USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 295 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= -0.0277 X(o=-0.028,f=-0.17) USER MOD Single : A 327 SER OG : rot 83:sc= 0.73 USER MOD Single : A 329 TYR OH : rot -45:sc= 0.895 USER MOD Single : A 335 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 336 HIS : no HD1:sc= 0.742 K(o=1.6,f=-5.2!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl -148:sc= 0 (180deg=-0.0147) 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 1 N GLU A 315 1.037 0.038 -0.867 1.00 0.00 N ATOM 2 CA GLU A 315 -0.027 0.994 -0.582 1.00 0.00 C ATOM 3 C GLU A 315 0.518 2.413 -0.489 1.00 0.00 C ATOM 4 O GLU A 315 1.721 2.617 -0.321 1.00 0.00 O ATOM 5 CB GLU A 315 -0.748 0.621 0.716 1.00 0.00 C ATOM 6 CG GLU A 315 -1.528 -0.684 0.650 1.00 0.00 C ATOM 7 CD GLU A 315 -2.152 -1.015 1.977 1.00 0.00 C ATOM 8 OE1 GLU A 315 -2.868 -0.194 2.496 1.00 0.00 O ATOM 9 OE2 GLU A 315 -2.006 -2.131 2.418 1.00 0.00 O1- ATOM 0 HA GLU A 315 -0.739 0.956 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 315 -0.013 0.551 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 315 -1.433 1.426 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 315 -2.305 -0.608 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 315 -0.863 -1.493 0.347 1.00 0.00 H new ATOM 16 N ASP A 316 -0.373 3.392 -0.599 1.00 0.00 N ATOM 17 CA ASP A 316 0.015 4.795 -0.522 1.00 0.00 C ATOM 18 C ASP A 316 0.151 5.250 0.925 1.00 0.00 C ATOM 19 O ASP A 316 -0.232 4.534 1.850 1.00 0.00 O ATOM 20 CB ASP A 316 -0.999 5.674 -1.256 1.00 0.00 C ATOM 21 CG ASP A 316 -0.426 6.976 -1.800 1.00 0.00 C ATOM 22 OD1 ASP A 316 0.716 7.260 -1.527 1.00 0.00 O ATOM 23 OD2 ASP A 316 -1.076 7.597 -2.607 1.00 0.00 O1- ATOM 0 H ASP A 316 -1.371 3.239 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 316 0.987 4.898 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 316 -1.424 5.105 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 316 -1.818 5.908 -0.576 1.00 0.00 H new ATOM 28 N VAL A 317 0.699 6.445 1.116 1.00 0.00 N ATOM 29 CA VAL A 317 0.944 6.973 2.453 1.00 0.00 C ATOM 30 C VAL A 317 -0.361 7.174 3.213 1.00 0.00 C ATOM 31 O VAL A 317 -0.400 7.065 4.439 1.00 0.00 O ATOM 32 CB VAL A 317 1.708 8.309 2.403 1.00 0.00 C ATOM 33 CG1 VAL A 317 0.809 9.417 1.877 1.00 0.00 C ATOM 34 CG2 VAL A 317 2.245 8.667 3.780 1.00 0.00 C ATOM 0 H VAL A 317 0.983 7.068 0.360 1.00 0.00 H new ATOM 0 HA VAL A 317 1.555 6.236 2.974 1.00 0.00 H new ATOM 0 HB VAL A 317 2.552 8.198 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 317 1.365 10.354 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 317 0.471 9.165 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -0.054 9.527 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 317 2.782 9.614 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 317 1.416 8.760 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 317 2.923 7.884 4.121 1.00 0.00 H new ATOM 44 N TRP A 318 -1.429 7.466 2.479 1.00 0.00 N ATOM 45 CA TRP A 318 -2.746 7.641 3.078 1.00 0.00 C ATOM 46 C TRP A 318 -3.402 6.298 3.368 1.00 0.00 C ATOM 47 O TRP A 318 -3.992 6.100 4.430 1.00 0.00 O ATOM 48 CB TRP A 318 -3.643 8.475 2.160 1.00 0.00 C ATOM 49 CG TRP A 318 -4.952 8.853 2.785 1.00 0.00 C ATOM 50 CD1 TRP A 318 -5.252 8.850 4.115 1.00 0.00 C ATOM 51 CD2 TRP A 318 -6.135 9.290 2.107 1.00 0.00 C ATOM 52 NE1 TRP A 318 -6.548 9.256 4.308 1.00 0.00 N ATOM 53 CE2 TRP A 318 -7.113 9.534 3.089 1.00 0.00 C ATOM 54 CE3 TRP A 318 -6.463 9.501 0.762 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -8.390 9.972 2.774 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -7.743 9.941 0.446 1.00 0.00 C ATOM 57 CH2 TRP A 318 -8.678 10.171 1.423 1.00 0.00 C ATOM 0 H TRP A 318 -1.408 7.587 1.466 1.00 0.00 H new ATOM 0 HA TRP A 318 -2.616 8.168 4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.112 9.382 1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -3.835 7.914 1.245 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -4.568 8.569 4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -7.016 9.338 5.211 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -5.735 9.325 -0.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -9.130 10.151 3.