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= -0.03 X(o=-0.03,f=-0.28) USER MOD Single : A 327 SER OG : rot 77:sc= 0.772 USER MOD Single : A 329 TYR OH : rot 180:sc= 0 USER MOD Single : A 335 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.16) USER MOD Single : A 336 HIS : no HE2:sc= 0.973 K(o=0.97,f=-2.9!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl 160:sc= -0.428 (180deg=-0.575) 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 1.227 6.722 0.015 1.00 0.00 N ATOM 29 CA VAL A 317 1.167 6.251 1.394 1.00 0.00 C ATOM 30 C VAL A 317 -0.112 6.716 2.080 1.00 0.00 C ATOM 31 O VAL A 317 -0.498 6.182 3.120 1.00 0.00 O ATOM 32 CB VAL A 317 2.381 6.735 2.209 1.00 0.00 C ATOM 33 CG1 VAL A 317 3.676 6.256 1.571 1.00 0.00 C ATOM 34 CG2 VAL A 317 2.374 8.252 2.325 1.00 0.00 C ATOM 0 HA VAL A 317 1.178 5.162 1.355 1.00 0.00 H new ATOM 0 HB VAL A 317 2.314 6.312 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 317 4.523 6.607 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 317 3.684 5.167 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 317 3.750 6.651 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 317 3.239 8.577 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 317 2.418 8.693 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 317 1.461 8.574 2.825 1.00 0.00 H new ATOM 44 N TRP A 318 -0.765 7.712 1.490 1.00 0.00 N ATOM 45 CA TRP A 318 -2.021 8.224 2.024 1.00 0.00 C ATOM 46 C TRP A 318 -3.047 7.110 2.184 1.00 0.00 C ATOM 47 O TRP A 318 -3.928 7.183 3.040 1.00 0.00 O ATOM 48 CB TRP A 318 -2.577 9.323 1.115 1.00 0.00 C ATOM 49 CG TRP A 318 -2.925 8.841 -0.262 1.00 0.00 C ATOM 50 CD1 TRP A 318 -2.096 8.792 -1.342 1.00 0.00 C ATOM 51 CD2 TRP A 318 -4.193 8.340 -0.703 1.00 0.00 C ATOM 52 NE1 TRP A 318 -2.768 8.294 -2.430 1.00 0.00 N ATOM 53 CE2 TRP A 318 -4.058 8.007 -2.062 1.00 0.00 C ATOM 54 CE3 TRP A 318 -5.430 8.141 -0.078 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -5.105 7.489 -2.808 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -6.480 7.620 -0.825 1.00 0.00 C ATOM 57 CH2 TRP A 318 -6.322 7.304 -2.152 1.00 0.00 C ATOM 0 H TRP A 318 -0.445 8.180 0.642 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.819 8.644 3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.467 9.750 1.577 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.842 10.124 1.036 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -1.061 9.100 -1.342 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -2.373 8.159 -3.361 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.566 8.388 0.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -4.984 7.239 -3.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -7.438 7.461 -0.353 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -7.161 6.902 -2.701 1.00 0.00 H new ATOM 68 N GLU A 319 -2.927 6.079 1.355 1.00 0.00 N ATOM 69 CA GLU A 319 -3.769 4.895 1.478 1.00 0.00 C ATOM 70 C GLU A 319 -3.496 4.157 2.782 1.00 0.00 C ATOM 71 O GLU A 319 -4.410 3.615 3.403 1.00 0.00 O ATOM 72 CB GLU A 319 -3.552 3.957 0.288 1.00 0.00 C ATOM 73 CG GLU A 319 -4.084 4.487 -1.035 1.00 0.00 C ATOM 74 CD GLU A 319 -3.752 3.558 -2.170 1.00 0.00 C ATOM 75 OE1 GLU A 319 -3.071 2.588 -1.937 1.00 0.00 O ATOM 76 OE2 GLU A 319 -4.270 3.754 -3.243 1.00 0.00 O1- ATOM 0 H GLU A 319 -2.254 6.039 0.590 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.808 5.225 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.485 3.762 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -4.031 3.002 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -5.165 4.613 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -3.659 5.471 -1.232 1.00 0.00 H new ATOM 83 N ILE A 320 -2.232 4.142 3.194 1.00 0.00 N ATOM 84 CA ILE A 320 -1.850 3.550 4.471 1.00 0.00 C ATOM 85 C ILE A 320 -2.208 4.467 5.632 1.00 0.00 C ATOM 86 O ILE A 320 -2.679 4.012 6.674 1.00 0.00 O ATOM 87 CB ILE A 320 -0.343 3.239 4.520 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.016 2.171 3.483 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.062 2.789 5.915 1.00 0.00 C ATOM 90 CD1 ILE A 320 1.503 2.008 3.263 1.00 0.00 C ATOM 0 H ILE A 320 -1.455 4.533 2.662 1.00 0.00 H new ATOM 0 HA ILE A 320 -2.407 2.618 4.565 1.00 0.00 H new ATOM 0 HB ILE A 320 0.207 