USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=7 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= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 13 THR OG1 : rot -72:sc= 1.14 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 2.38 (180deg=2.26) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00962) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 1.23 (180deg=1.18) USER MOD Single : A 28 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.58) USER MOD Single : A 32 THR OG1 : rot -110:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.992 -7.429 -8.450 1.00 0.00 N ATOM 2 CA GLY A 1 9.231 -6.716 -8.081 1.00 0.00 C ATOM 3 C GLY A 1 9.084 -6.038 -6.725 1.00 0.00 C ATOM 4 O GLY A 1 8.365 -5.039 -6.602 1.00 0.00 O ATOM 0 H1 GLY A 1 8.116 -7.883 -9.377 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.783 -8.154 -7.735 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.203 -6.753 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.065 -7.418 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.467 -5.971 -8.841 1.00 0.00 H new ATOM 10 N SER A 2 9.782 -6.555 -5.707 1.00 0.00 N ATOM 11 CA SER A 2 9.733 -6.077 -4.326 1.00 0.00 C ATOM 12 C SER A 2 11.131 -6.190 -3.701 1.00 0.00 C ATOM 13 O SER A 2 12.001 -6.893 -4.227 1.00 0.00 O ATOM 14 CB SER A 2 8.718 -6.912 -3.526 1.00 0.00 C ATOM 15 OG SER A 2 7.438 -6.934 -4.145 1.00 0.00 O ATOM 0 H SER A 2 10.417 -7.344 -5.829 1.00 0.00 H new ATOM 0 HA SER A 2 9.418 -5.034 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.089 -7.932 -3.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.627 -6.504 -2.519 1.00 0.00 H new ATOM 0 HG SER A 2 6.824 -7.476 -3.607 1.00 0.00 H new ATOM 21 N GLY A 3 11.347 -5.513 -2.572 1.00 0.00 N ATOM 22 CA GLY A 3 12.599 -5.518 -1.829 1.00 0.00 C ATOM 23 C GLY A 3 12.465 -4.650 -0.579 1.00 0.00 C ATOM 24 O GLY A 3 11.400 -4.076 -0.328 1.00 0.00 O ATOM 0 H GLY A 3 10.631 -4.930 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.861 -6.538 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 3 13.407 -5.143 -2.458 1.00 0.00 H new ATOM 28 N GLN A 4 13.539 -4.560 0.210 1.00 0.00 N ATOM 29 CA GLN A 4 13.572 -3.745 1.424 1.00 0.00 C ATOM 30 C GLN A 4 13.474 -2.251 1.085 1.00 0.00 C ATOM 31 O GLN A 4 12.874 -1.489 1.848 1.00 0.00 O ATOM 32 CB GLN A 4 14.863 -4.061 2.204 1.00 0.00 C ATOM 33 CG GLN A 4 14.908 -3.422 3.603 1.00 0.00 C ATOM 34 CD GLN A 4 16.188 -3.785 4.362 1.00 0.00 C ATOM 35 OE1 GLN A 4 17.300 -3.584 3.881 1.00 0.00 O ATOM 36 NE2 GLN A 4 16.071 -4.323 5.567 1.00 0.00 N ATOM 0 H GLN A 4 14.412 -5.053 0.023 1.00 0.00 H new ATOM 0 HA GLN A 4 12.711 -3.987 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.962 -5.142 2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 4 15.720 -3.714 1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 4 14.838 -2.338 3.508 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.041 -3.748 4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 4 15.146 -4.489 5.964 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.906 -4.571 6.098 1.00 0.00 H new ATOM 45 N VAL A 5 14.077 -1.827 -0.033 1.00 0.00 N ATOM 46 CA VAL A 5 14.110 -0.430 -0.457 1.00 0.00 C ATOM 47 C VAL A 5 12.689 0.094 -0.705 1.00 0.00 C ATOM 48 O VAL A 5 11.788 -0.644 -1.116 1.00 0.00 O ATOM 49 CB VAL A 5 15.087 -0.276 -1.648 1.00 0.00 C ATOM 50 CG1 VAL A 5 14.581 -0.916 -2.949 1.00 0.00 C ATOM 51 CG2 VAL A 5 15.472 1.190 -1.886 1.00 0.00 C ATOM 0 H VAL A 5 14.561 -2.456 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 5 14.503 0.208 0.335 1.00 0.00 H new ATOM 0 HB VAL A 5 15.980 -0.829 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.318 -0.768 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.426 -1.984 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.639 -0.452 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 5 16.159 1.253 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.576 1.771 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.956 1.589 -0.994 1.00 0.00 H new ATOM 61 N ARG A 6 12.499 1.385 -0.430 1.00 0.00 N ATOM 62 CA ARG A 6 11.218 2.084 -0.498 1.00 0.00 C ATOM 63 C ARG A 6 11.458 3.538 -0.901 1.00 0.00 C ATOM 64 O ARG A 6 12.601 3.994 -0.915 1.00 0.00 O ATOM 65 CB ARG A 6 10.496 1.956 0.863 1.00 0.00 C ATOM 66 CG ARG A 