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -8.006 10.105 -0.588 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -9.662 10.515 1.140 1.00 0.00 H new ATOM 68 N GLU A 319 -3.296 5.375 2.417 1.00 0.00 N ATOM 69 CA GLU A 319 -3.896 4.054 2.561 1.00 0.00 C ATOM 70 C GLU A 319 -3.334 3.323 3.772 1.00 0.00 C ATOM 71 O GLU A 319 -4.030 2.535 4.413 1.00 0.00 O ATOM 72 CB GLU A 319 -3.673 3.224 1.295 1.00 0.00 C ATOM 73 CG GLU A 319 -4.477 3.687 0.089 1.00 0.00 C ATOM 74 CD GLU A 319 -4.016 3.006 -1.170 1.00 0.00 C ATOM 75 OE1 GLU A 319 -3.013 2.335 -1.127 1.00 0.00 O ATOM 76 OE2 GLU A 319 -4.726 3.062 -2.146 1.00 0.00 O1- ATOM 0 H GLU A 319 -2.799 5.518 1.538 1.00 0.00 H new ATOM 0 HA GLU A 319 -4.967 4.189 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.613 3.249 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -3.925 2.185 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -5.534 3.477 0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -4.380 4.767 -0.023 1.00 0.00 H new ATOM 83 N ILE A 320 -2.069 3.588 4.082 1.00 0.00 N ATOM 84 CA ILE A 320 -1.452 3.062 5.295 1.00 0.00 C ATOM 85 C ILE A 320 -1.943 3.805 6.530 1.00 0.00 C ATOM 86 O ILE A 320 -2.256 3.193 7.551 1.00 0.00 O ATOM 87 CB ILE A 320 0.085 3.152 5.230 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.622 2.285 4.089 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.698 2.732 6.558 1.00 0.00 C ATOM 90 CD1 ILE A 320 0.353 0.808 4.266 1.00 0.00 C ATOM 0 H ILE A 320 -1.451 4.164 3.510 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.743 2.014 5.367 1.00 0.00 H new ATOM 0 HB ILE A 320 0.365 4.187 5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.175 2.616 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 320 1.697 2.441 4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.784 2.801 6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.337 3.389 7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 320 0.412 1.704 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 320 0.763 0.259 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 320 0.824 0.460 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 320 -0.722 0.638 4.322 1.00 0.00 H new ATOM 102 N LEU A 321 -2.008 5.129 6.431 1.00 0.00 N ATOM 103 CA LEU A 321 -2.429 5.961 7.553 1.00 0.00 C ATOM 104 C LEU A 321 -3.832 5.591 8.017 1.00 0.00 C ATOM 105 O LEU A 321 -4.173 5.759 9.188 1.00 0.00 O ATOM 106 CB LEU A 321 -2.370 7.443 7.164 1.00 0.00 C ATOM 107 CG LEU A 321 -1.108 8.187 7.618 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.084 7.239 7.624 1.00 0.00 C ATOM 109 CD2 LEU A 321 -0.852 9.369 6.693 1.00 0.00 C ATOM 0 H LEU A 321 -1.774 5.649 5.585 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.744 5.784 8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -2.448 7.521 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -3.241 7.947 7.583 1.00 0.00 H new ATOM 0 HG LEU A 321 -1.252 8.560 8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 321 0.975 7.777 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 321 -0.111 6.414 8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 321 0.242 6.847 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 321 0.045 9.897 7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 321 -0.713 9.010 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 321 -1.704 10.048 6.726 1.00 0.00 H new ATOM 121 N ARG A 322 -4.642 5.085 7.093 1.00 0.00 N ATOM 122 CA ARG A 322 -6.022 4.726 7.397 1.00 0.00 C ATOM 123 C ARG A 322 -6.084 3.601 8.423 1.00 0.00 C ATOM 124 O ARG A 322 -7.034 3.511 9.201 1.00 0.00 O ATOM 125 CB ARG A 322 -6.815 4.383 6.145 1.00 0.00 C ATOM 126 CG ARG A 322 -7.171 5.572 5.267 1.00 0.00 C ATOM 127 CD ARG A 322 -7.902 5.218 4.024 1.00 0.00 C ATOM 128 NE ARG A 322 -9.223 4.649 4.244 1.00 0.00 N ATOM 129 CZ ARG A 322 -9.976 4.070 3.288 1.00 0.00 C ATOM 130 NH1 ARG A 322 -9.561 4.013 2.041 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -11.154 3.580 3.632 1.00 0.00 N ATOM 0 H ARG A 322 -4.366 4.914 6.126 1.00 0.00 H new ATOM 0 HA ARG A 322 -6.493 5.605 7.836 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -6.240 3.671 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -7.736 3.881 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -7.779 6.267 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -6.255 6.097 4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -8.003 6.112 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -7.303 4.506 3.455 1.00 0.00 H new ATOM 0 HE ARG A 322 -9.606 4.691 5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -8.657 4.411 1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -10.143 3.571 1.329 