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 K(o=0,f=-0.84) USER MOD Single : A 327 SER OG : rot 77:sc= 0.769 USER MOD Single : A 329 TYR OH : rot 31:sc= 0.81 USER MOD Single : A 335 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.23) USER MOD Single : A 336 HIS : no HD1:sc= 0.561 K(o=1.4,f=-5.4!) USER MOD Single : A 339 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 MET CE :methyl 164:sc= -0.123 (180deg=-0.875) 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 1.418 -1.224 -0.862 1.00 0.00 N ATOM 2 CA GLU A 315 1.494 -0.368 0.315 1.00 0.00 C ATOM 3 C GLU A 315 1.973 1.031 -0.051 1.00 0.00 C ATOM 4 O GLU A 315 3.111 1.402 0.235 1.00 0.00 O ATOM 5 CB GLU A 315 2.421 -0.983 1.366 1.00 0.00 C ATOM 6 CG GLU A 315 1.983 -2.351 1.869 1.00 0.00 C ATOM 7 CD GLU A 315 2.996 -2.937 2.811 1.00 0.00 C ATOM 8 OE1 GLU A 315 3.983 -2.291 3.069 1.00 0.00 O ATOM 9 OE2 GLU A 315 2.732 -3.981 3.361 1.00 0.00 O1- ATOM 0 HA GLU A 315 0.490 -0.286 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 315 3.422 -1.068 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 315 2.490 -0.302 2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 315 1.021 -2.264 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 315 1.839 -3.023 1.023 1.00 0.00 H new ATOM 16 N ASP A 316 1.097 1.804 -0.685 1.00 0.00 N ATOM 17 CA ASP A 316 1.414 3.179 -1.051 1.00 0.00 C ATOM 18 C ASP A 316 1.361 4.099 0.163 1.00 0.00 C ATOM 19 O ASP A 316 0.744 3.770 1.176 1.00 0.00 O ATOM 20 CB ASP A 316 0.452 3.681 -2.131 1.00 0.00 C ATOM 21 CG ASP A 316 0.690 3.083 -3.512 1.00 0.00 C ATOM 22 OD1 ASP A 316 1.703 2.449 -3.696 1.00 0.00 O ATOM 23 OD2 ASP A 316 -0.206 3.128 -4.320 1.00 0.00 O1- ATOM 0 H ASP A 316 0.162 1.501 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 316 2.430 3.193 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 316 -0.569 3.458 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 316 0.535 4.766 -2.199 1.00 0.00 H new ATOM 28 N VAL A 317 2.011 5.251 0.055 1.00 0.00 N ATOM 29 CA VAL A 317 2.072 6.205 1.156 1.00 0.00 C ATOM 30 C VAL A 317 0.685 6.732 1.504 1.00 0.00 C ATOM 31 O VAL A 317 0.386 6.999 2.667 1.00 0.00 O ATOM 32 CB VAL A 317 2.995 7.392 0.827 1.00 0.00 C ATOM 33 CG1 VAL A 317 2.374 8.266 -0.253 1.00 0.00 C ATOM 34 CG2 VAL A 317 3.277 8.211 2.077 1.00 0.00 C ATOM 0 H VAL A 317 2.505 5.548 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 317 2.480 5.669 2.013 1.00 0.00 H new ATOM 0 HB VAL A 317 3.940 6.999 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 317 3.040 9.100 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 317 2.222 7.675 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 317 1.415 8.649 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 317 3.931 9.046 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 317 2.339 8.593 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 317 3.763 7.582 2.822 1.00 0.00 H new ATOM 44 N TRP A 318 -0.157 6.882 0.487 1.00 0.00 N ATOM 45 CA TRP A 318 -1.537 7.305 0.692 1.00 0.00 C ATOM 46 C TRP A 318 -2.417 6.132 1.106 1.00 0.00 C ATOM 47 O TRP A 318 -3.457 6.317 1.737 1.00 0.00 O ATOM 48 CB TRP A 318 -2.091 7.951 -0.580 1.00 0.00 C ATOM 49 CG TRP A 318 -2.076 7.041 -1.770 1.00 0.00 C ATOM 50 CD1 TRP A 318 -1.112 6.970 -2.730 1.00 0.00 C ATOM 51 CD2 TRP A 318 -3.071 6.072 -2.125 1.00 0.00 C ATOM 52 NE1 TRP A 318 -1.442 6.019 -3.663 1.00 0.00 N ATOM 53 CE2 TRP A 318 -2.641 5.452 -3.312 1.00 0.00 C ATOM 54 CE3 TRP A 318 -4.283 5.669 -1.553 1.00 0.00 C ATOM 55 CZ2 TRP A 318 -3.376 4.457 -3.939 1.00 0.00 C ATOM 56 CZ3 TRP A 318 -5.019 4.670 -2.179 1.00 0.00 C ATOM 57 CH2 TRP A 318 -4.578 4.081 -3.337 1.00 0.00 C ATOM 0 H TRP A 318 0.093 6.717 -0.488 1.00 0.00 H new ATOM 0 HA TRP A 318 -1.545 8.039 1.498 1.00 0.00 H new ATOM 0 HB2 TRP A 318 -3.114 8.277 -0.396 1.00 0.00 H new ATOM 0 HB3 TRP A 318 -1.508 8.843 -0.808 1.00 0.00 H new ATOM 0 HD1 TRP A 318 -0.217 7.575 -2.753 1.00 0.00 H new ATOM 0 HE1 TRP A 318 -0.887 5.774 -4.483 1.00 0.00 H new ATOM 0 HE3 TRP A 318 -4.640 6.126 -0.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 318 -3.034 3.994 -4.