6 11.213 2.663 2.036 1.00 0.00 C ATOM 67 CD ARG A 6 10.889 2.034 3.399 1.00 0.00 C ATOM 68 NE ARG A 6 11.432 0.667 3.506 1.00 0.00 N ATOM 69 CZ ARG A 6 11.459 -0.094 4.606 1.00 0.00 C ATOM 70 NH1 ARG A 6 11.015 0.353 5.777 1.00 0.00 N ATOM 71 NH2 ARG A 6 11.947 -1.323 4.511 1.00 0.00 N ATOM 0 H ARG A 6 13.264 1.995 -0.143 1.00 0.00 H new ATOM 0 HA ARG A 6 10.571 1.639 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.491 2.367 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.387 0.899 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.290 2.627 1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.927 3.715 2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.302 2.654 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.809 2.010 3.542 1.00 0.00 H new ATOM 0 HE ARG A 6 11.826 0.261 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.641 1.299 5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.048 -0.250 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.290 -1.667 3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.979 -1.924 5.334 1.00 0.00 H new ATOM 85 N THR A 7 10.378 4.261 -1.178 1.00 0.00 N ATOM 86 CA THR A 7 10.364 5.698 -1.399 1.00 0.00 C ATOM 87 C THR A 7 9.188 6.252 -0.597 1.00 0.00 C ATOM 88 O THR A 7 8.218 5.544 -0.305 1.00 0.00 O ATOM 89 CB THR A 7 10.277 5.991 -2.915 1.00 0.00 C ATOM 90 OG1 THR A 7 11.482 5.588 -3.543 1.00 0.00 O ATOM 91 CG2 THR A 7 10.060 7.467 -3.265 1.00 0.00 C ATOM 0 H THR A 7 9.451 3.842 -1.257 1.00 0.00 H new ATOM 0 HA THR A 7 11.278 6.186 -1.060 1.00 0.00 H new ATOM 0 HB THR A 7 9.408 5.435 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.427 5.772 -4.504 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.011 7.581 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.126 7.813 -2.821 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.888 8.059 -2.875 1.00 0.00 H new ATOM 99 N ILE A 8 9.310 7.521 -0.223 1.00 0.00 N ATOM 100 CA ILE A 8 8.378 8.251 0.631 1.00 0.00 C ATOM 101 C ILE A 8 8.026 9.568 -0.078 1.00 0.00 C ATOM 102 O ILE A 8 8.719 9.959 -1.022 1.00 0.00 O ATOM 103 CB ILE A 8 8.999 8.450 2.042 1.00 0.00 C ATOM 104 CG1 ILE A 8 10.017 9.602 2.086 1.00 0.00 C ATOM 105 CG2 ILE A 8 9.682 7.161 2.549 1.00 0.00 C ATOM 106 CD1 ILE A 8 10.432 9.926 3.519 1.00 0.00 C ATOM 0 H ILE A 8 10.098 8.096 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 8 7.453 7.696 0.790 1.00 0.00 H new ATOM 0 HB ILE A 8 8.164 8.703 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.898 9.333 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.585 10.489 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.105 7.338 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.947 6.358 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.477 6.876 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.152 10.744 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.554 10.219 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.887 9.046 3.974 1.00 0.00 H new ATOM 118 N TRP A 9 6.998 10.277 0.397 1.00 0.00 N ATOM 119 CA TRP A 9 6.628 11.590 -0.134 1.00 0.00 C ATOM 120 C TRP A 9 6.030 12.472 0.973 1.00 0.00 C ATOM 121 O TRP A 9 5.032 13.166 0.775 1.00 0.00 O ATOM 122 CB TRP A 9 5.743 11.429 -1.388 1.00 0.00 C ATOM 123 CG TRP A 9 6.241 12.186 -2.584 1.00 0.00 C ATOM 124 CD1 TRP A 9 6.908 11.640 -3.624 1.00 0.00 C ATOM 125 CD2 TRP A 9 6.202 13.624 -2.854 1.00 0.00 C ATOM 126 NE1 TRP A 9 7.219 12.616 -4.548 1.00 0.00 N ATOM 127 CE2 TRP A 9 6.821 13.865 -4.119 1.00 0.00 C ATOM 128 CE3 TRP A 9 5.734 14.755 -2.150 1.00 0.00 C ATOM 129 CZ2 TRP A 9 6.939 15.154 -4.664 1.00 0.00 C ATOM 130 CZ3 TRP A 9 5.883 16.054 -2.666 1.00 0.00 C ATOM 131 CH2 TRP A 9 6.470 16.256 -3.928 1.00 0.00 C ATOM 0 H TRP A 9 6.400 9.957 1.159 1.00 0.00 H new ATOM 0 HA TRP A 9 7.516 12.124 -0.472 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.678 10.371 -1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.733 11.764 -1.153 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.160 10.594 -3.718 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.685 12.436 -5.437 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.251 14.619 -1.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.385 15.297 -5.