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -11.471 3.646 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -11.746 3.136 2.930 1.00 0.00 H new ATOM 145 N GLN A 323 -5.067 2.746 8.420 1.00 0.00 N ATOM 146 CA GLN A 323 -5.045 1.580 9.293 1.00 0.00 C ATOM 147 C GLN A 323 -3.945 1.695 10.340 1.00 0.00 C ATOM 148 O GLN A 323 -3.922 0.945 11.316 1.00 0.00 O ATOM 149 CB GLN A 323 -4.845 0.301 8.473 1.00 0.00 C ATOM 150 CG GLN A 323 -5.916 0.062 7.422 1.00 0.00 C ATOM 151 CD GLN A 323 -7.287 -0.159 8.033 1.00 0.00 C ATOM 152 OE1 GLN A 323 -7.440 -0.927 8.988 1.00 0.00 O ATOM 153 NE2 GLN A 323 -8.293 0.510 7.483 1.00 0.00 N ATOM 0 H GLN A 323 -4.246 2.840 7.821 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.006 1.533 9.806 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -3.873 0.346 7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -4.820 -0.552 9.151 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -5.956 0.917 6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -5.645 -0.806 6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -8.120 1.134 6.695 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -9.239 0.400 7.848 1.00 0.00 H new ATOM 162 N ALA A 324 -3.035 2.641 10.133 1.00 0.00 N ATOM 163 CA ALA A 324 -1.875 2.792 11.003 1.00 0.00 C ATOM 164 C ALA A 324 -2.169 3.747 12.152 1.00 0.00 C ATOM 165 O ALA A 324 -2.982 4.662 12.020 1.00 0.00 O ATOM 166 CB ALA A 324 -0.673 3.273 10.204 1.00 0.00 C ATOM 0 H ALA A 324 -3.079 3.315 9.369 1.00 0.00 H new ATOM 0 HA ALA A 324 -1.644 1.816 11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 324 0.185 3.381 10.867 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -0.440 2.547 9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -0.902 4.236 9.747 1.00 0.00 H new ATOM 172 N PRO A 325 -1.503 3.530 13.281 1.00 0.00 N ATOM 173 CA PRO A 325 -1.616 4.430 14.423 1.00 0.00 C ATOM 174 C PRO A 325 -0.939 5.765 14.141 1.00 0.00 C ATOM 175 O PRO A 325 -0.044 5.852 13.301 1.00 0.00 O ATOM 176 CB PRO A 325 -0.937 3.670 15.567 1.00 0.00 C ATOM 177 CG PRO A 325 0.067 2.800 14.891 1.00 0.00 C ATOM 178 CD PRO A 325 -0.567 2.398 13.585 1.00 0.00 C ATOM 0 HA PRO A 325 -2.649 4.683 14.660 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -0.461 4.353 16.270 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -1.657 3.079 16.134 1.00 0.00 H new ATOM 0 HG2 PRO A 325 1.002 3.335 14.726 1.00 0.00 H new ATOM 0 HG3 PRO A 325 0.303 1.926 15.499 1.00 0.00 H new ATOM 0 HD2 PRO A 325 0.179 2.273 12.800 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -1.099 1.451 13.673 1.00 0.00 H new ATOM 186 N PRO A 326 -1.374 6.803 14.848 1.00 0.00 N ATOM 187 CA PRO A 326 -0.928 8.162 14.567 1.00 0.00 C ATOM 188 C PRO A 326 0.529 8.359 14.968 1.00 0.00 C ATOM 189 O PRO A 326 1.175 9.318 14.548 1.00 0.00 O ATOM 190 CB PRO A 326 -1.875 9.044 15.385 1.00 0.00 C ATOM 191 CG PRO A 326 -2.388 8.144 16.457 1.00 0.00 C ATOM 192 CD PRO A 326 -2.485 6.782 15.822 1.00 0.00 C ATOM 0 HA PRO A 326 -0.962 8.405 13.505 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -1.353 9.904 15.804 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -2.687 9.432 14.770 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -1.715 8.131 17.314 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -3.360 8.479 16.820 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -2.367 5.983 16.555 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -3.448 6.629 15.335 1.00 0.00 H new ATOM 200 N SER A 327 1.041 7.443 15.784 1.00 0.00 N ATOM 201 CA SER A 327 2.405 7.544 16.288 1.00 0.00 C ATOM 202 C SER A 327 3.422 7.257 15.190 1.00 0.00 C ATOM 203 O SER A 327 4.578 7.666 15.280 1.00 0.00 O ATOM 204 CB SER A 327 2.603 6.592 17.452 1.00 0.00 C ATOM 205 OG SER A 327 2.559 5.250 17.048 1.00 0.00 O ATOM 0 H SER A 327 0.531 6.622 16.110 1.00 0.00 H new ATOM 0 HA SER A 327 2.564 8.566 16.633 1.00 0.00 H new ATOM 0 HB2 SER A 327 3.562 6.796 17.928 1.00 0.00 H new ATOM 0 HB3 SER A 327 1.832 6.770 18.201 1.00 0.00 H new ATOM 0 HG SER A 327 3.437 4.983 16.704 1.00 0.00 H new ATOM 211 N GLU A 328 2.981 6.552 14.153 1.00 0.00 N ATOM 212 CA GLU A 328 3.889 6.044 13.132 1.00 0.00 C ATOM 213 C GLU A 328 3.778 6.853 11.845 1.00 0.00 C ATOM 214 O GLU A 328 4.464 6.572 10.863 1.00 0.00 O ATOM 215 CB GLU A 328 3.608 4.567 12.850 1.00 0.00 C ATOM 216 CG GLU A 328 3.710 3.664 14.070 1.00 0.00 C ATOM 217 CD GLU A 328 5.025 3.844 14.776 1.00 0.00 C ATOM 218 OE1 GLU A 328 6.040 3.769 