USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 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+ -109:sc= 0.0785 (180deg=0) USER MOD Single : A 1 SER OG : rot 160:sc=-0.00183 USER MOD Single : A 3 SER OG : rot 180:sc= 0.041 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00919 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.237 (180deg=-0.645) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 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 -18.401 8.795 -6.927 1.00 10.00 N ATOM 2 CA SER A 1 -19.406 7.832 -6.383 1.00 10.00 C ATOM 3 C SER A 1 -19.814 8.233 -4.959 1.00 10.00 C ATOM 4 O SER A 1 -19.118 8.976 -4.290 1.00 10.00 O ATOM 5 CB SER A 1 -18.698 6.475 -6.378 1.00 10.00 C ATOM 6 OG SER A 1 -19.534 5.504 -5.757 1.00 10.00 O ATOM 0 H1 SER A 1 -18.842 9.375 -7.669 1.00 10.00 H new ATOM 0 H2 SER A 1 -18.062 9.412 -6.162 1.00 10.00 H new ATOM 0 H3 SER A 1 -17.599 8.269 -7.329 1.00 10.00 H new ATOM 0 HA SER A 1 -20.319 7.812 -6.979 1.00 10.00 H new ATOM 0 HB2 SER A 1 -18.466 6.171 -7.399 1.00 10.00 H new ATOM 0 HB3 SER A 1 -17.751 6.549 -5.844 1.00 10.00 H new ATOM 0 HG SER A 1 -19.249 4.606 -6.027 1.00 10.00 H new ATOM 14 N GLY A 2 -20.935 7.740 -4.493 1.00 10.00 N ATOM 15 CA GLY A 2 -21.396 8.078 -3.112 1.00 10.00 C ATOM 16 C GLY A 2 -20.871 7.029 -2.128 1.00 10.00 C ATOM 17 O GLY A 2 -20.296 7.359 -1.109 1.00 10.00 O ATOM 0 H GLY A 2 -21.552 7.116 -5.012 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -21.038 9.068 -2.830 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.485 8.111 -3.078 1.00 10.00 H new ATOM 21 N SER A 3 -21.063 5.767 -2.429 1.00 10.00 N ATOM 22 CA SER A 3 -20.573 4.689 -1.517 1.00 10.00 C ATOM 23 C SER A 3 -19.176 4.220 -1.953 1.00 10.00 C ATOM 24 O SER A 3 -18.945 3.045 -2.172 1.00 10.00 O ATOM 25 CB SER A 3 -21.594 3.555 -1.655 1.00 10.00 C ATOM 26 OG SER A 3 -21.738 3.212 -3.029 1.00 10.00 O ATOM 0 H SER A 3 -21.539 5.438 -3.269 1.00 10.00 H new ATOM 0 HA SER A 3 -20.484 5.029 -0.485 1.00 10.00 H new ATOM 0 HB2 SER A 3 -21.268 2.686 -1.084 1.00 10.00 H new ATOM 0 HB3 SER A 3 -22.555 3.864 -1.243 1.00 10.00 H new ATOM 0 HG SER A 3 -22.390 2.485 -3.118 1.00 10.00 H new ATOM 32 N TRP A 4 -18.245 5.134 -2.077 1.00 10.00 N ATOM 33 CA TRP A 4 -16.861 4.750 -2.499 1.00 10.00 C ATOM 34 C TRP A 4 -15.952 4.547 -1.276 1.00 10.00 C ATOM 35 O TRP A 4 -14.865 4.015 -1.395 1.00 10.00 O ATOM 36 CB TRP A 4 -16.364 5.923 -3.353 1.00 10.00 C ATOM 37 CG TRP A 4 -15.708 5.400 -4.594 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.285 4.561 -5.487 1.00 10.00 C ATOM 39 CD2 TRP A 4 -14.364 5.666 -5.093 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.384 4.299 -6.502 1.00 10.00 N ATOM 41 CE2 TRP A 4 -14.185 4.956 -6.304 1.00 10.00 C ATOM 42 CE3 TRP A 4 -13.296 6.449 -4.620 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -12.988 5.017 -7.018 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -12.089 6.513 -5.336 1.00 10.00 C ATOM 45 CH2 TRP A 4 -11.935 5.799 -6.533 1.00 10.00 C ATOM 0 H TRP A 4 -18.383 6.130 -1.904 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.851 3.809 -3.050 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -17.198 6.573 -3.617 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -15.658 6.527 -2.783 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.286 4.162 -5.417 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -15.580 3.694 -7.300 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -13.404 7.005 -3.700 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -12.875 4.464 -7.939 