 ARG A 331 8.908 4.854 17.716 1.00 0.00 H new ATOM 286 N ILE A 332 5.591 6.442 8.154 1.00 0.00 N ATOM 287 CA ILE A 332 5.194 5.922 6.851 1.00 0.00 C ATOM 288 C ILE A 332 5.639 6.851 5.729 1.00 0.00 C ATOM 289 O ILE A 332 6.214 6.408 4.735 1.00 0.00 O ATOM 290 CB ILE A 332 3.671 5.719 6.764 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.215 4.659 7.770 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.267 5.325 5.351 1.00 0.00 C ATOM 293 CD1 ILE A 332 3.849 3.303 7.558 1.00 0.00 C ATOM 0 H ILE A 332 4.833 6.870 8.685 1.00 0.00 H new ATOM 0 HA ILE A 332 5.686 4.956 6.735 1.00 0.00 H new ATOM 0 HB ILE A 332 3.181 6.661 7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.447 5.004 8.778 1.00 0.00 H new ATOM 0 HG13 ILE A 332 2.132 4.556 7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.187 5.185 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.560 6.112 4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 332 3.765 4.395 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 332 3.477 2.606 8.309 1.00 0.00 H new ATOM 0 HD12 ILE A 332 3.596 2.935 6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 332 4.932 3.389 7.648 1.00 0.00 H new ATOM 305 N ALA A 333 5.370 8.141 5.894 1.00 0.00 N ATOM 306 CA ALA A 333 5.737 9.135 4.892 1.00 0.00 C ATOM 307 C ALA A 333 7.233 9.107 4.611 1.00 0.00 C ATOM 308 O ALA A 333 7.656 9.040 3.457 1.00 0.00 O ATOM 309 CB ALA A 333 5.304 10.524 5.340 1.00 0.00 C ATOM 0 H ALA A 333 4.898 8.524 6.713 1.00 0.00 H new ATOM 0 HA ALA A 333 5.218 8.888 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 333 5.585 11.255 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.223 10.541 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 333 5.794 10.772 6.282 1.00 0.00 H new ATOM 315 N PHE A 334 8.031 9.159 5.672 1.00 0.00 N ATOM 316 CA PHE A 334 9.480 9.247 5.538 1.00 0.00 C ATOM 317 C PHE A 334 10.053 7.982 4.912 1.00 0.00 C ATOM 318 O PHE A 334 11.076 8.024 4.229 1.00 0.00 O ATOM 319 CB PHE A 334 10.129 9.500 6.900 1.00 0.00 C ATOM 320 CG PHE A 334 9.783 10.834 7.497 1.00 0.00 C ATOM 321 CD1 PHE A 334 9.183 11.820 6.728 1.00 0.00 C ATOM 322 CD2 PHE A 334 10.058 11.107 8.829 1.00 0.00 C ATOM 323 CE1 PHE A 334 8.865 13.048 7.276 1.00 0.00 C ATOM 324 CE2 PHE A 334 9.740 12.333 9.380 1.00 0.00 C ATOM 325 CZ PHE A 334 9.143 13.305 8.602 1.00 0.00 C ATOM 0 H PHE A 334 7.698 9.142 6.636 1.00 0.00 H new ATOM 0 HA PHE A 334 9.704 10.085 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 334 9.823 8.713 7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.212 9.429 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 334 8.962 11.626 5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 334 10.526 10.352 9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 334 8.398 13.807 6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 334 9.958 12.531 10.419 1.00 0.00 H new ATOM 0 HZ PHE A 334 8.894 14.264 9.031 1.00 0.00 H new ATOM 335 N GLN A 335 9.387 6.857 5.148 1.00 0.00 N ATOM 336 CA GLN A 335 9.827 5.577 4.606 1.00 0.00 C ATOM 337 C GLN A 335 9.780 5.578 3.084 1.00 0.00 C ATOM 338 O GLN A 335 10.579 4.910 2.427 1.00 0.00 O ATOM 339 CB GLN A 335 8.961 4.438 5.149 1.00 0.00 C ATOM 340 CG GLN A 335 9.432 3.051 4.747 1.00 0.00 C ATOM 341 CD GLN A 335 10.815 2.732 5.284 1.00 0.00 C ATOM 342 OE1 GLN A 335 11.117 2.989 6.452 1.00 0.00 O ATOM 343 NE2 GLN A 335 11.665 2.171 4.431 1.00 0.00 N ATOM 0 H GLN A 335 8.539 6.806 5.712 1.00 0.00 H new ATOM 0 HA GLN A 335 10.859 5.423 4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.939 4.501 6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 335 7.938 4.577 