14.127 1.00 0.00 O ATOM 219 OE2 GLU A 328 5.012 4.170 15.940 1.00 0.00 O1- ATOM 0 H GLU A 328 2.000 6.320 13.998 1.00 0.00 H new ATOM 0 HA GLU A 328 4.906 6.144 13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 328 2.608 4.474 12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 328 4.308 4.215 12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 328 2.893 3.884 14.757 1.00 0.00 H new ATOM 0 HG3 GLU A 328 3.598 2.624 13.765 1.00 0.00 H new ATOM 226 N TYR A 329 2.910 7.859 11.858 1.00 0.00 N ATOM 227 CA TYR A 329 2.632 8.646 10.663 1.00 0.00 C ATOM 228 C TYR A 329 3.896 9.312 10.136 1.00 0.00 C ATOM 229 O TYR A 329 4.072 9.463 8.926 1.00 0.00 O ATOM 230 CB TYR A 329 1.564 9.703 10.954 1.00 0.00 C ATOM 231 CG TYR A 329 0.160 9.147 11.045 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.078 7.787 10.910 1.00 0.00 C ATOM 233 CD2 TYR A 329 -0.923 9.985 11.266 1.00 0.00 C ATOM 234 CE1 TYR A 329 -1.358 7.275 10.992 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.207 9.484 11.349 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.422 8.128 11.212 1.00 0.00 C ATOM 237 OH TYR A 329 -3.699 7.623 11.295 1.00 0.00 O ATOM 0 H TYR A 329 2.387 8.149 12.684 1.00 0.00 H new ATOM 0 HA TYR A 329 2.259 7.967 9.896 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.808 10.203 11.891 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.594 10.461 10.171 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.752 7.117 10.738 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -0.759 11.047 11.375 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -1.526 6.214 10.885 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.039 10.151 11.520 1.00 0.00 H new ATOM 0 HH TYR A 329 -3.842 6.974 10.575 1.00 0.00 H new ATOM 247 N GLU A 330 4.774 9.709 11.050 1.00 0.00 N ATOM 248 CA GLU A 330 6.018 10.373 10.679 1.00 0.00 C ATOM 249 C GLU A 330 6.917 9.448 9.871 1.00 0.00 C ATOM 250 O GLU A 330 7.411 9.820 8.806 1.00 0.00 O ATOM 251 CB GLU A 330 6.756 10.865 11.927 1.00 0.00 C ATOM 252 CG GLU A 330 8.063 11.590 11.640 1.00 0.00 C ATOM 253 CD GLU A 330 8.713 12.067 12.909 1.00 0.00 C ATOM 254 OE1 GLU A 330 8.157 11.847 13.958 1.00 0.00 O ATOM 255 OE2 GLU A 330 9.819 12.552 12.841 1.00 0.00 O1- ATOM 0 H GLU A 330 4.647 9.582 12.054 1.00 0.00 H new ATOM 0 HA GLU A 330 5.764 11.231 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 330 6.099 11.533 12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 330 6.962 10.011 12.572 1.00 0.00 H new ATOM 0 HG2 GLU A 330 8.742 10.923 11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 330 7.874 12.440 10.984 1.00 0.00 H new ATOM 262 N ARG A 331 7.127 8.240 10.382 1.00 0.00 N ATOM 263 CA ARG A 331 8.008 7.275 9.734 1.00 0.00 C ATOM 264 C ARG A 331 7.384 6.733 8.454 1.00 0.00 C ATOM 265 O ARG A 331 8.082 6.464 7.478 1.00 0.00 O ATOM 266 CB ARG A 331 8.418 6.151 10.674 1.00 0.00 C ATOM 267 CG ARG A 331 9.370 6.562 11.786 1.00 0.00 C ATOM 268 CD ARG A 331 9.696 5.476 12.746 1.00 0.00 C ATOM 269 NE ARG A 331 10.602 5.868 13.814 1.00 0.00 N ATOM 270 CZ ARG A 331 10.965 5.072 14.838 1.00 0.00 C ATOM 271 NH1 ARG A 331 10.476 3.858 14.959 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 11.810 5.554 15.734 1.00 0.00 N ATOM 0 H ARG A 331 6.698 7.905 11.245 1.00 0.00 H new ATOM 0 HA ARG A 331 8.920 7.806 9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 331 7.520 5.726 11.123 1.00 0.00 H new ATOM 0 HB3 ARG A 331 8.886 5.360 10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 331 10.295 6.926 11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 331 8.931 7.396 12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 331 8.770 5.109 13.189 1.00 0.00 H new ATOM 0 HD3 ARG A 331 10.139 4.644 12.198 1.00 0.00 H new ATOM 0 HE ARG A 331 10.989 6.811 13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 331 9.811 3.505 14.271 1.00 0.00 H new ATOM 0 HH12 ARG A 331 10.762 3.269 15.741 1.00 0.00 H new ATOM 0 HH21 ARG A 331 12.168 6.504 15.638 1.00 0.00 H new ATOM 0 HH22 ARG A 331 12.104 4.975 16.521 1.00 0.00 H new ATOM 286 N ILE A 332 6.065 6.573 8.467 1.00 0.00 N ATOM 287 CA ILE A 332 5.339 6.105 7.293 1.00 0.00 C ATOM 288 C ILE A 332 5.496 7.072 6.126 1.00 0.00 C ATOM 289 O ILE A 332 5.736 6.658 4.992 1.00 0.00 O ATOM 290 CB ILE A 332 3.841 5.917 7.592 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.632 4.749 8.559 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.065 5.690 6.304 1.00 0.00 C ATOM 