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 318 -5.956 4.351 -1.746 1.00 0.00 H new ATOM 0 HH2 TRP A 318 -5.176 3.307 -3.794 1.00 0.00 H new ATOM 68 N GLU A 319 -1.992 4.924 0.748 1.00 0.00 N ATOM 69 CA GLU A 319 -2.736 3.718 1.087 1.00 0.00 C ATOM 70 C GLU A 319 -2.636 3.410 2.576 1.00 0.00 C ATOM 71 O GLU A 319 -3.615 3.003 3.202 1.00 0.00 O ATOM 72 CB GLU A 319 -2.232 2.529 0.268 1.00 0.00 C ATOM 73 CG GLU A 319 -2.979 1.227 0.522 1.00 0.00 C ATOM 74 CD GLU A 319 -2.407 0.101 -0.292 1.00 0.00 C ATOM 75 OE1 GLU A 319 -1.453 0.327 -0.997 1.00 0.00 O ATOM 76 OE2 GLU A 319 -2.850 -1.012 -0.124 1.00 0.00 O1- ATOM 0 H GLU A 319 -1.134 4.755 0.222 1.00 0.00 H new ATOM 0 HA GLU A 319 -3.784 3.894 0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 319 -2.307 2.776 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 319 -1.175 2.376 0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 319 -2.926 0.976 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 319 -4.033 1.356 0.277 1.00 0.00 H new ATOM 83 N ILE A 320 -1.448 3.605 3.137 1.00 0.00 N ATOM 84 CA ILE A 320 -1.195 3.267 4.532 1.00 0.00 C ATOM 85 C ILE A 320 -1.660 4.380 5.462 1.00 0.00 C ATOM 86 O ILE A 320 -2.355 4.130 6.446 1.00 0.00 O ATOM 87 CB ILE A 320 0.299 2.991 4.784 1.00 0.00 C ATOM 88 CG1 ILE A 320 0.788 1.845 3.894 1.00 0.00 C ATOM 89 CG2 ILE A 320 0.540 2.671 6.251 1.00 0.00 C ATOM 90 CD1 ILE A 320 0.047 0.545 4.111 1.00 0.00 C ATOM 0 H ILE A 320 -0.644 3.996 2.646 1.00 0.00 H new ATOM 0 HA ILE A 320 -1.763 2.361 4.744 1.00 0.00 H new ATOM 0 HB ILE A 320 0.865 3.888 4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 320 0.687 2.140 2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 320 1.850 1.682 4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 320 1.601 2.478 6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 320 0.228 3.516 6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 320 -0.035 1.788 6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 320 0.449 -0.219 3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 320 0.169 0.225 5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 320 -1.012 0.690 3.898 1.00 0.00 H new ATOM 102 N LEU A 321 -1.273 5.610 5.144 1.00 0.00 N ATOM 103 CA LEU A 321 -1.592 6.756 5.987 1.00 0.00 C ATOM 104 C LEU A 321 -3.093 6.858 6.231 1.00 0.00 C ATOM 105 O LEU A 321 -3.529 7.284 7.301 1.00 0.00 O ATOM 106 CB LEU A 321 -1.068 8.048 5.347 1.00 0.00 C ATOM 107 CG LEU A 321 0.456 8.216 5.371 1.00 0.00 C ATOM 108 CD1 LEU A 321 0.858 9.454 4.580 1.00 0.00 C ATOM 109 CD2 LEU A 321 0.934 8.319 6.812 1.00 0.00 C ATOM 0 H LEU A 321 -0.737 5.839 4.307 1.00 0.00 H new ATOM 0 HA LEU A 321 -1.102 6.614 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 321 -1.405 8.084 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 321 -1.519 8.898 5.859 1.00 0.00 H new ATOM 0 HG LEU A 321 0.924 7.348 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 321 1.942 9.564 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 321 0.526 9.350 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 321 0.394 10.335 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 321 2.017 8.438 6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 321 0.467 9.180 7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 321 0.661 7.412 7.352 1.00 0.00 H new ATOM 121 N ARG A 322 -3.878 6.463 5.236 1.00 0.00 N ATOM 122 CA ARG A 322 -5.330 6.572 5.316 1.00 0.00 C ATOM 123 C ARG A 322 -5.867 5.875 6.560 1.00 0.00 C ATOM 124 O ARG A 322 -6.729 6.408 7.258 1.00 0.00 O ATOM 125 CB ARG A 322 -6.014 6.064 4.055 1.00 0.00 C ATOM 126 CG ARG A 322 -7.530 6.180 4.059 1.00 0.00 C ATOM 127 CD ARG A 322 -8.180 5.767 2.789 1.00 0.00 C ATOM 128 NE ARG A 322 -9.632 5.827 2.806 1.00 0.00 N ATOM 129 CZ ARG A 322 -10.424 5.494 1.770 1.00 0.00 C ATOM 130 NH1 ARG A 322 -9.912 5.115 0.619 1.00 0.00 N1+ ATOM 131 NH2 ARG A 322 -11.733 5.582 1.930 1.00 0.00 N ATOM 0 H ARG A 322 -3.533 6.064 4.363 1.00 0.00 H new ATOM 0 HA ARG A 322 -5.567 7.633 5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 322 -5.624 6.616 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 322 -5.744 5.018 3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 322 -7.927 5.571 4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 322 -7.803 7.213 4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 322 -7.812 6.403 1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 322 -7.874 4.747 2.554 1.00 0.00 H new ATOM 0 HE ARG A 322 -10.083 6.144 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 322 -8.900 5.070 0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 322 -10.527 4.866 -0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 