USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 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 SER N :NH3+ -135:sc= 0.13 (180deg=0.00636) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0452 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00617 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.033 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00305 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -24.983 -5.304 0.789 1.00 10.00 N ATOM 2 CA SER A 1 -23.775 -4.597 1.314 1.00 10.00 C ATOM 3 C SER A 1 -23.014 -3.916 0.167 1.00 10.00 C ATOM 4 O SER A 1 -23.380 -4.034 -0.987 1.00 10.00 O ATOM 5 CB SER A 1 -22.917 -5.690 1.959 1.00 10.00 C ATOM 6 OG SER A 1 -22.644 -6.706 1.001 1.00 10.00 O ATOM 0 H1 SER A 1 -25.798 -5.099 1.401 1.00 10.00 H new ATOM 0 H2 SER A 1 -25.185 -4.976 -0.177 1.00 10.00 H new ATOM 0 H3 SER A 1 -24.808 -6.329 0.777 1.00 10.00 H new ATOM 0 HA SER A 1 -24.036 -3.815 2.027 1.00 10.00 H new ATOM 0 HB2 SER A 1 -21.984 -5.264 2.329 1.00 10.00 H new ATOM 0 HB3 SER A 1 -23.436 -6.115 2.818 1.00 10.00 H new ATOM 0 HG SER A 1 -22.094 -7.405 1.413 1.00 10.00 H new ATOM 14 N GLY A 2 -21.958 -3.203 0.480 1.00 10.00 N ATOM 15 CA GLY A 2 -21.169 -2.512 -0.584 1.00 10.00 C ATOM 16 C GLY A 2 -21.316 -0.996 -0.431 1.00 10.00 C ATOM 17 O GLY A 2 -22.391 -0.450 -0.591 1.00 10.00 O ATOM 0 H GLY A 2 -21.609 -3.071 1.429 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -20.119 -2.794 -0.513 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -21.517 -2.824 -1.569 1.00 10.00 H new ATOM 21 N SER A 3 -20.240 -0.313 -0.126 1.00 10.00 N ATOM 22 CA SER A 3 -20.309 1.174 0.035 1.00 10.00 C ATOM 23 C SER A 3 -19.049 1.833 -0.542 1.00 10.00 C ATOM 24 O SER A 3 -18.083 1.166 -0.869 1.00 10.00 O ATOM 25 CB SER A 3 -20.394 1.409 1.545 1.00 10.00 C ATOM 26 OG SER A 3 -20.613 2.794 1.793 1.00 10.00 O ATOM 0 H SER A 3 -19.316 -0.721 0.019 1.00 10.00 H new ATOM 0 HA SER A 3 -21.160 1.604 -0.493 1.00 10.00 H new ATOM 0 HB2 SER A 3 -21.205 0.819 1.972 1.00 10.00 H new ATOM 0 HB3 SER A 3 -19.473 1.082 2.028 1.00 10.00 H new ATOM 0 HG SER A 3 -20.670 2.948 2.759 1.00 10.00 H new ATOM 32 N TRP A 4 -19.055 3.138 -0.662 1.00 10.00 N ATOM 33 CA TRP A 4 -17.861 3.853 -1.213 1.00 10.00 C ATOM 34 C TRP A 4 -16.635 3.626 -0.318 1.00 10.00 C ATOM 35 O TRP A 4 -15.521 3.539 -0.799 1.00 10.00 O ATOM 36 CB TRP A 4 -18.249 5.335 -1.232 1.00 10.00 C ATOM 37 CG TRP A 4 -18.219 5.837 -2.640 1.00 10.00 C ATOM 38 CD1 TRP A 4 -19.275 6.372 -3.295 1.00 10.00 C ATOM 39 CD2 TRP A 4 -17.102 5.858 -3.577 1.00 10.00 C ATOM 40 NE1 TRP A 4 -18.877 6.720 -4.573 1.00 10.00 N ATOM 41 CE2 TRP A 4 -17.547 6.423 -4.795 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.761 5.445 -3.488 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -16.691 6.574 -5.886 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -14.897 5.595 -4.585 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.361 6.158 -5.781 1.00 10.00 C ATOM 0 H TRP A 4 -19.836 3.740 -0.402 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.594 3.492 -2.206 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.244 5.467 -0.808 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.560 5.911 -0.614 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -20.266 6.505 -2.887 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -19.492 7.145 -5.267 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.393 5.010 -2.571 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -17.054 7.009 -6.805 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -13.869 5.274 -4.506 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.692 6.270 -6.621 1.00 10.00 H new ATOM 56 N LEU A 5 -16.831 3.517 0.978 1.00 10.00 N ATOM 57 CA LEU A 5 -15.670 3.280 1.895 1.00 10.00 C ATOM 58 C LEU A 5 -14.952 1.983 1.502 1.00 10.00 C ATOM 59 O LEU A 5 -13.737 1.928 1.462 1.00 10.00 O ATOM 60 CB LEU A 5 -16.273 3.162 3.297 1.00 10.00 C ATOM 61 CG LEU A 5 -15.181 3.413 4.342 1.00 10.00 C ATOM 62 CD1 LEU A 5 -15.043 4.916 4.590 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.558 2.715 5.652 1.00 10.00 