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= 0.888 K(o=0.89,f=0) USER MOD Single : A 327 SER OG : rot 76:sc= 0.764 USER MOD Single : A 329 TYR OH : rot -40:sc= 0.947 USER MOD Single : A 335 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.23) USER MOD Single : A 336 HIS : no HE2:sc= -0.274 K(o=-0.27,f=-0.81) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl -158:sc= -0.289 (180deg=-0.381) 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 1.400 5.987 0.061 1.00 0.00 N ATOM 29 CA VAL A 317 1.641 6.604 1.361 1.00 0.00 C ATOM 30 C VAL A 317 0.331 6.981 2.043 1.00 0.00 C ATOM 31 O VAL A 317 0.210 6.894 3.265 1.00 0.00 O ATOM 32 CB VAL A 317 2.522 7.861 1.235 1.00 0.00 C ATOM 33 CG1 VAL A 317 1.773 8.967 0.506 1.00 0.00 C ATOM 34 CG2 VAL A 317 2.970 8.338 2.608 1.00 0.00 C ATOM 0 HA VAL A 317 2.164 5.864 1.968 1.00 0.00 H new ATOM 0 HB VAL A 317 3.407 7.603 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 317 2.411 9.847 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 317 1.500 8.625 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 317 0.870 9.222 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 317 3.591 9.227 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 317 2.096 8.578 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.544 7.551 3.097 1.00 0.00 H new ATOM 44 N TRP A 318 -0.645 7.399 1.246 1.00 0.00 N ATOM 45 CA TRP A 318 -1.938 7.821 1.774 1.00 0.00 C ATOM 46 C TRP A 318 -2.830 6.622 2.068 1.00 0.00 C ATOM 47 O TRP A 318 -3.755 6.707 2.877 1.00 0.00 O ATOM 48 CB TRP A 318 -2.633 8.765 0.793 1.00 0.00 C ATOM 49 CG TRP A 318 -2.893 8.149 -0.549 1.00 0.00 C ATOM 50 CD1 TRP A 318 -2.088 8.215 -1.646 1.00 0.00 C ATOM 51 CD2 TRP A 318 -4.033 7.371 -0.934 1.00 0.00 C ATOM 52 NE1 TRP A 318 -2.655 7.530 -2.692 1.00 0.00 N ATOM 53 CE2 TRP A 318 -3.851 7.002 -2.278 1.00 0.00 C ATOM 54 CE3 TRP A 318 -5.192 6.953 -0.268 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -4.778 6.238 -2.971 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.120 6.186 -0.963 1.00 0.00 C ATOM 57 CH2 TRP A 318 -5.919 5.839 -2.275 1.00 0.00 C ATOM 0 H TRP A 318 -0.566 7.455 0.231 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.760 8.351 2.710 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.580 9.091 1.224 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -2.019 9.656 0.662 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -1.140 8.732 -1.687 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -2.253 7.430 -3.624 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.361 7.221 0.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -4.623 5.964 -4.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -7.017 5.857 -0.460 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -6.663 5.242 -2.782 1.00 0.00 H new ATOM 68 N GLU A 319 -2.549 5.505 1.406 1.00 0.00 N ATOM 69 CA GLU A 319 -3.225 4.248 1.702 1.00 0.00 C ATOM 70 C GLU A 319 -2.795 3.697 3.056 1.00 0.00 C ATOM 71 O GLU A 319 -3.570 3.024 3.737 1.00 0.00 O ATOM 72 CB GLU A 319 -2.947 3.218 0.604 1.00 0.00 C ATOM 73 CG GLU A 319 -3.671 3.486 -0.708 1.00 0.00 C ATOM 74 CD GLU A 319 -3.252 2.511 -1.772 1.00 0.00 C ATOM 75 OE1 GLU A 319 -2.328 1.769 -1.541 1.00 0.00 O ATOM 76 OE2 GLU A 319 -3.927 2.429 -2.772 1.00 0.00 O1- ATOM 0 H GLU A 319 -1.856 5.445 0.660 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.296 4.447 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -1.874 3.189 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -3.233 2.231 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -4.748 3.417 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -3.461 4.503 -1.040 1.00 0.00 H new ATOM 83 N ILE A 320 -1.558 3.987 3.441 1.00 0.00 N ATOM 84 CA ILE A 320 -1.059 3.613 4.759 1.00 0.00 C ATOM 85 C ILE A 320 -1.504 4.610 5.822 1.00 0.00 C ATOM 86 O ILE A 320 -1.885 4.225 6.927 1.00 0.00 O ATOM 87 CB ILE A 320 0.478 3.514 4.774 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.957 2.480 3.751 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.975 3.158 6.167 1.00 0.00 C ATOM 90 CD1 ILE A 320 0.419 1.088 3.994 1.00 0.00 C ATOM 0 H ILE A 320 -0.881 4.480 2.859 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.480 2.634 4.986 1.00 0.00 H new ATOM 0 HB ILE A 320 