4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 335 8.723 2.309 5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 335 9.441 2.974 3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 335 11.372 1.976 3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 335 12.610 1.935 4.734 1.00 0.00 H new ATOM 352 N HIS A 336 8.838 6.332 2.527 1.00 0.00 N ATOM 353 CA HIS A 336 8.641 6.370 1.083 1.00 0.00 C ATOM 354 C HIS A 336 9.279 7.611 0.472 1.00 0.00 C ATOM 355 O HIS A 336 9.187 7.839 -0.734 1.00 0.00 O ATOM 356 CB HIS A 336 7.149 6.325 0.738 1.00 0.00 C ATOM 357 CG HIS A 336 6.493 5.022 1.074 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.987 4.745 2.327 1.00 0.00 N ATOM 359 CD2 HIS A 336 6.261 3.920 0.323 1.00 0.00 C ATOM 360 CE1 HIS A 336 5.471 3.528 2.330 1.00 0.00 C ATOM 361 NE2 HIS A 336 5.625 3.007 1.127 1.00 0.00 N ATOM 0 H HIS A 336 8.198 6.926 3.055 1.00 0.00 H new ATOM 0 HA HIS A 336 9.127 5.491 0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.638 7.127 1.270 1.00 0.00 H new ATOM 0 HB3 HIS A 336 7.025 6.520 -0.327 1.00 0.00 H new ATOM 0 HD1 HIS A 336 6.008 5.379 3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 336 6.527 3.784 -0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 336 5.003 3.042 3.174 1.00 0.00 H new ATOM 368 N GLY A 337 9.925 8.412 1.313 1.00 0.00 N ATOM 369 CA GLY A 337 10.620 9.608 0.851 1.00 0.00 C ATOM 370 C GLY A 337 9.659 10.781 0.704 1.00 0.00 C ATOM 371 O GLY A 337 9.928 11.727 -0.036 1.00 0.00 O ATOM 0 H GLY A 337 9.982 8.254 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.410 9.868 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 337 11.100 9.406 -0.106 1.00 0.00 H new ATOM 375 N VAL A 338 8.539 10.714 1.414 1.00 0.00 N ATOM 376 CA VAL A 338 7.557 11.791 1.400 1.00 0.00 C ATOM 377 C VAL A 338 7.778 12.754 2.560 1.00 0.00 C ATOM 378 O VAL A 338 7.677 12.370 3.725 1.00 0.00 O ATOM 379 CB VAL A 338 6.118 11.246 1.466 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.116 12.390 1.516 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.835 10.343 0.275 1.00 0.00 C ATOM 0 H VAL A 338 8.288 9.923 2.008 1.00 0.00 H new ATOM 0 HA VAL A 338 7.691 12.324 0.459 1.00 0.00 H new ATOM 0 HB VAL A 338 6.015 10.657 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.105 11.986 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.304 13.000 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.221 13.005 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.814 9.967 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 338 5.957 10.910 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.531 9.504 0.281 1.00 0.00 H new ATOM 391 N THR A 339 8.081 14.006 2.233 1.00 0.00 N ATOM 392 CA THR A 339 8.353 15.017 3.247 1.00 0.00 C ATOM 393 C THR A 339 7.136 15.903 3.483 1.00 0.00 C ATOM 394 O THR A 339 6.951 16.443 4.573 1.00 0.00 O ATOM 395 CB THR A 339 9.551 15.902 2.855 1.00 0.00 C ATOM 396 OG1 THR A 339 9.268 16.574 1.621 1.00 0.00 O ATOM 397 CG2 THR A 339 10.806 15.060 2.693 1.00 0.00 C ATOM 0 H THR A 339 8.144 14.344 1.273 1.00 0.00 H new ATOM 0 HA THR A 339 8.593 14.483 4.166 1.00 0.00 H new ATOM 0 HB THR A 339 9.717 16.634 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 339 10.030 17.138 1.373 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.642 15.702 2.416 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.031 14.557 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.647 14.316 1.913 1.00 0.00 H new ATOM 405 N ASP A 340 6.308 16.047 2.454 1.00 0.00 N ATOM 406 CA ASP A 340 5.079 16.825 2.563 1.00 0.00 C ATOM 407 C ASP A 340 3.940 15.980 3.118 1.00 0.00 C ATOM 408 O ASP A 340 3.025 15.597 2.389 1.00 0.00 O ATOM 