C ATOM 0 H LEU A 5 -17.740 3.582 1.436 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.934 4.083 1.845 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.082 3.883 3.419 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.705 2.171 3.437 1.00 10.00 H new ATOM 0 HG LEU A 5 -14.234 3.017 3.976 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -14.266 5.092 5.334 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -14.774 5.415 3.659 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -15.990 5.313 4.954 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -14.781 2.893 6.396 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -16.506 3.111 6.015 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.655 1.643 5.478 1.00 10.00 H new ATOM 75 N ARG A 6 -15.695 0.944 1.192 1.00 10.00 N ATOM 76 CA ARG A 6 -15.054 -0.342 0.780 1.00 10.00 C ATOM 77 C ARG A 6 -14.337 -0.146 -0.561 1.00 10.00 C ATOM 78 O ARG A 6 -13.274 -0.690 -0.787 1.00 10.00 O ATOM 79 CB ARG A 6 -16.201 -1.348 0.640 1.00 10.00 C ATOM 80 CG ARG A 6 -15.645 -2.776 0.699 1.00 10.00 C ATOM 81 CD ARG A 6 -15.547 -3.234 2.159 1.00 10.00 C ATOM 82 NE ARG A 6 -15.954 -4.670 2.144 1.00 10.00 N ATOM 83 CZ ARG A 6 -15.158 -5.582 2.639 1.00 10.00 C ATOM 84 NH1 ARG A 6 -14.990 -5.670 3.933 1.00 10.00 N ATOM 85 NH2 ARG A 6 -14.532 -6.403 1.837 1.00 10.00 N ATOM 0 H ARG A 6 -16.715 0.934 1.207 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.313 -0.688 1.501 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.929 -1.198 1.437 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.724 -1.189 -0.303 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.292 -3.451 0.139 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -14.662 -2.813 0.230 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -14.533 -3.115 2.542 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -16.202 -2.645 2.802 1.00 10.00 H new ATOM 0 HE ARG A 6 -16.854 -4.940 1.747 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -15.480 -5.028 4.556 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -14.369 -6.381 4.319 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -14.665 -6.331 0.828 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -13.910 -7.115 2.220 1.00 10.00 H new ATOM 99 N ASP A 7 -14.908 0.645 -1.442 1.00 10.00 N ATOM 100 CA ASP A 7 -14.262 0.905 -2.768 1.00 10.00 C ATOM 101 C ASP A 7 -12.872 1.523 -2.561 1.00 10.00 C ATOM 102 O ASP A 7 -11.940 1.232 -3.286 1.00 10.00 O ATOM 103 CB ASP A 7 -15.192 1.899 -3.473 1.00 10.00 C ATOM 104 CG ASP A 7 -14.881 1.931 -4.971 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.947 2.621 -5.348 1.00 10.00 O ATOM 106 OD2 ASP A 7 -15.582 1.264 -5.714 1.00 10.00 O ATOM 0 H ASP A 7 -15.797 1.123 -1.297 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.124 -0.006 -3.350 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -16.232 1.613 -3.315 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -15.067 2.894 -3.045 1.00 10.00 H new ATOM 111 N ILE A 8 -12.730 2.372 -1.572 1.00 10.00 N ATOM 112 CA ILE A 8 -11.405 3.010 -1.304 1.00 10.00 C ATOM 113 C ILE A 8 -10.551 2.093 -0.417 1.00 10.00 C ATOM 114 O ILE A 8 -9.362 1.948 -0.631 1.00 10.00 O ATOM 115 CB ILE A 8 -11.726 4.323 -0.575 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.622 5.199 -1.460 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.427 5.076 -0.270 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.596 5.983 -0.581 1.00 10.00 C ATOM 0 H ILE A 8 -13.478 2.651 -0.937 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.840 3.187 -2.219 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.243 4.096 0.357 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.012 5.885 -2.047 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.172 4.578 -2.167 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.659 6.007 0.247 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.789 4.459 0.362 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.908 5.299 -1.202 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.233 6.606 -1.209 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.215 