USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 293 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 1.13 K(o=1.1,f=-0.49) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 30:sc= 0.0824 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.19) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.938) USER MOD Single : A 28 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00811 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.272 -9.875 -6.094 1.00 0.00 N ATOM 2 CA GLY A 1 10.438 -9.141 -5.568 1.00 0.00 C ATOM 3 C GLY A 1 9.999 -7.898 -4.804 1.00 0.00 C ATOM 4 O GLY A 1 9.558 -6.916 -5.413 1.00 0.00 O ATOM 0 H1 GLY A 1 9.596 -10.717 -6.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.661 -10.167 -5.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.736 -9.259 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.016 -9.791 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.094 -8.855 -6.390 1.00 0.00 H new ATOM 10 N SER A 2 10.140 -7.920 -3.475 1.00 0.00 N ATOM 11 CA SER A 2 9.732 -6.847 -2.567 1.00 0.00 C ATOM 12 C SER A 2 10.745 -6.748 -1.417 1.00 0.00 C ATOM 13 O SER A 2 11.536 -7.671 -1.193 1.00 0.00 O ATOM 14 CB SER A 2 8.324 -7.141 -2.019 1.00 0.00 C ATOM 15 OG SER A 2 7.383 -7.369 -3.060 1.00 0.00 O ATOM 0 H SER A 2 10.556 -8.713 -2.987 1.00 0.00 H new ATOM 0 HA SER A 2 9.706 -5.898 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.364 -8.015 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.991 -6.303 -1.407 1.00 0.00 H new ATOM 0 HG SER A 2 6.503 -7.553 -2.671 1.00 0.00 H new ATOM 21 N GLY A 3 10.714 -5.642 -0.672 1.00 0.00 N ATOM 22 CA GLY A 3 11.577 -5.393 0.473 1.00 0.00 C ATOM 23 C GLY A 3 11.226 -4.055 1.117 1.00 0.00 C ATOM 24 O GLY A 3 10.339 -3.342 0.637 1.00 0.00 O ATOM 0 H GLY A 3 10.067 -4.875 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.467 -6.196 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.620 -5.390 0.157 1.00 0.00 H new ATOM 28 N GLN A 4 11.915 -3.716 2.211 1.00 0.00 N ATOM 29 CA GLN A 4 11.683 -2.476 2.954 1.00 0.00 C ATOM 30 C GLN A 4 12.122 -1.245 2.143 1.00 0.00 C ATOM 31 O GLN A 4 11.582 -0.154 2.353 1.00 0.00 O ATOM 32 CB GLN A 4 12.432 -2.556 4.300 1.00 0.00 C ATOM 33 CG GLN A 4 11.911 -1.588 5.378 1.00 0.00 C ATOM 34 CD GLN A 4 10.496 -1.907 5.884 1.00 0.00 C ATOM 35 OE1 GLN A 4 9.956 -2.994 5.690 1.00 0.00 O ATOM 36 NE2 GLN A 4 9.856 -0.964 6.553 1.00 0.00 N ATOM 0 H GLN A 4 12.653 -4.298 2.607 1.00 0.00 H new ATOM 0 HA GLN A 4 10.615 -2.363 3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.362 -3.575 4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.489 -2.352 4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.598 -1.601 6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.920 -0.575 4.975 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.302 -0.061 6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.916 -1.139 6.907 1.00 0.00 H new ATOM 45 N VAL A 5 13.105 -1.410 1.248 1.00 0.00 N ATOM 46 CA VAL A 5 13.632 -0.345 0.396 1.00 0.00 C ATOM 47 C VAL A 5 12.493 0.156 -0.497 1.00 0.00 C ATOM 48 O VAL A 5 11.856 -0.630 -1.205 1.00 0.00 O ATOM 49 CB VAL A 5 14.843 -0.832 -0.438 1.00 0.00 C ATOM 50 CG1 VAL A 5 15.573 0.363 -1.072 1.00 0.00 C ATOM 51 CG2 VAL A 5 15.873 -1.641 0.372 1.00 0.00 C ATOM 0 H VAL A 5 13.563 -2.308 1.096 1.00 0.00 H new ATOM 0 HA VAL A 5 14.001 0.474 1.013 1.00 0.00 H new ATOM 0 HB VAL A 5 14.422 -1.491 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.421 0.004 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.887 0.904 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.929 1.030 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.691 -1.946 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.265 -1.024 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.393 -2.526 0.790 1.00 0.00 H new ATOM 61 N ARG A 6 12.230 1.464 -0.450 1.00 0.00 N ATOM 62 CA ARG A 6 11.148 2.125 -1.174 1.00 0.00 C ATOM 63 C ARG A 6 11.457 3.619 -1.260 1.00 0.00 C ATOM 64 O ARG A 6 12.488 4.059 -0.747 1.00 0.00 O ATOM 65 CB ARG A 6 9.808 1.831 -0.464 1.00 0.00 C ATOM 66 CG ARG A 6 9.690 2.414 0.956 1.00 0.00 C ATOM 67 CD ARG A 6 8.592 1.669 1.726 1.00 0.00 C ATOM 68 NE ARG A 6 8.268 2.317 3.007 1.00 0.00 N ATOM 69 CZ ARG A 6 8.952 2.220 