409 CB ASP A 340 4.688 17.403 1.201 1.00 0.00 C ATOM 410 CG ASP A 340 3.529 18.389 1.245 1.00 0.00 C ATOM 411 OD1 ASP A 340 3.091 18.713 2.324 1.00 0.00 O ATOM 412 OD2 ASP A 340 3.195 18.930 0.218 1.00 0.00 O1- ATOM 0 H ASP A 340 6.466 15.635 1.534 1.00 0.00 H new ATOM 0 HA ASP A 340 5.265 17.645 3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.556 17.901 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.426 16.582 0.533 1.00 0.00 H new ATOM 417 N LEU A 341 4.001 15.692 4.414 1.00 0.00 N ATOM 418 CA LEU A 341 2.952 14.929 5.080 1.00 0.00 C ATOM 419 C LEU A 341 1.643 15.708 5.115 1.00 0.00 C ATOM 420 O LEU A 341 0.566 15.138 4.943 1.00 0.00 O ATOM 421 CB LEU A 341 3.389 14.556 6.502 1.00 0.00 C ATOM 422 CG LEU A 341 2.356 13.766 7.316 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.013 12.466 6.602 1.00 0.00 C ATOM 424 CD2 LEU A 341 2.909 13.489 8.706 1.00 0.00 C ATOM 0 H LEU A 341 4.767 15.976 5.025 1.00 0.00 H new ATOM 0 HA LEU A 341 2.784 14.015 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.306 13.970 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.631 15.471 7.042 1.00 0.00 H new ATOM 0 HG LEU A 341 1.442 14.353 7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.279 11.912 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.599 12.689 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 341 2.915 11.865 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.175 12.928 9.284 1.00 0.00 H new ATOM 0 HD22 LEU A 341 3.827 12.908 8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 341 3.121 14.433 9.208 1.00 0.00 H new ATOM 436 N ARG A 342 1.743 17.014 5.339 1.00 0.00 N ATOM 437 CA ARG A 342 0.565 17.869 5.421 1.00 0.00 C ATOM 438 C ARG A 342 -0.237 17.827 4.127 1.00 0.00 C ATOM 439 O ARG A 342 -1.463 17.714 4.148 1.00 0.00 O ATOM 440 CB ARG A 342 0.919 19.297 5.810 1.00 0.00 C ATOM 441 CG ARG A 342 1.371 19.473 7.251 1.00 0.00 C ATOM 442 CD ARG A 342 1.772 20.860 7.601 1.00 0.00 C ATOM 443 NE ARG A 342 2.237 21.025 8.969 1.00 0.00 N ATOM 444 CZ ARG A 342 2.712 22.177 9.482 1.00 0.00 C ATOM 445 NH1 ARG A 342 2.823 23.255 8.738 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 3.087 22.189 10.749 1.00 0.00 N ATOM 0 H ARG A 342 2.629 17.504 5.467 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.064 17.472 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.710 19.653 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 342 0.050 19.932 5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 342 0.563 19.163 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 342 2.212 18.806 7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 342 2.562 21.179 6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 342 0.923 21.523 7.437 1.00 0.00 H new ATOM 0 HE ARG A 342 2.201 20.212 9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 342 2.548 23.228 7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 342 3.185 24.119 9.142 1.00 0.00 H new ATOM 0 HH21 ARG A 342 3.013 21.341 11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 342 3.451 23.046 11.165 1.00 0.00 H new ATOM 460 N GLY A 343 0.461 17.919 3.000 1.00 0.00 N ATOM 461 CA GLY A 343 -0.178 17.820 1.693 1.00 0.00 C ATOM 462 C GLY A 343 -0.776 16.436 1.475 1.00 0.00 C ATOM 463 O GLY A 343 -1.855 16.300 0.898 1.00 0.00 O ATOM 0 H GLY A 343 1.470 18.062 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.961 18.574 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.552 18.031 0.912 1.00 0.00 H new ATOM 467 N MET A 344 -0.070 15.412 1.942 1.00 0.00 N ATOM 468 CA MET A 344 -0.559 14.041 1.852 1.00 0.00 C ATOM 469 C MET A 344 -1.825 13.852 2.678 1.00 0.00 C ATOM 470 O MET A 