5.288 -0.014 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.036 6.616 0.108 1.00 10.00 H new ATOM 130 N TRP A 9 -11.152 1.471 0.574 1.00 10.00 N ATOM 131 CA TRP A 9 -10.381 0.560 1.480 1.00 10.00 C ATOM 132 C TRP A 9 -9.687 -0.543 0.672 1.00 10.00 C ATOM 133 O TRP A 9 -8.541 -0.867 0.919 1.00 10.00 O ATOM 134 CB TRP A 9 -11.418 -0.042 2.434 1.00 10.00 C ATOM 135 CG TRP A 9 -10.713 -0.688 3.586 1.00 10.00 C ATOM 136 CD1 TRP A 9 -10.852 -1.981 3.959 1.00 10.00 C ATOM 137 CD2 TRP A 9 -9.760 -0.094 4.516 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.045 -2.219 5.057 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.353 -1.087 5.438 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.215 1.196 4.646 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -8.437 -0.810 6.453 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.294 1.479 5.668 1.00 10.00 C ATOM 143 CH2 TRP A 9 -7.905 0.478 6.569 1.00 10.00 C ATOM 0 H TRP A 9 -12.145 1.556 0.793 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.599 1.094 2.019 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.092 0.735 2.795 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.030 -0.776 1.909 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -11.489 -2.709 3.478 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -9.970 -3.121 5.528 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.506 1.974 3.956 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -8.141 -1.585 7.144 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -7.883 2.474 5.760 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -7.195 0.701 7.352 1.00 10.00 H new ATOM 154 N ASP A 10 -10.365 -1.113 -0.299 1.00 10.00 N ATOM 155 CA ASP A 10 -9.729 -2.184 -1.131 1.00 10.00 C ATOM 156 C ASP A 10 -8.470 -1.630 -1.813 1.00 10.00 C ATOM 157 O ASP A 10 -7.427 -2.258 -1.813 1.00 10.00 O ATOM 158 CB ASP A 10 -10.788 -2.569 -2.170 1.00 10.00 C ATOM 159 CG ASP A 10 -10.240 -3.673 -3.079 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.115 -4.794 -2.612 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.958 -3.379 -4.230 1.00 10.00 O ATOM 0 H ASP A 10 -11.327 -0.883 -0.549 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.420 -3.046 -0.539 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.694 -2.912 -1.670 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -11.062 -1.697 -2.764 1.00 10.00 H new ATOM 166 N TRP A 11 -8.562 -0.449 -2.379 1.00 10.00 N ATOM 167 CA TRP A 11 -7.370 0.159 -3.043 1.00 10.00 C ATOM 168 C TRP A 11 -6.319 0.532 -1.990 1.00 10.00 C ATOM 169 O TRP A 11 -5.134 0.363 -2.205 1.00 10.00 O ATOM 170 CB TRP A 11 -7.892 1.409 -3.756 1.00 10.00 C ATOM 171 CG TRP A 11 -6.773 2.044 -4.516 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.301 1.615 -5.708 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.973 3.207 -4.153 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.264 2.441 -6.102 1.00 10.00 N ATOM 175 CE2 TRP A 11 -5.025 3.438 -5.177 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.980 4.075 -3.048 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.115 4.494 -5.106 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.066 5.138 -2.972 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.136 5.346 -3.999 1.00 10.00 C ATOM 0 H TRP A 11 -9.410 0.117 -2.408 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.893 -0.527 -3.743 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.703 1.144 -4.434 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.300 2.113 -3.030 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.673 0.766 -6.262 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.740 2.328 -6.970 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.693 3.923 -2.252 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.400 4.651 -5.900 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.080 5.799 -2.118 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.435 6.165 -3.935 1.00 10.00 H new ATOM 190 N ILE A 12 -6.745 1.025 -0.846 1.00 10.00 N ATOM 191 CA ILE A 12 -5.763 1.388 0.228 1.00 10.00 C ATOM 