322 -12.118 5.896 2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 322 -12.358 5.336 1.162 1.00 0.00 H new ATOM 145 N GLN A 323 -5.350 4.682 6.833 1.00 0.00 N ATOM 146 CA GLN A 323 -5.906 3.827 7.874 1.00 0.00 C ATOM 147 C GLN A 323 -4.943 3.691 9.047 1.00 0.00 C ATOM 148 O GLN A 323 -5.289 3.123 10.084 1.00 0.00 O ATOM 149 CB GLN A 323 -6.233 2.440 7.313 1.00 0.00 C ATOM 150 CG GLN A 323 -7.316 2.441 6.247 1.00 0.00 C ATOM 151 CD GLN A 323 -7.594 1.052 5.704 1.00 0.00 C ATOM 152 OE1 GLN A 323 -7.169 0.048 6.282 1.00 0.00 O ATOM 153 NE2 GLN A 323 -8.305 0.987 4.584 1.00 0.00 N ATOM 0 H GLN A 323 -4.546 4.285 6.347 1.00 0.00 H new ATOM 0 HA GLN A 323 -6.824 4.295 8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -5.325 2.007 6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -6.546 1.793 8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -8.233 2.855 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -7.016 3.095 5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -8.636 1.843 4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -8.520 0.081 4.168 1.00 0.00 H new ATOM 162 N ALA A 324 -3.735 4.217 8.879 1.00 0.00 N ATOM 163 CA ALA A 324 -2.696 4.090 9.893 1.00 0.00 C ATOM 164 C ALA A 324 -2.946 5.039 11.059 1.00 0.00 C ATOM 165 O ALA A 324 -3.626 6.054 10.910 1.00 0.00 O ATOM 166 CB ALA A 324 -1.325 4.345 9.282 1.00 0.00 C ATOM 0 H ALA A 324 -3.451 4.736 8.048 1.00 0.00 H new ATOM 0 HA ALA A 324 -2.723 3.071 10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -0.560 4.247 10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -1.139 3.619 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -1.294 5.352 8.866 1.00 0.00 H new ATOM 172 N PRO A 325 -2.391 4.703 12.218 1.00 0.00 N ATOM 173 CA PRO A 325 -2.462 5.576 13.383 1.00 0.00 C ATOM 174 C PRO A 325 -1.768 6.905 13.118 1.00 0.00 C ATOM 175 O PRO A 325 -0.805 6.972 12.355 1.00 0.00 O ATOM 176 CB PRO A 325 -1.773 4.776 14.493 1.00 0.00 C ATOM 177 CG PRO A 325 -1.789 3.369 14.002 1.00 0.00 C ATOM 178 CD PRO A 325 -1.646 3.467 12.507 1.00 0.00 C ATOM 0 HA PRO A 325 -3.485 5.842 13.650 1.00 0.00 H new ATOM 0 HB2 PRO A 325 -0.755 5.126 14.661 1.00 0.00 H new ATOM 0 HB3 PRO A 325 -2.304 4.872 15.440 1.00 0.00 H new ATOM 0 HG2 PRO A 325 -0.974 2.791 14.438 1.00 0.00 H new ATOM 0 HG3 PRO A 325 -2.717 2.868 14.276 1.00 0.00 H new ATOM 0 HD2 PRO A 325 -0.603 3.536 12.199 1.00 0.00 H new ATOM 0 HD3 PRO A 325 -2.072 2.603 11.997 1.00 0.00 H new ATOM 186 N PRO A 326 -2.263 7.963 13.754 1.00 0.00 N ATOM 187 CA PRO A 326 -1.753 9.307 13.515 1.00 0.00 C ATOM 188 C PRO A 326 -0.337 9.465 14.056 1.00 0.00 C ATOM 189 O PRO A 326 0.398 10.364 13.648 1.00 0.00 O ATOM 190 CB PRO A 326 -2.750 10.219 14.238 1.00 0.00 C ATOM 191 CG PRO A 326 -3.377 9.342 15.266 1.00 0.00 C ATOM 192 CD PRO A 326 -3.452 7.977 14.635 1.00 0.00 C ATOM 0 HA PRO A 326 -1.677 9.546 12.454 1.00 0.00 H new ATOM 0 HB2 PRO A 326 -2.249 11.072 14.696 1.00 0.00 H new ATOM 0 HB3 PRO A 326 -3.494 10.619 13.549 1.00 0.00 H new ATOM 0 HG2 PRO A 326 -2.783 9.320 16.179 1.00 0.00 H new ATOM 0 HG3 PRO A 326 -4.368 9.704 15.539 1.00 0.00 H new ATOM 0 HD2 PRO A 326 -3.413 7.183 15.381 1.00 0.00 H new ATOM 0 HD3 PRO A 326 -4.375 7.841 14.072 1.00 0.00 H new ATOM 200 N SER A 327 0.040 8.583 14.976 1.00 0.00 N ATOM 201 CA SER A 327 1.363 8.633 15.588 1.00 0.00 C ATOM 202 C SER A 327 2.424 8.068 14.654 1.00 0.00 C ATOM 203 O SER A 327 3.620 8.274 14.860 1.00 0.00 O ATOM 204 CB SER A 327 1.358 7.877 16.902 1.00 0.00 C ATOM 205 OG SER A 327 1.145 6.504 16.719 1.00 0.00 O ATOM 0 H SER A 327 -0.552 7.825 15.314 1.00 0.00 H new ATOM 0 HA SER A 327 1.609 9.677 15.780 1.00 0.00 H new ATOM 0 HB2 SER A 327 2.309 8.031 17.412 1.00 0.00 H new ATOM 0 HB3 SER A 327 0.580 8.281 17.549 1.00 0.00 H new ATOM 0 HG SER A 327 1.970 6.085 16.395 1.00 0.00 H new ATOM 211 N GLU A 328 1.980 7.355 13.624 1.00 0.00 N ATOM 212 CA GLU A 328 2.891 6.643 12.736 1.00 0.00 C ATOM 213 C GLU A 328 3.126 7.423 11.449 1.00 0.00 C ATOM 214 O GLU A 328 3.966 7.051 10.630 1.00 0.00 O ATOM 215 CB GLU A 328 2.346 5.250 12.414 1.00 0.00 C ATOM 216 CG GLU A 328 2.067 4.386 13.636 1.00 0.00 C ATOM 217 CD GLU A 328 3.261 4.327 14.547 1.00 0.00 C ATOM 218 OE1 GLU A 328 4.317 3.963 14.089 1.00 0.00 O ATOM 219 OE2 GLU A 328 3.145 4.751 15.673 1.00 0.00 O1- ATOM 0 H GLU A 328 0.994 7.255 13.384 1.00 0.00 H new