4.155 1.00 0.00 C ATOM 70 NH1 ARG A 6 10.101 1.556 4.233 1.00 0.00 N ATOM 71 NH2 ARG A 6 8.466 2.800 5.244 1.00 0.00 N ATOM 0 H ARG A 6 12.784 2.111 0.112 1.00 0.00 H new ATOM 0 HA ARG A 6 11.062 1.746 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.995 2.227 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.670 0.751 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.642 2.322 1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.456 3.477 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.693 1.615 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.913 0.644 1.911 1.00 0.00 H new ATOM 0 HE ARG A 6 7.433 2.903 3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.485 1.102 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.598 1.500 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.584 3.310 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.974 2.736 6.126 1.00 0.00 H new ATOM 85 N THR A 7 10.556 4.391 -1.857 1.00 0.00 N ATOM 86 CA THR A 7 10.608 5.849 -1.871 1.00 0.00 C ATOM 87 C THR A 7 9.378 6.353 -1.114 1.00 0.00 C ATOM 88 O THR A 7 8.364 5.656 -1.002 1.00 0.00 O ATOM 89 CB THR A 7 10.689 6.353 -3.328 1.00 0.00 C ATOM 90 OG1 THR A 7 11.682 5.638 -4.045 1.00 0.00 O ATOM 91 CG2 THR A 7 11.032 7.844 -3.438 1.00 0.00 C ATOM 0 H THR A 7 9.751 4.013 -2.356 1.00 0.00 H new ATOM 0 HA THR A 7 11.498 6.237 -1.375 1.00 0.00 H new ATOM 0 HB THR A 7 9.695 6.192 -3.746 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.720 5.967 -4.967 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.073 8.131 -4.489 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.267 8.432 -2.930 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.000 8.030 -2.973 1.00 0.00 H new ATOM 99 N ILE A 8 9.496 7.560 -0.571 1.00 0.00 N ATOM 100 CA ILE A 8 8.531 8.165 0.342 1.00 0.00 C ATOM 101 C ILE A 8 8.021 9.479 -0.267 1.00 0.00 C ATOM 102 O ILE A 8 8.529 9.915 -1.304 1.00 0.00 O ATOM 103 CB ILE A 8 9.180 8.336 1.740 1.00 0.00 C ATOM 104 CG1 ILE A 8 10.145 9.531 1.803 1.00 0.00 C ATOM 105 CG2 ILE A 8 9.916 7.052 2.182 1.00 0.00 C ATOM 106 CD1 ILE A 8 10.620 9.779 3.232 1.00 0.00 C ATOM 0 H ILE A 8 10.294 8.166 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 8 7.661 7.523 0.482 1.00 0.00 H new ATOM 0 HB ILE A 8 8.358 8.533 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.004 9.343 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.649 10.423 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.359 7.207 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.208 6.225 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.701 6.817 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.301 10.630 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.761 9.991 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.137 8.894 3.602 1.00 0.00 H new ATOM 118 N TRP A 9 7.048 10.131 0.379 1.00 0.00 N ATOM 119 CA TRP A 9 6.542 11.432 -0.045 1.00 0.00 C ATOM 120 C TRP A 9 6.016 12.180 1.186 1.00 0.00 C ATOM 121 O TRP A 9 4.809 12.360 1.362 1.00 0.00 O ATOM 122 CB TRP A 9 5.531 11.275 -1.199 1.00 0.00 C ATOM 123 CG TRP A 9 5.739 12.210 -2.353 1.00 0.00 C ATOM 124 CD1 TRP A 9 6.240 11.842 -3.553 1.00 0.00 C ATOM 125 CD2 TRP A 9 5.514 13.653 -2.448 1.00 0.00 C ATOM 126 NE1 TRP A 9 6.259 12.922 -4.408 1.00 0.00 N ATOM 127 CE2 TRP A 9 5.823 14.069 -3.782 1.00 0.00 C ATOM 128 CE3 TRP A 9 5.099 14.661 -1.549 1.00 0.00 C ATOM 129 CZ2 TRP A 9 5.680 15.398 -4.210 1.00 0.00 C ATOM 130 CZ3 TRP A 9 4.996 16.006 -1.958 1.00 0.00 C ATOM 131 CH2 TRP A 9 5.266 16.372 -3.289 1.00 0.00 C ATOM 0 H TRP A 9 6.590 9.765 1.214 1.00 0.00 H new ATOM 0 HA TRP A 9 7.336 12.049 -0.466 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.579 10.250 -1.567 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.526 11.426 -0.805 1.00 0.00 H new ATOM 0 HD1 TRP A 9 6.576 10.847 -3.805 1.00 0.00 H new ATOM 0 HE1 TRP A 9 6.558 12.878 -5.382 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.856 14.396 -0.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 5.886 15.667 -5.