192 C ILE A 12 -4.921 0.153 0.579 1.00 10.00 C ATOM 193 O ILE A 12 -3.727 0.246 0.795 1.00 10.00 O ATOM 194 CB ILE A 12 -6.613 1.841 1.427 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.140 3.258 1.170 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.759 1.845 2.701 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.299 3.557 2.126 1.00 10.00 C ATOM 0 H ILE A 12 -7.724 1.190 -0.612 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.073 2.175 -0.078 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.448 1.152 1.554 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.341 3.985 1.313 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.475 3.351 0.137 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.368 2.167 3.546 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.380 0.840 2.888 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.921 2.531 2.575 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.672 4.564 1.942 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.101 2.837 1.962 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.950 3.482 3.156 1.00 10.00 H new ATOM 209 N CYS A 13 -5.536 -1.007 0.609 1.00 10.00 N ATOM 210 CA CYS A 13 -4.779 -2.259 0.913 1.00 10.00 C ATOM 211 C CYS A 13 -3.850 -2.591 -0.266 1.00 10.00 C ATOM 212 O CYS A 13 -2.736 -3.048 -0.081 1.00 10.00 O ATOM 213 CB CYS A 13 -5.851 -3.340 1.086 1.00 10.00 C ATOM 214 SG CYS A 13 -5.063 -4.914 1.510 1.00 10.00 S ATOM 0 H CYS A 13 -6.533 -1.138 0.435 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.155 -2.172 1.802 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.551 -3.050 1.869 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.427 -3.446 0.167 1.00 10.00 H new ATOM 0 HG CYS A 13 -5.974 -5.829 1.658 1.00 10.00 H new ATOM 220 N GLU A 14 -4.303 -2.344 -1.476 1.00 10.00 N ATOM 221 CA GLU A 14 -3.458 -2.617 -2.679 1.00 10.00 C ATOM 222 C GLU A 14 -2.174 -1.779 -2.611 1.00 10.00 C ATOM 223 O GLU A 14 -1.107 -2.225 -2.990 1.00 10.00 O ATOM 224 CB GLU A 14 -4.318 -2.193 -3.875 1.00 10.00 C ATOM 225 CG GLU A 14 -4.756 -3.429 -4.670 1.00 10.00 C ATOM 226 CD GLU A 14 -6.265 -3.370 -4.941 1.00 10.00 C ATOM 227 OE1 GLU A 14 -6.718 -2.368 -5.476 1.00 10.00 O ATOM 228 OE2 GLU A 14 -6.943 -4.331 -4.612 1.00 10.00 O ATOM 0 H GLU A 14 -5.227 -1.963 -1.679 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.157 -3.662 -2.750 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.194 -1.645 -3.528 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.754 -1.518 -4.518 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.210 -3.478 -5.612 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.513 -4.334 -4.114 1.00 10.00 H new ATOM 235 N VAL A 15 -2.275 -0.575 -2.112 1.00 10.00 N ATOM 236 CA VAL A 15 -1.068 0.303 -1.990 1.00 10.00 C ATOM 237 C VAL A 15 -0.280 -0.067 -0.723 1.00 10.00 C ATOM 238 O VAL A 15 0.933 0.012 -0.696 1.00 10.00 O ATOM 239 CB VAL A 15 -1.612 1.736 -1.886 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.445 2.725 -1.797 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.456 2.062 -3.123 1.00 10.00 C ATOM 0 H VAL A 15 -3.145 -0.158 -1.781 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.391 0.192 -2.837 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.230 1.818 -0.992 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.834 3.741 -1.723 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.155 2.501 -0.915 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.175 2.638 -2.689 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.839 3.079 -3.044 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.839 1.975 -4.018 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.291 1.364 -3.188 1.00 10.00 H new ATOM 251 N LEU A 16 -0.970 -0.469 0.324 1.00 10.00 N ATOM 252 CA LEU A 16 -0.280 -0.849 1.598 1.00 10.00 C ATOM 253 C LEU A 16 0.740 -1.968 1.349 1.00 10.00 C ATOM 254 O LEU A 16 1.852 -1.918 1.840 1.00 10.00 O ATOM 255 CB LEU A 16 -1.396 -1.336 2.528 1.00 10.00 C ATOM 256 CG LEU A 16 -0.850 -1.508 3.950 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.541 -0.515 4.889 