293 CD1 ILE A 332 2.255 4.708 9.181 1.00 0.00 C ATOM 0 H ILE A 332 5.477 6.761 9.279 1.00 0.00 H new ATOM 0 HA ILE A 332 5.769 5.141 7.023 1.00 0.00 H new ATOM 0 HB ILE A 332 3.466 6.826 8.063 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.808 3.814 8.027 1.00 0.00 H new ATOM 0 HG13 ILE A 332 4.377 4.809 9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.008 5.559 6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.189 6.551 5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 332 3.441 4.797 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 332 2.185 3.853 9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 332 2.082 5.626 9.742 1.00 0.00 H new ATOM 0 HD13 ILE A 332 1.504 4.615 8.396 1.00 0.00 H new ATOM 305 N ALA A 333 5.360 8.362 6.411 1.00 0.00 N ATOM 306 CA ALA A 333 5.594 9.397 5.411 1.00 0.00 C ATOM 307 C ALA A 333 7.001 9.298 4.835 1.00 0.00 C ATOM 308 O ALA A 333 7.197 9.422 3.626 1.00 0.00 O ATOM 309 CB ALA A 333 5.358 10.776 6.010 1.00 0.00 C ATOM 0 H ALA A 333 5.088 8.717 7.328 1.00 0.00 H new ATOM 0 HA ALA A 333 4.887 9.244 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 333 5.537 11.538 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.329 10.849 6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 333 6.039 10.931 6.847 1.00 0.00 H new ATOM 315 N PHE A 334 7.978 9.075 5.708 1.00 0.00 N ATOM 316 CA PHE A 334 9.372 8.991 5.291 1.00 0.00 C ATOM 317 C PHE A 334 9.593 7.821 4.340 1.00 0.00 C ATOM 318 O PHE A 334 10.408 7.902 3.420 1.00 0.00 O ATOM 319 CB PHE A 334 10.287 8.857 6.510 1.00 0.00 C ATOM 320 CG PHE A 334 10.320 10.080 7.380 1.00 0.00 C ATOM 321 CD1 PHE A 334 9.749 11.270 6.951 1.00 0.00 C ATOM 322 CD2 PHE A 334 10.924 10.047 8.628 1.00 0.00 C ATOM 323 CE1 PHE A 334 9.779 12.396 7.751 1.00 0.00 C ATOM 324 CE2 PHE A 334 10.955 11.171 9.430 1.00 0.00 C ATOM 325 CZ PHE A 334 10.382 12.347 8.990 1.00 0.00 C ATOM 0 H PHE A 334 7.829 8.949 6.709 1.00 0.00 H new ATOM 0 HA PHE A 334 9.618 9.911 4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 334 9.959 8.006 7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.299 8.637 6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 334 9.276 11.316 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 334 11.376 9.130 8.977 1.00 0.00 H new ATOM 0 HE1 PHE A 334 9.330 13.315 7.406 1.00 0.00 H new ATOM 0 HE2 PHE A 334 11.427 11.130 10.400 1.00 0.00 H new ATOM 0 HZ PHE A 334 10.406 13.227 9.615 1.00 0.00 H new ATOM 335 N GLN A 335 8.863 6.735 4.566 1.00 0.00 N ATOM 336 CA GLN A 335 8.966 5.552 3.720 1.00 0.00 C ATOM 337 C GLN A 335 8.434 5.827 2.320 1.00 0.00 C ATOM 338 O GLN A 335 8.822 5.166 1.356 1.00 0.00 O ATOM 339 CB GLN A 335 8.203 4.379 4.342 1.00 0.00 C ATOM 340 CG GLN A 335 8.864 3.790 5.575 1.00 0.00 C ATOM 341 CD GLN A 335 8.061 2.652 6.175 1.00 0.00 C ATOM 342 OE1 GLN A 335 7.005 2.278 5.656 1.00 0.00 O ATOM 343 NE2 GLN A 335 8.554 2.096 7.276 1.00 0.00 N ATOM 0 H GLN A 335 8.192 6.649 5.330 1.00 0.00 H new ATOM 0 HA GLN A 335 10.022 5.292 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 335 7.199 4.712 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 335 8.092 3.595 3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 335 9.859 3.430 5.313 1.00 0.00 H new ATOM 0 HG3 GLN A 335 8.994 4.572 6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 335 9.430 2.437 7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 335 8.056 1.328 7.726 1.00 0.00 H new ATOM 352 N HIS A 336 7.542 6.807 2.214 1.00 0.00 N ATOM 353 CA HIS A 336 6.922 7.144 0.937 1.00 0.00 C ATOM 354 C HIS A 336 7.587 8.359 0.305 1.00 0.00 C ATOM 355 O HIS A 336 7.161 8.834 -0.748 1.00 0.00 O ATOM 356 CB HIS A 336 5.423 7.401 1.116 1.00 0.00 C ATOM 357 CG HIS A 336 4.623 6.158 1.352 1.00 0.00 C ATOM 358 ND1 HIS A 336 4.441 5.618 2.609 1.00 0.00 N ATOM 359 CD2 HIS A 336 3.959 5.348 0.495 1.00 0.00 C ATOM 360 CE1 HIS A 336 3.697 4.529 2.513 1.00 0.00 C ATOM 361 NE2 HIS A 336 3.392 4.344 1.242 1.00 0.00 N ATOM 0 H HIS A 336 7.232 7.382 2.997 1.00 0.00 H new ATOM 0 HA HIS A 336 7.058 6.293 0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 336 5.278 8.081 1.956 1.00 0.00 H new ATOM 0 HB3 HIS A 336 5.041 7.905 0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 336 3.888 5.468 -0.576 1.00 0.00 H new ATOM 0 HE1 HIS A 336 3.391 3.898 3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 336 2.827 3.579 0.874 1.00 0.00 H new ATOM 368 N GLY A 337 8.634 8.859 0.952 1.00 0.00 