4.149 4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 320 -0.402 1.215 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 320 -0.456 2.426 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.130 2.573 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 320 -0.160 3.580 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 320 -0.494 1.891 6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 320 1.678 1.234 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 320 1.925 2.951 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 320 1.980 1.721 4.200 1.00 0.00 H new ATOM 102 N LEU A 321 -1.981 5.764 5.448 1.00 0.00 N ATOM 103 CA LEU A 321 -2.159 6.733 6.522 1.00 0.00 C ATOM 104 C LEU A 321 -3.599 6.746 7.020 1.00 0.00 C ATOM 105 O LEU A 321 -3.854 6.940 8.208 1.00 0.00 O ATOM 106 CB LEU A 321 -1.745 8.132 6.047 1.00 0.00 C ATOM 107 CG LEU A 321 -0.265 8.284 5.676 1.00 0.00 C ATOM 108 CD1 LEU A 321 -0.011 9.672 5.100 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.594 8.047 6.909 1.00 0.00 C ATOM 0 H LEU A 321 -1.673 6.168 4.563 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.520 6.438 7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -2.350 8.397 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -1.982 8.850 6.832 1.00 0.00 H new ATOM 0 HG LEU A 321 -0.002 7.547 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.043 9.771 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 321 -0.620 9.812 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 321 -0.274 10.427 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 321 1.646 8.155 6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.336 8.775 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 321 0.416 7.041 7.288 1.00 0.00 H new ATOM 121 N ARG A 322 -4.538 6.540 6.102 1.00 0.00 N ATOM 122 CA ARG A 322 -5.955 6.531 6.445 1.00 0.00 C ATOM 123 C ARG A 322 -6.253 5.505 7.531 1.00 0.00 C ATOM 124 O ARG A 322 -7.067 5.748 8.423 1.00 0.00 O ATOM 125 CB ARG A 322 -6.839 6.323 5.226 1.00 0.00 C ATOM 126 CG ARG A 322 -8.331 6.464 5.485 1.00 0.00 C ATOM 127 CD ARG A 322 -9.175 6.388 4.266 1.00 0.00 C ATOM 128 NE ARG A 322 -9.061 7.536 3.381 1.00 0.00 N ATOM 129 CZ ARG A 322 -9.336 7.516 2.061 1.00 0.00 C ATOM 130 NH1 ARG A 322 -9.705 6.405 1.463 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -9.202 8.640 1.378 1.00 0.00 N ATOM 0 H ARG A 322 -4.343 6.377 5.114 1.00 0.00 H new ATOM 0 HA ARG A 322 -6.194 7.517 6.843 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.549 7.040 4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -6.648 5.329 4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -8.643 5.682 6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -8.513 7.418 5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.908 5.489 3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -10.217 6.279 4.567 1.00 0.00 H new ATOM 0 HE ARG A 322 -8.751 8.419 3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -9.787 5.541 1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -9.909 6.407 0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -8.898 9.491 1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -9.403 8.656 0.378 1.00 0.00 H new ATOM 145 N GLN A 323 -5.590 4.356 7.451 1.00 0.00 N ATOM 146 CA GLN A 323 -5.830 3.265 8.387 1.00 0.00 C ATOM 147 C GLN A 323 -4.702 3.154 9.405 1.00 0.00 C ATOM 148 O GLN A 323 -4.528 2.116 10.042 1.00 0.00 O ATOM 149 CB GLN A 323 -5.981 1.939 7.638 1.00 0.00 C ATOM 150 CG GLN A 323 -7.092 1.933 6.602 1.00 0.00 C ATOM 151 CD GLN A 323 -8.466 2.080 7.227 1.00 0.00 C ATOM 152 OE1 GLN A 323 -8.772 1.453 8.245 1.00 0.00 O ATOM 153 NE2 GLN A 323 -9.307 2.908 6.617 1.00 0.00 N ATOM 0 H GLN A 323 -4.881 4.157 6.746 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.756 3.484 8.919 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -5.038 1.704 7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -6.169 1.145 8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -6.929 2.745 5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -7.051 1.003 6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -9.013 3.407 5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -10.247 3.045 6.988 1.00 0.00 H new ATOM 162 N ALA A 324 -3.938 4.231 9.554 