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.122 -2.935 4.431 1.00 10.00 C ATOM 0 H LEU A 16 -1.987 -0.549 0.347 1.00 10.00 H new ATOM 0 HA LEU A 16 0.273 -0.013 2.026 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.219 -0.621 2.529 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.797 -2.283 2.166 1.00 10.00 H new ATOM 0 HG LEU A 16 0.224 -1.321 3.950 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.152 -0.639 5.900 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.349 0.502 4.548 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.615 -0.701 4.889 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.734 -3.058 5.442 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.196 -3.121 4.429 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.630 -3.644 3.765 1.00 10.00 H new ATOM 270 N SER A 17 0.373 -2.970 0.584 1.00 10.00 N ATOM 271 CA SER A 17 1.331 -4.086 0.297 1.00 10.00 C ATOM 272 C SER A 17 2.560 -3.537 -0.437 1.00 10.00 C ATOM 273 O SER A 17 3.685 -3.868 -0.108 1.00 10.00 O ATOM 274 CB SER A 17 0.563 -5.075 -0.586 1.00 10.00 C ATOM 275 OG SER A 17 0.001 -4.389 -1.697 1.00 10.00 O ATOM 0 H SER A 17 -0.544 -3.063 0.148 1.00 10.00 H new ATOM 0 HA SER A 17 1.688 -4.568 1.207 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.232 -5.863 -0.933 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.225 -5.558 -0.008 1.00 10.00 H new ATOM 0 HG SER A 17 -0.488 -5.024 -2.260 1.00 10.00 H new ATOM 281 N ASP A 18 2.352 -2.685 -1.414 1.00 10.00 N ATOM 282 CA ASP A 18 3.510 -2.095 -2.154 1.00 10.00 C ATOM 283 C ASP A 18 4.292 -1.164 -1.221 1.00 10.00 C ATOM 284 O ASP A 18 5.505 -1.123 -1.255 1.00 10.00 O ATOM 285 CB ASP A 18 2.899 -1.312 -3.319 1.00 10.00 C ATOM 286 CG ASP A 18 4.006 -0.577 -4.084 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.902 -1.242 -4.581 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.938 0.638 -4.160 1.00 10.00 O ATOM 0 H ASP A 18 1.433 -2.375 -1.729 1.00 10.00 H new ATOM 0 HA ASP A 18 4.205 -2.854 -2.513 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.370 -1.991 -3.988 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.166 -0.597 -2.945 1.00 10.00 H new ATOM 293 N PHE A 19 3.600 -0.431 -0.376 1.00 10.00 N ATOM 294 CA PHE A 19 4.300 0.482 0.582 1.00 10.00 C ATOM 295 C PHE A 19 5.323 -0.321 1.389 1.00 10.00 C ATOM 296 O PHE A 19 6.430 0.123 1.624 1.00 10.00 O ATOM 297 CB PHE A 19 3.203 1.025 1.504 1.00 10.00 C ATOM 298 CG PHE A 19 3.377 2.516 1.680 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.522 3.017 2.310 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.392 3.396 1.216 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.683 4.398 2.475 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.553 4.777 1.381 1.00 10.00 C ATOM 303 CZ PHE A 19 3.699 5.278 2.010 1.00 10.00 C ATOM 0 H PHE A 19 2.582 -0.427 -0.310 1.00 10.00 H new ATOM 0 HA PHE A 19 4.832 1.288 0.077 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.221 0.811 1.082 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.249 0.527 2.472 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.281 2.338 2.669 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.508 3.010 0.731 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.567 4.784 2.961 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.793 5.456 1.023 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.824 6.343 2.136 1.00 10.00 H new ATOM 313 N LYS A 20 4.957 -1.515 1.794 1.00 10.00 N ATOM 314 CA LYS A 20 5.901 -2.378 2.566 1.00 10.00 C ATOM 315 C LYS A 20 7.132 -2.682 1.703 1.00 10.00 C ATOM 316 O LYS A 20 8.259 -2.579 2.154 1.00 10.00 O ATOM 317 CB LYS A 20 5.116 -3.659 2.868 1.00 10.00 C ATOM 318 CG LYS A 20 5.869 -4.496 3.905 1.00 10.00 C ATOM 319 CD LYS A 20 4.867 -5.296 4.742 1.00 10.00 C ATOM 320 CE LYS A 20 5.601 -6.397 5.517 1.00 10.00 C ATOM 321 NZ LYS A 20 5.402 -7.641 4.717 1.00 10.00 N ATOM 0 H LYS A 20 4.041 -1.928 1.621 1.00 10.00 H new ATOM 0 HA LYS A 20 6.255 -1.904 3.482 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.123 -3.408 3.241 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.977 -4.235 1.953 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.564 -5.172 3.407 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.462 -3.848 4.550 1.00 10.00 H new ATOM 0 HD2 LYS A 20 4.348 -4.634 5.436 1.00 10.00 H new ATOM 0 HD3 LYS A 20 4.109 -5.737 4.095 1.00 10.00 H new ATOM 0 HE2 LYS A 20 6.660 -6.163 5.624 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.196 -6.507 6.523 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.878 -8.437 5.188 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.385 -7.844 4.638 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.804 -7.511 3.767 1.00 10.00 H new ATOM 335 N THR A 21 6.923 -3.038 0.454 1.00 10.00 N ATOM 336 CA THR A 21 8.080 -3.328 -0.450 1.00 10.00 C ATOM 337 C THR A 21 8.853 -2.036 -0.725 1.00 10.00 C ATOM 338 O THR A 21 10.068 -2.032 -0.771 1.00 10.00 O ATOM 339 CB THR A 21 7.462 -3.873 -1.747 1.00 10.00 C ATOM 340 OG1 THR A 21 6.472 -4.849 -1.439 1.00 10.00 O ATOM 341 CG2 THR A 21 8.553 -4.510 -2.613 1.00 10.00 C ATOM 0 H THR A 21 6.003 -3.139 0.025 1.00 10.00 H new ATOM 0 HA THR A 21 8.779 -4.041 -0.012 1.00 10.00 H new ATOM 0 HB THR A 21 7.000 -3.050 -2.292 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.081 -5.191 -2.270 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.110 -4.895 -3.531 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.306 -3.761 -2.859 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.021 -5.328 -2.065 1.00 10.00 H new ATOM 349 N TRP A 22 8.154 -0.936 -0.892 1.00 10.00 N ATOM 350 CA TRP A 22 8.837 0.369 -1.147 1.00 10.00 C ATOM 351 C TRP A 22 9.830 0.659 -0.020 1.00 10.00 C ATOM 352 O TRP A 22 10.975 0.993 -0.260 1.00 10.00 O ATOM 353 CB TRP A 22 7.718 1.411 -1.146 1.00 10.00 C ATOM 354 CG TRP A 22 8.184 2.648 -1.845 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.963 2.936 -3.147 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.948 3.761 -1.301 1.00 10.00 C ATOM 357 NE1 TRP A 22 8.543 4.158 -3.437 1.00 10.00 N ATOM 358 CE2 TRP A 22 9.162 4.707 -2.331 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.469 4.040 -0.024 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.869 5.887 -2.103 1.00 10.00 C ATOM 361 CZ3 TRP A 22 10.182 5.227 0.209 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.382 6.149 -0.829 1.00 10.00 C ATOM 0 H TRP A 22 7.136 -0.889 -0.862 1.00 10.00 H new ATOM 0 HA TRP A 22 9.394 0.371 -2.084 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.834 1.011 -1.643 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.428 1.647 -0.122 1.00 10.00 H new ATOM 0 HD1 TRP A 22 7.423 2.315 -3.846 1.00 10.00 H new ATOM 0 HE1 TRP A 22 8.517 4.600 -4.356 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.320 3.337 0.782 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 10.019 6.594 -2.905 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.579 5.431 1.193 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.932 7.060 -0.644 1.00 10.00 H new ATOM 373 N LEU A 23 9.394 0.521 1.207 1.00 10.00 N ATOM 374 CA LEU A 23 10.302 0.774 2.370 1.00 10.00 C ATOM 375 C LEU A 23 11.499 -0.187 2.325 1.00 10.00 C ATOM 376 O LEU A 23 12.622 0.204 2.578 1.00 10.00 O ATOM 377 CB LEU A 23 9.450 0.518 3.617 1.00 10.00 C ATOM 378 CG LEU A 23 9.066 1.854 4.260 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.856 2.444 3.533 1.00 10.00 C ATOM 380 CD2 LEU A 23 8.712 1.630 5.732 1.00 10.00 C ATOM 0 H LEU A 23 8.445 0.243 1.455 1.00 10.00 H new ATOM 0 HA LEU A 23 10.705 1.787 2.362 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.552 -0.039 3.348 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.004 -0.094 4.329 1.00 10.00 H new ATOM 0 HG LEU A 23 9.907 2.544 4.187 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.584 3.395 3.992 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.105 2.605 2.484 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.016 1.753 3.605 1.00 10.00 H new ATOM 0 HD21 LEU A 23 8.439 2.581 6.189 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.872 0.939 5.803 1.00 10.00 H new ATOM 0 HD23 LEU A 23 9.572 1.211 6.253 1.00 10.00 H new ATOM 392 N