344 -2.724 13.106 2.292 1.00 0.00 O ATOM 471 CB MET A 344 0.522 13.065 2.312 1.00 0.00 C ATOM 472 CG MET A 344 0.155 11.596 2.150 1.00 0.00 C ATOM 473 SD MET A 344 -0.054 11.119 0.423 1.00 0.00 S ATOM 474 CE MET A 344 1.649 11.087 -0.128 1.00 0.00 C ATOM 0 H MET A 344 0.843 15.505 2.387 1.00 0.00 H new ATOM 0 HA MET A 344 -0.803 13.837 0.809 1.00 0.00 H new ATOM 0 HB2 MET A 344 1.435 13.263 1.751 1.00 0.00 H new ATOM 0 HB3 MET A 344 0.745 13.257 3.361 1.00 0.00 H new ATOM 0 HG2 MET A 344 0.932 10.979 2.602 1.00 0.00 H new ATOM 0 HG3 MET A 344 -0.768 11.394 2.693 1.00 0.00 H new ATOM 0 HE1 MET A 344 1.721 10.515 -1.053 1.00 0.00 H new ATOM 0 HE2 MET A 344 1.994 12.106 -0.304 1.00 0.00 H new ATOM 0 HE3 MET A 344 2.270 10.621 0.637 1.00 0.00 H new ATOM 484 N LEU A 345 -1.889 14.534 3.817 1.00 0.00 N ATOM 485 CA LEU A 345 -3.033 14.421 4.714 1.00 0.00 C ATOM 486 C LEU A 345 -4.216 15.233 4.203 1.00 0.00 C ATOM 487 O LEU A 345 -5.370 14.921 4.499 1.00 0.00 O ATOM 488 CB LEU A 345 -2.645 14.874 6.127 1.00 0.00 C ATOM 489 CG LEU A 345 -1.645 13.964 6.853 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.291 14.556 8.210 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.243 12.574 7.010 1.00 0.00 C ATOM 0 H LEU A 345 -1.161 15.171 4.141 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.334 13.374 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.222 15.877 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.550 14.946 6.730 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.730 13.887 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.581 13.903 8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.844 15.541 8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -2.194 14.649 8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.532 11.928 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -3.163 12.637 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.463 12.159 6.026 1.00 0.00 H new ATOM 503 N LYS A 346 -3.923 16.276 3.434 1.00 0.00 N ATOM 504 CA LYS A 346 -4.955 17.004 2.705 1.00 0.00 C ATOM 505 C LYS A 346 -5.555 16.149 1.597 1.00 0.00 C ATOM 506 O LYS A 346 -6.748 16.239 1.307 1.00 0.00 O ATOM 507 CB LYS A 346 -4.386 18.298 2.121 1.00 0.00 C ATOM 508 CG LYS A 346 -4.117 19.388 3.151 1.00 0.00 C ATOM 509 CD LYS A 346 -3.541 20.636 2.498 1.00 0.00 C ATOM 510 CE LYS A 346 -3.236 21.711 3.530 1.00 0.00 C ATOM 511 NZ LYS A 346 -2.647 22.928 2.909 1.00 0.00 N1+ ATOM 0 H LYS A 346 -2.978 16.637 3.299 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.748 17.252 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.456 18.069 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.082 18.683 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.043 19.640 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -3.423 19.016 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -2.630 20.379 1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.248 21.024 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.152 21.979 4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -2.546 21.314 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -2.454 23.635 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -1.759 22.678 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.315 23.323 2.217 1.00 0.00 H new ATOM 525 N ARG A 347 -4.721 15.318 0.980 1.00 0.00 N ATOM 526 CA ARG A 347 -5.191 14.349 -0.002 1.00 0.00 C ATOM 527 C ARG A 347 -5.875 13.167 0.674 1.00 0.00 C ATOM 528 O ARG A 347 -6.751 12.528 0.092 1.00 0.00 O ATOM 529 CB ARG A 347 -4.080 13.891 -0.934 1.00 0.00 C ATOM 530 CG ARG A 347 -3.597 14.943 -1.919 1.00 0.00 C ATOM 531 CD ARG A 347 -2.496 14.491 -2.808 1.00 0.00 C ATOM 532 NE ARG A 347 -2.048 15.487 -3.768 1.00 0.00 N ATOM 533 CZ ARG A 347 -0.968 15.353 -4.562 1.00 0.00 C ATOM 534 NH1 ARG A 347 -0.203 14.286 -4.490 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -0.684 16.334 -5.400 1.00 0.00 N ATOM 0 H ARG A 347 -3.714 15.297 1.144 1.00 0.00 H new ATOM 0 HA ARG A 347 -5.932 14.854 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.233 13.562 -0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.430 13.023 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -4.438 15.260 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -3.262 15.818 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -1.648 14.192 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -2.825 13.604 -3.350 1.00 0.00 H new ATOM 0 HE ARG A 347 -2.590 16.348 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -0.424 13.544 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 347 0.611 14.200 -5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -1.276 17.164 -5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 347 0.127 16.262 -6.014 1.00 0.00 H new ATOM 549 N LEU A 348 -5.469 12.882 1.907 1.00 0.00 N ATOM 550 CA LEU A 348 -6.083 11.814 2.688 1.00 0.00 C ATOM 551 C LEU A 348 -7.540 12.130 3.002 1.00 0.00 C ATOM 552 O LEU A 348 -8.428 11.311 2.763 1.00 0.00 O ATOM 553 CB LEU A 348 -5.295 11.585 3.983 1.00 0.00 C ATOM 554 CG LEU A 348 -5.819 10.450 4.873 1.00 0.00 C ATOM 555 CD1 LEU A 348 -5.677 9.115 4.155 1.00 0.00 C ATOM 556 CD2 LEU A 348 -5.052 10.439 6.187 1.00 0.00 C ATOM 0 H LEU A 348 -4.717 13.376 2.387 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.058 10.901 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -4.257 11.374 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -5.299 12.510 4.560 1.00 0.00 H new ATOM 0 HG LEU A 348 -6.876 10.613 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -6.052 8.316 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -6.251 9.137 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -4.627 8.935 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -5.424 9.633 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -3.992 10.284 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -5.190 11.393 6.697 1.00 0.00 H new ATOM 568 N LYS A 349 -7.780 13.321 3.538 1.00 0.00 N ATOM 569 CA LYS A 349 -9.126 13.736 3.913 1.00 0.00 C ATOM 570 C LYS A 349 -9.845 14.395 2.742 1.00 0.00 C ATOM 571 O LYS A 349 -10.344 13.718 1.887 1.00 0.00 O ATOM 572 CB LYS A 349 -9.080 14.691 5.107 1.00 0.00 C ATOM 573 CG LYS A 349 -10.447 15.137 5.609 1.00 0.00 C ATOM 574 CD LYS A 349 -10.322 16.043 6.824 1.00 0.00 C ATOM 575 CE LYS A 349 -11.687 16.500 7.318 1.00 0.00 C ATOM 576 NZ LYS A 349 -11.581 17.358 8.529 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.058 14.017 3.723 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.683 12.843 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -8.547 14.206 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -8.503 15.573 4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -10.975 15.663 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -11.046 14.263 5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -9.803 15.514 7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -9.715 16.912 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -12.194 17.051 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -12.302 15.629 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -12.532 17.648 8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -11.121 16.824 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -11.016 18.203 8.308 1.00 0.00 H new