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=-0.95) USER MOD Single : A 327 SER OG : rot 180:sc= 0 USER MOD Single : A 329 TYR OH : rot -38:sc= 0.985 USER MOD Single : A 335 GLN : amide:sc= -0.0516 X(o=-0.052,f=-0.19) USER MOD Single : A 336 HIS : no HE2:sc= -0.116 X(o=-0.12,f=-0.42) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl 143:sc= -0.364 (180deg=-0.736) 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 0.916 6.234 -0.479 1.00 0.00 N ATOM 29 CA VAL A 317 1.382 6.587 0.857 1.00 0.00 C ATOM 30 C VAL A 317 0.229 7.046 1.741 1.00 0.00 C ATOM 31 O VAL A 317 0.147 6.678 2.912 1.00 0.00 O ATOM 32 CB VAL A 317 2.451 7.696 0.807 1.00 0.00 C ATOM 33 CG1 VAL A 317 2.785 8.176 2.211 1.00 0.00 C ATOM 34 CG2 VAL A 317 3.703 7.198 0.103 1.00 0.00 C ATOM 0 HA VAL A 317 1.824 5.687 1.283 1.00 0.00 H new ATOM 0 HB VAL A 317 2.049 8.537 0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 317 3.541 8.959 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 317 1.886 8.572 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 317 3.167 7.342 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 317 4.447 7.994 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 317 4.107 6.341 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.454 6.901 -0.916 1.00 0.00 H new ATOM 44 N TRP A 318 -0.661 7.852 1.171 1.00 0.00 N ATOM 45 CA TRP A 318 -1.793 8.390 1.916 1.00 0.00 C ATOM 46 C TRP A 318 -2.872 7.333 2.120 1.00 0.00 C ATOM 47 O TRP A 318 -3.689 7.436 3.034 1.00 0.00 O ATOM 48 CB TRP A 318 -2.378 9.604 1.192 1.00 0.00 C ATOM 49 CG TRP A 318 -2.849 9.302 -0.198 1.00 0.00 C ATOM 50 CD1 TRP A 318 -2.138 9.452 -1.352 1.00 0.00 C ATOM 51 CD2 TRP A 318 -4.134 8.797 -0.583 1.00 0.00 C ATOM 52 NE1 TRP A 318 -2.898 9.075 -2.430 1.00 0.00 N ATOM 53 CE2 TRP A 318 -4.130 8.667 -1.983 1.00 0.00 C ATOM 54 CE3 TRP A 318 -5.289 8.443 0.126 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -5.228 8.201 -2.689 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.390 7.975 -0.583 1.00 0.00 C ATOM 57 CH2 TRP A 318 -6.360 7.856 -1.950 1.00 0.00 C ATOM 0 H TRP A 318 -0.620 8.147 0.195 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.431 8.700 2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.213 9.996 1.773 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.624 10.389 1.149 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -1.123 9.815 -1.409 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -2.597 9.095 -3.404 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.324 8.532 1.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -5.208 8.109 -3.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -7.286 7.700 -0.047 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -7.234 7.486 -2.466 1.00 0.00 H new ATOM 68 N GLU A 319 -2.868 6.319 1.262 1.00 0.00 N ATOM 69 CA GLU A 319 -3.707 5.143 1.463 1.00 0.00 C ATOM 70 C GLU A 319 -3.197 4.296 2.622 1.00 0.00 C ATOM 71 O GLU A 319 -3.981 3.670 3.338 1.00 0.00 O ATOM 72 CB GLU A 319 -3.768 4.303 0.185 1.00 0.00 C ATOM 73 CG GLU A 319 -4.598 4.919 -0.933 1.00 0.00 C ATOM 74 CD GLU A 319 -4.510 4.103 -2.192 1.00 0.00 C ATOM 75 OE1 GLU A 319 -3.741 3.171 -2.221 1.00 0.00 O ATOM 76 OE2 GLU A 319 -5.291 4.337 -3.083 1.00 0.00 O1- ATOM 0 H GLU A 319 -2.293 6.288 0.420 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.712 5.488 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.753 4.142 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -4.178 3.323 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -5.639 4.993 -0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -4.251 5.933 -1.130 1.00 0.00 H new ATOM 83 N ILE A 320 -1.881 4.279 2.802 1.00 0.00 N ATOM 84 CA ILE A 320 -1.277 3.664 3.978 1.00 0.00 C ATOM 85 C ILE A 320 -1.558 4.480 5.233 1.00 0.00 C ATOM 86 O ILE A 320 -1.900 3.930 6.280 1.00 0.00 O ATOM 87 CB ILE A 320 0.245 3.502 3.812 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.556 2.485 2.711 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.881 3.080 5.127 1.00 0.00 C ATOM 90 CD1 ILE A 320 2.005 2.480 2.277 1.00 0.00 C ATOM 0 H ILE A 320 -1.212 4.684 2.148 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.728 2.677 4.083 1.00 0.00 H new ATOM 0 HB ILE A 320 0.667 4.464 