ATOM 0 HA GLU A 328 3.846 6.539 13.251 1.00 0.00 H new ATOM 0 HB2 GLU A 328 1.424 5.357 11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 328 3.061 4.733 11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 328 1.211 4.787 14.180 1.00 0.00 H new ATOM 0 HG3 GLU A 328 1.799 3.378 13.318 1.00 0.00 H new ATOM 226 N TYR A 329 2.379 8.508 11.275 1.00 0.00 N ATOM 227 CA TYR A 329 2.346 9.221 10.004 1.00 0.00 C ATOM 228 C TYR A 329 3.725 9.755 9.636 1.00 0.00 C ATOM 229 O TYR A 329 4.101 9.775 8.465 1.00 0.00 O ATOM 230 CB TYR A 329 1.335 10.369 10.060 1.00 0.00 C ATOM 231 CG TYR A 329 -0.108 9.918 10.020 1.00 0.00 C ATOM 232 CD1 TYR A 329 -0.433 8.587 9.809 1.00 0.00 C ATOM 233 CD2 TYR A 329 -1.141 10.826 10.194 1.00 0.00 C ATOM 234 CE1 TYR A 329 -1.749 8.170 9.771 1.00 0.00 C ATOM 235 CE2 TYR A 329 -2.461 10.421 10.159 1.00 0.00 C ATOM 236 CZ TYR A 329 -2.761 9.091 9.947 1.00 0.00 C ATOM 237 OH TYR A 329 -4.074 8.682 9.911 1.00 0.00 O ATOM 0 H TYR A 329 1.787 8.913 12.000 1.00 0.00 H new ATOM 0 HA TYR A 329 2.037 8.515 9.233 1.00 0.00 H new ATOM 0 HB2 TYR A 329 1.501 10.942 10.972 1.00 0.00 H new ATOM 0 HB3 TYR A 329 1.518 11.042 9.223 1.00 0.00 H new ATOM 0 HD1 TYR A 329 0.357 7.863 9.672 1.00 0.00 H new ATOM 0 HD2 TYR A 329 -0.910 11.868 10.360 1.00 0.00 H new ATOM 0 HE1 TYR A 329 -1.985 7.129 9.605 1.00 0.00 H new ATOM 0 HE2 TYR A 329 -3.254 11.141 10.297 1.00 0.00 H new ATOM 0 HH TYR A 329 -4.140 7.763 10.246 1.00 0.00 H new ATOM 247 N GLU A 330 4.473 10.188 10.645 1.00 0.00 N ATOM 248 CA GLU A 330 5.825 10.693 10.434 1.00 0.00 C ATOM 249 C GLU A 330 6.732 9.613 9.857 1.00 0.00 C ATOM 250 O GLU A 330 7.426 9.837 8.866 1.00 0.00 O ATOM 251 CB GLU A 330 6.409 11.224 11.745 1.00 0.00 C ATOM 252 CG GLU A 330 7.812 11.801 11.620 1.00 0.00 C ATOM 253 CD GLU A 330 8.311 12.318 12.940 1.00 0.00 C ATOM 254 OE1 GLU A 330 7.583 12.238 13.901 1.00 0.00 O ATOM 255 OE2 GLU A 330 9.458 12.689 13.016 1.00 0.00 O1- ATOM 0 H GLU A 330 4.166 10.199 11.618 1.00 0.00 H new ATOM 0 HA GLU A 330 5.767 11.510 9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 330 5.746 11.995 12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 330 6.426 10.415 12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 330 8.491 11.034 11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 330 7.811 12.608 10.888 1.00 0.00 H new ATOM 262 N ARG A 331 6.722 8.442 10.484 1.00 0.00 N ATOM 263 CA ARG A 331 7.595 7.348 10.077 1.00 0.00 C ATOM 264 C ARG A 331 7.161 6.765 8.738 1.00 0.00 C ATOM 265 O ARG A 331 7.993 6.349 7.932 1.00 0.00 O ATOM 266 CB ARG A 331 7.700 6.269 11.145 1.00 0.00 C ATOM 267 CG ARG A 331 8.458 6.680 12.397 1.00 0.00 C ATOM 268 CD ARG A 331 8.468 5.654 13.471 1.00 0.00 C ATOM 269 NE ARG A 331 9.172 6.053 14.679 1.00 0.00 N ATOM 270 CZ ARG A 331 9.222 5.325 15.812 1.00 0.00 C ATOM 271 NH1 ARG A 331 8.580 4.183 15.912 1.00 0.00 N1+ ATOM 272 NH2 ARG A 331 9.913 5.804 16.832 1.00 0.00 N ATOM 0 H ARG A 331 6.118 8.226 11.277 1.00 0.00 H new ATOM 0 HA ARG A 331 8.594 7.766 9.952 1.00 0.00 H new ATOM 0 HB2 ARG A 331 6.694 5.962 11.431 1.00 0.00 H new ATOM 0 HB3 ARG A 331 8.188 5.396 10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 331 9.487 6.913 12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 331 8.017 7.596 12.790 1.00 0.00 H new ATOM 0 HD2 ARG A 331 7.438 5.407 13.730 1.00 0.00 H new ATOM 0 HD3 ARG A 331 8.926 4.744 13.083 1.00 0.00 H new ATOM 0 HE ARG A 331 9.663 6.947 14.668 1.00 0.00 H new ATOM 0 HH11 ARG A 331 8.033 3.835 15.125 1.00 0.00 H new ATOM 0 HH12 ARG A 331 8.629 3.645 16.777 1.00 0.00 H new ATOM 0 HH21 ARG A 331 10.390 6.702 16.748 1.00 0.00 H new ATOM 0 HH22 ARG A 331 9.969 5.276 17.703 1.00 0.00 H new ATOM 286 N ILE A 332 5.853 6.740 8.505 1.00 0.00 N ATOM 287 CA ILE A 332 5.303 6.169 7.282 1.00 0.00 C ATOM 288 C ILE A 332 5.674 7.009 6.067 1.00 0.00 C ATOM 289 O ILE A 332 6.190 6.492 5.076 1.00 0.00 O ATOM 290 CB ILE A 332 3.770 6.041 7.357 1.00 0.00 C ATOM 291 CG1 ILE A 332 3.374 4.988 8.397 1.00 0.00 C ATOM 292 CG2 ILE A 332 3.199 5.688 5.993 1.00 0.00 C ATOM 293 CD1 ILE A 332 1.915 5.036 8.787 1.00 0.00 C ATOM 0 H ILE A 332 5.153 7.109 9.149 1.00 0.00 H new ATOM 0 HA ILE A 332 5.736 5.174 7.178 1.00 0.00 H new ATOM 0 HB ILE A 332 3.355 7.001 7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 332 3.603 3.998 8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 332 3.984 