N ATOM 369 CA GLY A 337 9.375 10.006 0.442 1.00 0.00 C ATOM 370 C GLY A 337 8.585 11.296 0.624 1.00 0.00 C ATOM 371 O GLY A 337 8.790 12.268 -0.103 1.00 0.00 O ATOM 0 H GLY A 337 8.989 8.487 1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 337 10.330 10.085 0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 337 9.597 9.858 -0.615 1.00 0.00 H new ATOM 375 N VAL A 338 7.682 11.299 1.599 1.00 0.00 N ATOM 376 CA VAL A 338 6.825 12.452 1.845 1.00 0.00 C ATOM 377 C VAL A 338 7.377 13.320 2.969 1.00 0.00 C ATOM 378 O VAL A 338 7.522 12.865 4.104 1.00 0.00 O ATOM 379 CB VAL A 338 5.389 12.023 2.200 1.00 0.00 C ATOM 380 CG1 VAL A 338 4.526 13.241 2.493 1.00 0.00 C ATOM 381 CG2 VAL A 338 4.784 11.200 1.073 1.00 0.00 C ATOM 0 H VAL A 338 7.525 10.515 2.232 1.00 0.00 H new ATOM 0 HA VAL A 338 6.804 13.030 0.921 1.00 0.00 H new ATOM 0 HB VAL A 338 5.427 11.404 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 338 3.515 12.919 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 338 4.948 13.793 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 338 4.496 13.885 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 338 3.769 10.906 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 338 4.760 11.795 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 338 5.389 10.308 0.908 1.00 0.00 H new ATOM 391 N THR A 339 7.684 14.572 2.646 1.00 0.00 N ATOM 392 CA THR A 339 8.205 15.511 3.633 1.00 0.00 C ATOM 393 C THR A 339 7.105 16.422 4.161 1.00 0.00 C ATOM 394 O THR A 339 7.154 16.871 5.306 1.00 0.00 O ATOM 395 CB THR A 339 9.336 16.376 3.047 1.00 0.00 C ATOM 396 OG1 THR A 339 8.837 17.132 1.936 1.00 0.00 O ATOM 397 CG2 THR A 339 10.491 15.502 2.582 1.00 0.00 C ATOM 0 H THR A 339 7.581 14.960 1.708 1.00 0.00 H new ATOM 0 HA THR A 339 8.604 14.915 4.454 1.00 0.00 H new ATOM 0 HB THR A 339 9.695 17.051 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 339 9.558 17.683 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.281 16.131 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 339 10.882 14.935 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.140 14.813 1.814 1.00 0.00 H new ATOM 405 N ASP A 340 6.112 16.691 3.321 1.00 0.00 N ATOM 406 CA ASP A 340 4.924 17.420 3.746 1.00 0.00 C ATOM 407 C ASP A 340 3.698 16.516 3.760 1.00 0.00 C ATOM 408 O ASP A 340 2.952 16.449 2.783 1.00 0.00 O ATOM 409 CB ASP A 340 4.678 18.624 2.834 1.00 0.00 C ATOM 410 CG ASP A 340 3.504 19.500 3.252 1.00 0.00 C ATOM 411 OD1 ASP A 340 2.820 19.140 4.180 1.00 0.00 O ATOM 412 OD2 ASP A 340 3.393 20.590 2.745 1.00 0.00 O1- ATOM 0 H ASP A 340 6.107 16.414 2.339 1.00 0.00 H new ATOM 0 HA ASP A 340 5.098 17.775 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.580 19.235 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.506 18.266 1.819 1.00 0.00 H new ATOM 417 N LEU A 341 3.495 15.820 4.875 1.00 0.00 N ATOM 418 CA LEU A 341 2.427 14.833 4.977 1.00 0.00 C ATOM 419 C LEU A 341 1.057 15.494 4.915 1.00 0.00 C ATOM 420 O LEU A 341 0.130 14.968 4.296 1.00 0.00 O ATOM 421 CB LEU A 341 2.573 14.028 6.275 1.00 0.00 C ATOM 422 CG LEU A 341 1.541 12.910 6.468 1.00 0.00 C ATOM 423 CD1 LEU A 341 1.609 11.930 5.305 1.00 0.00 C ATOM 424 CD2 LEU A 341 1.803 12.199 7.789 1.00 0.00 C ATOM 0 H LEU A 341 4.057 15.922 5.720 1.00 0.00 H new ATOM 0 HA LEU A 341 2.510 14.155 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 341 3.570 13.589 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 341 2.504 14.714 7.119 1.00 0.00 H new ATOM 0 HG LEU A 341 0.540 13.340 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 341 0.872 11.140 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.397 12.455 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 341 2.606 11.492 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 341 1.070 11.404 7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 341 2.805 11.770 7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 341 1.722 12.913 8.609 1.00 0.00 H new ATOM 436 N ARG A 342 0.933 16.650 5.557 1.00 0.00 N ATOM 437 CA ARG A 342 -0.324 17.387 5.575 1.00 0.00 C ATOM 438 C ARG A 342 -0.761 17.763 4.164 1.00 0.00 C ATOM 439 O ARG A 342 -1.916 17.563 3.787 1.00 0.00 O ATOM 440 CB ARG A 342 -0.264 18.606 6.483 1.00 0.00 C ATOM 441 CG ARG A 342 -0.194 18.293 7.968 1.00 0.00 C ATOM 442 CD ARG A 342 -0.066 19.489 8.841 1.00 0.00 C ATOM 443 NE ARG A 342 0.067 19.191 10.257 1.00 0.00 N ATOM 444 CZ ARG A 342 0.271 20.113 11.218 1.00 0.00 C ATOM 