1.00 0.00 N ATOM 163 CA ALA A 324 -2.795 4.241 10.460 1.00 0.00 C ATOM 164 C ALA A 324 -2.989 5.253 11.581 1.00 0.00 C ATOM 165 O ALA A 324 -3.643 6.280 11.397 1.00 0.00 O ATOM 166 CB ALA A 324 -1.514 4.533 9.693 1.00 0.00 C ATOM 0 H ALA A 324 -4.090 5.109 9.058 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.715 3.253 10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.670 4.537 10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -1.360 3.764 8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -1.593 5.507 9.210 1.00 0.00 H new ATOM 172 N PRO A 325 -2.417 4.958 12.743 1.00 0.00 N ATOM 173 CA PRO A 325 -2.439 5.888 13.866 1.00 0.00 C ATOM 174 C PRO A 325 -1.763 7.204 13.505 1.00 0.00 C ATOM 175 O PRO A 325 -0.806 7.229 12.730 1.00 0.00 O ATOM 176 CB PRO A 325 -1.699 5.146 14.982 1.00 0.00 C ATOM 177 CG PRO A 325 -1.770 3.710 14.584 1.00 0.00 C ATOM 178 CD PRO A 325 -1.700 3.709 13.081 1.00 0.00 C ATOM 0 HA PRO A 325 -3.450 6.165 14.164 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -0.666 5.484 15.067 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -2.170 5.314 15.951 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -0.947 3.141 15.016 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -2.694 3.250 14.935 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.672 3.718 12.720 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -2.182 2.832 12.650 1.00 0.00 H new ATOM 186 N PRO A 326 -2.262 8.296 14.071 1.00 0.00 N ATOM 187 CA PRO A 326 -1.698 9.617 13.821 1.00 0.00 C ATOM 188 C PRO A 326 -0.207 9.646 14.132 1.00 0.00 C ATOM 189 O PRO A 326 0.559 10.356 13.480 1.00 0.00 O ATOM 190 CB PRO A 326 -2.496 10.546 14.740 1.00 0.00 C ATOM 191 CG PRO A 326 -3.801 9.851 14.929 1.00 0.00 C ATOM 192 CD PRO A 326 -3.470 8.383 14.959 1.00 0.00 C ATOM 0 HA PRO A 326 -1.774 9.917 12.776 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -1.986 10.698 15.691 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -2.631 11.530 14.290 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -4.283 10.164 15.855 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.491 10.082 14.117 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.254 8.038 15.970 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.293 7.775 14.583 1.00 0.00 H new ATOM 200 N SER A 327 0.199 8.870 15.130 1.00 0.00 N ATOM 201 CA SER A 327 1.578 8.890 15.604 1.00 0.00 C ATOM 202 C SER A 327 2.518 8.249 14.590 1.00 0.00 C ATOM 203 O SER A 327 3.735 8.428 14.657 1.00 0.00 O ATOM 204 CB SER A 327 1.681 8.181 16.941 1.00 0.00 C ATOM 205 OG SER A 327 1.406 6.812 16.833 1.00 0.00 O ATOM 0 H SER A 327 -0.408 8.218 15.627 1.00 0.00 H new ATOM 0 HA SER A 327 1.879 9.930 15.730 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.683 8.318 17.348 1.00 0.00 H new ATOM 0 HB3 SER A 327 0.986 8.636 17.647 1.00 0.00 H new ATOM 0 HG SER A 327 2.179 6.353 16.442 1.00 0.00 H new ATOM 211 N GLU A 328 1.947 7.503 13.650 1.00 0.00 N ATOM 212 CA GLU A 328 2.738 6.732 12.699 1.00 0.00 C ATOM 213 C GLU A 328 2.841 7.451 11.360 1.00 0.00 C ATOM 214 O GLU A 328 3.504 6.974 10.438 1.00 0.00 O ATOM 215 CB GLU A 328 2.134 5.339 12.504 1.00 0.00 C ATOM 216 CG GLU A 328 1.981 4.536 13.787 1.00 0.00 C ATOM 217 CD GLU A 328 3.264 4.504 14.569 1.00 0.00 C ATOM 218 OE1 GLU A 328 4.266 4.119 14.014 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.270 4.970 15.684 1.00 0.00 O1- ATOM 0 H GLU A 328 0.938 7.416 13.527 1.00 0.00 H new ATOM 0 HA GLU A 328 3.743 6.627 13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.155 5.443 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 328 2.761 4.778 11.811 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.191 4.971 14.399 1.00 0.00 H new ATOM 0 HG3 GLU A 328 1.674 3.518 13.547 1.00 0.00 H new ATOM 226 N TYR A 329 2.180 8.599 11.257 1.00 0.00 N ATOM 227 CA TYR A 329 2.135 9.348 10.007 1.00 0.00 C ATOM 228 C TYR A 329 3.532 9.750 9.554 1.00 0.00 C ATOM 229 O TYR A 329 3.878 9.614 8.381 1.00 0.00 O ATOM 230 CB TYR A 329 1.254 10.591 10.160 1.00 0.00 C ATOM 231 CG TYR A 329 -0.227 10.289 10.222 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.697 8.993 10.068 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.150 11.301 10.437 1.00 0.00 C ATOM 234 CE1 TYR