LYS A 24 11.267 -1.438 1.994 1.00 10.00 N ATOM 393 CA LYS A 24 12.399 -2.416 1.921 1.00 10.00 C ATOM 394 C LYS A 24 13.307 -2.071 0.733 1.00 10.00 C ATOM 395 O LYS A 24 14.517 -2.171 0.818 1.00 10.00 O ATOM 396 CB LYS A 24 11.741 -3.785 1.722 1.00 10.00 C ATOM 397 CG LYS A 24 12.680 -4.882 2.232 1.00 10.00 C ATOM 398 CD LYS A 24 11.890 -6.177 2.446 1.00 10.00 C ATOM 399 CE LYS A 24 12.203 -7.163 1.317 1.00 10.00 C ATOM 400 NZ LYS A 24 11.454 -8.405 1.664 1.00 10.00 N ATOM 0 H LYS A 24 10.348 -1.821 1.773 1.00 10.00 H new ATOM 0 HA LYS A 24 13.020 -2.399 2.816 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.792 -3.826 2.257 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.519 -3.944 0.667 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.484 -5.049 1.515 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.146 -4.570 3.167 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.148 -6.617 3.409 1.00 10.00 H new ATOM 0 HD3 LYS A 24 10.821 -5.963 2.470 1.00 10.00 H new ATOM 0 HE2 LYS A 24 11.887 -6.769 0.351 1.00 10.00 H new ATOM 0 HE3 LYS A 24 13.274 -7.355 1.248 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.621 -9.127 0.934 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 11.781 -8.762 2.585 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.437 -8.194 1.716 1.00 10.00 H new ATOM 414 N ALA A 25 12.727 -1.653 -0.368 1.00 10.00 N ATOM 415 CA ALA A 25 13.547 -1.284 -1.564 1.00 10.00 C ATOM 416 C ALA A 25 14.437 -0.078 -1.238 1.00 10.00 C ATOM 417 O ALA A 25 15.577 -0.009 -1.658 1.00 10.00 O ATOM 418 CB ALA A 25 12.531 -0.923 -2.652 1.00 10.00 C ATOM 0 H ALA A 25 11.719 -1.552 -0.489 1.00 10.00 H new ATOM 0 HA ALA A 25 14.206 -2.093 -1.879 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.058 -0.640 -3.563 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.893 -1.783 -2.854 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.917 -0.088 -2.314 1.00 10.00 H new ATOM 424 N LYS A 26 13.927 0.867 -0.483 1.00 10.00 N ATOM 425 CA LYS A 26 14.742 2.068 -0.115 1.00 10.00 C ATOM 426 C LYS A 26 15.844 1.682 0.884 1.00 10.00 C ATOM 427 O LYS A 26 16.903 2.281 0.907 1.00 10.00 O ATOM 428 CB LYS A 26 13.752 3.045 0.526 1.00 10.00 C ATOM 429 CG LYS A 26 14.184 4.486 0.233 1.00 10.00 C ATOM 430 CD LYS A 26 14.879 5.077 1.463 1.00 10.00 C ATOM 431 CE LYS A 26 15.144 6.569 1.235 1.00 10.00 C ATOM 432 NZ LYS A 26 16.240 6.923 2.185 1.00 10.00 N ATOM 0 H LYS A 26 12.980 0.858 -0.105 1.00 10.00 H new ATOM 0 HA LYS A 26 15.240 2.505 -0.981 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.749 2.870 0.136 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.709 2.880 1.603 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.859 4.507 -0.623 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.316 5.090 -0.031 1.00 10.00 H new ATOM 0 HD2 LYS A 26 14.256 4.939 2.347 1.00 10.00 H new ATOM 0 HD3 LYS A 26 15.817 4.555 1.649 1.00 10.00 H new ATOM 0 HE2 LYS A 26 15.439 6.763 0.204 1.00 10.00 H new ATOM 0 HE3 LYS A 26 14.250 7.161 1.428 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 16.474 7.931 2.085 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 15.929 6.735 3.159 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 17.081 6.349 1.974 1.00 10.00 H new ATOM 446 N LEU A 27 15.601 0.684 1.705 1.00 10.00 N ATOM 447 CA LEU A 27 16.634 0.254 2.702 1.00 10.00 C ATOM 448 C LEU A 27 17.860 -0.338 1.989 1.00 10.00 C ATOM 449 O LEU A 27 18.961 -0.297 2.506 1.00 10.00 O ATOM 450 CB LEU A 27 15.944 -0.813 3.559 1.00 10.00 C ATOM 451 CG LEU A 27 16.757 -1.053 4.837 1.00 10.00 C ATOM 452 CD1 LEU A 27 15.872 -0.818 6.063 1.00 10.00 C ATOM 453 CD2 LEU A 27 17.273 -2.496 4.851 1.00 10.00 C ATOM 0 H LEU A 27 14.732 0.150 1.727 1.00 10.00 H new ATOM 0 HA LEU A 27 16.994 1.090 3.302 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.934 -0.492 3.814 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.851 -1.742 2.996 1.00 10.00 H new ATOM 0 HG LEU A 27 17.600 -0.363 4.862 1.00 10.00 H new ATOM 0 HD11 LEU A 27 16.453 -0.989 6.969 1.00 10.00 H new ATOM 0 HD12 LEU A 27 15.505 0.208 6.056 1.00 10.00 H new