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.545 16.902 -2.090 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.560 17.254 -4.330 1.00 0.00 H new ATOM 142 N VAL A 10 6.598 12.402 2.180 1.00 0.00 N ATOM 143 CA VAL A 10 6.154 13.249 3.283 1.00 0.00 C ATOM 144 C VAL A 10 6.533 14.710 3.004 1.00 0.00 C ATOM 145 O VAL A 10 7.592 15.007 2.439 1.00 0.00 O ATOM 146 CB VAL A 10 6.686 12.740 4.638 1.00 0.00 C ATOM 147 CG1 VAL A 10 6.118 11.346 4.942 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.218 12.706 4.720 1.00 0.00 C ATOM 0 H VAL A 10 7.363 11.769 2.415 1.00 0.00 H new ATOM 0 HA VAL A 10 5.067 13.199 3.354 1.00 0.00 H new ATOM 0 HB VAL A 10 6.348 13.456 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.501 10.998 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.030 11.397 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.419 10.652 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.522 12.338 5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.609 12.045 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.613 13.711 4.571 1.00 0.00 H new ATOM 158 N GLY A 11 5.656 15.608 3.440 1.00 0.00 N ATOM 159 CA GLY A 11 5.805 17.051 3.453 1.00 0.00 C ATOM 160 C GLY A 11 4.612 17.607 4.230 1.00 0.00 C ATOM 161 O GLY A 11 3.545 16.983 4.248 1.00 0.00 O ATOM 0 H GLY A 11 4.755 15.319 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.744 17.339 3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.825 17.447 2.438 1.00 0.00 H new ATOM 165 N GLY A 12 4.797 18.720 4.941 1.00 0.00 N ATOM 166 CA GLY A 12 3.811 19.251 5.882 1.00 0.00 C ATOM 167 C GLY A 12 3.380 18.236 6.953 1.00 0.00 C ATOM 168 O GLY A 12 2.272 18.345 7.480 1.00 0.00 O ATOM 0 H GLY A 12 5.645 19.284 4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.226 20.132 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.931 19.579 5.328 1.00 0.00 H new ATOM 172 N THR A 13 4.222 17.241 7.259 1.00 0.00 N ATOM 173 CA THR A 13 3.902 16.094 8.111 1.00 0.00 C ATOM 174 C THR A 13 5.113 15.756 9.005 1.00 0.00 C ATOM 175 O THR A 13 5.676 14.662 8.915 1.00 0.00 O ATOM 176 CB THR A 13 3.396 14.909 7.247 1.00 0.00 C ATOM 177 OG1 THR A 13 3.991 14.879 5.960 1.00 0.00 O ATOM 178 CG2 THR A 13 1.880 14.962 7.034 1.00 0.00 C ATOM 0 H THR A 13 5.179 17.214 6.906 1.00 0.00 H new ATOM 0 HA THR A 13 3.082 16.335 8.788 1.00 0.00 H new ATOM 0 HB THR A 13 3.676 14.018 7.808 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.632 15.611 5.416 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.568 14.114 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.375 14.920 7.999 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.616 15.890 6.527 1.00 0.00 H new ATOM 186 N PRO A 14 5.562 16.683 9.879 1.00 0.00 N ATOM 187 CA PRO A 14 6.756 16.478 10.698 1.00 0.00 C ATOM 188 C PRO A 14 6.617 15.291 11.662 1.00 0.00 C ATOM 189 O PRO A 14 7.618 14.691 12.050 1.00 0.00 O ATOM 190 CB PRO A 14 6.989 17.801 11.435 1.00 0.00 C ATOM 191 CG PRO A 14 5.601 18.436 11.489 1.00 0.00 C ATOM 192 CD PRO A 14 4.961 17.976 10.180 1.00 0.00 C ATOM 0 HA PRO A 14 7.612 16.217 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.393 17.637 12.434 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.699 18.435 10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.035 18.096 12.356 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.657 19.523 11.551 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.879 17.890 10.282 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.150 18.691 9.379 1.00 0.00 H new ATOM 200 N GLU A 15 5.387 14.911 12.017 1.00 0.00 N ATOM 201 CA GLU A 15 5.102 13.765 12.871 1.00 0.00 C ATOM 202 C GLU A 15 5.457 12.433 12.195 1.00 0.00 C ATOM 203 O GLU A 15 5.624 11.427 12.883 1.00 0.00 O ATOM 204 CB GLU A 15 3.633 13.806 13.332 1.00 0.00 C ATOM 205 CG GLU A 15 2.609 13.625 12.200 1.00 0.00 C ATOM 206 CD GLU A 15 1.169 13.791 12.717 1.00 0.00 C ATOM 207 OE1 GLU A 15 0.581 12.810 13.228 1.00 0.00 O ATOM 208 OE2 GLU A 15 0.602 14.902 12.605 1.00 0.00 O ATOM 0 H GLU A 15 4.548 15.404 11.711 1.00 0.00 H new ATOM 0 HA GLU A 15 5.741 13.831 13.752 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.476 13.025 14.076 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.446 14.759 13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.801 14.354 