0.890 4.485 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.661 2.805 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 320 2.046 2.446 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 320 2.063 3.092 6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.663 3.928 6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 320 0.556 2.198 6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 320 0.802 0.411 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 320 0.737 0.742 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 320 -0.670 1.106 3.950 1.00 0.00 H new ATOM 102 N LEU A 321 -1.455 5.893 5.479 1.00 0.00 N ATOM 103 CA LEU A 321 -1.874 6.947 6.395 1.00 0.00 C ATOM 104 C LEU A 321 -3.336 6.785 6.791 1.00 0.00 C ATOM 105 O LEU A 321 -3.719 7.081 7.922 1.00 0.00 O ATOM 106 CB LEU A 321 -1.642 8.324 5.760 1.00 0.00 C ATOM 107 CG LEU A 321 -0.172 8.727 5.591 1.00 0.00 C ATOM 108 CD1 LEU A 321 -0.065 9.949 4.691 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.439 9.007 6.957 1.00 0.00 C ATOM 0 H LEU A 321 -1.129 6.228 4.572 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.271 6.868 7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -2.121 8.340 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -2.140 9.077 6.371 1.00 0.00 H new ATOM 0 HG LEU A 321 0.377 7.910 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 321 0.983 10.227 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 321 -0.487 9.719 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 321 -0.614 10.778 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 321 1.484 9.293 6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 321 -0.106 9.818 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 321 0.377 8.110 7.574 1.00 0.00 H new ATOM 121 N ARG A 322 -4.148 6.313 5.852 1.00 0.00 N ATOM 122 CA ARG A 322 -5.583 6.181 6.075 1.00 0.00 C ATOM 123 C ARG A 322 -5.879 5.149 7.156 1.00 0.00 C ATOM 124 O ARG A 322 -6.877 5.253 7.871 1.00 0.00 O ATOM 125 CB ARG A 322 -6.339 5.874 4.791 1.00 0.00 C ATOM 126 CG ARG A 322 -7.829 5.631 4.968 1.00 0.00 C ATOM 127 CD ARG A 322 -8.595 6.822 5.417 1.00 0.00 C ATOM 128 NE ARG A 322 -10.005 6.573 5.667 1.00 0.00 N ATOM 129 CZ ARG A 322 -10.500 6.050 6.805 1.00 0.00 C ATOM 130 NH1 ARG A 322 -9.703 5.684 7.786 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -11.808 5.891 6.902 1.00 0.00 N ATOM 0 H ARG A 322 -3.836 6.015 4.928 1.00 0.00 H new ATOM 0 HA ARG A 322 -5.942 7.148 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.201 6.704 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -5.895 4.994 4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -8.243 5.283 4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -7.971 4.829 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.140 7.208 6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -8.505 7.602 4.661 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.667 6.811 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -8.693 5.795 7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -10.095 5.290 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.414 6.162 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -12.212 5.497 7.752 1.00 0.00 H new ATOM 145 N GLN A 323 -5.007 4.153 7.272 1.00 0.00 N ATOM 146 CA GLN A 323 -5.282 2.986 8.102 1.00 0.00 C ATOM 147 C GLN A 323 -4.485 3.032 9.398 1.00 0.00 C ATOM 148 O GLN A 323 -4.968 2.612 10.451 1.00 0.00 O ATOM 149 CB GLN A 323 -4.956 1.699 7.340 1.00 0.00 C ATOM 150 CG GLN A 323 -5.797 1.482 6.094 1.00 0.00 C ATOM 151 CD GLN A 323 -5.411 0.220 5.346 1.00 0.00 C ATOM 152 OE1 GLN A 323 -5.893 -0.873 5.655 1.00 0.00 O ATOM 153 NE2 GLN A 323 -4.534 0.363 4.360 1.00 0.00 N ATOM 0 H GLN A 323 -4.103 4.131 6.801 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.344 2.998 8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -3.904 1.715 7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -5.093 0.850 8.009 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -6.849 1.427 6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -5.688 2.341 5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -4.161 1.286 4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -4.233 -0.450 3.823 1.00 0.00 H new ATOM 162 N ALA A 324 -3.261 3.544 