445 NH1 ARG A 342 0.404 21.386 10.917 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 0.359 19.702 12.470 1.00 0.00 N ATOM 0 H ARG A 342 1.690 17.098 6.073 1.00 0.00 H new ATOM 0 HA ARG A 342 -1.079 16.722 5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 342 0.607 19.202 6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -1.143 19.223 6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 342 -1.091 17.744 8.254 1.00 0.00 H new ATOM 0 HG3 ARG A 342 0.655 17.634 8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 342 0.802 20.065 8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 342 -0.941 20.123 8.697 1.00 0.00 H new ATOM 0 HE ARG A 342 0.001 18.214 10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 342 0.353 21.688 9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 342 0.558 22.072 11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 342 0.273 18.709 12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 342 0.513 20.377 13.219 1.00 0.00 H new ATOM 460 N GLY A 343 0.169 18.310 3.389 1.00 0.00 N ATOM 461 CA GLY A 343 -0.111 18.692 2.010 1.00 0.00 C ATOM 462 C GLY A 343 -0.342 17.466 1.135 1.00 0.00 C ATOM 463 O GLY A 343 -1.170 17.489 0.223 1.00 0.00 O ATOM 0 H GLY A 343 1.124 18.499 3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -0.991 19.335 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.722 19.273 1.614 1.00 0.00 H new ATOM 467 N MET A 344 0.395 16.397 1.417 1.00 0.00 N ATOM 468 CA MET A 344 0.263 15.156 0.663 1.00 0.00 C ATOM 469 C MET A 344 -1.119 14.542 0.847 1.00 0.00 C ATOM 470 O MET A 344 -1.720 14.047 -0.106 1.00 0.00 O ATOM 471 CB MET A 344 1.343 14.163 1.089 1.00 0.00 C ATOM 472 CG MET A 344 1.399 12.895 0.249 1.00 0.00 C ATOM 473 SD MET A 344 1.969 13.201 -1.435 1.00 0.00 S ATOM 474 CE MET A 344 1.491 11.673 -2.236 1.00 0.00 C ATOM 0 H MET A 344 1.090 16.365 2.163 1.00 0.00 H new ATOM 0 HA MET A 344 0.390 15.389 -0.394 1.00 0.00 H new ATOM 0 HB2 MET A 344 2.313 14.658 1.043 1.00 0.00 H new ATOM 0 HB3 MET A 344 1.175 13.887 2.130 1.00 0.00 H new ATOM 0 HG2 MET A 344 2.063 12.176 0.728 1.00 0.00 H new ATOM 0 HG3 MET A 344 0.408 12.442 0.216 1.00 0.00 H new ATOM 0 HE1 MET A 344 2.203 11.439 -3.028 1.00 0.00 H new ATOM 0 HE2 MET A 344 1.484 10.865 -1.504 1.00 0.00 H new ATOM 0 HE3 MET A 344 0.495 11.783 -2.665 1.00 0.00 H new ATOM 484 N LEU A 345 -1.617 14.579 2.078 1.00 0.00 N ATOM 485 CA LEU A 345 -2.924 14.015 2.392 1.00 0.00 C ATOM 486 C LEU A 345 -4.046 14.877 1.828 1.00 0.00 C ATOM 487 O LEU A 345 -5.091 14.365 1.424 1.00 0.00 O ATOM 488 CB LEU A 345 -3.083 13.858 3.910 1.00 0.00 C ATOM 489 CG LEU A 345 -2.167 12.813 4.558 1.00 0.00 C ATOM 490 CD1 LEU A 345 -2.299 12.870 6.074 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.528 11.429 4.038 1.00 0.00 C ATOM 0 H LEU A 345 -1.135 14.994 2.875 1.00 0.00 H new ATOM 0 HA LEU A 345 -2.989 13.032 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.896 14.823 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -4.118 13.594 4.125 1.00 0.00 H new ATOM 0 HG LEU A 345 -1.130 13.027 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -1.644 12.124 6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -2.016 13.862 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -3.331 12.665 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.877 10.686 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -3.566 11.206 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.400 11.402 2.956 1.00 0.00 H new ATOM 503 N LYS A 346 -3.825 16.186 1.802 1.00 0.00 N ATOM 504 CA LYS A 346 -4.750 17.108 1.154 1.00 0.00 C ATOM 505 C LYS A 346 -4.775 16.894 -0.354 1.00 0.00 C ATOM 506 O LYS A 346 -5.813 17.055 -0.996 1.00 0.00 O ATOM 507 CB LYS A 346 -4.377 18.556 1.475 1.00 0.00 C ATOM 508 CG LYS A 346 -4.668 18.978 2.908 1.00 0.00 C ATOM 509 CD LYS A 346 -4.223 20.410 3.165 1.00 0.00 C ATOM 510 CE LYS A 346 -4.475 20.818 4.609 1.00 0.00 C ATOM 511 NZ LYS A 346 -4.019 22.208 4.881 1.00 0.00 N1+ ATOM 0 H LYS A 346 -3.011 16.634 2.223 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.748 16.907 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -3.315 18.697 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -4.918 19.216 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -5.736 18.886 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -4.156 18.307 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -3.162 20.509 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.757 