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.726 12.637 11.755 1.00 0.00 H new ATOM 215 N GLU A 16 5.589 12.397 10.866 1.00 0.00 N ATOM 216 CA GLU A 16 5.890 11.172 10.122 1.00 0.00 C ATOM 217 C GLU A 16 7.395 10.999 9.983 1.00 0.00 C ATOM 218 O GLU A 16 7.886 9.868 9.958 1.00 0.00 O ATOM 219 CB GLU A 16 5.212 11.198 8.747 1.00 0.00 C ATOM 220 CG GLU A 16 3.687 11.275 8.879 1.00 0.00 C ATOM 221 CD GLU A 16 3.065 9.961 9.386 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.050 9.727 10.616 1.00 0.00 O ATOM 223 OE2 GLU A 16 2.575 9.160 8.556 1.00 0.00 O ATOM 0 H GLU A 16 5.489 13.221 10.274 1.00 0.00 H new ATOM 0 HA GLU A 16 5.496 10.319 10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.573 12.054 8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.486 10.304 8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.426 12.083 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.255 11.526 7.910 1.00 0.00 H new ATOM 230 N LEU A 17 8.147 12.107 10.020 1.00 0.00 N ATOM 231 CA LEU A 17 9.606 12.076 10.121 1.00 0.00 C ATOM 232 C LEU A 17 10.005 11.255 11.345 1.00 0.00 C ATOM 233 O LEU A 17 11.039 10.594 11.321 1.00 0.00 O ATOM 234 CB LEU A 17 10.199 13.491 10.262 1.00 0.00 C ATOM 235 CG LEU A 17 9.784 14.509 9.185 1.00 0.00 C ATOM 236 CD1 LEU A 17 10.362 15.890 9.520 1.00 0.00 C ATOM 237 CD2 LEU A 17 10.250 14.092 7.793 1.00 0.00 C ATOM 0 H LEU A 17 7.758 13.049 9.981 1.00 0.00 H new ATOM 0 HA LEU A 17 9.996 11.630 9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.914 13.887 11.237 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.286 13.410 10.257 1.00 0.00 H new ATOM 0 HG LEU A 17 8.695 14.549 9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.064 16.605 8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.984 16.218 10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.450 15.830 9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.935 14.839 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.337 14.010 7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.811 13.128 7.536 1.00 0.00 H new ATOM 249 N LYS A 18 9.167 11.240 12.392 1.00 0.00 N ATOM 250 CA LYS A 18 9.479 10.529 13.634 1.00 0.00 C ATOM 251 C LYS A 18 9.571 9.015 13.422 1.00 0.00 C ATOM 252 O LYS A 18 10.245 8.342 14.202 1.00 0.00 O ATOM 253 CB LYS A 18 8.455 10.866 14.734 1.00 0.00 C ATOM 254 CG LYS A 18 8.219 12.371 14.970 1.00 0.00 C ATOM 255 CD LYS A 18 9.496 13.164 15.298 1.00 0.00 C ATOM 256 CE LYS A 18 9.212 14.661 15.495 1.00 0.00 C ATOM 257 NZ LYS A 18 8.474 14.955 16.751 1.00 0.00 N ATOM 0 H LYS A 18 8.265 11.716 12.400 1.00 0.00 H new ATOM 0 HA LYS A 18 10.461 10.870 13.961 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.503 10.401 14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.788 10.415 15.669 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.757 12.799 14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.509 12.492 15.788 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.951 12.760 16.202 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.219 13.036 14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.156 15.206 15.499 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.635 15.030 14.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.313 15.980 16.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.559 14.460 16.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.033 14.631 17.566 1.00 0.00 H new ATOM 271 N LYS A 19 8.926 8.474 12.380 1.00 0.00 N ATOM 272 CA LYS A 19 9.008 7.057 12.032 1.00 0.00 C ATOM 273 C LYS A 19 10.003 6.881 10.894 1.00 0.00 C ATOM 274 O LYS A 19 10.853 5.997 10.947 1.00 0.00 O ATOM 275 CB LYS A 19 7.635 6.492 11.613 1.00 0.00 C ATOM 276 CG LYS A 19 6.502 6.665 12.644 1.00 0.00 C ATOM 277 CD LYS A 19 5.716 7.971 12.447 1.00 0.00 C ATOM 278 CE LYS A 19 4.541 8.064 13.427 1.00 0.00 C ATOM 279 NZ LYS A 19 3.785 9.323 13.242 1.00 0.00 N ATOM 0 H LYS A 19 8.330 9.014 11.753 1.00 0.00 H new ATOM 0 HA LYS A 19 9.338 6.507 12.913 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.332 6.973 10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.749 5.429 11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.818 5.819 12.571 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.925 6.648 13.649 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.380 