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -11.275 7.116 -4.962 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -11.005 5.853 -7.079 1.00 10.00 H new ATOM 56 N LEU A 5 -16.384 4.962 -0.104 1.00 10.00 N ATOM 57 CA LEU A 5 -15.538 4.784 1.121 1.00 10.00 C ATOM 58 C LEU A 5 -15.229 3.296 1.344 1.00 10.00 C ATOM 59 O LEU A 5 -14.152 2.941 1.786 1.00 10.00 O ATOM 60 CB LEU A 5 -16.375 5.340 2.278 1.00 10.00 C ATOM 61 CG LEU A 5 -16.325 6.871 2.257 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.605 7.433 2.880 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.115 7.354 3.061 1.00 10.00 C ATOM 0 H LEU A 5 -17.284 5.415 0.055 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.580 5.297 1.033 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.406 4.998 2.191 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -15.994 4.966 3.228 1.00 10.00 H new ATOM 0 HG LEU A 5 -16.239 7.216 1.227 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -17.569 8.522 2.865 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -18.468 7.090 2.309 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.691 7.087 3.910 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -15.079 8.443 3.046 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -15.201 7.008 4.091 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -14.202 6.955 2.619 1.00 10.00 H new ATOM 75 N ARG A 6 -16.155 2.426 1.023 1.00 10.00 N ATOM 76 CA ARG A 6 -15.902 0.961 1.194 1.00 10.00 C ATOM 77 C ARG A 6 -15.021 0.461 0.042 1.00 10.00 C ATOM 78 O ARG A 6 -14.178 -0.399 0.221 1.00 10.00 O ATOM 79 CB ARG A 6 -17.286 0.301 1.146 1.00 10.00 C ATOM 80 CG ARG A 6 -17.402 -0.737 2.266 1.00 10.00 C ATOM 81 CD ARG A 6 -17.745 -0.033 3.583 1.00 10.00 C ATOM 82 NE ARG A 6 -18.346 -1.093 4.442 1.00 10.00 N ATOM 83 CZ ARG A 6 -19.633 -1.102 4.666 1.00 10.00 C ATOM 84 NH1 ARG A 6 -20.132 -0.367 5.626 1.00 10.00 N ATOM 85 NH2 ARG A 6 -20.419 -1.843 3.930 1.00 10.00 N ATOM 0 H ARG A 6 -17.074 2.666 0.651 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.386 0.729 2.126 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -18.064 1.057 1.255 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.439 -0.176 0.178 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -18.173 -1.468 2.021 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.465 -1.284 2.367 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -16.855 0.393 4.046 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.444 0.788 3.421 1.00 10.00 H new ATOM 0 HE ARG A 6 -17.752 -1.812 4.855 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.517 0.212 6.198 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -21.137 -0.372 5.803 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -20.027 -2.414 3.181 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -21.424 -1.850 4.105 1.00 10.00 H new ATOM 99 N ASP A 7 -15.212 1.006 -1.136 1.00 10.00 N ATOM 100 CA ASP A 7 -14.394 0.588 -2.317 1.00 10.00 C ATOM 101 C ASP A 7 -12.942 1.073 -2.169 1.00 10.00 C ATOM 102 O ASP A 7 -12.013 0.384 -2.545 1.00 10.00 O ATOM 103 CB ASP A 7 -15.068 1.261 -3.519 1.00 10.00 C ATOM 104 CG ASP A 7 -14.306 0.915 -4.803 1.00 10.00 C ATOM 105 OD1 ASP A 7 -14.264 -0.253 -5.149 1.00 10.00 O ATOM 106 OD2 ASP A 7 -13.782 1.828 -5.422 1.00 10.00 O ATOM 0 H ASP A 7 -15.905 1.728 -1.330 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.350 -0.496 -2.424 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -16.103 0.930 -3.599 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -15.089 2.342 -3.378 