A 329 -2.049 8.712 10.124 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.504 11.032 10.496 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.949 9.736 10.338 1.00 0.00 C ATOM 237 OH TYR A 329 -4.297 9.461 10.396 1.00 0.00 O ATOM 0 H TYR A 329 1.667 9.031 12.026 1.00 0.00 H new ATOM 0 HA TYR A 329 1.704 8.699 9.245 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.545 11.121 11.067 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.443 11.263 9.323 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.006 8.190 9.901 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -0.805 12.317 10.560 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -2.399 7.698 10.001 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.210 11.832 10.665 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.794 10.291 10.554 1.00 0.00 H new ATOM 247 N GLU A 330 4.332 10.246 10.492 1.00 0.00 N ATOM 248 CA GLU A 330 5.678 10.711 10.183 1.00 0.00 C ATOM 249 C GLU A 330 6.609 9.544 9.877 1.00 0.00 C ATOM 250 O GLU A 330 7.477 9.639 9.010 1.00 0.00 O ATOM 251 CB GLU A 330 6.239 11.539 11.341 1.00 0.00 C ATOM 252 CG GLU A 330 5.559 12.887 11.536 1.00 0.00 C ATOM 253 CD GLU A 330 6.091 13.596 12.751 1.00 0.00 C ATOM 254 OE1 GLU A 330 6.905 13.028 13.439 1.00 0.00 O ATOM 255 OE2 GLU A 330 5.770 14.747 12.930 1.00 0.00 O1- ATOM 0 H GLU A 330 4.070 10.336 11.474 1.00 0.00 H new ATOM 0 HA GLU A 330 5.616 11.340 9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 330 6.147 10.963 12.262 1.00 0.00 H new ATOM 0 HB3 GLU A 330 7.303 11.703 11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 330 5.715 13.507 10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 330 4.483 12.743 11.638 1.00 0.00 H new ATOM 262 N ARG A 331 6.420 8.440 10.594 1.00 0.00 N ATOM 263 CA ARG A 331 7.270 7.267 10.432 1.00 0.00 C ATOM 264 C ARG A 331 6.976 6.551 9.119 1.00 0.00 C ATOM 265 O ARG A 331 7.883 6.038 8.464 1.00 0.00 O ATOM 266 CB ARG A 331 7.170 6.319 11.617 1.00 0.00 C ATOM 267 CG ARG A 331 7.827 6.820 12.894 1.00 0.00 C ATOM 268 CD ARG A 331 7.695 5.900 14.052 1.00 0.00 C ATOM 269 NE ARG A 331 8.384 6.341 15.254 1.00 0.00 N ATOM 270 CZ ARG A 331 8.363 5.688 16.432 1.00 0.00 C ATOM 271 NH1 ARG A 331 7.661 4.586 16.583 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 9.049 6.197 17.440 1.00 0.00 N ATOM 0 H ARG A 331 5.685 8.334 11.293 1.00 0.00 H new ATOM 0 HA ARG A 331 8.301 7.620 10.397 1.00 0.00 H new ATOM 0 HB2 ARG A 331 6.117 6.124 11.820 1.00 0.00 H new ATOM 0 HB3 ARG A 331 7.624 5.367 11.342 1.00 0.00 H new ATOM 0 HG2 ARG A 331 8.886 6.992 12.700 1.00 0.00 H new ATOM 0 HG3 ARG A 331 7.391 7.783 13.159 1.00 0.00 H new ATOM 0 HD2 ARG A 331 6.637 5.774 14.281 1.00 0.00 H new ATOM 0 HD3 ARG A 331 8.079 4.920 13.767 1.00 0.00 H new ATOM 0 HE ARG A 331 8.921 7.206 15.202 1.00 0.00 H new ATOM 0 HH11 ARG A 331 7.122 4.214 15.801 1.00 0.00 H new ATOM 0 HH12 ARG A 331 7.656 4.104 17.482 1.00 0.00 H new ATOM 0 HH21 ARG A 331 9.575 7.062 17.314 1.00 0.00 H new ATOM 0 HH22 ARG A 331 9.052 5.725 18.344 1.00 0.00 H new ATOM 286 N ILE A 332 5.703 6.521 8.740 1.00 0.00 N ATOM 287 CA ILE A 332 5.295 5.922 7.474 1.00 0.00 C ATOM 288 C ILE A 332 5.838 6.712 6.291 1.00 0.00 C ATOM 289 O ILE A 332 6.433 6.145 5.374 1.00 0.00 O ATOM 290 CB ILE A 332 3.762 5.833 7.360 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.211 4.807 8.353 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.354 5.476 5.939 1.00 0.00 C ATOM 293 CD1 ILE A 332 1.714 4.887 8.547 1.00 0.00 C ATOM 0 H ILE A 332 4.935 6.905 9.291 1.00 0.00 H new ATOM 0 HA ILE A 332 5.710 4.914 7.454 1.00 0.00 H new ATOM 0 HB ILE A 332 3.339 6.808 7.603 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.470 3.806 8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 332 3.701 4.949 9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.267 5.417 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.716 6.242 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 332 3.786 4.513 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 332 1.399 4.129 9.264 1.00 0.00 H new ATOM 0 HD12 ILE A 332 1.448 5.875 8.923 1.00 0.00 H new ATOM 0 HD13 ILE A 332 1.214 4.715 7.594 1.00 0.00 H new ATOM 305 N ALA A 333 5.631 8.024 6.315 1.00 0.00 N ATOM 306 