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 4.707 16.762 -1.243 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.155 17.400 -3.601 1.00 0.00 H new ATOM 142 N VAL A 10 6.930 12.570 2.079 1.00 0.00 N ATOM 143 CA VAL A 10 6.604 13.343 3.281 1.00 0.00 C ATOM 144 C VAL A 10 7.403 14.646 3.272 1.00 0.00 C ATOM 145 O VAL A 10 8.347 14.816 2.497 1.00 0.00 O ATOM 146 CB VAL A 10 6.774 12.501 4.570 1.00 0.00 C ATOM 147 CG1 VAL A 10 6.022 11.161 4.508 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.238 12.241 4.935 1.00 0.00 C ATOM 0 H VAL A 10 7.923 12.357 1.988 1.00 0.00 H new ATOM 0 HA VAL A 10 5.548 13.613 3.273 1.00 0.00 H new ATOM 0 HB VAL A 10 6.332 13.116 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.177 10.614 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.957 11.348 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.398 10.571 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.285 11.646 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.725 11.700 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.747 13.191 5.095 1.00 0.00 H new ATOM 158 N GLY A 11 7.003 15.572 4.139 1.00 0.00 N ATOM 159 CA GLY A 11 7.638 16.882 4.253 1.00 0.00 C ATOM 160 C GLY A 11 7.192 17.681 5.476 1.00 0.00 C ATOM 161 O GLY A 11 7.962 18.492 5.989 1.00 0.00 O ATOM 0 H GLY A 11 6.226 15.434 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.719 16.749 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.421 17.460 3.355 1.00 0.00 H new ATOM 165 N GLY A 12 5.980 17.423 5.980 1.00 0.00 N ATOM 166 CA GLY A 12 5.420 18.098 7.148 1.00 0.00 C ATOM 167 C GLY A 12 4.319 17.262 7.796 1.00 0.00 C ATOM 168 O GLY A 12 3.282 17.803 8.184 1.00 0.00 O ATOM 0 H GLY A 12 5.353 16.726 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.210 18.289 7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.018 19.067 6.853 1.00 0.00 H new ATOM 172 N THR A 13 4.499 15.939 7.847 1.00 0.00 N ATOM 173 CA THR A 13 3.566 15.018 8.482 1.00 0.00 C ATOM 174 C THR A 13 3.573 15.231 10.009 1.00 0.00 C ATOM 175 O THR A 13 4.539 15.790 10.543 1.00 0.00 O ATOM 176 CB THR A 13 3.955 13.589 8.068 1.00 0.00 C ATOM 177 OG1 THR A 13 5.361 13.420 8.157 1.00 0.00 O ATOM 178 CG2 THR A 13 3.537 13.316 6.621 1.00 0.00 C ATOM 0 H THR A 13 5.312 15.475 7.440 1.00 0.00 H new ATOM 0 HA THR A 13 2.542 15.199 8.157 1.00 0.00 H new ATOM 0 HB THR A 13 3.446 12.897 8.739 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.716 14.000 8.862 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.820 12.300 6.346 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.457 13.430 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.035 14.024 5.959 1.00 0.00 H new ATOM 186 N PRO A 14 2.519 14.797 10.734 1.00 0.00 N ATOM 187 CA PRO A 14 2.449 14.932 12.187 1.00 0.00 C ATOM 188 C PRO A 14 3.668 14.331 12.897 1.00 0.00 C ATOM 189 O PRO A 14 4.190 14.936 13.836 1.00 0.00 O ATOM 190 CB PRO A 14 1.154 14.229 12.611 1.00 0.00 C ATOM 191 CG PRO A 14 0.274 14.327 11.368 1.00 0.00 C ATOM 192 CD PRO A 14 1.278 14.228 10.221 1.00 0.00 C ATOM 0 HA PRO A 14 2.451 15.984 12.472 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.334 13.192 12.895 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.693 14.719 13.469 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.461 13.523 11.330 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.279 15.266 11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.420 13.192 9.913 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.928 14.776 9.346 1.00 0.00 H new ATOM 200 N GLU A 15 4.125 13.157 12.441 1.00 0.00 N ATOM 201 CA GLU A 15 5.265 12.443 13.008 1.00 0.00 C ATOM 202 C GLU A 15 5.849 11.400 12.045 1.00 0.00 C ATOM 203 O GLU A 15 6.783 10.691 12.422 1.00 0.00 O ATOM 204 CB GLU A 15 4.882 11.807 14.365 1.00 0.00 C ATOM 205 CG GLU A 15 3.770 10.747 14.288 1.00 0.00 C ATOM 206 CD GLU A 15 3.341 10.289 15.693 1.00 0.00 C ATOM 207 OE1 GLU A 15 4.088 9.520 16.341 1.00 0.00 O ATOM 208 OE2 GLU A 15 2.244 10.678 16.157 1.00 0.00 O ATOM 0 H GLU A 15 3.700 12.671 11.651 1.00 0.00 H new ATOM 0 HA GLU A 15 6.054 13.176 13.177 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.771 11.350 14.800 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.565 12.598 15.045 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.910 11.156 13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.120 9.889 13.714 1.00 0.00 H new ATOM 215 N GLU A 16 5.346 11.267 10.808 1.00 0.00 N ATOM 216 CA GLU A 