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.288 1.489 3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 320 -0.072 2.697 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.957 2.970 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.686 3.838 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 320 0.456 2.129 5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 320 2.148 1.734 1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 320 2.273 3.464 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 320 2.639 2.238 3.130 1.00 0.00 H new ATOM 102 N LEU A 321 -1.412 5.796 5.121 1.00 0.00 N ATOM 103 CA LEU A 321 -1.676 6.694 6.240 1.00 0.00 C ATOM 104 C LEU A 321 -3.123 6.587 6.702 1.00 0.00 C ATOM 105 O LEU A 321 -3.424 6.775 7.881 1.00 0.00 O ATOM 106 CB LEU A 321 -1.347 8.140 5.847 1.00 0.00 C ATOM 107 CG LEU A 321 0.138 8.424 5.588 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.309 9.825 5.017 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.919 8.272 6.885 1.00 0.00 C ATOM 0 H LEU A 321 -1.112 6.265 4.266 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.036 6.398 7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -1.911 8.393 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -1.695 8.803 6.639 1.00 0.00 H new ATOM 0 HG LEU A 321 0.523 7.709 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.367 10.018 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 321 -0.240 9.905 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 321 -0.077 10.557 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 321 1.974 8.474 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.538 8.977 7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 321 0.805 7.256 7.262 1.00 0.00 H new ATOM 121 N ARG A 322 -4.017 6.283 5.768 1.00 0.00 N ATOM 122 CA ARG A 322 -5.433 6.125 6.083 1.00 0.00 C ATOM 123 C ARG A 322 -5.635 5.158 7.242 1.00 0.00 C ATOM 124 O ARG A 322 -6.473 5.386 8.114 1.00 0.00 O ATOM 125 CB ARG A 322 -6.249 5.715 4.866 1.00 0.00 C ATOM 126 CG ARG A 322 -7.741 5.560 5.120 1.00 0.00 C ATOM 127 CD ARG A 322 -8.532 5.196 3.917 1.00 0.00 C ATOM 128 NE ARG A 322 -9.960 5.062 4.153 1.00 0.00 N ATOM 129 CZ ARG A 322 -10.555 3.954 4.636 1.00 0.00 C ATOM 130 NH1 ARG A 322 -9.858 2.871 4.901 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -11.864 3.976 4.816 1.00 0.00 N ATOM 0 H ARG A 322 -3.786 6.141 4.785 1.00 0.00 H new ATOM 0 HA ARG A 322 -5.803 7.102 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.104 6.458 4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -5.859 4.770 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -7.890 4.796 5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -8.128 6.495 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.373 5.954 3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -8.152 4.255 3.519 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.553 5.863 3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -8.851 2.861 4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -10.325 2.041 5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.396 4.817 4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -12.343 3.152 5.180 1.00 0.00 H new ATOM 145 N GLN A 323 -4.860 4.078 7.246 1.00 0.00 N ATOM 146 CA GLN A 323 -5.039 3.012 8.225 1.00 0.00 C ATOM 147 C GLN A 323 -3.907 3.005 9.245 1.00 0.00 C ATOM 148 O GLN A 323 -3.972 2.303 10.254 1.00 0.00 O ATOM 149 CB GLN A 323 -5.113 1.652 7.528 1.00 0.00 C ATOM 150 CG GLN A 323 -6.313 1.488 6.610 1.00 0.00 C ATOM 151 CD GLN A 323 -6.351 0.124 5.945 1.00 0.00 C ATOM 152 OE1 GLN A 323 -5.621 -0.792 6.334 1.00 0.00 O ATOM 153 NE2 GLN A 323 -7.201 -0.017 4.935 1.00 0.00 N ATOM 0 H GLN A 323 -4.102 3.918 6.582 1.00 0.00 H new ATOM 0 HA GLN A 323 -5.976 3.198 8.750 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -4.202 1.504 6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -5.139 0.869 8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -7.228 1.635 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -6.289 2.262 5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -7.786 0.768 4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -7.269 -0.910 4.447 1.00 0.00 H new ATOM 162 N ALA A 324 -2.870 3.791 8.976 