CA ALA A 333 6.164 8.905 5.284 1.00 0.00 C ATOM 307 C ALA A 333 7.676 8.760 5.166 1.00 0.00 C ATOM 308 O ALA A 333 8.210 8.594 4.068 1.00 0.00 O ATOM 309 CB ALA A 333 5.788 10.350 5.573 1.00 0.00 C ATOM 0 H ALA A 333 5.096 8.502 7.040 1.00 0.00 H new ATOM 0 HA ALA A 333 5.723 8.614 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 333 6.194 10.995 4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.702 10.446 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 333 6.198 10.646 6.539 1.00 0.00 H new ATOM 315 N PHE A 334 8.362 8.826 6.302 1.00 0.00 N ATOM 316 CA PHE A 334 9.812 8.670 6.331 1.00 0.00 C ATOM 317 C PHE A 334 10.239 7.362 5.677 1.00 0.00 C ATOM 318 O PHE A 334 11.173 7.333 4.876 1.00 0.00 O ATOM 319 CB PHE A 334 10.327 8.731 7.770 1.00 0.00 C ATOM 320 CG PHE A 334 11.810 8.531 7.893 1.00 0.00 C ATOM 321 CD1 PHE A 334 12.688 9.575 7.640 1.00 0.00 C ATOM 322 CD2 PHE A 334 12.331 7.299 8.259 1.00 0.00 C ATOM 323 CE1 PHE A 334 14.054 9.392 7.752 1.00 0.00 C ATOM 324 CE2 PHE A 334 13.695 7.114 8.373 1.00 0.00 C ATOM 325 CZ PHE A 334 14.558 8.163 8.118 1.00 0.00 C ATOM 0 H PHE A 334 7.937 8.987 7.215 1.00 0.00 H new ATOM 0 HA PHE A 334 10.248 9.492 5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 334 10.064 9.698 8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 334 9.817 7.970 8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 334 12.300 10.541 7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 334 11.662 6.474 8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 334 14.726 10.213 7.552 1.00 0.00 H new ATOM 0 HE2 PHE A 334 14.087 6.150 8.661 1.00 0.00 H new ATOM 0 HZ PHE A 334 15.625 8.020 8.205 1.00 0.00 H new ATOM 335 N GLN A 335 9.549 6.280 6.024 1.00 0.00 N ATOM 336 CA GLN A 335 9.918 4.952 5.550 1.00 0.00 C ATOM 337 C GLN A 335 9.856 4.873 4.029 1.00 0.00 C ATOM 338 O GLN A 335 10.661 4.188 3.400 1.00 0.00 O ATOM 339 CB GLN A 335 8.997 3.891 6.159 1.00 0.00 C ATOM 340 CG GLN A 335 9.372 2.463 5.801 1.00 0.00 C ATOM 341 CD GLN A 335 10.741 2.073 6.327 1.00 0.00 C ATOM 342 OE1 GLN A 335 11.072 2.334 7.487 1.00 0.00 O ATOM 343 NE2 GLN A 335 11.546 1.451 5.475 1.00 0.00 N ATOM 0 H GLN A 335 8.731 6.298 6.632 1.00 0.00 H new ATOM 0 HA GLN A 335 10.944 4.761 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 335 9.007 3.997 7.244 1.00 0.00 H new ATOM 0 HB3 GLN A 335 7.975 4.080 5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 335 8.623 1.782 6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 335 9.356 2.347 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 335 11.230 1.256 4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 335 12.481 1.168 5.770 1.00 0.00 H new ATOM 352 N HIS A 336 8.895 5.580 3.444 1.00 0.00 N ATOM 353 CA HIS A 336 8.631 5.477 2.014 1.00 0.00 C ATOM 354 C HIS A 336 9.257 6.637 1.252 1.00 0.00 C ATOM 355 O HIS A 336 9.076 6.768 0.041 1.00 0.00 O ATOM 356 CB HIS A 336 7.124 5.426 1.745 1.00 0.00 C ATOM 357 CG HIS A 336 6.467 4.171 2.229 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.958 4.041 3.504 1.00 0.00 N ATOM 359 CD2 HIS A 336 6.239 2.988 1.611 1.00 0.00 C ATOM 360 CE1 HIS A 336 5.442 2.833 3.649 1.00 0.00 C ATOM 361 NE2 HIS A 336 5.601 2.175 2.515 1.00 0.00 N ATOM 0 H HIS A 336 8.286 6.231 3.939 1.00 0.00 H new ATOM 0 HA HIS A 336 9.085 4.551 1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.649 6.282 2.225 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.952 5.525 0.673 1.00 0.00 H new ATOM 0 HD1 HIS A 336 5.977 4.764 4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 336 6.508 2.732 0.597 1.00 0.00 H new ATOM 0 HE1 HIS A 336 4.971 2.450 4.542 1.00 0.00 H new ATOM 368 N GLY A 337 9.993 7.480 1.968 1.00 0.00 N ATOM 369 CA GLY A 337 10.721 8.580 1.347 1.00 0.00 C ATOM 370 C GLY A 337 9.777 9.704 0.939 1.00 0.00 C ATOM 371 O GLY A 337 10.074 10.477 0.028 1.00 0.00 O ATOM 0 H GLY A 337 10.101 7.422 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.468 8.963 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 337 11.257 8.216 0.471 1.00 0.00 H new ATOM 375 N VAL A 338 8.638 9.788 1.617 1.00 0.00 N ATOM 376 CA VAL A 338 7.654 10.827 1.336 1.00 0.00 C ATOM 377 C VAL A 338 7.930 12.082 2.153 1.00 0.00 C ATOM 378 O VAL A 338 7.968 12.040 3.382 1.00 0.00 O ATOM 