1.00 10.00 H new ATOM 111 N ILE A 8 -12.742 2.253 -1.626 1.00 10.00 N ATOM 112 CA ILE A 8 -11.350 2.782 -1.459 1.00 10.00 C ATOM 113 C ILE A 8 -10.521 1.861 -0.546 1.00 10.00 C ATOM 114 O ILE A 8 -9.309 1.824 -0.642 1.00 10.00 O ATOM 115 CB ILE A 8 -11.510 4.184 -0.839 1.00 10.00 C ATOM 116 CG1 ILE A 8 -10.280 5.033 -1.181 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.644 4.085 0.685 1.00 10.00 C ATOM 118 CD1 ILE A 8 -10.464 5.678 -2.557 1.00 10.00 C ATOM 0 H ILE A 8 -13.482 2.871 -1.292 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.819 2.827 -2.410 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.410 4.646 -1.244 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -10.136 5.804 -0.424 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -9.385 4.411 -1.177 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.756 5.084 1.106 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -12.519 3.486 0.935 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.752 3.615 1.099 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -9.588 6.281 -2.796 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -10.586 4.900 -3.310 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -11.349 6.314 -2.545 1.00 10.00 H new ATOM 130 N TRP A 9 -11.161 1.121 0.335 1.00 10.00 N ATOM 131 CA TRP A 9 -10.401 0.210 1.248 1.00 10.00 C ATOM 132 C TRP A 9 -9.566 -0.789 0.436 1.00 10.00 C ATOM 133 O TRP A 9 -8.421 -1.050 0.759 1.00 10.00 O ATOM 134 CB TRP A 9 -11.460 -0.522 2.080 1.00 10.00 C ATOM 135 CG TRP A 9 -10.783 -1.329 3.145 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.050 -2.625 3.426 1.00 10.00 C ATOM 137 CD2 TRP A 9 -9.730 -0.919 4.068 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.229 -3.037 4.461 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.398 -2.021 4.890 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.037 0.289 4.268 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -8.414 -1.928 5.875 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.048 0.386 5.258 1.00 10.00 C ATOM 143 CH2 TRP A 9 -7.736 -0.720 6.061 1.00 10.00 C ATOM 0 H TRP A 9 -12.173 1.111 0.458 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.706 0.762 1.881 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.144 0.196 2.532 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.057 -1.172 1.440 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -11.784 -3.238 2.924 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.237 -3.976 4.858 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.268 1.148 3.655 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -8.178 -2.784 6.490 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -7.523 1.319 5.403 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -6.974 -0.639 6.822 1.00 10.00 H new ATOM 154 N ASP A 10 -10.120 -1.335 -0.621 1.00 10.00 N ATOM 155 CA ASP A 10 -9.344 -2.302 -1.459 1.00 10.00 C ATOM 156 C ASP A 10 -8.125 -1.590 -2.057 1.00 10.00 C ATOM 157 O ASP A 10 -7.019 -2.091 -1.999 1.00 10.00 O ATOM 158 CB ASP A 10 -10.312 -2.757 -2.559 1.00 10.00 C ATOM 159 CG ASP A 10 -9.543 -3.501 -3.658 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.865 -4.465 -3.337 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.649 -3.094 -4.804 1.00 10.00 O ATOM 0 H ASP A 10 -11.072 -1.153 -0.938 1.00 10.00 H new ATOM 0 HA ASP A 10 -8.974 -3.153 -0.887 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.078 -3.407 -2.135 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.825 -1.894 -2.983 1.00 10.00 H new ATOM 166 N TRP A 11 -8.320 -0.417 -2.614 1.00 10.00 N ATOM 167 CA TRP A 11 -7.172 0.345 -3.199 1.00 10.00 C ATOM 168 C TRP A 11 -6.123 0.613 -2.112 1.00 10.00 C ATOM 169 O TRP A 11 -4.935 0.497 -2.344 1.00 10.00 O ATOM 170 CB TRP A 11 -7.781 1.658 -3.709 1.00 10.00 C ATOM 171 CG TRP A 11 -6.711 2.523 -4.297 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.343 2.527 -5.598 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.872 3.510 -3.630 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.330 3.453 -5.773 1.00 10.00 N ATOM 175 CE2 TRP A 11 -5.004 4.085 -4.589 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.779 3.958 -2.301 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.079 5.070 -4.241 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.849 4.948 -1.946 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.000 5.503 -2.915 1.00 10.00 C ATOM 0 H TRP A 11 -9.226 0.045 -2.688 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.671 -0.199 -4.000 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.543 1.448 -4.459 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.275 2.182 -2.890 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.770 1.909 -6.374 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.879 3.645 -6.667 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.428 3.537 -1.547 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.429 5.495 -4.991 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.787 5.284 -0.921 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.286 6.264 -2.636 1.00 10.00 H new ATOM 190 N ILE A 12 -6.559 0.951 -0.921 1.00 10.00 N ATOM 191 CA ILE A 12 -5.595 1.205 0.193 1.00 10.00 C ATOM 192 C ILE A 12 -4.809 -0.082 0.490 1.00 10.00 C ATOM 193 O ILE A 12 -3.634 -0.041 0.795 1.00 10.00 O ATOM 194 CB ILE A 12 -6.463 1.616 1.392 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.011 3.028 1.162 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.623 1.604 2.675 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.272 3.233 2.005 1.00 10.00 C ATOM 0 H ILE A 12 -7.542 1.062 -0.674 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.865 1.978 -0.046 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.287 0.910 1.495 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.258 3.769 1.430 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.240 3.173 0.106 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.246 1.897 3.520 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.230 0.601 2.843 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.795 2.306 2.574 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.660 4.238 1.840 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.026 2.501 1.716 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.029 3.107 3.060 1.00 10.00 H new ATOM 209 N CYS A 13 -5.455 -1.222 0.382 1.00 10.00 N ATOM 210 CA CYS A 13 -4.753 -2.518 0.636 1.00 10.00 C ATOM 211 C CYS A 13 -3.726 -2.785 -0.474 1.00 10.00 C ATOM 212 O CYS A 13 -2.629 -3.248 -0.214 1.00 10.00 O ATOM 213 CB CYS A 13 -5.855 -3.582 0.621 1.00 10.00 C ATOM 214 SG CYS A 13 -5.328 -5.013 1.597 1.00 10.00 S ATOM 0 H CYS A 13 -6.439 -1.308 0.128 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.209 -2.516 1.580 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.778 -3.170 1.029 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.067 -3.886 -0.404 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.264 -5.915 1.586 1.00 10.00 H new ATOM 220 N GLU A 14 -4.069 -2.479 -1.707 1.00 10.00 N ATOM 221 CA GLU A 14 -3.111 -2.698 -2.835 1.00 