5.125 9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 332 2.115 5.601 6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 332 3.455 6.470 5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 332 3.618 4.739 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 332 1.710 4.262 9.526 1.00 0.00 H new ATOM 0 HD12 ILE A 332 1.684 6.013 9.211 1.00 0.00 H new ATOM 0 HD13 ILE A 332 1.297 4.868 7.905 1.00 0.00 H new ATOM 305 N ALA A 333 5.408 8.309 6.148 1.00 0.00 N ATOM 306 CA ALA A 333 5.700 9.221 5.049 1.00 0.00 C ATOM 307 C ALA A 333 7.171 9.162 4.660 1.00 0.00 C ATOM 308 O ALA A 333 7.507 9.063 3.480 1.00 0.00 O ATOM 309 CB ALA A 333 5.302 10.642 5.421 1.00 0.00 C ATOM 0 H ALA A 333 4.990 8.754 6.965 1.00 0.00 H new ATOM 0 HA ALA A 333 5.114 8.908 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 333 5.526 11.312 4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 333 4.234 10.676 5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 333 5.860 10.957 6.302 1.00 0.00 H new ATOM 315 N PHE A 334 8.044 9.224 5.659 1.00 0.00 N ATOM 316 CA PHE A 334 9.483 9.244 5.419 1.00 0.00 C ATOM 317 C PHE A 334 9.962 7.922 4.832 1.00 0.00 C ATOM 318 O PHE A 334 10.933 7.883 4.077 1.00 0.00 O ATOM 319 CB PHE A 334 10.237 9.549 6.714 1.00 0.00 C ATOM 320 CG PHE A 334 9.973 10.924 7.260 1.00 0.00 C ATOM 321 CD1 PHE A 334 9.328 11.880 6.489 1.00 0.00 C ATOM 322 CD2 PHE A 334 10.368 11.264 8.545 1.00 0.00 C ATOM 323 CE1 PHE A 334 9.084 13.145 6.989 1.00 0.00 C ATOM 324 CE2 PHE A 334 10.125 12.527 9.048 1.00 0.00 C ATOM 325 CZ PHE A 334 9.482 13.468 8.269 1.00 0.00 C ATOM 0 H PHE A 334 7.781 9.261 6.644 1.00 0.00 H new ATOM 0 HA PHE A 334 9.690 10.032 4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 334 9.961 8.810 7.467 1.00 0.00 H new ATOM 0 HB3 PHE A 334 11.307 9.438 6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 334 9.013 11.633 5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 334 10.872 10.533 9.160 1.00 0.00 H new ATOM 0 HE1 PHE A 334 8.582 13.880 6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 334 10.438 12.778 10.051 1.00 0.00 H new ATOM 0 HZ PHE A 334 9.291 14.456 8.662 1.00 0.00 H new ATOM 335 N GLN A 335 9.275 6.841 5.185 1.00 0.00 N ATOM 336 CA GLN A 335 9.580 5.526 4.634 1.00 0.00 C ATOM 337 C GLN A 335 9.359 5.495 3.127 1.00 0.00 C ATOM 338 O GLN A 335 10.028 4.754 2.407 1.00 0.00 O ATOM 339 CB GLN A 335 8.721 4.451 5.305 1.00 0.00 C ATOM 340 CG GLN A 335 9.069 3.031 4.894 1.00 0.00 C ATOM 341 CD GLN A 335 10.485 2.647 5.280 1.00 0.00 C ATOM 342 OE1 GLN A 335 10.933 2.915 6.398 1.00 0.00 O ATOM 343 NE2 GLN A 335 11.198 2.018 4.353 1.00 0.00 N ATOM 0 H GLN A 335 8.502 6.850 5.851 1.00 0.00 H new ATOM 0 HA GLN A 335 10.632 5.320 4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.826 4.541 6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 335 7.674 4.639 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 335 8.368 2.339 5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 335 8.949 2.928 3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 335 10.786 1.817 3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 335 12.158 1.736 4.552 1.00 0.00 H new ATOM 352 N HIS A 336 8.416 6.304 2.656 1.00 0.00 N ATOM 353 CA HIS A 336 8.093 6.357 1.236 1.00 0.00 C ATOM 354 C HIS A 336 8.821 7.505 0.547 1.00 0.00 C ATOM 355 O HIS A 336 8.636 7.742 -0.646 1.00 0.00 O ATOM 356 CB HIS A 336 6.580 6.499 1.030 1.00 0.00 C ATOM 357 CG HIS A 336 5.805 5.277 1.412 1.00 0.00 C ATOM 358 ND1 HIS A 336 5.390 5.034 2.705 1.00 0.00 N ATOM 359 CD2 HIS A 336 5.368 4.229 0.674 1.00 0.00 C ATOM 360 CE1 HIS A 336 4.731 3.889 2.745 1.00 0.00 C ATOM 361 NE2 HIS A 336 4.704 3.381 1.526 1.00 0.00 N ATOM 0 H HIS A 336 7.862 6.932 3.238 1.00 0.00 H new ATOM 0 HA HIS A 336 8.425 5.421 0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 336 6.220 7.345 1.616 1.00 0.00 H new ATOM 0 HB3 HIS A 336 6.385 6.730 -0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 336 5.514 4.087 -0.387 1.00 0.00 H new ATOM 0 HE1 HIS A 336 4.290 3.444 3.625 1.00 0.00 H new ATOM 0 HE2 HIS A 336 4.262 2.501 1.260 1.00 0.00 H new ATOM 368 N GLY A 337 9.650 8.212 1.306 1.00 0.00 N ATOM 369 CA GLY A 337 10.405 9.339 0.771 1.00 0.00 C ATOM 370 C GLY A 337 9.514 10.559 0.581 1.00 0.00 C ATOM 371 O GLY A 337 9.801 11.427 -0.245 1.00 0.00 O ATOM 0 H GLY A 337 9.817 8.025 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 