16 5.833 10.210 9.908 1.00 0.00 C ATOM 217 C GLU A 16 7.272 10.496 9.475 1.00 0.00 C ATOM 218 O GLU A 16 8.050 9.565 9.284 1.00 0.00 O ATOM 219 CB GLU A 16 4.894 9.978 8.718 1.00 0.00 C ATOM 220 CG GLU A 16 3.500 9.577 9.213 1.00 0.00 C ATOM 221 CD GLU A 16 2.568 9.184 8.054 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.600 8.013 7.611 1.00 0.00 O ATOM 223 OE2 GLU A 16 1.770 10.031 7.594 1.00 0.00 O ATOM 0 H GLU A 16 4.618 11.864 10.414 1.00 0.00 H new ATOM 0 HA GLU A 16 5.836 9.273 10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.827 10.884 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.298 9.197 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.588 8.741 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.060 10.406 9.767 1.00 0.00 H new ATOM 230 N LEU A 17 7.662 11.775 9.433 1.00 0.00 N ATOM 231 CA LEU A 17 9.036 12.228 9.264 1.00 0.00 C ATOM 232 C LEU A 17 9.937 11.528 10.274 1.00 0.00 C ATOM 233 O LEU A 17 11.044 11.142 9.917 1.00 0.00 O ATOM 234 CB LEU A 17 9.109 13.747 9.517 1.00 0.00 C ATOM 235 CG LEU A 17 8.685 14.614 8.319 1.00 0.00 C ATOM 236 CD1 LEU A 17 8.272 16.003 8.811 1.00 0.00 C ATOM 237 CD2 LEU A 17 9.826 14.750 7.306 1.00 0.00 C ATOM 0 H LEU A 17 7.001 12.547 9.519 1.00 0.00 H new ATOM 0 HA LEU A 17 9.363 11.997 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.475 13.992 10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.130 14.008 9.795 1.00 0.00 H new ATOM 0 HG LEU A 17 7.843 14.128 7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.972 16.616 7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.436 15.910 9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.114 16.474 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.498 15.368 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.686 15.217 7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.107 13.763 6.940 1.00 0.00 H new ATOM 249 N LYS A 18 9.480 11.337 11.518 1.00 0.00 N ATOM 250 CA LYS A 18 10.305 10.721 12.555 1.00 0.00 C ATOM 251 C LYS A 18 10.470 9.237 12.257 1.00 0.00 C ATOM 252 O LYS A 18 11.585 8.724 12.320 1.00 0.00 O ATOM 253 CB LYS A 18 9.697 10.927 13.956 1.00 0.00 C ATOM 254 CG LYS A 18 9.396 12.390 14.330 1.00 0.00 C ATOM 255 CD LYS A 18 10.637 13.297 14.290 1.00 0.00 C ATOM 256 CE LYS A 18 10.271 14.704 14.784 1.00 0.00 C ATOM 257 NZ LYS A 18 11.440 15.620 14.790 1.00 0.00 N ATOM 0 H LYS A 18 8.544 11.601 11.827 1.00 0.00 H new ATOM 0 HA LYS A 18 11.283 11.203 12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.772 10.354 14.021 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.381 10.513 14.696 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.644 12.785 13.647 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.965 12.420 15.331 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.426 12.877 14.914 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.028 13.349 13.274 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.490 15.119 14.147 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.859 14.638 15.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.145 16.557 15.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.176 15.239 15.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.819 15.706 13.825 1.00 0.00 H new ATOM 271 N LYS A 19 9.380 8.547 11.902 1.00 0.00 N ATOM 272 CA LYS A 19 9.421 7.107 11.638 1.00 0.00 C ATOM 273 C LYS A 19 10.309 6.837 10.428 1.00 0.00 C ATOM 274 O LYS A 19 11.162 5.952 10.467 1.00 0.00 O ATOM 275 CB LYS A 19 8.012 6.523 11.398 1.00 0.00 C ATOM 276 CG LYS A 19 6.894 7.058 12.304 1.00 0.00 C ATOM 277 CD LYS A 19 7.137 6.921 13.814 1.00 0.00 C ATOM 278 CE LYS A 19 6.025 7.709 14.515 1.00 0.00 C ATOM 279 NZ LYS A 19 6.124 7.684 15.992 1.00 0.00 N ATOM 0 H LYS A 19 8.457 8.966 11.791 1.00 0.00 H new ATOM 0 HA LYS A 19 9.832 6.616 12.520 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.734 6.714 10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.064 5.441 11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.738 8.112 12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.969 6.537 12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.117 5.874 14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.118 7.312 14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.054 8.744 14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.059 7.302 14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.417 8.329 16.