8.823 12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.345 8.024 11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.875 7.213 13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.913 8.007 14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.049 9.397 13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.434 10.132 13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.340 9.326 12.302 1.00 0.00 H new ATOM 293 N LEU A 20 9.925 7.725 9.863 1.00 0.00 N ATOM 294 CA LEU A 20 10.685 7.504 8.637 1.00 0.00 C ATOM 295 C LEU A 20 12.176 7.777 8.839 1.00 0.00 C ATOM 296 O LEU A 20 12.990 7.099 8.213 1.00 0.00 O ATOM 297 CB LEU A 20 10.075 8.305 7.475 1.00 0.00 C ATOM 298 CG LEU A 20 8.607 7.917 7.178 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.070 8.728 6.005 1.00 0.00 C ATOM 300 CD2 LEU A 20 8.419 6.427 6.865 1.00 0.00 C ATOM 0 H LEU A 20 9.345 8.564 9.855 1.00 0.00 H new ATOM 0 HA LEU A 20 10.614 6.450 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.124 9.368 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.675 8.148 6.579 1.00 0.00 H new ATOM 0 HG LEU A 20 8.054 8.137 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.036 8.443 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.114 9.790 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.675 8.532 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.366 6.227 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.010 6.162 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.747 5.832 7.717 1.00 0.00 H new ATOM 312 N LYS A 21 12.566 8.688 9.744 1.00 0.00 N ATOM 313 CA LYS A 21 13.975 8.815 10.128 1.00 0.00 C ATOM 314 C LYS A 21 14.463 7.534 10.789 1.00 0.00 C ATOM 315 O LYS A 21 15.602 7.142 10.547 1.00 0.00 O ATOM 316 CB LYS A 21 14.208 9.992 11.094 1.00 0.00 C ATOM 317 CG LYS A 21 14.270 11.366 10.412 1.00 0.00 C ATOM 318 CD LYS A 21 15.585 11.552 9.632 1.00 0.00 C ATOM 319 CE LYS A 21 15.728 12.974 9.062 1.00 0.00 C ATOM 320 NZ LYS A 21 15.956 14.004 10.109 1.00 0.00 N ATOM 0 H LYS A 21 11.935 9.336 10.215 1.00 0.00 H new ATOM 0 HA LYS A 21 14.535 9.003 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.408 10.003 11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.140 9.825 11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.425 11.474 9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.178 12.150 11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.428 11.340 10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.627 10.830 8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.558 12.994 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.827 13.227 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.111 14.928 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.124 14.057 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.792 13.748 10.671 1.00 0.00 H new ATOM 334 N GLU A 22 13.633 6.881 11.609 1.00 0.00 N ATOM 335 CA GLU A 22 14.035 5.642 12.258 1.00 0.00 C ATOM 336 C GLU A 22 14.275 4.585 11.185 1.00 0.00 C ATOM 337 O GLU A 22 15.318 3.952 11.204 1.00 0.00 O ATOM 338 CB GLU A 22 13.005 5.186 13.306 1.00 0.00 C ATOM 339 CG GLU A 22 13.604 4.098 14.211 1.00 0.00 C ATOM 340 CD GLU A 22 12.576 3.518 15.196 1.00 0.00 C ATOM 341 OE1 GLU A 22 12.133 4.230 16.126 1.00 0.00 O ATOM 342 OE2 GLU A 22 12.239 2.318 15.066 1.00 0.00 O ATOM 0 H GLU A 22 12.688 7.191 11.834 1.00 0.00 H new ATOM 0 HA GLU A 22 14.962 5.804 12.808 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.691 6.037 13.910 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.115 4.803 12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.003 3.294 13.592 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.442 4.515 14.770 1.00 0.00 H new ATOM 349 N GLU A 23 13.385 4.434 10.203 1.00 0.00 N ATOM 350 CA GLU A 23 13.555 3.477 9.107 1.00 0.00 C ATOM 351 C GLU A 23 14.830 3.771 8.314 1.00 0.00 C ATOM 352 O GLU A 23 15.590 2.845 8.037 1.00 0.00 O ATOM 353 CB GLU A 23 12.327 3.480 8.181 1.00 0.00 C ATOM 354 CG GLU A 23 11.068 2.926 8.864 1.00 0.00 C ATOM 355 CD GLU A 23 9.835 2.904 7.939 1.00 0.00 C ATOM 356 OE1 GLU A 23 9.983 2.717 6.709 1.00 0.00 O ATOM 357 OE2 GLU A 23 8.699 3.013 8.455 1.00 0.00 O ATOM 0 H GLU A 23 12.522 4.974 10.145 1.00 0.00 H new ATOM 0 HA GLU A 23 13.650 