337 11.224 9.585 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 337 10.852 9.060 -0.183 1.00 0.00 H new ATOM 375 N VAL A 338 8.430 10.619 1.347 1.00 0.00 N ATOM 376 CA VAL A 338 7.494 11.734 1.264 1.00 0.00 C ATOM 377 C VAL A 338 7.689 12.705 2.422 1.00 0.00 C ATOM 378 O VAL A 338 7.611 12.319 3.588 1.00 0.00 O ATOM 379 CB VAL A 338 6.034 11.246 1.256 1.00 0.00 C ATOM 380 CG1 VAL A 338 5.077 12.428 1.220 1.00 0.00 C ATOM 381 CG2 VAL A 338 5.785 10.326 0.070 1.00 0.00 C ATOM 0 H VAL A 338 8.178 9.908 2.033 1.00 0.00 H new ATOM 0 HA VAL A 338 7.700 12.248 0.325 1.00 0.00 H new ATOM 0 HB VAL A 338 5.855 10.684 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 338 4.050 12.064 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 338 5.236 13.052 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 338 5.258 13.016 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 338 4.748 9.991 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 338 5.982 10.865 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 338 6.446 9.462 0.135 1.00 0.00 H new ATOM 391 N THR A 339 7.941 13.967 2.092 1.00 0.00 N ATOM 392 CA THR A 339 8.169 14.992 3.104 1.00 0.00 C ATOM 393 C THR A 339 6.921 15.839 3.320 1.00 0.00 C ATOM 394 O THR A 339 6.741 16.438 4.381 1.00 0.00 O ATOM 395 CB THR A 339 9.342 15.913 2.723 1.00 0.00 C ATOM 396 OG1 THR A 339 9.047 16.578 1.488 1.00 0.00 O ATOM 397 CG2 THR A 339 10.623 15.108 2.569 1.00 0.00 C ATOM 0 H THR A 339 7.993 14.305 1.131 1.00 0.00 H new ATOM 0 HA THR A 339 8.416 14.470 4.029 1.00 0.00 H new ATOM 0 HB THR A 339 9.481 16.648 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 339 9.793 17.166 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 339 11.442 15.775 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 339 10.855 14.610 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 339 10.491 14.361 1.786 1.00 0.00 H new ATOM 405 N ASP A 340 6.061 15.885 2.309 1.00 0.00 N ATOM 406 CA ASP A 340 4.819 16.644 2.393 1.00 0.00 C ATOM 407 C ASP A 340 3.717 15.827 3.056 1.00 0.00 C ATOM 408 O ASP A 340 2.770 15.397 2.399 1.00 0.00 O ATOM 409 CB ASP A 340 4.372 17.098 1.001 1.00 0.00 C ATOM 410 CG ASP A 340 3.199 18.069 1.003 1.00 0.00 C ATOM 411 OD1 ASP A 340 2.803 18.491 2.064 1.00 0.00 O ATOM 412 OD2 ASP A 340 2.809 18.500 -0.055 1.00 0.00 O1- ATOM 0 H ASP A 340 6.201 15.405 1.420 1.00 0.00 H new ATOM 0 HA ASP A 340 5.008 17.524 3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.216 17.568 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 340 4.100 16.220 0.416 1.00 0.00 H new ATOM 417 N LEU A 341 3.848 15.615 4.361 1.00 0.00 N ATOM 418 CA LEU A 341 2.858 14.858 5.118 1.00 0.00 C ATOM 419 C LEU A 341 1.549 15.627 5.237 1.00 0.00 C ATOM 420 O LEU A 341 0.466 15.050 5.138 1.00 0.00 O ATOM 421 CB LEU A 341 3.403 14.512 6.508 1.00 0.00 C ATOM 422 CG LEU A 341 2.439 13.738 7.415 1.00 0.00 C ATOM 423 CD1 LEU A 341 2.052 12.419 6.760 1.00 0.00 C ATOM 424 CD2 LEU A 341 3.094 13.496 8.766 1.00 0.00 C ATOM 0 H LEU A 341 4.631 15.957 4.917 1.00 0.00 H new ATOM 0 HA LEU A 341 2.655 13.933 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 341 4.313 13.925 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 341 3.685 15.437 7.010 1.00 0.00 H new ATOM 0 HG LEU A 341 1.532 14.324 7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 341 1.367 11.876 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 341 1.565 12.616 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 341 2.947 11.819 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 341 2.408 12.946 9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 341 4.007 12.916 8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 341 3.338 14.452 9.229 1.00 0.00 H new ATOM 436 N ARG A 342 1.655 16.934 5.452 1.00 0.00 N ATOM 437 CA ARG A 342 0.479 17.786 5.592 1.00 0.00 C ATOM 438 C ARG A 342 -0.367 17.767 4.325 1.00 0.00 C ATOM 439 O ARG A 342 -1.591 17.652 4.386 1.00 0.00 O ATOM 440 CB ARG A 342 0.844 19.206 5.998 1.00 0.00 C ATOM 441 CG ARG A 342 1.334 19.356 7.429 1.00 0.00 C ATOM 442 CD ARG A 342 1.719 20.742 7.802 1.00 0.00 C ATOM 443 NE ARG A 342 2.195 20.888 9.168 1.00 0.00 N ATOM 444 CZ ARG A 342 2.619 22.045 9.711 1.00 0.00 C ATOM 445 NH1 ARG A 342 2.666 23.149 9.000 1.00 0.00 N1+ ATOM 446 NH2 ARG A 342 3.013 22.036 10.973 1.00 0.00 N ATOM 0 H ARG A 342 2.544 17.427 5.533 1.00 0.00 H new ATOM 