9.318 1.00 0.00 N ATOM 163 CA ALA A 324 -2.344 3.520 10.451 1.00 0.00 C ATOM 164 C ALA A 324 -2.642 4.651 11.425 1.00 0.00 C ATOM 165 O ALA A 324 -3.251 5.656 11.057 1.00 0.00 O ATOM 166 CB ALA A 324 -0.903 3.596 9.967 1.00 0.00 C ATOM 0 H ALA A 324 -2.881 3.981 8.478 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.486 2.578 10.981 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.230 3.577 10.824 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -0.691 2.745 9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -0.755 4.521 9.410 1.00 0.00 H new ATOM 172 N PRO A 325 -2.208 4.484 12.670 1.00 0.00 N ATOM 173 CA PRO A 325 -2.406 5.503 13.694 1.00 0.00 C ATOM 174 C PRO A 325 -1.738 6.814 13.302 1.00 0.00 C ATOM 175 O PRO A 325 -0.769 6.827 12.543 1.00 0.00 O ATOM 176 CB PRO A 325 -1.783 4.893 14.954 1.00 0.00 C ATOM 177 CG PRO A 325 -1.787 3.425 14.696 1.00 0.00 C ATOM 178 CD PRO A 325 -1.545 3.278 13.218 1.00 0.00 C ATOM 0 HA PRO A 325 -3.456 5.756 13.841 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -0.772 5.265 15.117 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -2.362 5.142 15.844 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -1.011 2.923 15.273 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -2.738 2.978 14.985 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.482 3.255 12.980 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.980 2.360 12.824 1.00 0.00 H new ATOM 186 N PRO A 326 -2.263 7.918 13.824 1.00 0.00 N ATOM 187 CA PRO A 326 -1.741 9.241 13.502 1.00 0.00 C ATOM 188 C PRO A 326 -0.361 9.452 14.110 1.00 0.00 C ATOM 189 O PRO A 326 0.375 10.355 13.708 1.00 0.00 O ATOM 190 CB PRO A 326 -2.780 10.205 14.083 1.00 0.00 C ATOM 191 CG PRO A 326 -3.440 9.429 15.171 1.00 0.00 C ATOM 192 CD PRO A 326 -3.471 8.006 14.682 1.00 0.00 C ATOM 0 HA PRO A 326 -1.602 9.390 12.431 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -2.310 11.110 14.469 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -3.499 10.518 13.326 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -2.885 9.512 16.105 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.446 9.800 15.364 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.432 7.295 15.507 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.381 7.792 14.121 1.00 0.00 H new ATOM 200 N SER A 327 -0.012 8.613 15.081 1.00 0.00 N ATOM 201 CA SER A 327 1.293 8.687 15.725 1.00 0.00 C ATOM 202 C SER A 327 2.384 8.123 14.825 1.00 0.00 C ATOM 203 O SER A 327 3.573 8.338 15.064 1.00 0.00 O ATOM 204 CB SER A 327 1.265 7.947 17.048 1.00 0.00 C ATOM 205 OG SER A 327 1.074 6.569 16.876 1.00 0.00 O ATOM 0 H SER A 327 -0.617 7.873 15.439 1.00 0.00 H new ATOM 0 HA SER A 327 1.521 9.737 15.910 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.201 8.120 17.580 1.00 0.00 H new ATOM 0 HB3 SER A 327 0.466 8.349 17.671 1.00 0.00 H new ATOM 0 HG SER A 327 1.908 6.160 16.564 1.00 0.00 H new ATOM 211 N GLU A 328 1.974 7.399 13.789 1.00 0.00 N ATOM 212 CA GLU A 328 2.917 6.723 12.906 1.00 0.00 C ATOM 213 C GLU A 328 3.135 7.516 11.623 1.00 0.00 C ATOM 214 O GLU A 328 3.955 7.144 10.784 1.00 0.00 O ATOM 215 CB GLU A 328 2.424 5.313 12.573 1.00 0.00 C ATOM 216 CG GLU A 328 2.139 4.444 13.790 1.00 0.00 C ATOM 217 CD GLU A 328 3.303 4.438 14.743 1.00 0.00 C ATOM 218 OE1 GLU A 328 4.388 4.120 14.321 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.130 4.859 15.862 1.00 0.00 O1- ATOM 0 H GLU A 328 0.994 7.265 13.540 1.00 0.00 H new ATOM 0 HA GLU A 328 3.870 6.651 13.430 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.515 5.390 11.976 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.171 4.817 11.954 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.250 4.812 14.302 1.00 0.00 H new ATOM 0 HG3 GLU A 328 1.924 3.425 13.469 1.00 0.00 H new ATOM 226 N TYR A 329 2.397 8.611 11.478 1.00 0.00 N ATOM 227 CA TYR A 329 2.355 9.346 10.219 1.00 0.00 C ATOM 228 C TYR A 329 3.739 9.846 9.827 1.00 0.00 C ATOM 229 O TYR A 329 4.059 9.954 8.643 1.00 0.00 O ATOM 230 CB TYR A 329 1.381 10.522 10.318 1.00 0.00 C ATOM 231 CG TYR A 329 -0.074 10.124 10.206 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.440 8.793 10.059 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.078 11.080 10.250 1.00 0.00 C ATOM 234 CE1 