2.483 9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.134 4.498 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.545 2.886 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.269 1.914 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.844 3.530 9.743 1.00 0.00 H new ATOM 364 N ALA A 24 15.112 5.047 8.029 1.00 0.00 N ATOM 365 CA ALA A 24 16.312 5.489 7.321 1.00 0.00 C ATOM 366 C ALA A 24 17.617 5.246 8.096 1.00 0.00 C ATOM 367 O ALA A 24 18.700 5.498 7.562 1.00 0.00 O ATOM 368 CB ALA A 24 16.173 6.978 6.990 1.00 0.00 C ATOM 0 H ALA A 24 14.496 5.817 8.292 1.00 0.00 H new ATOM 0 HA ALA A 24 16.386 4.888 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.064 7.318 6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.297 7.130 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.060 7.547 7.913 1.00 0.00 H new ATOM 374 N LYS A 25 17.530 4.791 9.349 1.00 0.00 N ATOM 375 CA LYS A 25 18.669 4.503 10.219 1.00 0.00 C ATOM 376 C LYS A 25 18.633 3.036 10.664 1.00 0.00 C ATOM 377 O LYS A 25 19.686 2.460 10.940 1.00 0.00 O ATOM 378 CB LYS A 25 18.649 5.482 11.410 1.00 0.00 C ATOM 379 CG LYS A 25 18.877 6.946 10.968 1.00 0.00 C ATOM 380 CD LYS A 25 18.559 7.979 12.061 1.00 0.00 C ATOM 381 CE LYS A 25 19.545 7.883 13.236 1.00 0.00 C ATOM 382 NZ LYS A 25 19.278 8.904 14.280 1.00 0.00 N ATOM 0 H LYS A 25 16.633 4.607 9.799 1.00 0.00 H new ATOM 0 HA LYS A 25 19.606 4.646 9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.691 5.405 11.925 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.420 5.196 12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.915 7.065 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.259 7.153 10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.596 8.982 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.543 7.824 12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.483 6.889 13.679 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.563 8.004 12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.968 8.800 15.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.362 9.854 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.317 8.774 14.655 1.00 0.00 H new ATOM 396 N LYS A 26 17.453 2.406 10.684 1.00 0.00 N ATOM 397 CA LYS A 26 17.268 0.979 10.935 1.00 0.00 C ATOM 398 C LYS A 26 17.800 0.196 9.740 1.00 0.00 C ATOM 399 O LYS A 26 18.461 -0.827 9.927 1.00 0.00 O ATOM 400 CB LYS A 26 15.770 0.707 11.154 1.00 0.00 C ATOM 401 CG LYS A 26 15.476 -0.697 11.704 1.00 0.00 C ATOM 402 CD LYS A 26 13.968 -1.003 11.770 1.00 0.00 C ATOM 403 CE LYS A 26 13.124 0.018 12.558 1.00 0.00 C ATOM 404 NZ LYS A 26 13.428 0.040 14.010 1.00 0.00 N ATOM 0 H LYS A 26 16.573 2.895 10.520 1.00 0.00 H new ATOM 0 HA LYS A 26 17.813 0.665 11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.371 1.450 11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.243 0.836 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.967 -1.440 11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.906 -0.790 12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.581 -1.062 10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.833 -1.986 12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.291 1.013 12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.067 -0.211 12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.027 0.900 14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.012 -0.798 14.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.459 0.033 14.149 1.00 0.00 H new ATOM 418 N ALA A 27 17.544 0.692 8.527 1.00 0.00 N ATOM 419 CA ALA A 27 18.043 0.132 7.281 1.00 0.00 C ATOM 420 C ALA A 27 18.566 1.264 6.393 1.00 0.00 C ATOM 421 O ALA A 27 18.283 2.439 6.623 1.00 0.00 O ATOM 422 CB ALA A 27 16.917 -0.656 6.596 1.00 0.00 C ATOM 0 H ALA A 27 16.965 1.520 8.387 1.00 0.00 H new ATOM 0 HA ALA A 27 18.868 -0.554 7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.285 -1.078 5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.585 -1.461 7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.080 0.011 6.388 1.00 0.00 H new ATOM 428 N ASN A 28 19.310 0.903 5.347 1.00 0.00 N ATOM 429 CA ASN A 28 19.957 1.838 4.415 1.00 0.00 C ATOM 430 C ASN A 28 18.970 2.467 3.413 1.00 0.00 C ATOM 431 O ASN A 28 19.381 3.038 2.401 1.00 0.00 O ATOM 432 CB ASN A 28 