10.00 C ATOM 222 C GLU A 14 -1.864 -1.830 -2.631 1.00 10.00 C ATOM 223 O GLU A 14 -0.753 -2.243 -2.903 1.00 10.00 O ATOM 224 CB GLU A 14 -3.869 -2.270 -4.094 1.00 10.00 C ATOM 225 CG GLU A 14 -4.343 -3.512 -4.857 1.00 10.00 C ATOM 226 CD GLU A 14 -3.240 -3.986 -5.806 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.333 -4.660 -5.343 1.00 10.00 O ATOM 228 OE2 GLU A 14 -3.320 -3.671 -6.982 1.00 10.00 O ATOM 0 H GLU A 14 -4.971 -2.087 -1.977 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.775 -3.733 -2.902 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.723 -1.650 -3.823 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.224 -1.664 -4.730 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.599 -4.306 -4.155 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.247 -3.281 -5.421 1.00 10.00 H new ATOM 235 N VAL A 15 -2.050 -0.638 -2.130 1.00 10.00 N ATOM 236 CA VAL A 15 -0.888 0.266 -1.873 1.00 10.00 C ATOM 237 C VAL A 15 -0.199 -0.152 -0.565 1.00 10.00 C ATOM 238 O VAL A 15 0.998 -0.009 -0.414 1.00 10.00 O ATOM 239 CB VAL A 15 -1.485 1.676 -1.747 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.362 2.692 -1.510 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.233 2.041 -3.035 1.00 10.00 C ATOM 0 H VAL A 15 -2.961 -0.249 -1.886 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.141 0.224 -2.666 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.179 1.695 -0.907 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.788 3.691 -1.421 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.168 2.441 -0.591 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.334 2.668 -2.349 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.654 3.042 -2.940 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.541 2.017 -3.877 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.036 1.324 -3.205 1.00 10.00 H new ATOM 251 N LEU A 16 -0.955 -0.675 0.377 1.00 10.00 N ATOM 252 CA LEU A 16 -0.359 -1.115 1.680 1.00 10.00 C ATOM 253 C LEU A 16 0.710 -2.189 1.442 1.00 10.00 C ATOM 254 O LEU A 16 1.790 -2.131 2.003 1.00 10.00 O ATOM 255 CB LEU A 16 -1.528 -1.697 2.489 1.00 10.00 C ATOM 256 CG LEU A 16 -1.479 -1.182 3.933 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.114 -1.500 4.551 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.709 0.334 3.947 1.00 10.00 C ATOM 0 H LEU A 16 -1.962 -0.815 0.297 1.00 10.00 H new ATOM 0 HA LEU A 16 0.126 -0.290 2.203 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.475 -1.417 2.027 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.479 -2.786 2.481 1.00 10.00 H new ATOM 0 HG LEU A 16 -2.260 -1.672 4.515 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.084 -1.132 5.577 1.00 10.00 H new ATOM 0 HD12 LEU A 16 0.045 -2.578 4.548 1.00 10.00 H new ATOM 0 HD13 LEU A 16 0.670 -1.016 3.969 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.674 0.698 4.974 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -0.932 0.825 3.361 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.685 0.558 3.516 1.00 10.00 H new ATOM 270 N SER A 17 0.423 -3.163 0.609 1.00 10.00 N ATOM 271 CA SER A 17 1.432 -4.231 0.328 1.00 10.00 C ATOM 272 C SER A 17 2.634 -3.615 -0.394 1.00 10.00 C ATOM 273 O SER A 17 3.773 -3.926 -0.098 1.00 10.00 O ATOM 274 CB SER A 17 0.722 -5.252 -0.568 1.00 10.00 C ATOM 275 OG SER A 17 0.125 -4.585 -1.676 1.00 10.00 O ATOM 0 H SER A 17 -0.463 -3.263 0.114 1.00 10.00 H new ATOM 0 HA SER A 17 1.802 -4.703 1.238 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.434 -5.998 -0.921 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.040 -5.783 0.003 1.00 10.00 H new ATOM 0 HG SER A 17 -0.327 -5.240 -2.248 1.00 10.00 H new ATOM 281 N ASP A 18 2.382 -2.727 -1.327 1.00 10.00 N ATOM 282 CA ASP A 18 3.502 -2.067 -2.061 1.00 10.00 C ATOM 283 C ASP A 18 4.303 -1.189 -1.098 1.00 10.00 C ATOM 284 O ASP A 18 5.514 -1.216 -1.100 1.00 10.00 O ATOM 285 CB ASP A 18 2.835 -1.210 -3.141 1.00 10.00 C ATOM 286 CG ASP A 18 3.910 -0.460 -3.935 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.323 0.600 -3.486 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.303 -0.958 -4.976 1.00 10.00 O ATOM 0 H ASP A 18 1.447 -2.433 -1.610 1.00 10.00 H new ATOM 0 HA ASP A 18 4.193 -2.789 -2.495 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.248 -1.840 -3.809 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.145 -0.501 -2.683 1.00 10.00 H new ATOM 293 N PHE A 19 3.631 -0.422 -0.270 1.00 10.00 N ATOM 294 CA PHE A 19 4.351 0.453 0.707 1.00 10.00 C ATOM 295 C PHE A 19 5.337 -0.385 1.530 1.00 10.00 C ATOM 296 O PHE A 19 6.436 0.045 1.819 1.00 10.00 O ATOM 297 CB PHE A 19 3.258 1.037 1.608 1.00 10.00 C ATOM 298 CG PHE A 19 3.232 2.542 1.466 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.834 3.126 0.257 1.00 10.00 C ATOM 300 CD2 PHE A 19 3.604 3.353 2.545 1.00 10.00 C ATOM 301 CE1 PHE A 19 2.810 4.518 0.126 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.579 4.746 2.414 1.00 10.00 C ATOM 303 CZ PHE A 19 3.182 5.330 1.205 1.00 10.00 C ATOM 0 H PHE A 19 2.613 -0.366 -0.230 1.00 10.00 H new ATOM 0 HA PHE A 19 4.927 1.236 0.214 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.288 0.620 1.337 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.444 0.763 2.646 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.545 2.501 -0.575 1.00 10.00 H new ATOM 0 HD2 PHE A 19 3.910 2.904 3.478 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.505 4.967 -0.807 1.00 10.00 H new ATOM 0 HE2 PHE A 19 3.866 5.371 3.246 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.163 6.405 1.105 1.00 10.00 H new ATOM 313 N LYS A 20 4.953 -1.589 1.891 1.00 10.00 N ATOM 314 CA LYS A 20 5.871 -2.470 2.678 1.00 10.00 C ATOM 315 C LYS A 20 7.121 -2.792 1.851 1.00 10.00 C ATOM 316 O LYS A 20 8.223 -2.807 2.364 1.00 10.00 O ATOM 317 CB LYS A 20 5.071 -3.746 2.962 1.00 10.00 C ATOM 318 CG LYS A 20 5.106 -4.051 4.464 1.00 10.00 C ATOM 319 CD LYS A 20 3.959 -3.315 5.165 1.00 10.00 C ATOM 320 CE LYS A 20 2.811 -4.292 5.450 1.00 10.00 C ATOM 321 NZ LYS A 20 2.225 -4.614 4.116 1.00 10.00 N ATOM 0 H LYS A 20 4.044 -1.997 1.674 1.00 10.00 H new ATOM 0 HA LYS A 20 6.206 -1.995 3.600 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.040 -3.623 2.630 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.489 -4.582 2.401 1.00 10.00 H new ATOM 0 HG2 LYS A 20 5.017 -5.125 4.629 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.062 -3.741 4.886 1.00 10.00 H new ATOM 0 HD2 LYS A 20 4.313 -2.874 6.097 1.00 10.00 H new ATOM 0 HD3 LYS A 20 3.605 -2.496 4.540 1.00 10.00 H new ATOM 0 HE2 LYS A 20 3.175 -5.191 5.947 1.00 10.00 H new ATOM 0 HE3 LYS A 20 2.067 -3.843 6.108 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 1.303 -5.078 4.245 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 2.098 -3.737 3.572 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 2.865 -5.252 3.601 1.00 10.00 H new ATOM 335 N THR A 21 6.960 -3.038 0.571 1.00 10.00 N ATOM 336 CA THR A 21 8.142 -3.345 -0.294 1.00 10.00 C ATOM 337 C THR A 21 8.833 -2.041 -0.705 1.00 10.00 C ATOM 338 O THR A 21 10.044 -1.978 -0.788 1.00 10.00 O ATOM 339 CB THR A 21 