TYR A 329 -1.767 8.424 9.956 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.409 10.722 10.148 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.749 9.393 10.001 1.00 0.00 C ATOM 237 OH TYR A 329 -4.073 9.031 9.901 1.00 0.00 O ATOM 0 H TYR A 329 1.819 9.010 12.218 1.00 0.00 H new ATOM 0 HA TYR A 329 2.007 8.662 9.445 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.536 11.030 11.270 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.613 11.240 9.531 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.326 8.033 10.025 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -0.815 12.121 10.366 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -2.035 7.384 9.841 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.179 11.479 10.183 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.169 8.326 9.227 1.00 0.00 H new ATOM 247 N GLU A 330 4.558 10.150 10.829 1.00 0.00 N ATOM 248 CA GLU A 330 5.892 10.687 10.590 1.00 0.00 C ATOM 249 C GLU A 330 6.757 9.696 9.820 1.00 0.00 C ATOM 250 O GLU A 330 7.370 10.044 8.812 1.00 0.00 O ATOM 251 CB GLU A 330 6.567 11.054 11.914 1.00 0.00 C ATOM 252 CG GLU A 330 7.967 11.633 11.767 1.00 0.00 C ATOM 253 CD GLU A 330 8.554 11.989 13.105 1.00 0.00 C ATOM 254 OE1 GLU A 330 7.886 11.800 14.094 1.00 0.00 O ATOM 255 OE2 GLU A 330 9.708 12.343 13.150 1.00 0.00 O1- ATOM 0 H GLU A 330 4.321 10.033 11.814 1.00 0.00 H new ATOM 0 HA GLU A 330 5.784 11.587 9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 330 5.942 11.776 12.439 1.00 0.00 H new ATOM 0 HB3 GLU A 330 6.619 10.163 12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 330 8.611 10.910 11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 330 7.931 12.521 11.135 1.00 0.00 H new ATOM 262 N ARG A 331 6.801 8.458 10.304 1.00 0.00 N ATOM 263 CA ARG A 331 7.646 7.433 9.704 1.00 0.00 C ATOM 264 C ARG A 331 7.029 6.891 8.421 1.00 0.00 C ATOM 265 O ARG A 331 7.739 6.454 7.516 1.00 0.00 O ATOM 266 CB ARG A 331 7.970 6.313 10.682 1.00 0.00 C ATOM 267 CG ARG A 331 8.941 6.692 11.789 1.00 0.00 C ATOM 268 CD ARG A 331 9.290 5.577 12.706 1.00 0.00 C ATOM 269 NE ARG A 331 10.281 5.914 13.714 1.00 0.00 N ATOM 270 CZ ARG A 331 10.728 5.066 14.662 1.00 0.00 C ATOM 271 NH1 ARG A 331 10.247 3.846 14.760 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 11.645 5.502 15.508 1.00 0.00 N ATOM 0 H ARG A 331 6.261 8.141 11.110 1.00 0.00 H new ATOM 0 HA ARG A 331 8.592 7.909 9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 331 7.042 5.966 11.136 1.00 0.00 H new ATOM 0 HB3 ARG A 331 8.386 5.473 10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 331 9.856 7.075 11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 331 8.509 7.505 12.373 1.00 0.00 H new ATOM 0 HD2 ARG A 331 8.383 5.237 13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 331 9.661 4.740 12.115 1.00 0.00 H new ATOM 0 HE ARG A 331 10.666 6.859 13.704 1.00 0.00 H new ATOM 0 HH11 ARG A 331 9.525 3.529 14.113 1.00 0.00 H new ATOM 0 HH12 ARG A 331 10.596 3.217 15.483 1.00 0.00 H new ATOM 0 HH21 ARG A 331 11.995 6.457 15.433 1.00 0.00 H new ATOM 0 HH22 ARG A 331 12.002 4.883 16.236 1.00 0.00 H new ATOM 286 N ILE A 332 5.702 6.922 8.350 1.00 0.00 N ATOM 287 CA ILE A 332 4.989 6.499 7.149 1.00 0.00 C ATOM 288 C ILE A 332 5.361 7.367 5.954 1.00 0.00 C ATOM 289 O ILE A 332 5.598 6.861 4.857 1.00 0.00 O ATOM 290 CB ILE A 332 3.464 6.546 7.353 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.025 5.471 8.349 1.00 0.00 C ATOM 292 CG2 ILE A 332 2.745 6.370 6.024 1.00 0.00 C ATOM 293 CD1 ILE A 332 1.617 5.657 8.868 1.00 0.00 C ATOM 0 H ILE A 332 5.098 7.236 9.110 1.00 0.00 H new ATOM 0 HA ILE A 332 5.287 5.469 6.951 1.00 0.00 H new ATOM 0 HB ILE A 332 3.198 7.521 7.761 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.100 4.494 7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 332 3.715 5.467 9.192 1.00 0.00 H new ATOM 0 HG21 ILE A 332 1.668 6.406 6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.037 7.170 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 332 3.015 5.408 5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 332 1.379 4.857 9.568 1.00 0.00 H new ATOM 0 HD12 ILE A 332 1.541 6.618 9.376 1.00 0.00 H new ATOM 0 HD13 ILE A 332 0.915 5.630 8.034 1.00 0.00 H new ATOM 305 N ALA A 333 5.408 