1.00 0.00 N ATOM 163 CA ALA A 324 -1.732 3.895 9.880 1.00 0.00 C ATOM 164 C ALA A 324 -2.077 4.726 11.108 1.00 0.00 C ATOM 165 O ALA A 324 -2.944 5.599 11.055 1.00 0.00 O ATOM 166 CB ALA A 324 -0.532 4.486 9.156 1.00 0.00 C ATOM 0 H ALA A 324 -2.795 4.366 8.137 1.00 0.00 H new ATOM 0 HA ALA A 324 -1.477 2.890 10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 324 0.310 4.557 9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -0.261 3.845 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -0.783 5.480 8.786 1.00 0.00 H new ATOM 172 N PRO A 325 -1.395 4.451 12.214 1.00 0.00 N ATOM 173 CA PRO A 325 -1.560 5.235 13.432 1.00 0.00 C ATOM 174 C PRO A 325 -1.254 6.707 13.185 1.00 0.00 C ATOM 175 O PRO A 325 -0.236 7.047 12.584 1.00 0.00 O ATOM 176 CB PRO A 325 -0.578 4.602 14.423 1.00 0.00 C ATOM 177 CG PRO A 325 -0.358 3.224 13.898 1.00 0.00 C ATOM 178 CD PRO A 325 -0.405 3.356 12.399 1.00 0.00 C ATOM 0 HA PRO A 325 -2.583 5.219 13.808 1.00 0.00 H new ATOM 0 HB2 PRO A 325 0.355 5.163 14.471 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -0.989 4.582 15.432 1.00 0.00 H new ATOM 0 HG2 PRO A 325 0.602 2.826 14.228 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -1.127 2.539 14.257 1.00 0.00 H new ATOM 0 HD2 PRO A 325 0.569 3.612 11.982 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -0.725 2.432 11.918 1.00 0.00 H new ATOM 186 N PRO A 326 -2.142 7.577 13.653 1.00 0.00 N ATOM 187 CA PRO A 326 -1.971 9.015 13.479 1.00 0.00 C ATOM 188 C PRO A 326 -0.622 9.478 14.013 1.00 0.00 C ATOM 189 O PRO A 326 -0.001 10.384 13.458 1.00 0.00 O ATOM 190 CB PRO A 326 -3.140 9.628 14.259 1.00 0.00 C ATOM 191 CG PRO A 326 -4.196 8.576 14.233 1.00 0.00 C ATOM 192 CD PRO A 326 -3.457 7.267 14.319 1.00 0.00 C ATOM 0 HA PRO A 326 -1.978 9.317 12.432 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -2.850 9.875 15.280 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -3.487 10.551 13.794 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -4.888 8.693 15.067 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.787 8.635 13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.321 6.947 15.352 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -3.991 6.467 13.806 1.00 0.00 H new ATOM 200 N SER A 327 -0.172 8.849 15.094 1.00 0.00 N ATOM 201 CA SER A 327 1.058 9.259 15.762 1.00 0.00 C ATOM 202 C SER A 327 2.285 8.824 14.972 1.00 0.00 C ATOM 203 O SER A 327 3.386 9.331 15.187 1.00 0.00 O ATOM 204 CB SER A 327 1.104 8.688 17.166 1.00 0.00 C ATOM 205 OG SER A 327 1.208 7.291 17.164 1.00 0.00 O ATOM 0 H SER A 327 -0.641 8.053 15.526 1.00 0.00 H new ATOM 0 HA SER A 327 1.066 10.347 15.821 1.00 0.00 H new ATOM 0 HB2 SER A 327 1.952 9.113 17.702 1.00 0.00 H new ATOM 0 HB3 SER A 327 0.205 8.983 17.707 1.00 0.00 H new ATOM 0 HG SER A 327 1.236 6.964 18.087 1.00 0.00 H new ATOM 211 N GLU A 328 2.090 7.881 14.056 1.00 0.00 N ATOM 212 CA GLU A 328 3.192 7.330 13.276 1.00 0.00 C ATOM 213 C GLU A 328 3.153 7.831 11.838 1.00 0.00 C ATOM 214 O GLU A 328 3.790 7.256 10.954 1.00 0.00 O ATOM 215 CB GLU A 328 3.154 5.800 13.302 1.00 0.00 C ATOM 216 CG GLU A 328 3.360 5.190 14.682 1.00 0.00 C ATOM 217 CD GLU A 328 3.368 3.688 14.619 1.00 0.00 C ATOM 218 OE1 GLU A 328 3.284 3.158 13.537 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.572 3.072 15.638 1.00 0.00 O1- ATOM 0 H GLU A 328 1.178 7.482 13.836 1.00 0.00 H new ATOM 0 HA GLU A 328 4.124 7.668 13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 328 2.194 5.466 12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.923 5.418 12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 328 4.302 5.544 15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 328 2.567 5.524 15.352 1.00 0.00 H new ATOM 226 N TYR A 329 2.403 8.903 11.610 1.00 0.00 N ATOM 227 CA TYR A 329 2.245 9.456 10.270 1.00 0.00 C ATOM 228 C TYR A 329 3.567 9.991 9.735 1.00 0.00 C ATOM 229 O TYR A 329 3.826 9.943 8.533 1.00 0.00 O ATOM 230 CB TYR A 329 1.191 10.565 10.270 1.00 0.00 C ATOM 231 CG TYR A 329 -0.229 10.062 10.132 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.494 8.710 9.971 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.301 10.941 10.166 1.00 0.00 C ATOM 234 CE1 TYR A 329 -1.789 8.246 9.844 