0 HA ARG A 342 -0.122 17.373 6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 342 1.618 19.574 5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 342 -0.029 19.844 5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 342 0.551 19.014 8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 342 2.192 18.701 7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 342 2.497 21.085 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 342 0.859 21.396 7.658 1.00 0.00 H new ATOM 0 HE ARG A 342 2.209 20.055 9.757 1.00 0.00 H new ATOM 0 HH11 ARG A 342 2.379 23.138 8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 342 2.990 24.017 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 342 2.991 21.168 11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 342 3.339 22.897 11.412 1.00 0.00 H new ATOM 460 N GLY A 343 0.293 17.881 3.177 1.00 0.00 N ATOM 461 CA GLY A 343 -0.395 17.851 1.892 1.00 0.00 C ATOM 462 C GLY A 343 -0.979 16.472 1.612 1.00 0.00 C ATOM 463 O GLY A 343 -2.083 16.351 1.081 1.00 0.00 O ATOM 0 H GLY A 343 1.304 17.995 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 343 -1.192 18.594 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 343 0.300 18.123 1.098 1.00 0.00 H new ATOM 467 N MET A 344 -0.231 15.434 1.973 1.00 0.00 N ATOM 468 CA MET A 344 -0.660 14.061 1.735 1.00 0.00 C ATOM 469 C MET A 344 -1.907 13.726 2.543 1.00 0.00 C ATOM 470 O MET A 344 -2.838 13.100 2.036 1.00 0.00 O ATOM 471 CB MET A 344 0.468 13.089 2.075 1.00 0.00 C ATOM 472 CG MET A 344 0.158 11.632 1.763 1.00 0.00 C ATOM 473 SD MET A 344 -0.103 11.337 0.003 1.00 0.00 S ATOM 474 CE MET A 344 1.513 11.741 -0.651 1.00 0.00 C ATOM 0 H MET A 344 0.676 15.518 2.432 1.00 0.00 H new ATOM 0 HA MET A 344 -0.907 13.963 0.678 1.00 0.00 H new ATOM 0 HB2 MET A 344 1.362 13.383 1.526 1.00 0.00 H new ATOM 0 HB3 MET A 344 0.701 13.179 3.136 1.00 0.00 H new ATOM 0 HG2 MET A 344 0.979 11.007 2.114 1.00 0.00 H new ATOM 0 HG3 MET A 344 -0.732 11.328 2.314 1.00 0.00 H new ATOM 0 HE1 MET A 344 1.605 11.346 -1.663 1.00 0.00 H new ATOM 0 HE2 MET A 344 1.637 12.824 -0.671 1.00 0.00 H new ATOM 0 HE3 MET A 344 2.283 11.299 -0.018 1.00 0.00 H new ATOM 484 N LEU A 345 -1.919 14.145 3.804 1.00 0.00 N ATOM 485 CA LEU A 345 -3.038 13.862 4.695 1.00 0.00 C ATOM 486 C LEU A 345 -4.255 14.704 4.336 1.00 0.00 C ATOM 487 O LEU A 345 -5.394 14.261 4.488 1.00 0.00 O ATOM 488 CB LEU A 345 -2.630 14.108 6.154 1.00 0.00 C ATOM 489 CG LEU A 345 -1.553 13.161 6.698 1.00 0.00 C ATOM 490 CD1 LEU A 345 -1.120 13.608 8.089 1.00 0.00 C ATOM 491 CD2 LEU A 345 -2.095 11.741 6.734 1.00 0.00 C ATOM 0 H LEU A 345 -1.165 14.682 4.232 1.00 0.00 H new ATOM 0 HA LEU A 345 -3.309 12.813 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 345 -2.271 15.133 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 345 -3.517 14.023 6.782 1.00 0.00 H new ATOM 0 HG LEU A 345 -0.682 13.187 6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 345 -0.355 12.930 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 345 -0.715 14.619 8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 345 -1.980 13.596 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 345 -1.329 11.069 7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 345 -2.972 11.702 7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 345 -2.374 11.432 5.726 1.00 0.00 H new ATOM 503 N LYS A 346 -4.008 15.919 3.860 1.00 0.00 N ATOM 504 CA LYS A 346 -5.077 16.786 3.378 1.00 0.00 C ATOM 505 C LYS A 346 -5.765 16.185 2.158 1.00 0.00 C ATOM 506 O LYS A 346 -6.987 16.253 2.025 1.00 0.00 O ATOM 507 CB LYS A 346 -4.532 18.175 3.043 1.00 0.00 C ATOM 508 CG LYS A 346 -5.588 19.171 2.583 1.00 0.00 C ATOM 509 CD LYS A 346 -4.993 20.556 2.384 1.00 0.00 C ATOM 510 CE LYS A 346 -6.041 21.546 1.898 1.00 0.00 C ATOM 511 NZ LYS A 346 -5.469 22.903 1.683 1.00 0.00 N1+ ATOM 0 H LYS A 346 -3.075 16.327 3.797 1.00 0.00 H new ATOM 0 HA LYS A 346 -5.815 16.879 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -4.030 18.577 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -3.778 18.077 2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -6.033 18.827 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -6.390 19.220 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -4.565 20.908 3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -4.178 20.503 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -6.477 