8.676 6.173 1.00 0.00 N ATOM 306 CA ALA A 333 5.901 9.604 5.161 1.00 0.00 C ATOM 307 C ALA A 333 7.337 9.281 4.770 1.00 0.00 C ATOM 308 O ALA A 333 7.669 9.216 3.586 1.00 0.00 O ATOM 309 CB ALA A 333 5.794 11.038 5.660 1.00 0.00 C ATOM 0 H ALA A 333 5.111 9.119 7.042 1.00 0.00 H new ATOM 0 HA ALA A 333 5.280 9.495 4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 333 6.166 11.719 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.752 11.271 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 333 6.388 11.153 6.567 1.00 0.00 H new ATOM 315 N PHE A 334 8.186 9.078 5.772 1.00 0.00 N ATOM 316 CA PHE A 334 9.601 8.816 5.536 1.00 0.00 C ATOM 317 C PHE A 334 9.798 7.532 4.740 1.00 0.00 C ATOM 318 O PHE A 334 10.754 7.405 3.974 1.00 0.00 O ATOM 319 CB PHE A 334 10.358 8.734 6.863 1.00 0.00 C ATOM 320 CG PHE A 334 10.379 10.026 7.629 1.00 0.00 C ATOM 321 CD1 PHE A 334 9.925 11.200 7.049 1.00 0.00 C ATOM 322 CD2 PHE A 334 10.855 10.069 8.931 1.00 0.00 C ATOM 323 CE1 PHE A 334 9.945 12.390 7.752 1.00 0.00 C ATOM 324 CE2 PHE A 334 10.875 11.256 9.637 1.00 0.00 C ATOM 325 CZ PHE A 334 10.420 12.418 9.046 1.00 0.00 C ATOM 0 H PHE A 334 7.918 9.090 6.756 1.00 0.00 H new ATOM 0 HA PHE A 334 10.001 9.644 4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 334 9.903 7.962 7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.384 8.422 6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 334 9.551 11.185 6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 334 11.214 9.164 9.398 1.00 0.00 H new ATOM 0 HE1 PHE A 334 9.589 13.298 7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 334 11.246 11.275 10.651 1.00 0.00 H new ATOM 0 HZ PHE A 334 10.436 13.347 9.596 1.00 0.00 H new ATOM 335 N GLN A 335 8.887 6.582 4.925 1.00 0.00 N ATOM 336 CA GLN A 335 8.965 5.301 4.232 1.00 0.00 C ATOM 337 C GLN A 335 8.801 5.479 2.727 1.00 0.00 C ATOM 338 O GLN A 335 9.382 4.734 1.938 1.00 0.00 O ATOM 339 CB GLN A 335 7.895 4.341 4.758 1.00 0.00 C ATOM 340 CG GLN A 335 7.981 2.938 4.184 1.00 0.00 C ATOM 341 CD GLN A 335 9.285 2.246 4.536 1.00 0.00 C ATOM 342 OE1 GLN A 335 9.735 2.288 5.684 1.00 0.00 O ATOM 343 NE2 GLN A 335 9.901 1.610 3.546 1.00 0.00 N ATOM 0 H GLN A 335 8.086 6.675 5.549 1.00 0.00 H new ATOM 0 HA GLN A 335 9.951 4.879 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 335 7.977 4.283 5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 335 6.911 4.753 4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 335 7.146 2.344 4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 335 7.880 2.985 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 335 9.491 1.602 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 335 10.784 1.130 3.720 1.00 0.00 H new ATOM 352 N HIS A 336 8.007 6.470 2.336 1.00 0.00 N ATOM 353 CA HIS A 336 7.685 6.685 0.931 1.00 0.00 C ATOM 354 C HIS A 336 8.478 7.852 0.356 1.00 0.00 C ATOM 355 O HIS A 336 8.271 8.250 -0.790 1.00 0.00 O ATOM 356 CB HIS A 336 6.184 6.932 0.751 1.00 0.00 C ATOM 357 CG HIS A 336 5.346 5.706 0.937 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.006 5.218 2.182 1.00 0.00 N ATOM 359 CD2 HIS A 336 4.779 4.868 0.037 1.00 0.00 C ATOM 360 CE1 HIS A 336 4.266 4.132 2.038 1.00 0.00 C ATOM 361 NE2 HIS A 336 4.114 3.899 0.747 1.00 0.00 N ATOM 0 H HIS A 336 7.574 7.138 2.974 1.00 0.00 H new ATOM 0 HA HIS A 336 7.961 5.782 0.387 1.00 0.00 H new ATOM 0 HB2 HIS A 336 5.862 7.693 1.462 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.008 7.334 -0.247 1.00 0.00 H new ATOM 0 HD1 HIS A 336 5.282 5.630 3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 336 4.839 4.947 -1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 336 3.855 3.536 2.840 1.00 0.00 H new ATOM 368 N GLY A 337 9.384 8.397 1.160 1.00 0.00 N ATOM 369 CA GLY A 337 10.227 9.504 0.723 1.00 0.00 C ATOM 370 C GLY A 337 9.457 10.818 0.727 1.00 0.00 C ATOM 371 O GLY A 337 9.835 11.773 0.048 1.00 0.00 O ATOM 0 H GLY A 337 9.554 8.090 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.094 9.585 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 337 10.604 9.304 -0.280 1.00 0.00 H new ATOM 375 N VAL A 338 8.374 10.861 1.496 1.00 0.00 N ATOM 376 CA VAL A 338 7.543 12.056 1.583 1.00 0.00 C ATOM 377 C VAL A 338 8.073 13.020 2.637 1.00 0.00 C ATOM 378 O VAL A 338 