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.599 10.489 10.041 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.840 9.139 9.881 1.00 0.00 C ATOM 237 OH TYR A 329 -4.132 8.682 9.756 1.00 0.00 O ATOM 0 H TYR A 329 1.894 9.407 12.336 1.00 0.00 H new ATOM 0 HA TYR A 329 1.913 8.651 9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.276 11.133 11.196 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.403 11.254 9.452 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.326 8.008 9.944 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -1.117 11.998 10.292 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -1.978 7.190 9.716 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.422 11.188 10.068 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.159 7.952 9.103 1.00 0.00 H new ATOM 247 N GLU A 330 4.400 10.501 10.636 1.00 0.00 N ATOM 248 CA GLU A 330 5.712 11.017 10.260 1.00 0.00 C ATOM 249 C GLU A 330 6.657 9.888 9.869 1.00 0.00 C ATOM 250 O GLU A 330 7.380 9.987 8.878 1.00 0.00 O ATOM 251 CB GLU A 330 6.314 11.833 11.406 1.00 0.00 C ATOM 252 CG GLU A 330 5.614 13.158 11.669 1.00 0.00 C ATOM 253 CD GLU A 330 6.180 13.845 12.880 1.00 0.00 C ATOM 254 OE1 GLU A 330 7.033 13.275 13.519 1.00 0.00 O ATOM 255 OE2 GLU A 330 5.845 14.984 13.105 1.00 0.00 O1- ATOM 0 H GLU A 330 4.190 10.568 11.632 1.00 0.00 H new ATOM 0 HA GLU A 330 5.580 11.665 9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 330 6.286 11.234 12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 330 7.363 12.028 11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 330 5.719 13.806 10.799 1.00 0.00 H new ATOM 0 HG3 GLU A 330 4.547 12.986 11.812 1.00 0.00 H new ATOM 262 N ARG A 331 6.644 8.815 10.651 1.00 0.00 N ATOM 263 CA ARG A 331 7.512 7.671 10.398 1.00 0.00 C ATOM 264 C ARG A 331 7.147 6.983 9.088 1.00 0.00 C ATOM 265 O ARG A 331 8.024 6.570 8.328 1.00 0.00 O ATOM 266 CB ARG A 331 7.521 6.688 11.559 1.00 0.00 C ATOM 267 CG ARG A 331 8.275 7.162 12.792 1.00 0.00 C ATOM 268 CD ARG A 331 8.311 6.177 13.903 1.00 0.00 C ATOM 269 NE ARG A 331 9.110 6.589 15.046 1.00 0.00 N ATOM 270 CZ ARG A 331 9.339 5.826 16.133 1.00 0.00 C ATOM 271 NH1 ARG A 331 8.804 4.630 16.247 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 10.097 6.322 17.096 1.00 0.00 N ATOM 0 H ARG A 331 6.041 8.713 11.467 1.00 0.00 H new ATOM 0 HA ARG A 331 8.528 8.055 10.303 1.00 0.00 H new ATOM 0 HB2 ARG A 331 6.491 6.472 11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 331 7.962 5.751 11.219 1.00 0.00 H new ATOM 0 HG2 ARG A 331 9.298 7.407 12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 331 7.816 8.082 13.153 1.00 0.00 H new ATOM 0 HD2 ARG A 331 7.291 5.988 14.238 1.00 0.00 H new ATOM 0 HD3 ARG A 331 8.702 5.233 13.523 1.00 0.00 H new ATOM 0 HE ARG A 331 9.526 7.520 15.023 1.00 0.00 H new ATOM 0 HH11 ARG A 331 8.205 4.266 15.506 1.00 0.00 H new ATOM 0 HH12 ARG A 331 8.988 4.066 17.077 1.00 0.00 H new ATOM 0 HH21 ARG A 331 10.491 7.258 17.004 1.00 0.00 H new ATOM 0 HH22 ARG A 331 10.288 5.768 17.931 1.00 0.00 H new ATOM 286 N ILE A 332 5.850 6.863 8.830 1.00 0.00 N ATOM 287 CA ILE A 332 5.367 6.286 7.581 1.00 0.00 C ATOM 288 C ILE A 332 5.752 7.151 6.389 1.00 0.00 C ATOM 289 O ILE A 332 6.211 6.646 5.364 1.00 0.00 O ATOM 290 CB ILE A 332 3.839 6.101 7.597 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.439 5.055 8.642 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.338 5.699 6.218 1.00 0.00 C ATOM 293 CD1 ILE A 332 3.978 3.672 8.358 1.00 0.00 C ATOM 0 H ILE A 332 5.113 7.158 9.470 1.00 0.00 H new ATOM 0 HA ILE A 332 5.840 5.309 7.484 1.00 0.00 H new ATOM 0 HB ILE A 332 3.377 7.051 7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.793 5.379 9.621 1.00 0.00 H new ATOM 0 HG13 ILE A 332 2.351 5.007 8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.256 5.572 6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.593 6.476 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 332 3.805 4.760 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 332 3.653 2.987 9.141 1.00 0.00 H new ATOM 0 HD12 ILE A 332 3.603 3.326 7.395 1.00 0.00 H new ATOM 0 HD13 ILE A 332 5.067 3.704 8.333 1.00 0.00 H new ATOM 305 N ALA A 333 5.563 8.460 6.528 1.00 0.00 N ATOM 306 CA ALA A 333 5.897 9.400 5.465 1.00 