379 CB VAL A 338 6.220 10.341 1.627 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.220 11.462 1.388 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.882 9.134 0.766 1.00 0.00 C ATOM 0 H VAL A 338 8.373 9.148 2.366 1.00 0.00 H new ATOM 0 HA VAL A 338 7.740 11.062 0.275 1.00 0.00 H new ATOM 0 HB VAL A 338 6.162 10.044 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.213 11.102 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.450 12.301 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.280 11.788 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.866 8.804 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 338 5.957 9.406 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.580 8.326 0.982 1.00 0.00 H new ATOM 391 N THR A 339 8.121 13.201 1.461 1.00 0.00 N ATOM 392 CA THR A 339 8.431 14.465 2.119 1.00 0.00 C ATOM 393 C THR A 339 7.181 15.318 2.291 1.00 0.00 C ATOM 394 O THR A 339 7.122 16.182 3.166 1.00 0.00 O ATOM 395 CB THR A 339 9.484 15.267 1.334 1.00 0.00 C ATOM 396 OG1 THR A 339 8.976 15.579 0.030 1.00 0.00 O ATOM 397 CG2 THR A 339 10.771 14.468 1.195 1.00 0.00 C ATOM 0 H THR A 339 8.066 13.258 0.444 1.00 0.00 H new ATOM 0 HA THR A 339 8.835 14.217 3.101 1.00 0.00 H new ATOM 0 HB THR A 339 9.698 16.187 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 339 9.647 16.091 -0.468 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.503 15.052 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 339 11.167 14.240 2.185 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.567 13.539 0.663 1.00 0.00 H new ATOM 405 N ASP A 340 6.181 15.070 1.451 1.00 0.00 N ATOM 406 CA ASP A 340 4.923 15.802 1.520 1.00 0.00 C ATOM 407 C ASP A 340 3.870 15.013 2.288 1.00 0.00 C ATOM 408 O ASP A 340 2.917 14.498 1.704 1.00 0.00 O ATOM 409 CB ASP A 340 4.413 16.128 0.114 1.00 0.00 C ATOM 410 CG ASP A 340 3.231 17.089 0.081 1.00 0.00 C ATOM 411 OD1 ASP A 340 2.836 17.550 1.125 1.00 0.00 O ATOM 412 OD2 ASP A 340 2.837 17.475 -0.994 1.00 0.00 O1- ATOM 0 H ASP A 340 6.219 14.366 0.714 1.00 0.00 H new ATOM 0 HA ASP A 340 5.109 16.734 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.231 16.557 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.125 15.200 -0.379 1.00 0.00 H new ATOM 417 N LEU A 341 4.046 14.924 3.603 1.00 0.00 N ATOM 418 CA LEU A 341 3.092 14.229 4.459 1.00 0.00 C ATOM 419 C LEU A 341 1.739 14.927 4.454 1.00 0.00 C ATOM 420 O LEU A 341 0.694 14.277 4.413 1.00 0.00 O ATOM 421 CB LEU A 341 3.638 14.131 5.889 1.00 0.00 C ATOM 422 CG LEU A 341 2.673 13.521 6.914 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.281 12.113 6.489 1.00 0.00 C ATOM 424 CD2 LEU A 341 3.332 13.507 8.286 1.00 0.00 C ATOM 0 H LEU A 341 4.842 15.325 4.099 1.00 0.00 H new ATOM 0 HA LEU A 341 2.952 13.223 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.551 13.535 5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.916 15.130 6.225 1.00 0.00 H new ATOM 0 HG LEU A 341 1.767 14.125 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.596 11.689 7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.792 12.150 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 341 3.174 11.491 6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.647 13.074 9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 341 4.243 12.911 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 341 3.579 14.527 8.582 1.00 0.00 H new ATOM 436 N ARG A 342 1.763 16.256 4.497 1.00 0.00 N ATOM 437 CA ARG A 342 0.537 17.044 4.535 1.00 0.00 C ATOM 438 C ARG A 342 -0.294 16.829 3.277 1.00 0.00 C ATOM 439 O ARG A 342 -1.522 16.752 3.338 1.00 0.00 O ATOM 440 CB ARG A 342 0.811 18.521 4.777 1.00 0.00 C ATOM 441 CG ARG A 342 1.246 18.866 6.193 1.00 0.00 C ATOM 442 CD ARG A 342 1.520 20.309 6.414 1.00 0.00 C ATOM 443 NE ARG A 342 1.893 20.650 7.777 1.00 0.00 N ATOM 444 CZ ARG A 342 2.205 21.892 8.197 1.00 0.00 C ATOM 445 NH1 ARG A 342 2.228 22.905 7.360 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 2.512 22.061 9.472 1.00 0.00 N ATOM 0 H ARG A 342 2.620 16.810 4.506 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.046 16.690 5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.585 18.851 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.090 19.087 