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.949 6.718 16.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.076 7.987 16.281 1.00 0.00 H new ATOM 293 N LEU A 20 10.129 7.609 9.355 1.00 0.00 N ATOM 294 CA LEU A 20 10.851 7.401 8.110 1.00 0.00 C ATOM 295 C LEU A 20 12.307 7.840 8.267 1.00 0.00 C ATOM 296 O LEU A 20 13.193 7.134 7.790 1.00 0.00 O ATOM 297 CB LEU A 20 10.128 8.103 6.943 1.00 0.00 C ATOM 298 CG LEU A 20 8.696 7.566 6.698 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.013 8.311 5.556 1.00 0.00 C ATOM 300 CD2 LEU A 20 8.661 6.065 6.383 1.00 0.00 C ATOM 0 H LEU A 20 9.478 8.394 9.330 1.00 0.00 H new ATOM 0 HA LEU A 20 10.867 6.338 7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.078 9.173 7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.716 7.979 6.033 1.00 0.00 H new ATOM 0 HG LEU A 20 8.163 7.734 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.010 7.911 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.948 9.371 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.592 8.184 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.630 5.751 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.245 5.868 5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.083 5.508 7.219 1.00 0.00 H new ATOM 312 N LYS A 21 12.591 8.934 8.991 1.00 0.00 N ATOM 313 CA LYS A 21 13.980 9.275 9.333 1.00 0.00 C ATOM 314 C LYS A 21 14.631 8.155 10.147 1.00 0.00 C ATOM 315 O LYS A 21 15.792 7.836 9.899 1.00 0.00 O ATOM 316 CB LYS A 21 14.041 10.624 10.072 1.00 0.00 C ATOM 317 CG LYS A 21 15.448 11.099 10.480 1.00 0.00 C ATOM 318 CD LYS A 21 16.431 11.218 9.304 1.00 0.00 C ATOM 319 CE LYS A 21 17.687 11.986 9.742 1.00 0.00 C ATOM 320 NZ LYS A 21 18.670 12.143 8.638 1.00 0.00 N ATOM 0 H LYS A 21 11.892 9.587 9.345 1.00 0.00 H new ATOM 0 HA LYS A 21 14.548 9.379 8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.590 11.386 9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.427 10.554 10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.365 12.069 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.857 10.404 11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.708 10.225 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.953 11.733 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.398 12.970 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.159 11.461 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.499 12.667 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.968 11.205 8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.231 12.667 7.854 1.00 0.00 H new ATOM 334 N GLU A 22 13.914 7.535 11.087 1.00 0.00 N ATOM 335 CA GLU A 22 14.456 6.410 11.835 1.00 0.00 C ATOM 336 C GLU A 22 14.736 5.237 10.891 1.00 0.00 C ATOM 337 O GLU A 22 15.812 4.660 10.970 1.00 0.00 O ATOM 338 CB GLU A 22 13.544 6.030 13.015 1.00 0.00 C ATOM 339 CG GLU A 22 14.139 4.832 13.771 1.00 0.00 C ATOM 340 CD GLU A 22 13.502 4.534 15.137 1.00 0.00 C ATOM 341 OE1 GLU A 22 12.294 4.785 15.351 1.00 0.00 O ATOM 342 OE2 GLU A 22 14.229 3.996 16.005 1.00 0.00 O ATOM 0 H GLU A 22 12.962 7.795 11.344 1.00 0.00 H new ATOM 0 HA GLU A 22 15.408 6.702 12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.435 6.879 13.690 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.547 5.782 12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.045 3.945 13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.205 5.009 13.917 1.00 0.00 H new ATOM 349 N GLU A 23 13.847 4.904 9.955 1.00 0.00 N ATOM 350 CA GLU A 23 14.087 3.835 8.988 1.00 0.00 C ATOM 351 C GLU A 23 15.318 4.122 8.120 1.00 0.00 C ATOM 352 O GLU A 23 16.077 3.198 7.823 1.00 0.00 O ATOM 353 CB GLU A 23 12.862 3.600 8.097 1.00 0.00 C ATOM 354 CG GLU A 23 11.753 2.788 8.772 1.00 0.00 C ATOM 355 CD GLU A 23 10.698 2.366 7.740 1.00 0.00 C ATOM 356 OE1 GLU A 23 11.004 1.549 6.841 1.00 0.00 O ATOM 357 OE2 GLU A 23 9.544 2.843 7.799 1.00 0.00 O ATOM 0 H GLU A 23 12.944 5.366 9.847 1.00 0.00 H new ATOM 0 HA GLU A 23 14.277 2.929 9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.458 4.564 7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.177 