0.00 C ATOM 307 C ALA A 333 7.350 9.247 5.031 1.00 0.00 C ATOM 308 O ALA A 333 7.635 9.003 3.858 1.00 0.00 O ATOM 309 CB ALA A 333 5.623 10.827 5.915 1.00 0.00 C ATOM 0 H ALA A 333 5.180 8.893 7.368 1.00 0.00 H new ATOM 0 HA ALA A 333 5.265 9.176 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 333 5.877 11.517 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.567 10.933 6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 333 6.228 11.054 6.793 1.00 0.00 H new ATOM 315 N PHE A 334 8.265 9.392 5.983 1.00 0.00 N ATOM 316 CA PHE A 334 9.692 9.392 5.681 1.00 0.00 C ATOM 317 C PHE A 334 10.167 8.005 5.271 1.00 0.00 C ATOM 318 O PHE A 334 11.174 7.862 4.576 1.00 0.00 O ATOM 319 CB PHE A 334 10.493 9.890 6.885 1.00 0.00 C ATOM 320 CG PHE A 334 10.432 11.377 7.082 1.00 0.00 C ATOM 321 CD1 PHE A 334 11.066 12.235 6.197 1.00 0.00 C ATOM 322 CD2 PHE A 334 9.739 11.921 8.153 1.00 0.00 C ATOM 323 CE1 PHE A 334 11.011 13.604 6.377 1.00 0.00 C ATOM 324 CE2 PHE A 334 9.681 13.290 8.335 1.00 0.00 C ATOM 325 CZ PHE A 334 10.318 14.131 7.447 1.00 0.00 C ATOM 0 H PHE A 334 8.044 9.511 6.972 1.00 0.00 H new ATOM 0 HA PHE A 334 9.857 10.069 4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 334 10.122 9.398 7.784 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.534 9.591 6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 334 11.609 11.829 5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 334 9.239 11.268 8.853 1.00 0.00 H new ATOM 0 HE1 PHE A 334 11.510 14.261 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 334 9.137 13.701 9.173 1.00 0.00 H new ATOM 0 HZ PHE A 334 10.274 15.201 7.589 1.00 0.00 H new ATOM 335 N GLN A 335 9.439 6.982 5.706 1.00 0.00 N ATOM 336 CA GLN A 335 9.719 5.611 5.296 1.00 0.00 C ATOM 337 C GLN A 335 9.566 5.445 3.790 1.00 0.00 C ATOM 338 O GLN A 335 10.239 4.617 3.176 1.00 0.00 O ATOM 339 CB GLN A 335 8.790 4.635 6.021 1.00 0.00 C ATOM 340 CG GLN A 335 9.072 3.171 5.724 1.00 0.00 C ATOM 341 CD GLN A 335 10.456 2.745 6.175 1.00 0.00 C ATOM 342 OE1 GLN A 335 10.888 3.063 7.287 1.00 0.00 O ATOM 343 NE2 GLN A 335 11.163 2.025 5.312 1.00 0.00 N ATOM 0 H GLN A 335 8.649 7.077 6.344 1.00 0.00 H new ATOM 0 HA GLN A 335 10.752 5.389 5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.875 4.799 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 335 7.759 4.858 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 335 8.325 2.552 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 335 8.972 2.995 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 335 10.767 1.785 4.403 1.00 0.00 H new ATOM 0 HE22 GLN A 335 12.102 1.712 5.558 1.00 0.00 H new ATOM 352 N HIS A 336 8.677 6.236 3.199 1.00 0.00 N ATOM 353 CA HIS A 336 8.401 6.147 1.771 1.00 0.00 C ATOM 354 C HIS A 336 9.038 7.303 1.012 1.00 0.00 C ATOM 355 O HIS A 336 8.769 7.504 -0.172 1.00 0.00 O ATOM 356 CB HIS A 336 6.890 6.119 1.512 1.00 0.00 C ATOM 357 CG HIS A 336 6.190 4.966 2.160 1.00 0.00 C ATOM 358 ND1 HIS A 336 6.470 3.653 1.845 1.00 0.00 N ATOM 359 CD2 HIS A 336 5.221 4.928 3.105 1.00 0.00 C ATOM 360 CE1 HIS A 336 5.704 2.856 2.570 1.00 0.00 C ATOM 361 NE2 HIS A 336 4.937 3.606 3.341 1.00 0.00 N ATOM 0 H HIS A 336 8.134 6.947 3.689 1.00 0.00 H new ATOM 0 HA HIS A 336 8.839 5.217 1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.451 7.049 1.874 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.715 6.081 0.437 1.00 0.00 H new ATOM 0 HD1 HIS A 336 7.160 3.345 1.160 1.00 0.00 H new ATOM 0 HD2 HIS A 336 4.758 5.779 3.583 1.00 0.00 H new ATOM 0 HE1 HIS A 336 5.705 1.776 2.538 1.00 0.00 H new ATOM 368 N GLY A 337 9.884 8.061 1.701 1.00 0.00 N ATOM 369 CA GLY A 337 10.627 9.147 1.072 1.00 0.00 C ATOM 370 C GLY A 337 9.771 10.401 0.952 1.00 0.00 C ATOM 371 O GLY A 337 10.072 11.296 0.161 1.00 0.00 O ATOM 0 H GLY A 337 10.073 7.943 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.520 9.367 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 337 10.963 8.836 0.083 1.00 0.00 H new ATOM 375 N VAL A 338 8.702 10.461 1.739 1.00 0.00 N ATOM 376 CA VAL A 338 7.802 11.608 1.724 1.00 0.00 C ATOM 377 C VAL A 338 8.152 12.597 2.830 1.00 0.00 C ATOM 378 O VAL A 338 8.216 12.232 4.003 1.00 0.00 O ATOM 379 CB VAL A 338 6.332 11.175 1.881 