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 342 0.469 18.545 6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 342 2.144 18.297 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 342 2.320 20.621 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 342 0.633 20.880 6.140 1.00 0.00 H new ATOM 0 HE ARG A 342 1.921 19.896 8.464 1.00 0.00 H new ATOM 0 HH11 ARG A 342 2.007 22.758 6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 342 2.466 23.838 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 342 2.508 21.263 10.108 1.00 0.00 H new ATOM 0 HH22 ARG A 342 2.753 22.989 9.820 1.00 0.00 H new ATOM 460 N GLY A 343 0.380 16.735 2.137 1.00 0.00 N ATOM 461 CA GLY A 343 -0.287 16.452 0.872 1.00 0.00 C ATOM 462 C GLY A 343 -0.921 15.067 0.882 1.00 0.00 C ATOM 463 O GLY A 343 -1.994 14.860 0.315 1.00 0.00 O ATOM 0 H GLY A 343 1.391 16.851 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -1.053 17.204 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.432 16.520 0.055 1.00 0.00 H new ATOM 467 N MET A 344 -0.252 14.121 1.532 1.00 0.00 N ATOM 468 CA MET A 344 -0.785 12.771 1.682 1.00 0.00 C ATOM 469 C MET A 344 -1.965 12.750 2.645 1.00 0.00 C ATOM 470 O MET A 344 -2.884 11.944 2.497 1.00 0.00 O ATOM 471 CB MET A 344 0.310 11.823 2.166 1.00 0.00 C ATOM 472 CG MET A 344 1.421 11.575 1.156 1.00 0.00 C ATOM 473 SD MET A 344 0.825 10.793 -0.357 1.00 0.00 S ATOM 474 CE MET A 344 0.664 12.216 -1.432 1.00 0.00 C ATOM 0 H MET A 344 0.661 14.264 1.964 1.00 0.00 H new ATOM 0 HA MET A 344 -1.139 12.436 0.707 1.00 0.00 H new ATOM 0 HB2 MET A 344 0.749 12.230 3.077 1.00 0.00 H new ATOM 0 HB3 MET A 344 -0.144 10.868 2.430 1.00 0.00 H new ATOM 0 HG2 MET A 344 1.898 12.523 0.907 1.00 0.00 H new ATOM 0 HG3 MET A 344 2.185 10.944 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 344 0.655 11.888 -2.471 1.00 0.00 H new ATOM 0 HE2 MET A 344 -0.266 12.738 -1.208 1.00 0.00 H new ATOM 0 HE3 MET A 344 1.506 12.890 -1.272 1.00 0.00 H new ATOM 484 N LEU A 345 -1.934 13.639 3.631 1.00 0.00 N ATOM 485 CA LEU A 345 -3.018 13.748 4.599 1.00 0.00 C ATOM 486 C LEU A 345 -4.224 14.458 3.996 1.00 0.00 C ATOM 487 O LEU A 345 -5.357 14.261 4.438 1.00 0.00 O ATOM 488 CB LEU A 345 -2.537 14.486 5.855 1.00 0.00 C ATOM 489 CG LEU A 345 -1.478 13.746 6.681 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.023 14.614 7.846 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.053 12.429 7.182 1.00 0.00 C ATOM 0 H LEU A 345 -1.168 14.296 3.781 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.325 12.740 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.132 15.453 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.398 14.685 6.493 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.611 13.535 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.271 14.079 8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.595 15.541 7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -1.877 14.844 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.300 11.903 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -2.926 12.626 7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.346 11.813 6.332 1.00 0.00 H new ATOM 503 N LYS A 346 -3.974 15.285 2.987 1.00 0.00 N ATOM 504 CA LYS A 346 -5.048 15.882 2.201 1.00 0.00 C ATOM 505 C LYS A 346 -5.739 14.838 1.332 1.00 0.00 C ATOM 506 O LYS A 346 -6.949 14.904 1.111 1.00 0.00 O ATOM 507 CB LYS A 346 -4.507 17.017 1.331 1.00 0.00 C ATOM 508 CG LYS A 346 -4.146 18.281 2.099 1.00 0.00 C ATOM 509 CD LYS A 346 -3.621 19.364 1.168 1.00 0.00 C ATOM 510 CE LYS A 346 -3.202 20.605 1.942 1.00 0.00 C ATOM 511 NZ LYS A 346 -2.661 21.663 1.046 1.00 0.00 N1+ ATOM 0 H LYS A 346 -3.036 15.558 2.694 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.784 16.289 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.622 16.663 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.252 17.266 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.024 18.649 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -3.392 18.049 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -2.771 18.981 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.391 19.628 0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.059 20.997 2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -2.447 