21.053 1.076 3.651 1.00 0.00 C ATOM 433 CG ASN A 28 22.012 2.005 2.904 1.00 0.00 C ATOM 434 OD1 ASN A 28 22.446 3.030 3.425 1.00 0.00 O ATOM 435 ND2 ASN A 28 22.391 1.663 1.683 1.00 0.00 N ATOM 0 H ASN A 28 19.486 -0.074 5.115 1.00 0.00 H new ATOM 0 HA ASN A 28 20.375 2.659 4.998 1.00 0.00 H new ATOM 0 HB2 ASN A 28 21.620 0.464 4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 28 20.586 0.395 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 28 23.047 2.251 1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 28 22.027 0.811 1.256 1.00 0.00 H new ATOM 442 N ILE A 29 17.666 2.279 3.624 1.00 0.00 N ATOM 443 CA ILE A 29 16.628 2.618 2.663 1.00 0.00 C ATOM 444 C ILE A 29 16.582 4.119 2.347 1.00 0.00 C ATOM 445 O ILE A 29 16.994 4.970 3.142 1.00 0.00 O ATOM 446 CB ILE A 29 15.275 2.007 3.098 1.00 0.00 C ATOM 447 CG1 ILE A 29 14.731 2.394 4.497 1.00 0.00 C ATOM 448 CG2 ILE A 29 15.415 0.473 3.086 1.00 0.00 C ATOM 449 CD1 ILE A 29 14.213 3.827 4.631 1.00 0.00 C ATOM 0 H ILE A 29 17.300 1.878 4.487 1.00 0.00 H new ATOM 0 HA ILE A 29 16.877 2.162 1.705 1.00 0.00 H new ATOM 0 HB ILE A 29 14.560 2.416 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.923 1.709 4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 29 15.524 2.243 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.472 0.019 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 29 15.671 0.139 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 29 16.201 0.174 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.857 3.991 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 29 15.019 4.527 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.394 3.985 3.929 1.00 0.00 H new ATOM 461 N ARG A 30 16.094 4.433 1.145 1.00 0.00 N ATOM 462 CA ARG A 30 15.954 5.796 0.650 1.00 0.00 C ATOM 463 C ARG A 30 14.795 6.480 1.373 1.00 0.00 C ATOM 464 O ARG A 30 13.757 5.867 1.620 1.00 0.00 O ATOM 465 CB ARG A 30 15.766 5.724 -0.882 1.00 0.00 C ATOM 466 CG ARG A 30 15.426 7.046 -1.589 1.00 0.00 C ATOM 467 CD ARG A 30 13.912 7.285 -1.703 1.00 0.00 C ATOM 468 NE ARG A 30 13.641 8.593 -2.318 1.00 0.00 N ATOM 469 CZ ARG A 30 13.374 8.842 -3.605 1.00 0.00 C ATOM 470 NH1 ARG A 30 13.072 7.864 -4.455 1.00 0.00 N ATOM 471 NH2 ARG A 30 13.413 10.105 -4.013 1.00 0.00 N ATOM 0 H ARG A 30 15.780 3.729 0.478 1.00 0.00 H new ATOM 0 HA ARG A 30 16.839 6.399 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.681 5.327 -1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.973 5.008 -1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.880 7.873 -1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.865 7.043 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.457 6.495 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.455 7.240 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 30 13.659 9.400 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.040 6.898 -4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.872 8.081 -5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.641 10.848 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.215 10.333 -4.987 1.00 0.00 H new ATOM 485 N VAL A 31 14.956 7.775 1.630 1.00 0.00 N ATOM 486 CA VAL A 31 13.925 8.687 2.109 1.00 0.00 C ATOM 487 C VAL A 31 14.185 10.031 1.430 1.00 0.00 C ATOM 488 O VAL A 31 15.325 10.347 1.078 1.00 0.00 O ATOM 489 CB VAL A 31 13.926 8.812 3.653 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.407 7.533 4.325 1.00 0.00 C ATOM 491 CG2 VAL A 31 15.308 9.156 4.238 1.00 0.00 C ATOM 0 H VAL A 31 15.855 8.239 1.503 1.00 0.00 H new ATOM 0 HA VAL A 31 12.934 8.310 1.857 1.00 0.00 H new ATOM 0 HB VAL A 31 13.254 9.642 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.423 7.659 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.386 7.338 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.044 6.693 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.236 9.228 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.020 8.375 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.648 10.109 3.833 1.00 0.00 H new ATOM 501 N THR A 32 13.128 10.818 1.252 1.00 0.00 N ATOM 502 CA THR A 32 13.214 12.189 0.751 1.00 0.00 C ATOM 503 C THR A 32 12.147 13.003 1.485 1.00 0.00 C ATOM 504 O THR A 32 11.008 12.557 1.616 1.00 0.00 O ATOM 505 CB THR A 32 13.034 12.211 -0.779 1.00 0.00 C ATOM 506 OG1 THR A 32 13.920 11.298 -1.408 1.00 0.00 O ATOM 507 CG2 THR A 32 13.301 13.591 -1.387 1.00 0.00 C ATOM 0 H THR A 32 12.174 10.519 1.454 1.00 0.00 H new ATOM 0 HA THR A 32 14.193 12.628 0.942 1.00 0.00 H new ATOM 0 HB THR A 32 11.994 11.934 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.608 11.795 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.159 13.546 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.609 14.317 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.325 13.893 -1.168 1.00 0.00 H new ATOM 515 N PHE A 33 12.519 14.182 1.981 1.00 0.00 N ATOM 516 CA PHE A 33 11.695 14.971 2.886 1.00 0.00 C ATOM 517 C PHE A 33 11.428 16.325 2.234 1.00 0.00 C ATOM 518 O PHE A 33 12.313 17.186 2.197 1.00 0.00 O ATOM 519 CB PHE A 33 12.417 15.102 4.241 1.00 0.00 C ATOM 520 CG PHE A 33 12.805 13.791 4.914 1.00 0.00 C ATOM 521 CD1 PHE A 33 11.807 12.875 5.288 1.00 0.00 C ATOM 522 CD2 PHE A 33 14.151 13.495 5.208 1.00 0.00 C ATOM 523 CE1 PHE A 33 12.132 11.704 5.994 1.00 0.00 C ATOM 524 CE2 PHE A 33 14.483 12.311 5.895 1.00 0.00 C ATOM 525 CZ PHE A 33 13.472 11.425 6.308 1.00 0.00 C ATOM 0 H PHE A 33 13.414 14.619 1.761 1.00 0.00 H new ATOM 0 HA PHE A 33 10.735 14.490 3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.320 15.695 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.775 15.662 4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.777 13.073 5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.931 14.178 4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.352 11.020 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.517 12.083 6.105 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.725 10.534 6.864 1.00 0.00 H new ATOM 535 N TRP A 34 10.229 16.505 1.676 1.00 0.00 N ATOM 536 CA TRP A 34 9.796 17.804 1.177 1.00 0.00 C ATOM 537 C TRP A 34 9.415 18.697 2.359 1.00 0.00 C ATOM 538 O TRP A 34 9.040 18.200 3.425 1.00 0.00 O ATOM 539 CB TRP A 34 8.624 17.620 0.200 1.00 0.00 C ATOM 540 CG TRP A 34 9.054 17.094 -1.140 1.00 0.00 C ATOM 541 CD1 TRP A 34 9.325 17.864 -2.218 1.00 0.00 C ATOM 542 CD2 TRP A 34 9.356 15.721 -1.553 1.00 0.00 C ATOM 543 NE1 TRP A 34 9.782 17.080 -3.255 1.00 0.00 N ATOM 544 CE2 TRP A 34 9.842 15.750 -2.897 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.296 14.453 -0.930 1.00 0.00 C ATOM 546 CZ2 TRP A 34 10.260 14.595 -3.577 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.716 13.290 -1.601 1.00 0.00 C ATOM 548 CH2 TRP A 34 10.195 13.356 -2.920 1.00 0.00 C ATOM 0 H TRP A 34 9.541 15.761 1.560 1.00 0.00 H new ATOM 0 HA TRP A 34 10.607 18.289 0.633 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.898 16.935 0.637 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.118 18.576 0.064 1.00 0.00 H new ATOM 0 HD1 TRP A 34 9.201 18.936 -2.260 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.043 17.439 -4.173 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.921 14.376 0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.626 14.659 -4.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.670 12.336 -1.097 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.512 12.457 -3.427 1.00 0.00 H new ATOM 559 N GLY A 35 9.489 20.017 2.167 1.00 0.00 N ATOM 560 CA GLY A 35 8.949 20.968 3.131 1.00 0.00 C ATOM 561 C GLY A 35 7.428 20.823 3.147 1.00 0.00 C ATOM 562 O GLY A 35 6.831 20.613 4.203 1.00 0.00 O ATOM 0 H GLY A 35 9.920 20.448 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.359 20.778 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.231 21.985 2.859 1.00 0.00 H new ATOM 566 N ASP A 36 6.819 20.839 1.959 1.00 0.00 N ATOM 567 CA ASP A 36 5.422 20.518 1.687 1.00 0.00 C ATOM 568 C ASP A 36 5.296 20.208 0.198 1.00 0.00 C ATOM 569 O ASP A 36 4.559 19.267 -0.153 1.00 0.00 O ATOM 570 CB ASP A 36 4.494 21.686 2.040 1.00 0.00 C ATOM 571 CG ASP A 36 3.074 21.425 1.513 1.00 0.00 C ATOM 572 OD1 ASP A 36 2.341 20.610 2.118 1.00 0.00 O ATOM 573 OD2 ASP A 36 2.668 22.064 0.515 1.00 0.00 O ATOM 574 OXT ASP A 36 5.981 20.879 -0.604 1.00 0.00 O ATOM 0 H ASP A 36 7.323 21.093 1.110 1.00 0.00 H new ATOM 0 HA ASP A 36 5.127 19.666 2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.467 21.823 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.883 22.610 1.611 1.00 0.00 H new TER 579 ASP A 36