8.267 12.645 3.793 1.00 0.00 O ATOM 379 CB VAL A 338 6.080 11.704 1.913 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.260 12.969 2.112 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.477 10.848 0.810 1.00 0.00 C ATOM 0 H VAL A 338 8.051 10.081 2.068 1.00 0.00 H new ATOM 0 HA VAL A 338 7.580 12.536 0.605 1.00 0.00 H new ATOM 0 HB VAL A 338 6.064 11.133 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.229 12.702 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.679 13.548 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.283 13.565 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.443 10.609 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 338 5.506 11.395 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.049 9.926 0.711 1.00 0.00 H new ATOM 391 N THR A 339 8.305 14.264 2.231 1.00 0.00 N ATOM 392 CA THR A 339 8.715 15.310 3.160 1.00 0.00 C ATOM 393 C THR A 339 7.539 16.198 3.543 1.00 0.00 C ATOM 394 O THR A 339 7.516 16.784 4.625 1.00 0.00 O ATOM 395 CB THR A 339 9.836 16.184 2.569 1.00 0.00 C ATOM 396 OG1 THR A 339 9.367 16.821 1.372 1.00 0.00 O ATOM 397 CG2 THR A 339 11.057 15.337 2.243 1.00 0.00 C ATOM 0 H THR A 339 8.216 14.572 1.263 1.00 0.00 H new ATOM 0 HA THR A 339 9.092 14.808 4.051 1.00 0.00 H new ATOM 0 HB THR A 339 10.116 16.938 3.305 1.00 0.00 H new ATOM 0 HG1 THR A 339 10.080 17.379 0.997 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.839 15.971 1.826 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.423 14.860 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.785 14.571 1.516 1.00 0.00 H new ATOM 405 N ASP A 340 6.563 16.297 2.646 1.00 0.00 N ATOM 406 CA ASP A 340 5.333 17.027 2.930 1.00 0.00 C ATOM 407 C ASP A 340 4.238 16.091 3.422 1.00 0.00 C ATOM 408 O ASP A 340 3.378 15.666 2.650 1.00 0.00 O ATOM 409 CB ASP A 340 4.859 17.784 1.686 1.00 0.00 C ATOM 410 CG ASP A 340 3.661 18.694 1.922 1.00 0.00 C ATOM 411 OD1 ASP A 340 3.165 18.717 3.024 1.00 0.00 O ATOM 412 OD2 ASP A 340 3.350 19.471 1.051 1.00 0.00 O1- ATOM 0 H ASP A 340 6.600 15.880 1.716 1.00 0.00 H new ATOM 0 HA ASP A 340 5.547 17.746 3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.685 18.383 1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.604 17.061 0.911 1.00 0.00 H new ATOM 417 N LEU A 341 4.272 15.774 4.713 1.00 0.00 N ATOM 418 CA LEU A 341 3.282 14.886 5.310 1.00 0.00 C ATOM 419 C LEU A 341 1.875 15.446 5.155 1.00 0.00 C ATOM 420 O LEU A 341 0.962 14.746 4.718 1.00 0.00 O ATOM 421 CB LEU A 341 3.605 14.654 6.791 1.00 0.00 C ATOM 422 CG LEU A 341 2.535 13.888 7.580 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.328 12.507 6.973 1.00 0.00 C ATOM 424 CD2 LEU A 341 2.958 13.779 9.038 1.00 0.00 C ATOM 0 H LEU A 341 4.976 16.120 5.366 1.00 0.00 H new ATOM 0 HA LEU A 341 3.322 13.932 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.546 14.107 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.763 15.621 7.268 1.00 0.00 H new ATOM 0 HG LEU A 341 1.590 14.428 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.567 11.971 7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 341 2.004 12.610 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 341 3.265 11.951 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.197 13.235 9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 341 3.907 13.246 9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 341 3.073 14.778 9.459 1.00 0.00 H new ATOM 436 N ARG A 342 1.704 16.713 5.516 1.00 0.00 N ATOM 437 CA ARG A 342 0.390 17.343 5.506 1.00 0.00 C ATOM 438 C ARG A 342 -0.213 17.336 4.108 1.00 0.00 C ATOM 439 O ARG A 342 -1.428 17.210 3.945 1.00 0.00 O ATOM 440 CB ARG A 342 0.421 18.747 6.092 1.00 0.00 C ATOM 441 CG ARG A 342 0.596 18.807 7.601 1.00 0.00 C ATOM 442 CD ARG A 342 0.632 20.183 8.159 1.00 0.00 C ATOM 443 NE ARG A 342 0.763 20.242 9.606 1.00 0.00 N ATOM 444 CZ ARG A 342 0.859 21.381 10.319 1.00 0.00 C ATOM 445 NH1 ARG A 342 0.876 22.554 9.724 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 0.959 21.288 11.634 1.00 0.00 N ATOM 0 H ARG A 342 2.461 17.325 5.820 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.255 16.747 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.234 19.302 5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.506 19.256 