3.083 7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.178 1.905 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.286 3.381 9.558 1.00 0.00 H new ATOM 364 N ALA A 24 15.586 5.383 7.772 1.00 0.00 N ATOM 365 CA ALA A 24 16.807 5.753 7.057 1.00 0.00 C ATOM 366 C ALA A 24 18.071 5.410 7.857 1.00 0.00 C ATOM 367 O ALA A 24 19.136 5.218 7.269 1.00 0.00 O ATOM 368 CB ALA A 24 16.789 7.245 6.716 1.00 0.00 C ATOM 0 H ALA A 24 14.968 6.169 7.976 1.00 0.00 H new ATOM 0 HA ALA A 24 16.834 5.170 6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.703 7.508 6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.927 7.464 6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.724 7.828 7.635 1.00 0.00 H new ATOM 374 N LYS A 25 17.961 5.308 9.185 1.00 0.00 N ATOM 375 CA LYS A 25 19.066 5.034 10.100 1.00 0.00 C ATOM 376 C LYS A 25 19.033 3.592 10.615 1.00 0.00 C ATOM 377 O LYS A 25 20.075 3.094 11.043 1.00 0.00 O ATOM 378 CB LYS A 25 19.002 6.031 11.272 1.00 0.00 C ATOM 379 CG LYS A 25 19.203 7.492 10.819 1.00 0.00 C ATOM 380 CD LYS A 25 18.907 8.514 11.926 1.00 0.00 C ATOM 381 CE LYS A 25 19.874 8.377 13.114 1.00 0.00 C ATOM 382 NZ LYS A 25 19.627 9.398 14.166 1.00 0.00 N ATOM 0 H LYS A 25 17.068 5.418 9.666 1.00 0.00 H new ATOM 0 HA LYS A 25 20.005 5.156 9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.037 5.938 11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.766 5.773 12.006 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.230 7.622 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.556 7.693 9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.977 9.522 11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.883 8.383 12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.775 7.382 13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.900 8.468 12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.303 9.265 14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.747 10.349 13.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.657 9.296 14.528 1.00 0.00 H new ATOM 396 N LYS A 26 17.883 2.902 10.564 1.00 0.00 N ATOM 397 CA LYS A 26 17.714 1.567 11.160 1.00 0.00 C ATOM 398 C LYS A 26 17.557 0.475 10.104 1.00 0.00 C ATOM 399 O LYS A 26 17.816 -0.690 10.405 1.00 0.00 O ATOM 400 CB LYS A 26 16.509 1.560 12.123 1.00 0.00 C ATOM 401 CG LYS A 26 16.658 2.447 13.373 1.00 0.00 C ATOM 402 CD LYS A 26 17.762 1.992 14.339 1.00 0.00 C ATOM 403 CE LYS A 26 17.836 2.871 15.601 1.00 0.00 C ATOM 404 NZ LYS A 26 16.664 2.723 16.503 1.00 0.00 N ATOM 0 H LYS A 26 17.042 3.255 10.107 1.00 0.00 H new ATOM 0 HA LYS A 26 18.624 1.345 11.718 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.624 1.881 11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.329 0.534 12.445 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.866 3.469 13.057 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.708 2.465 13.907 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.582 0.957 14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.723 2.016 13.826 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.742 2.622 16.154 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.922 3.915 15.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.910 3.072 17.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.865 3.274 16.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.396 1.720 16.562 1.00 0.00 H new ATOM 418 N ALA A 27 17.177 0.833 8.875 1.00 0.00 N ATOM 419 CA ALA A 27 17.010 -0.078 7.746 1.00 0.00 C ATOM 420 C ALA A 27 17.748 0.430 6.497 1.00 0.00 C ATOM 421 O ALA A 27 17.710 -0.237 5.464 1.00 0.00 O ATOM 422 CB ALA A 27 15.510 -0.273 7.480 1.00 0.00 C ATOM 0 H ALA A 27 16.970 1.802 8.633 1.00 0.00 H new ATOM 0 HA ALA A 27 17.455 -1.042 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.375 -0.952 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.035 -0.694 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.054 0.689 7.247 1.00 0.00 H new ATOM 428 N ASN A 28 18.425 1.587 6.581 1.00 0.00 N ATOM 429 CA ASN A 28 19.230 2.223 5.524 1.00 0.00 C ATOM 430 C ASN A 28 18.425 2.653 4.288 1.00 0.00 C ATOM 431 O ASN A 28 19.013 3.031 3.273 1.00 0.00 O ATOM 432 CB ASN A 28 20.396 1.304 5.122 1.00 0.00 C ATOM 433 CG ASN A 28 21.509 2.035 4.371 