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.421 12.392 1.927 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.926 10.249 0.746 1.00 0.00 C ATOM 0 H VAL A 338 8.438 9.727 2.396 1.00 0.00 H new ATOM 0 HA VAL A 338 7.926 12.092 0.755 1.00 0.00 H new ATOM 0 HB VAL A 338 6.231 10.633 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.386 12.068 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.697 13.021 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.526 12.960 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.885 9.953 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 338 6.043 10.767 -0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.559 9.362 0.756 1.00 0.00 H new ATOM 391 N THR A 339 8.376 13.849 2.446 1.00 0.00 N ATOM 392 CA THR A 339 8.656 14.906 3.411 1.00 0.00 C ATOM 393 C THR A 339 7.427 15.773 3.651 1.00 0.00 C ATOM 394 O THR A 339 7.291 16.396 4.703 1.00 0.00 O ATOM 395 CB THR A 339 9.820 15.801 2.947 1.00 0.00 C ATOM 396 OG1 THR A 339 9.463 16.457 1.723 1.00 0.00 O ATOM 397 CG2 THR A 339 11.076 14.972 2.726 1.00 0.00 C ATOM 0 H THR A 339 8.369 14.157 1.474 1.00 0.00 H new ATOM 0 HA THR A 339 8.937 14.414 4.342 1.00 0.00 H new ATOM 0 HB THR A 339 10.019 16.543 3.721 1.00 0.00 H new ATOM 0 HG1 THR A 339 10.204 17.028 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.888 15.622 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.357 14.482 3.658 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.884 14.218 1.963 1.00 0.00 H new ATOM 405 N ASP A 340 6.534 15.807 2.668 1.00 0.00 N ATOM 406 CA ASP A 340 5.295 16.566 2.786 1.00 0.00 C ATOM 407 C ASP A 340 4.158 15.689 3.297 1.00 0.00 C ATOM 408 O ASP A 340 3.370 15.159 2.513 1.00 0.00 O ATOM 409 CB ASP A 340 4.915 17.187 1.439 1.00 0.00 C ATOM 410 CG ASP A 340 3.713 18.120 1.494 1.00 0.00 C ATOM 411 OD1 ASP A 340 3.142 18.262 2.548 1.00 0.00 O ATOM 412 OD2 ASP A 340 3.472 18.802 0.526 1.00 0.00 O1- ATOM 0 H ASP A 340 6.645 15.317 1.780 1.00 0.00 H new ATOM 0 HA ASP A 340 5.462 17.364 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.771 17.740 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.706 16.386 0.729 1.00 0.00 H new ATOM 417 N LEU A 341 4.078 15.541 4.614 1.00 0.00 N ATOM 418 CA LEU A 341 3.051 14.709 5.230 1.00 0.00 C ATOM 419 C LEU A 341 1.660 15.279 4.985 1.00 0.00 C ATOM 420 O LEU A 341 0.736 14.552 4.620 1.00 0.00 O ATOM 421 CB LEU A 341 3.313 14.573 6.736 1.00 0.00 C ATOM 422 CG LEU A 341 2.218 13.843 7.525 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.031 12.434 6.979 1.00 0.00 C ATOM 424 CD2 LEU A 341 2.594 13.805 8.999 1.00 0.00 C ATOM 0 H LEU A 341 4.713 15.987 5.277 1.00 0.00 H new ATOM 0 HA LEU A 341 3.095 13.721 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.255 14.044 6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.440 15.570 7.158 1.00 0.00 H new ATOM 0 HG LEU A 341 1.274 14.378 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.252 11.925 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.741 12.486 5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 341 2.966 11.881 7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 341 1.816 13.286 9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 341 3.541 13.278 9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 341 2.695 14.823 9.375 1.00 0.00 H new ATOM 436 N ARG A 342 1.517 16.585 5.187 1.00 0.00 N ATOM 437 CA ARG A 342 0.220 17.242 5.061 1.00 0.00 C ATOM 438 C ARG A 342 -0.327 17.112 3.646 1.00 0.00 C ATOM 439 O ARG A 342 -1.537 16.992 3.447 1.00 0.00 O ATOM 440 CB ARG A 342 0.269 18.695 5.509 1.00 0.00 C ATOM 441 CG ARG A 342 0.390 18.899 7.011 1.00 0.00 C ATOM 442 CD ARG A 342 0.451 20.321 7.433 1.00 0.00 C ATOM 443 NE ARG A 342 0.534 20.520 8.871 1.00 0.00 N ATOM 444 CZ ARG A 342 0.627 21.721 9.473 1.00 0.00 C ATOM 445 NH1 ARG A 342 0.688 22.829 8.769 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 0.680 21.756 10.793 1.00 0.00 N ATOM 0 H ARG A 342 2.283 17.210 5.439 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.468 16.728 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.114 19.182 5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.633 19.198 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -0.460 18.424 