21.084 2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -5.539 20.736 4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -3.957 20.129 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -4.208 22.447 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -2.998 22.281 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -4.531 22.869 4.262 1.00 0.00 H new ATOM 525 N ARG A 347 -3.626 16.533 -0.914 1.00 0.00 N ATOM 526 CA ARG A 347 -3.531 16.223 -2.335 1.00 0.00 C ATOM 527 C ARG A 347 -4.246 14.919 -2.664 1.00 0.00 C ATOM 528 O ARG A 347 -4.945 14.821 -3.673 1.00 0.00 O ATOM 529 CB ARG A 347 -2.091 16.207 -2.824 1.00 0.00 C ATOM 530 CG ARG A 347 -1.917 15.861 -4.295 1.00 0.00 C ATOM 531 CD ARG A 347 -2.555 16.825 -5.229 1.00 0.00 C ATOM 532 NE ARG A 347 -2.345 16.527 -6.637 1.00 0.00 N ATOM 533 CZ ARG A 347 -2.996 17.128 -7.652 1.00 0.00 C ATOM 534 NH1 ARG A 347 -3.924 18.031 -7.420 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -2.695 16.769 -8.887 1.00 0.00 N ATOM 0 H ARG A 347 -2.746 16.448 -0.405 1.00 0.00 H new ATOM 0 HA ARG A 347 -4.037 17.026 -2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -1.650 17.187 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -1.528 15.489 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -0.852 15.806 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -2.333 14.869 -4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -3.627 16.849 -5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -2.170 17.823 -5.020 1.00 0.00 H new ATOM 0 HE ARG A 347 -1.656 15.813 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -4.160 18.285 -6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 347 -4.408 18.477 -8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -1.986 16.054 -9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 347 -3.171 17.207 -9.676 1.00 0.00 H new ATOM 549 N LEU A 348 -4.068 13.920 -1.808 1.00 0.00 N ATOM 550 CA LEU A 348 -4.647 12.601 -2.036 1.00 0.00 C ATOM 551 C LEU A 348 -6.145 12.603 -1.761 1.00 0.00 C ATOM 552 O LEU A 348 -6.905 11.875 -2.399 1.00 0.00 O ATOM 553 CB LEU A 348 -3.945 11.555 -1.163 1.00 0.00 C ATOM 554 CG LEU A 348 -2.480 11.279 -1.525 1.00 0.00 C ATOM 555 CD1 LEU A 348 -1.851 10.357 -0.489 1.00 0.00 C ATOM 556 CD2 LEU A 348 -2.407 10.661 -2.913 1.00 0.00 C ATOM 0 H LEU A 348 -3.526 13.998 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 348 -4.498 12.343 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -3.990 11.882 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -4.501 10.620 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 348 -1.923 12.216 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -0.811 10.167 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -1.894 10.829 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -2.397 9.414 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -1.366 10.465 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -2.966 9.725 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -2.837 11.349 -3.641 1.00 0.00 H new ATOM 568 N LYS A 349 -6.565 13.427 -0.806 1.00 0.00 N ATOM 569 CA LYS A 349 -7.971 13.515 -0.433 1.00 0.00 C ATOM 570 C LYS A 349 -8.696 14.566 -1.263 1.00 0.00 C ATOM 571 O LYS A 349 -9.057 14.307 -2.377 1.00 0.00 O ATOM 572 CB LYS A 349 -8.113 13.832 1.057 1.00 0.00 C ATOM 573 CG LYS A 349 -9.549 13.844 1.564 1.00 0.00 C ATOM 574 CD LYS A 349 -9.604 14.090 3.064 1.00 0.00 C ATOM 575 CE LYS A 349 -11.038 14.106 3.571 1.00 0.00 C ATOM 576 NZ LYS A 349 -11.105 14.311 5.043 1.00 0.00 N1+ ATOM 0 H LYS A 349 -5.950 14.044 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 349 -8.429 12.546 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -7.545 13.097 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -7.663 14.805 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -10.113 14.619 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -10.027 12.892 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -9.042 13.313 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -9.124 15.040 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -11.592 14.899 3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -11.524 13.165 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -12.099 14.316 5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -10.599 13.540 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -10.664 15.221 5.287 1.00 0.00 H new TER 590 LYS A 349