5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -0.220 18.258 8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 342 1.520 18.295 7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 342 1.465 20.723 7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 342 -0.280 20.704 7.868 1.00 0.00 H new ATOM 0 HE ARG A 342 0.784 19.359 10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 342 0.816 22.611 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 342 0.949 23.406 10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 342 0.962 20.372 12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 342 1.033 22.133 12.201 1.00 0.00 H new ATOM 460 N GLY A 343 0.641 17.472 3.099 1.00 0.00 N ATOM 461 CA GLY A 343 0.210 17.362 1.710 1.00 0.00 C ATOM 462 C GLY A 343 -0.430 16.007 1.437 1.00 0.00 C ATOM 463 O GLY A 343 -1.450 15.919 0.754 1.00 0.00 O ATOM 0 H GLY A 343 1.637 17.659 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.502 18.156 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 343 1.065 17.503 1.049 1.00 0.00 H new ATOM 467 N MET A 344 0.174 14.953 1.975 1.00 0.00 N ATOM 468 CA MET A 344 -0.351 13.603 1.811 1.00 0.00 C ATOM 469 C MET A 344 -1.562 13.370 2.705 1.00 0.00 C ATOM 470 O MET A 344 -2.414 12.534 2.406 1.00 0.00 O ATOM 471 CB MET A 344 0.736 12.574 2.117 1.00 0.00 C ATOM 472 CG MET A 344 1.885 12.556 1.117 1.00 0.00 C ATOM 473 SD MET A 344 1.340 12.181 -0.561 1.00 0.00 S ATOM 474 CE MET A 344 1.261 13.824 -1.266 1.00 0.00 C ATOM 0 H MET A 344 1.029 15.008 2.529 1.00 0.00 H new ATOM 0 HA MET A 344 -0.670 13.488 0.775 1.00 0.00 H new ATOM 0 HB2 MET A 344 1.138 12.773 3.110 1.00 0.00 H new ATOM 0 HB3 MET A 344 0.283 11.583 2.149 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.384 13.525 1.125 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.622 11.816 1.429 1.00 0.00 H new ATOM 0 HE1 MET A 344 0.593 13.819 -2.127 1.00 0.00 H new ATOM 0 HE2 MET A 344 0.884 14.523 -0.519 1.00 0.00 H new ATOM 0 HE3 MET A 344 2.258 14.133 -1.582 1.00 0.00 H new ATOM 484 N LEU A 345 -1.634 14.116 3.802 1.00 0.00 N ATOM 485 CA LEU A 345 -2.789 14.064 4.690 1.00 0.00 C ATOM 486 C LEU A 345 -3.984 14.787 4.082 1.00 0.00 C ATOM 487 O LEU A 345 -5.130 14.536 4.454 1.00 0.00 O ATOM 488 CB LEU A 345 -2.437 14.670 6.054 1.00 0.00 C ATOM 489 CG LEU A 345 -1.374 13.903 6.854 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.084 14.625 8.162 1.00 0.00 C ATOM 491 CD2 LEU A 345 -1.858 12.486 7.116 1.00 0.00 C ATOM 0 H LEU A 345 -0.905 14.765 4.098 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.063 13.018 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.087 15.691 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.346 14.731 6.653 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.450 13.856 6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.329 14.074 8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.717 15.629 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -1.998 14.690 8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.103 11.943 7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -2.787 12.518 7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.032 11.980 6.167 1.00 0.00 H new ATOM 503 N LYS A 346 -3.709 15.687 3.143 1.00 0.00 N ATOM 504 CA LYS A 346 -4.757 16.286 2.326 1.00 0.00 C ATOM 505 C LYS A 346 -5.210 15.334 1.226 1.00 0.00 C ATOM 506 O LYS A 346 -6.327 15.440 0.720 1.00 0.00 O ATOM 507 CB LYS A 346 -4.275 17.604 1.716 1.00 0.00 C ATOM 508 CG LYS A 346 -4.099 18.733 2.721 1.00 0.00 C ATOM 509 CD LYS A 346 -3.577 19.995 2.049 1.00 0.00 C ATOM 510 CE LYS A 346 -3.369 21.115 3.058 1.00 0.00 C ATOM 511 NZ LYS A 346 -2.848 22.352 2.415 1.00 0.00 N1+ ATOM 0 H LYS A 346 -2.768 16.017 2.929 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.610 16.488 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.324 17.431 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -4.987 17.920 0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.053 18.944 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -3.407 18.422 3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -2.635 19.778 1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.281 20.319 1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.313 21.335 