1.00 0.00 C ATOM 434 OD1 ASN A 28 21.825 1.714 3.229 1.00 0.00 O ATOM 435 ND2 ASN A 28 22.151 3.011 4.997 1.00 0.00 N ATOM 0 H ASN A 28 18.425 2.137 7.440 1.00 0.00 H new ATOM 0 HA ASN A 28 19.615 3.148 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 28 20.813 0.844 6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 28 20.015 0.497 4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 28 22.914 3.501 4.530 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.882 3.272 5.946 1.00 0.00 H new ATOM 442 N ILE A 29 17.095 2.553 4.330 1.00 0.00 N ATOM 443 CA ILE A 29 16.254 2.760 3.158 1.00 0.00 C ATOM 444 C ILE A 29 16.328 4.210 2.648 1.00 0.00 C ATOM 445 O ILE A 29 16.688 5.131 3.388 1.00 0.00 O ATOM 446 CB ILE A 29 14.825 2.234 3.423 1.00 0.00 C ATOM 447 CG1 ILE A 29 14.068 2.775 4.657 1.00 0.00 C ATOM 448 CG2 ILE A 29 14.885 0.709 3.621 1.00 0.00 C ATOM 449 CD1 ILE A 29 13.904 4.290 4.740 1.00 0.00 C ATOM 0 H ILE A 29 16.575 2.326 5.178 1.00 0.00 H new ATOM 0 HA ILE A 29 16.640 2.168 2.328 1.00 0.00 H new ATOM 0 HB ILE A 29 14.276 2.582 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.077 2.322 4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.589 2.438 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 29 13.882 0.327 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 29 15.289 0.241 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 29 15.527 0.477 4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.358 4.548 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.886 4.762 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.350 4.644 3.871 1.00 0.00 H new ATOM 461 N ARG A 30 16.009 4.413 1.364 1.00 0.00 N ATOM 462 CA ARG A 30 15.996 5.751 0.769 1.00 0.00 C ATOM 463 C ARG A 30 14.866 6.561 1.394 1.00 0.00 C ATOM 464 O ARG A 30 13.769 6.043 1.605 1.00 0.00 O ATOM 465 CB ARG A 30 15.816 5.683 -0.758 1.00 0.00 C ATOM 466 CG ARG A 30 16.994 5.009 -1.477 1.00 0.00 C ATOM 467 CD ARG A 30 16.784 5.049 -2.996 1.00 0.00 C ATOM 468 NE ARG A 30 17.875 4.366 -3.716 1.00 0.00 N ATOM 469 CZ ARG A 30 19.036 4.909 -4.107 1.00 0.00 C ATOM 470 NH1 ARG A 30 19.313 6.186 -3.854 1.00 0.00 N ATOM 471 NH2 ARG A 30 19.925 4.162 -4.755 1.00 0.00 N ATOM 0 H ARG A 30 15.756 3.665 0.718 1.00 0.00 H new ATOM 0 HA ARG A 30 16.954 6.232 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 30 14.900 5.138 -0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 30 15.691 6.693 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.924 5.515 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.089 3.976 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.833 4.578 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.722 6.085 -3.328 1.00 0.00 H new ATOM 0 HE ARG A 30 17.731 3.381 -3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.637 6.765 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.201 6.585 -4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 30 19.721 3.182 -4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.811 4.569 -5.056 1.00 0.00 H new ATOM 485 N VAL A 31 15.113 7.847 1.621 1.00 0.00 N ATOM 486 CA VAL A 31 14.115 8.803 2.080 1.00 0.00 C ATOM 487 C VAL A 31 14.305 10.095 1.291 1.00 0.00 C ATOM 488 O VAL A 31 15.409 10.404 0.834 1.00 0.00 O ATOM 489 CB VAL A 31 14.196 9.023 3.610 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.795 7.755 4.377 1.00 0.00 C ATOM 491 CG2 VAL A 31 15.578 9.487 4.098 1.00 0.00 C ATOM 0 H VAL A 31 16.035 8.262 1.487 1.00 0.00 H new ATOM 0 HA VAL A 31 13.112 8.416 1.898 1.00 0.00 H new ATOM 0 HB VAL A 31 13.490 9.827 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.862 7.942 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.772 7.482 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.466 6.939 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.556 9.620 5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.326 8.737 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.833 10.434 3.621 1.00 0.00 H new ATOM 501 N THR A 32 13.217 10.839 1.126 1.00 0.00 N ATOM 502 CA THR A 32 13.187 12.093 0.385 1.00 0.00 C ATOM 503 C THR A 32 12.164 12.986 1.088 1.00 0.00 C ATOM 504 O THR A 32 11.059 12.532 1.387 1.00 0.00 O ATOM 505 CB THR A 32 12.817 11.815 -1.088 1.00 0.00 C ATOM 506 OG1 THR A 32 