7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 342 1.286 18.389 7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 342 1.316 20.789 6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 342 -0.433 20.836 7.058 1.00 0.00 H new ATOM 0 HE ARG A 342 0.521 19.691 9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 342 0.665 22.788 7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 342 0.758 23.730 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 342 0.650 20.888 11.328 1.00 0.00 H new ATOM 0 HH22 ARG A 342 0.751 22.651 11.277 1.00 0.00 H new ATOM 460 N GLY A 343 0.568 17.136 2.665 1.00 0.00 N ATOM 461 CA GLY A 343 0.186 16.935 1.273 1.00 0.00 C ATOM 462 C GLY A 343 -0.458 15.569 1.071 1.00 0.00 C ATOM 463 O GLY A 343 -1.409 15.429 0.302 1.00 0.00 O ATOM 0 H GLY A 343 1.565 17.293 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.509 17.717 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 343 1.065 17.023 0.635 1.00 0.00 H new ATOM 467 N MET A 344 0.067 14.565 1.764 1.00 0.00 N ATOM 468 CA MET A 344 -0.494 13.220 1.711 1.00 0.00 C ATOM 469 C MET A 344 -1.792 13.133 2.504 1.00 0.00 C ATOM 470 O MET A 344 -2.697 12.379 2.151 1.00 0.00 O ATOM 471 CB MET A 344 0.517 12.204 2.239 1.00 0.00 C ATOM 472 CG MET A 344 1.742 12.018 1.355 1.00 0.00 C ATOM 473 SD MET A 344 1.327 11.400 -0.288 1.00 0.00 S ATOM 474 CE MET A 344 1.309 12.923 -1.228 1.00 0.00 C ATOM 0 H MET A 344 0.882 14.657 2.370 1.00 0.00 H new ATOM 0 HA MET A 344 -0.719 12.989 0.670 1.00 0.00 H new ATOM 0 HB2 MET A 344 0.844 12.517 3.231 1.00 0.00 H new ATOM 0 HB3 MET A 344 0.019 11.241 2.356 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.264 12.970 1.259 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.431 11.324 1.837 1.00 0.00 H new ATOM 0 HE1 MET A 344 1.716 12.741 -2.223 1.00 0.00 H new ATOM 0 HE2 MET A 344 0.284 13.284 -1.316 1.00 0.00 H new ATOM 0 HE3 MET A 344 1.916 13.672 -0.719 1.00 0.00 H new ATOM 484 N LEU A 345 -1.877 13.911 3.578 1.00 0.00 N ATOM 485 CA LEU A 345 -3.063 13.921 4.426 1.00 0.00 C ATOM 486 C LEU A 345 -4.223 14.631 3.742 1.00 0.00 C ATOM 487 O LEU A 345 -5.387 14.373 4.045 1.00 0.00 O ATOM 488 CB LEU A 345 -2.747 14.586 5.772 1.00 0.00 C ATOM 489 CG LEU A 345 -1.737 13.836 6.649 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.461 14.628 7.921 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.278 12.454 6.981 1.00 0.00 C ATOM 0 H LEU A 345 -1.137 14.544 3.882 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.361 12.888 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.365 15.589 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.676 14.699 6.331 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.798 13.723 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.743 14.088 8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -1.053 15.605 7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -2.390 14.759 8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.559 11.922 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -3.221 12.552 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.442 11.896 6.059 1.00 0.00 H new ATOM 503 N LYS A 346 -3.898 15.529 2.817 1.00 0.00 N ATOM 504 CA LYS A 346 -4.906 16.163 1.977 1.00 0.00 C ATOM 505 C LYS A 346 -5.498 15.170 0.984 1.00 0.00 C ATOM 506 O LYS A 346 -6.684 15.234 0.661 1.00 0.00 O ATOM 507 CB LYS A 346 -4.309 17.357 1.232 1.00 0.00 C ATOM 508 CG LYS A 346 -4.042 18.574 2.107 1.00 0.00 C ATOM 509 CD LYS A 346 -3.435 19.714 1.301 1.00 0.00 C ATOM 510 CE LYS A 346 -3.116 20.910 2.186 1.00 0.00 C ATOM 511 NZ LYS A 346 -2.494 22.022 1.415 1.00 0.00 N1+ ATOM 0 H LYS A 346 -2.943 15.834 2.631 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.707 16.516 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.374 17.048 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -4.987 17.644 0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.973 18.906 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -3.367 18.300 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -2.525 19.370 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.128 20.015 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.031 21.265 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -2.442 20.601 