21.185 0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -6.850 21.605 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -6.216 23.546 1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -5.076 23.260 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -4.715 22.853 0.969 1.00 0.00 H new ATOM 525 N ARG A 347 -4.972 15.595 1.269 1.00 0.00 N ATOM 526 CA ARG A 347 -5.508 14.929 0.088 1.00 0.00 C ATOM 527 C ARG A 347 -6.318 13.697 0.470 1.00 0.00 C ATOM 528 O ARG A 347 -7.320 13.378 -0.170 1.00 0.00 O ATOM 529 CB ARG A 347 -4.421 14.590 -0.922 1.00 0.00 C ATOM 530 CG ARG A 347 -3.849 15.782 -1.672 1.00 0.00 C ATOM 531 CD ARG A 347 -2.724 15.451 -2.584 1.00 0.00 C ATOM 532 NE ARG A 347 -2.189 16.586 -3.317 1.00 0.00 N ATOM 533 CZ ARG A 347 -1.122 16.531 -4.139 1.00 0.00 C ATOM 534 NH1 ARG A 347 -0.453 15.413 -4.306 1.00 0.00 N1+ ATOM 535 NH2 ARG A 347 -0.753 17.641 -4.755 1.00 0.00 N ATOM 0 H ARG A 347 -3.955 15.565 1.345 1.00 0.00 H new ATOM 0 HA ARG A 347 -6.182 15.634 -0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 347 -3.608 14.082 -0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 347 -4.826 13.884 -1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 347 -4.646 16.247 -2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 347 -3.508 16.522 -0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 347 -1.921 15.000 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 347 -3.061 14.699 -3.298 1.00 0.00 H new ATOM 0 HE ARG A 347 -2.653 17.487 -3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 347 -0.739 14.569 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 347 0.352 15.389 -4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 347 -1.272 18.506 -4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 347 0.050 17.633 -5.384 1.00 0.00 H new ATOM 549 N LEU A 348 -5.878 13.007 1.518 1.00 0.00 N ATOM 550 CA LEU A 348 -6.613 11.864 2.045 1.00 0.00 C ATOM 551 C LEU A 348 -7.916 12.301 2.700 1.00 0.00 C ATOM 552 O LEU A 348 -8.941 11.632 2.573 1.00 0.00 O ATOM 553 CB LEU A 348 -5.744 11.092 3.046 1.00 0.00 C ATOM 554 CG LEU A 348 -4.587 10.297 2.429 1.00 0.00 C ATOM 555 CD1 LEU A 348 -3.680 9.758 3.527 1.00 0.00 C ATOM 556 CD2 LEU A 348 -5.143 9.161 1.583 1.00 0.00 C ATOM 0 H LEU A 348 -5.015 13.220 2.019 1.00 0.00 H new ATOM 0 HA LEU A 348 -6.861 11.207 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 348 -5.334 11.799 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 348 -6.381 10.404 3.601 1.00 0.00 H new ATOM 0 HG LEU A 348 -3.996 10.953 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 348 -2.861 9.195 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 348 -3.275 10.589 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 348 -4.253 9.104 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 348 -4.320 8.597 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 348 -5.743 8.501 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 348 -5.766 9.571 0.788 1.00 0.00 H new ATOM 568 N LYS A 349 -7.870 13.427 3.404 1.00 0.00 N ATOM 569 CA LYS A 349 -9.053 13.966 4.065 1.00 0.00 C ATOM 570 C LYS A 349 -10.141 14.307 3.057 1.00 0.00 C ATOM 571 O LYS A 349 -10.844 13.441 2.615 1.00 0.00 O ATOM 572 CB LYS A 349 -8.689 15.204 4.887 1.00 0.00 C ATOM 573 CG LYS A 349 -9.844 15.791 5.686 1.00 0.00 C ATOM 574 CD LYS A 349 -9.387 16.960 6.546 1.00 0.00 C ATOM 575 CE LYS A 349 -10.543 17.551 7.338 1.00 0.00 C ATOM 576 NZ LYS A 349 -10.107 18.689 8.192 1.00 0.00 N1+ ATOM 0 H LYS A 349 -7.025 13.985 3.532 1.00 0.00 H new ATOM 0 HA LYS A 349 -9.440 13.198 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 349 -7.883 14.945 5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 349 -8.302 15.970 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 349 -10.628 16.123 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 349 -10.279 15.019 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 349 -8.607 16.627 7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 349 -8.947 17.730 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 349 -11.318 17.889 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 349 -10.987 16.777 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 -10.924 19.063 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 -9.385 18.361 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 -9.706 19.439 7.593 1.00 0.00 H new TER 590 LYS A 349