7.581 -4.074 -1.522 1.00 10.00 C ATOM 340 OG1 THR A 21 6.583 -5.006 -1.118 1.00 10.00 O ATOM 341 CG2 THR A 21 8.712 -4.817 -2.239 1.00 10.00 C ATOM 0 H THR A 21 6.061 -3.039 0.090 1.00 10.00 H new ATOM 0 HA THR A 21 8.883 -3.956 0.222 1.00 10.00 H new ATOM 0 HB THR A 21 7.138 -3.344 -2.199 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.228 -5.467 -1.906 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.312 -5.334 -3.111 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.472 -4.103 -2.557 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.158 -5.543 -1.560 1.00 10.00 H new ATOM 349 N TRP A 22 8.071 -0.998 -0.945 1.00 10.00 N ATOM 350 CA TRP A 22 8.677 0.313 -1.330 1.00 10.00 C ATOM 351 C TRP A 22 9.671 0.745 -0.253 1.00 10.00 C ATOM 352 O TRP A 22 10.805 1.080 -0.537 1.00 10.00 O ATOM 353 CB TRP A 22 7.503 1.296 -1.393 1.00 10.00 C ATOM 354 CG TRP A 22 7.908 2.513 -2.163 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.635 2.734 -3.470 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.652 3.677 -1.699 1.00 10.00 C ATOM 357 NE1 TRP A 22 8.165 3.959 -3.836 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.800 4.577 -2.779 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.207 4.034 -0.456 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.477 5.790 -2.632 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.887 5.253 -0.305 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.021 6.129 -1.392 1.00 10.00 C ATOM 0 H TRP A 22 7.052 -1.001 -0.890 1.00 10.00 H new ATOM 0 HA TRP A 22 9.213 0.265 -2.278 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.644 0.822 -1.868 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.196 1.576 -0.385 1.00 10.00 H new ATOM 0 HD1 TRP A 22 7.092 2.064 -4.121 1.00 10.00 H new ATOM 0 HE1 TRP A 22 8.095 4.356 -4.773 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.109 3.366 0.387 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.579 6.461 -3.472 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.309 5.518 0.653 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.545 7.065 -1.270 1.00 10.00 H new ATOM 373 N LEU A 23 9.247 0.720 0.987 1.00 10.00 N ATOM 374 CA LEU A 23 10.159 1.110 2.110 1.00 10.00 C ATOM 375 C LEU A 23 11.346 0.140 2.185 1.00 10.00 C ATOM 376 O LEU A 23 12.472 0.543 2.414 1.00 10.00 O ATOM 377 CB LEU A 23 9.303 1.017 3.379 1.00 10.00 C ATOM 378 CG LEU A 23 8.497 2.309 3.551 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.340 2.066 4.525 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.405 3.409 4.107 1.00 10.00 C ATOM 0 H LEU A 23 8.307 0.446 1.271 1.00 10.00 H new ATOM 0 HA LEU A 23 10.572 2.110 1.977 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.630 0.162 3.314 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.940 0.855 4.249 1.00 10.00 H new ATOM 0 HG LEU A 23 8.100 2.618 2.584 1.00 10.00 H new ATOM 0 HD11 LEU A 23 6.768 2.986 4.647 1.00 10.00 H new ATOM 0 HD12 LEU A 23 6.691 1.284 4.131 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.737 1.755 5.491 1.00 10.00 H new ATOM 0 HD21 LEU A 23 8.831 4.328 4.229 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.803 3.099 5.073 1.00 10.00 H new ATOM 0 HD23 LEU A 23 10.229 3.585 3.415 1.00 10.00 H new ATOM 392 N LYS A 24 11.104 -1.135 1.976 1.00 10.00 N ATOM 393 CA LYS A 24 12.221 -2.131 2.019 1.00 10.00 C ATOM 394 C LYS A 24 13.195 -1.871 0.863 1.00 10.00 C ATOM 395 O LYS A 24 14.397 -1.974 1.020 1.00 10.00 O ATOM 396 CB LYS A 24 11.550 -3.501 1.859 1.00 10.00 C ATOM 397 CG LYS A 24 11.303 -4.118 3.239 1.00 