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -2.292 22.817 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -1.608 21.692 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.147 22.335 0.669 1.00 0.00 H new ATOM 525 N ARG A 347 -4.667 14.252 0.504 1.00 0.00 N ATOM 526 CA ARG A 347 -5.135 13.156 -0.334 1.00 0.00 C ATOM 527 C ARG A 347 -5.852 12.097 0.493 1.00 0.00 C ATOM 528 O ARG A 347 -6.783 11.448 0.017 1.00 0.00 O ATOM 529 CB ARG A 347 -4.015 12.549 -1.165 1.00 0.00 C ATOM 530 CG ARG A 347 -3.488 13.440 -2.279 1.00 0.00 C ATOM 531 CD ARG A 347 -2.387 12.841 -3.075 1.00 0.00 C ATOM 532 NE ARG A 347 -1.913 13.673 -4.170 1.00 0.00 N ATOM 533 CZ ARG A 347 -0.870 13.368 -4.965 1.00 0.00 C ATOM 534 NH1 ARG A 347 -0.165 12.275 -4.770 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -0.556 14.210 -5.934 1.00 0.00 N ATOM 0 H ARG A 347 -3.663 14.246 0.682 1.00 0.00 H new ATOM 0 HA ARG A 347 -5.855 13.576 -1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.188 12.294 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.372 11.617 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -4.311 13.688 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -3.138 14.376 -1.844 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -1.550 12.626 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -2.726 11.887 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 347 -2.405 14.549 -4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -0.405 11.643 -4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 347 0.622 12.060 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -1.099 15.064 -6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 347 0.229 14.006 -6.552 1.00 0.00 H new ATOM 549 N LEU A 348 -5.414 11.928 1.737 1.00 0.00 N ATOM 550 CA LEU A 348 -6.069 11.012 2.662 1.00 0.00 C ATOM 551 C LEU A 348 -7.539 11.369 2.841 1.00 0.00 C ATOM 552 O LEU A 348 -8.421 10.535 2.632 1.00 0.00 O ATOM 553 CB LEU A 348 -5.349 11.020 4.016 1.00 0.00 C ATOM 554 CG LEU A 348 -5.605 9.793 4.899 1.00 0.00 C ATOM 555 CD1 LEU A 348 -4.714 9.844 6.134 1.00 0.00 C ATOM 556 CD2 LEU A 348 -7.073 9.748 5.295 1.00 0.00 C ATOM 0 H LEU A 348 -4.607 12.415 2.127 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.016 10.009 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -4.277 11.103 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -5.651 11.912 4.565 1.00 0.00 H new ATOM 0 HG LEU A 348 -5.365 8.888 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -4.903 8.969 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -3.668 9.853 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -4.933 10.747 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -7.254 8.875 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -7.329 10.652 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -7.690 9.684 4.399 1.00 0.00 H new ATOM 568 N LYS A 349 -7.798 12.613 3.231 1.00 0.00 N ATOM 569 CA LYS A 349 -9.162 13.076 3.460 1.00 0.00 C ATOM 570 C LYS A 349 -9.817 13.521 2.160 1.00 0.00 C ATOM 571 O LYS A 349 -10.274 12.705 1.407 1.00 0.00 O ATOM 572 CB LYS A 349 -9.175 14.221 4.474 1.00 0.00 C ATOM 573 CG LYS A 349 -10.565 14.729 4.831 1.00 0.00 C ATOM 574 CD LYS A 349 -10.501 15.822 5.888 1.00 0.00 C ATOM 575 CE LYS A 349 -11.889 16.336 6.239 1.00 0.00 C ATOM 576 NZ LYS A 349 -11.843 17.390 7.288 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.080 13.319 3.395 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.735 12.241 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -8.678 13.889 5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -8.590 15.050 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -11.054 15.114 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -11.174 13.902 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -10.017 15.435 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -9.887 16.646 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -12.365 16.736 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -12.506 15.507 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -12.809 17.713 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -11.412 17.002 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -11.276 18.193 6.949 1.00 0.00 H new