ATOM 0 HD13 LEU A 27 15.026 -1.505 6.039 1.00 10.00 H new ATOM 0 HD21 LEU A 27 17.851 -2.667 5.759 1.00 10.00 H new ATOM 0 HD22 LEU A 27 16.429 -3.185 4.823 1.00 10.00 H new ATOM 0 HD23 LEU A 27 17.907 -2.664 3.980 1.00 10.00 H new ATOM 465 N MET A 28 17.678 -0.889 0.809 1.00 10.00 N ATOM 466 CA MET A 28 18.836 -1.481 0.067 1.00 10.00 C ATOM 467 C MET A 28 19.870 -0.391 -0.262 1.00 10.00 C ATOM 468 O MET A 28 19.528 0.632 -0.826 1.00 10.00 O ATOM 469 CB MET A 28 18.236 -2.061 -1.219 1.00 10.00 C ATOM 470 CG MET A 28 19.310 -2.842 -1.980 1.00 10.00 C ATOM 471 SD MET A 28 18.589 -3.556 -3.480 1.00 10.00 S ATOM 472 CE MET A 28 20.109 -3.602 -4.464 1.00 10.00 C ATOM 0 H MET A 28 16.779 -0.953 0.331 1.00 10.00 H new ATOM 0 HA MET A 28 19.353 -2.242 0.652 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.398 -2.715 -0.978 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.844 -1.258 -1.844 1.00 10.00 H new ATOM 0 HG2 MET A 28 20.138 -2.183 -2.240 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.717 -3.631 -1.348 1.00 10.00 H new ATOM 0 HE1 MET A 28 19.893 -4.016 -5.449 1.00 10.00 H new ATOM 0 HE2 MET A 28 20.502 -2.591 -4.574 1.00 10.00 H new ATOM 0 HE3 MET A 28 20.848 -4.226 -3.962 1.00 10.00 H new ATOM 482 N PRO A 29 21.107 -0.649 0.102 1.00 10.00 N ATOM 483 CA PRO A 29 22.202 0.325 -0.158 1.00 10.00 C ATOM 484 C PRO A 29 22.578 0.353 -1.648 1.00 10.00 C ATOM 485 O PRO A 29 21.938 -0.271 -2.474 1.00 10.00 O ATOM 486 CB PRO A 29 23.361 -0.207 0.682 1.00 10.00 C ATOM 487 CG PRO A 29 23.090 -1.669 0.842 1.00 10.00 C ATOM 488 CD PRO A 29 21.595 -1.855 0.787 1.00 10.00 C ATOM 0 HA PRO A 29 21.924 1.348 0.096 1.00 10.00 H new ATOM 0 HB2 PRO A 29 24.317 -0.035 0.187 1.00 10.00 H new ATOM 0 HB3 PRO A 29 23.408 0.293 1.649 1.00 10.00 H new ATOM 0 HG2 PRO A 29 23.578 -2.239 0.051 1.00 10.00 H new ATOM 0 HG3 PRO A 29 23.488 -2.032 1.789 1.00 10.00 H new ATOM 0 HD2 PRO A 29 21.326 -2.759 0.241 1.00 10.00 H new ATOM 0 HD3 PRO A 29 21.168 -1.946 1.786 1.00 10.00 H new ATOM 496 N GLN A 30 23.617 1.075 -1.988 1.00 10.00 N ATOM 497 CA GLN A 30 24.048 1.153 -3.419 1.00 10.00 C ATOM 498 C GLN A 30 24.924 -0.055 -3.773 1.00 10.00 C ATOM 499 O GLN A 30 26.123 -0.046 -3.561 1.00 10.00 O ATOM 500 CB GLN A 30 24.850 2.454 -3.528 1.00 10.00 C ATOM 501 CG GLN A 30 23.899 3.653 -3.468 1.00 10.00 C ATOM 502 CD GLN A 30 24.712 4.945 -3.372 1.00 10.00 C ATOM 503 OE1 GLN A 30 24.858 5.657 -4.344 1.00 10.00 O ATOM 504 NE2 GLN A 30 25.253 5.282 -2.233 1.00 10.00 N ATOM 0 H GLN A 30 24.186 1.615 -1.336 1.00 10.00 H new ATOM 0 HA GLN A 30 23.201 1.143 -4.106 1.00 10.00 H new ATOM 0 HB2 GLN A 30 25.577 2.513 -2.718 1.00 10.00 H new ATOM 0 HB3 GLN A 30 25.412 2.469 -4.462 1.00 10.00 H new ATOM 0 HG2 GLN A 30 23.267 3.674 -4.356 1.00 10.00 H new ATOM 0 HG3 GLN A 30 23.237 3.563 -2.607 1.00 10.00 H new ATOM 0 HE21 GLN A 30 25.132 4.685 -1.415 1.00 10.00 H new ATOM 0 HE22 GLN A 30 25.797 6.142 -2.161 1.00 10.00 H new ATOM 513 N LEU A 31 24.330 -1.093 -4.307 1.00 10.00 N ATOM 514 CA LEU A 31 25.118 -2.310 -4.676 1.00 10.00 C ATOM 515 C LEU A 31 24.997 -2.589 -6.180 1.00 10.00 C ATOM 516 O LEU A 31 23.893 -2.507 -6.696 1.00 10.00 O ATOM 517 CB LEU A 31 24.494 -3.452 -3.863 1.00 10.00 C ATOM 518 CG LEU A 31 25.482 -3.939 -2.793 1.00 10.00 C ATOM 519 CD1 LEU A 31 26.769 -4.433 -3.459 1.00 10.00 C ATOM 520 CD2 LEU A 31 25.810 -2.792 -1.832 1.00 10.00 C ATOM 521 OXT LEU A 31 26.012 -2.882 -6.790 1.00 10.00 O ATOM 0 H LEU A 31 23.331 -1.150 -4.504 1.00 10.00 H new ATOM 0 HA LEU A 31 26.180 -2.192 -4.462 1.00 10.00 H new ATOM 0 HB2 LEU A 31 23.573 -3.111 -3.390 1.00 10.00 H new ATOM 0 HB3 LEU A 31 24.227 -4.276 -4.525 1.00 10.00 H new ATOM 0 HG LEU A 31 25.028 -4.759 -2.236 1.00 10.00 H new ATOM 0 HD11 LEU A 31 27.465 -4.777 -2.694 1.00 10.00 H new ATOM 0 HD12 LEU A 31 26.536 -5.256 -4.135 1.00 10.00 H new ATOM 0 HD13 LEU A 31 27.223 -3.618 -4.023 1.00 10.00 H new ATOM 0 HD21 LEU A 31 26.511 -3.141 -1.074 1.00 10.00 H new ATOM 0 HD22 LEU A 31 26.257 -1.968 -2.388 1.00 10.00 H new ATOM 0 HD23 LEU A 31 24.895 -2.449 -1.349 1.00 10.00 H new TER 533 LEU A 31