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -2.672 20.785 3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -2.720 23.091 3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -1.934 22.149 1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.525 22.682 1.698 1.00 0.00 H new ATOM 525 N ARG A 347 -4.335 14.404 0.858 1.00 0.00 N ATOM 526 CA ARG A 347 -4.670 13.384 -0.128 1.00 0.00 C ATOM 527 C ARG A 347 -5.592 12.327 0.466 1.00 0.00 C ATOM 528 O ARG A 347 -6.202 11.542 -0.260 1.00 0.00 O ATOM 529 CB ARG A 347 -3.431 12.757 -0.749 1.00 0.00 C ATOM 530 CG ARG A 347 -2.570 13.711 -1.562 1.00 0.00 C ATOM 531 CD ARG A 347 -3.098 14.006 -2.919 1.00 0.00 C ATOM 532 NE ARG A 347 -2.266 14.900 -3.708 1.00 0.00 N ATOM 533 CZ ARG A 347 -2.542 15.290 -4.967 1.00 0.00 C ATOM 534 NH1 ARG A 347 -3.603 14.838 -5.600 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -1.704 16.120 -5.562 1.00 0.00 N ATOM 0 H ARG A 347 -3.387 14.336 1.229 1.00 0.00 H new ATOM 0 HA ARG A 347 -5.208 13.882 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -2.821 12.328 0.046 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -3.742 11.933 -1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -2.468 14.647 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -1.570 13.287 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -3.217 13.068 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -4.091 14.445 -2.821 1.00 0.00 H new ATOM 0 HE ARG A 347 -1.413 15.257 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -4.232 14.182 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 347 -3.797 15.144 -6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -0.874 16.448 -5.068 1.00 0.00 H new ATOM 0 HH22 ARG A 347 -1.887 16.433 -6.515 1.00 0.00 H new ATOM 549 N LEU A 348 -5.690 12.311 1.791 1.00 0.00 N ATOM 550 CA LEU A 348 -6.624 11.429 2.480 1.00 0.00 C ATOM 551 C LEU A 348 -8.066 11.862 2.246 1.00 0.00 C ATOM 552 O LEU A 348 -8.984 11.044 2.294 1.00 0.00 O ATOM 553 CB LEU A 348 -6.314 11.395 3.981 1.00 0.00 C ATOM 554 CG LEU A 348 -4.976 10.747 4.358 1.00 0.00 C ATOM 555 CD1 LEU A 348 -4.738 10.871 5.857 1.00 0.00 C ATOM 556 CD2 LEU A 348 -4.980 9.286 3.932 1.00 0.00 C ATOM 0 H LEU A 348 -5.133 12.900 2.410 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.504 10.426 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -6.324 12.417 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -7.115 10.858 4.489 1.00 0.00 H new ATOM 0 HG LEU A 348 -4.166 11.261 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -3.785 10.408 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -4.716 11.924 6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -5.542 10.370 6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -4.029 8.826 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -5.792 8.762 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -5.123 9.222 2.853 1.00 0.00 H new ATOM 568 N LYS A 349 -8.257 13.151 1.993 1.00 0.00 N ATOM 569 CA LYS A 349 -9.589 13.698 1.762 1.00 0.00 C ATOM 570 C LYS A 349 -9.954 13.654 0.284 1.00 0.00 C ATOM 571 O LYS A 349 -10.341 12.631 -0.208 1.00 0.00 O ATOM 572 CB LYS A 349 -9.676 15.134 2.282 1.00 0.00 C ATOM 573 CG LYS A 349 -9.566 15.261 3.797 1.00 0.00 C ATOM 574 CD LYS A 349 -9.632 16.717 4.235 1.00 0.00 C ATOM 575 CE LYS A 349 -9.506 16.847 5.746 1.00 0.00 C ATOM 576 NZ LYS A 349 -9.547 18.267 6.187 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.505 13.838 1.942 1.00 0.00 H new ATOM 0 HA LYS A 349 -10.302 13.080 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -8.883 15.723 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -10.623 15.567 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -10.371 14.699 4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -8.628 14.820 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -8.834 17.281 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -10.575 17.155 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -10.314 16.294 6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -8.571 16.393 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -9.458 18.312 7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -8.761 18.789 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -10.450 18.694 5.898 1.00 0.00 H new