20.334 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -2.387 22.491 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -1.828 21.298 0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.389 21.940 0.357 1.00 0.00 H new ATOM 525 N ARG A 347 -4.964 13.877 0.840 1.00 0.00 N ATOM 526 CA ARG A 347 -5.520 12.738 0.122 1.00 0.00 C ATOM 527 C ARG A 347 -6.170 11.746 1.079 1.00 0.00 C ATOM 528 O ARG A 347 -7.136 11.070 0.726 1.00 0.00 O ATOM 529 CB ARG A 347 -4.488 12.060 -0.766 1.00 0.00 C ATOM 530 CG ARG A 347 -4.063 12.865 -1.984 1.00 0.00 C ATOM 531 CD ARG A 347 -3.076 12.181 -2.857 1.00 0.00 C ATOM 532 NE ARG A 347 -2.689 12.937 -4.038 1.00 0.00 N ATOM 533 CZ ARG A 347 -1.773 12.533 -4.939 1.00 0.00 C ATOM 534 NH1 ARG A 347 -1.119 11.404 -4.780 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -1.530 13.315 -5.976 1.00 0.00 N ATOM 0 H ARG A 347 -3.948 13.865 0.926 1.00 0.00 H new ATOM 0 HA ARG A 347 -6.298 13.124 -0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.604 11.840 -0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.891 11.105 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -4.948 13.103 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -3.639 13.812 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -2.183 11.963 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -3.491 11.224 -3.174 1.00 0.00 H new ATOM 0 HE ARG A 347 -3.143 13.837 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -1.302 10.819 -3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 347 -0.429 11.113 -5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -2.031 14.198 -6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 347 -0.842 13.036 -6.675 1.00 0.00 H new ATOM 549 N LEU A 348 -5.633 11.665 2.293 1.00 0.00 N ATOM 550 CA LEU A 348 -6.227 10.841 3.338 1.00 0.00 C ATOM 551 C LEU A 348 -7.682 11.222 3.581 1.00 0.00 C ATOM 552 O LEU A 348 -8.578 10.383 3.487 1.00 0.00 O ATOM 553 CB LEU A 348 -5.418 10.968 4.635 1.00 0.00 C ATOM 554 CG LEU A 348 -5.763 9.942 5.722 1.00 0.00 C ATOM 555 CD1 LEU A 348 -4.843 10.123 6.923 1.00 0.00 C ATOM 556 CD2 LEU A 348 -7.220 10.102 6.130 1.00 0.00 C ATOM 0 H LEU A 348 -4.788 12.160 2.576 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.204 9.803 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -4.359 10.877 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -5.567 11.968 5.041 1.00 0.00 H new ATOM 0 HG LEU A 348 -5.618 8.935 5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -5.096 9.390 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -3.808 9.981 6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -4.966 11.128 7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -7.464 9.372 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -7.381 11.108 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -7.860 9.940 5.263 1.00 0.00 H new ATOM 568 N LYS A 349 -7.911 12.493 3.895 1.00 0.00 N ATOM 569 CA LYS A 349 -9.254 12.982 4.178 1.00 0.00 C ATOM 570 C LYS A 349 -9.985 13.360 2.896 1.00 0.00 C ATOM 571 O LYS A 349 -10.491 12.508 2.220 1.00 0.00 O ATOM 572 CB LYS A 349 -9.199 14.182 5.125 1.00 0.00 C ATOM 573 CG LYS A 349 -10.562 14.721 5.538 1.00 0.00 C ATOM 574 CD LYS A 349 -10.427 15.870 6.527 1.00 0.00 C ATOM 575 CE LYS A 349 -11.789 16.413 6.935 1.00 0.00 C ATOM 576 NZ LYS A 349 -11.673 17.524 7.917 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.182 13.203 3.960 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.807 12.176 4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -8.648 13.897 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -8.636 14.982 4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -11.104 15.060 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -11.151 13.921 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -9.889 15.529 7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -9.834 16.668 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -12.319 16.765 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -12.386 15.609 7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -12.623 17.865 8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -11.190 17.182 8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -11.125 18.302 7.498 1.00 0.00 H new