13.530 10.705 -1.614 1.00 0.00 O ATOM 507 CG2 THR A 32 13.082 13.021 -1.993 1.00 0.00 C ATOM 0 H THR A 32 12.310 10.580 1.514 1.00 0.00 H new ATOM 0 HA THR A 32 14.156 12.592 0.369 1.00 0.00 H new ATOM 0 HB THR A 32 11.749 11.598 -1.079 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.268 10.560 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.806 12.774 -3.018 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.489 13.869 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.140 13.279 -1.955 1.00 0.00 H new ATOM 515 N PHE A 33 12.534 14.234 1.381 1.00 0.00 N ATOM 516 CA PHE A 33 11.748 15.116 2.233 1.00 0.00 C ATOM 517 C PHE A 33 11.467 16.409 1.474 1.00 0.00 C ATOM 518 O PHE A 33 12.387 17.170 1.160 1.00 0.00 O ATOM 519 CB PHE A 33 12.489 15.359 3.560 1.00 0.00 C ATOM 520 CG PHE A 33 12.780 14.111 4.383 1.00 0.00 C ATOM 521 CD1 PHE A 33 11.737 13.229 4.722 1.00 0.00 C ATOM 522 CD2 PHE A 33 14.087 13.837 4.838 1.00 0.00 C ATOM 523 CE1 PHE A 33 11.984 12.105 5.531 1.00 0.00 C ATOM 524 CE2 PHE A 33 14.337 12.704 5.637 1.00 0.00 C ATOM 525 CZ PHE A 33 13.284 11.844 5.994 1.00 0.00 C ATOM 0 H PHE A 33 13.392 14.659 1.030 1.00 0.00 H new ATOM 0 HA PHE A 33 10.791 14.659 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.433 15.859 3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.897 16.044 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.738 13.417 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.899 14.498 4.573 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.173 11.442 5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.341 12.496 5.976 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.474 10.986 6.622 1.00 0.00 H new ATOM 535 N TRP A 34 10.196 16.628 1.138 1.00 0.00 N ATOM 536 CA TRP A 34 9.734 17.821 0.441 1.00 0.00 C ATOM 537 C TRP A 34 9.620 18.999 1.411 1.00 0.00 C ATOM 538 O TRP A 34 9.432 18.812 2.616 1.00 0.00 O ATOM 539 CB TRP A 34 8.388 17.519 -0.242 1.00 0.00 C ATOM 540 CG TRP A 34 8.547 16.845 -1.572 1.00 0.00 C ATOM 541 CD1 TRP A 34 8.454 17.470 -2.767 1.00 0.00 C ATOM 542 CD2 TRP A 34 8.892 15.457 -1.881 1.00 0.00 C ATOM 543 NE1 TRP A 34 8.769 16.593 -3.783 1.00 0.00 N ATOM 544 CE2 TRP A 34 9.064 15.338 -3.295 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.093 14.287 -1.117 1.00 0.00 C ATOM 546 CZ2 TRP A 34 9.448 14.135 -3.910 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.476 13.078 -1.723 1.00 0.00 C ATOM 548 CH2 TRP A 34 9.657 12.997 -3.114 1.00 0.00 C ATOM 0 H TRP A 34 9.448 15.967 1.348 1.00 0.00 H new ATOM 0 HA TRP A 34 10.457 18.102 -0.324 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.789 16.885 0.412 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.837 18.450 -0.376 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.174 18.504 -2.905 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.782 16.842 -4.772 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.950 14.322 -0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.581 14.086 -4.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.633 12.201 -1.112 1.00 0.00 H new ATOM 0 HH2 TRP A 34 9.955 12.064 -3.569 1.00 0.00 H new ATOM 559 N GLY A 35 9.649 20.220 0.873 1.00 0.00 N ATOM 560 CA GLY A 35 9.344 21.448 1.600 1.00 0.00 C ATOM 561 C GLY A 35 7.829 21.659 1.652 1.00 0.00 C ATOM 562 O GLY A 35 7.341 22.723 1.269 1.00 0.00 O ATOM 0 H GLY A 35 9.891 20.383 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.747 21.392 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.822 22.298 1.113 1.00 0.00 H new ATOM 566 N ASP A 36 7.088 20.608 2.019 1.00 0.00 N ATOM 567 CA ASP A 36 5.627 20.572 2.014 1.00 0.00 C ATOM 568 C ASP A 36 5.039 21.698 2.866 1.00 0.00 C ATOM 569 O ASP A 36 4.122 22.391 2.383 1.00 0.00 O ATOM 570 CB ASP A 36 5.107 19.223 2.514 1.00 0.00 C ATOM 571 CG ASP A 36 3.573 19.252 2.616 1.00 0.00 C ATOM 572 OD1 ASP A 36 2.895 19.206 1.564 1.00 0.00 O ATOM 573 OD2 ASP A 36 3.037 19.294 3.746 1.00 0.00 O ATOM 574 OXT ASP A 36 5.505 21.899 4.009 1.00 0.00 O ATOM 0 H ASP A 36 7.505 19.733 2.337 1.00 0.00 H new ATOM 0 HA ASP A 36 5.307 20.713 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.419 18.430 1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.540 18.996 3.488 1.00 0.00 H new TER 579 ASP A 36