10.00 C ATOM 398 CD LYS A 24 12.291 -5.266 3.476 1.00 10.00 C ATOM 399 CE LYS A 24 13.117 -4.986 4.738 1.00 10.00 C ATOM 400 NZ LYS A 24 12.741 -6.063 5.700 1.00 10.00 N ATOM 0 H LYS A 24 10.183 -1.526 1.778 1.00 10.00 H new ATOM 0 HA LYS A 24 12.794 -2.070 2.945 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.607 -3.395 1.323 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.182 -4.159 1.263 1.00 10.00 H new ATOM 0 HG2 LYS A 24 11.419 -3.360 4.013 1.00 10.00 H new ATOM 0 HG3 LYS A 24 10.279 -4.487 3.305 1.00 10.00 H new ATOM 0 HD2 LYS A 24 11.751 -6.207 3.585 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.950 -5.375 2.615 1.00 10.00 H new ATOM 0 HE2 LYS A 24 14.185 -5.007 4.522 1.00 10.00 H new ATOM 0 HE3 LYS A 24 12.893 -4.000 5.144 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 13.268 -5.935 6.587 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 11.720 -6.015 5.893 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 12.972 -6.991 5.290 1.00 10.00 H new ATOM 414 N ALA A 25 12.682 -1.524 -0.293 1.00 10.00 N ATOM 415 CA ALA A 25 13.571 -1.242 -1.464 1.00 10.00 C ATOM 416 C ALA A 25 14.417 0.012 -1.201 1.00 10.00 C ATOM 417 O ALA A 25 15.578 0.069 -1.557 1.00 10.00 O ATOM 418 CB ALA A 25 12.621 -1.013 -2.642 1.00 10.00 C ATOM 0 H ALA A 25 11.684 -1.424 -0.476 1.00 10.00 H new ATOM 0 HA ALA A 25 14.267 -2.058 -1.657 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.200 -0.800 -3.540 1.00 10.00 H new ATOM 0 HB2 ALA A 25 12.018 -1.907 -2.803 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.967 -0.169 -2.423 1.00 10.00 H new ATOM 424 N LYS A 26 13.842 1.015 -0.577 1.00 10.00 N ATOM 425 CA LYS A 26 14.611 2.266 -0.285 1.00 10.00 C ATOM 426 C LYS A 26 15.640 2.016 0.831 1.00 10.00 C ATOM 427 O LYS A 26 16.709 2.598 0.837 1.00 10.00 O ATOM 428 CB LYS A 26 13.561 3.288 0.166 1.00 10.00 C ATOM 429 CG LYS A 26 13.972 4.692 -0.293 1.00 10.00 C ATOM 430 CD LYS A 26 14.650 5.434 0.862 1.00 10.00 C ATOM 431 CE LYS A 26 14.742 6.928 0.531 1.00 10.00 C ATOM 432 NZ LYS A 26 16.002 7.397 1.181 1.00 10.00 N ATOM 0 H LYS A 26 12.873 1.020 -0.258 1.00 10.00 H new ATOM 0 HA LYS A 26 15.169 2.615 -1.154 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.587 3.030 -0.250 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.460 3.265 1.251 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.651 4.623 -1.143 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.096 5.246 -0.630 1.00 10.00 H new ATOM 0 HD2 LYS A 26 14.084 5.289 1.782 1.00 10.00 H new ATOM 0 HD3 LYS A 26 15.647 5.027 1.033 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.770 7.091 -0.546 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.877 7.470 0.913 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 16.131 8.412 0.997 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 15.944 7.236 2.207 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 16.810 6.870 0.793 1.00 10.00 H new ATOM 446 N LEU A 27 15.324 1.159 1.773 1.00 10.00 N ATOM 447 CA LEU A 27 16.283 0.873 2.885 1.00 10.00 C ATOM 448 C LEU A 27 17.247 -0.245 2.474 1.00 10.00 C ATOM 449 O LEU A 27 16.924 -1.417 2.536 1.00 10.00 O ATOM 450 CB LEU A 27 15.411 0.436 4.064 1.00 10.00 C ATOM 451 CG LEU A 27 16.206 0.554 5.368 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.260 2.019 5.808 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.527 -0.280 6.458 1.00 10.00 C ATOM 0 H LEU A 27 14.444 0.646 1.819 1.00 10.00 H new ATOM 0 HA LEU A 27 16.894 1.739 3.138 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.516 1.056 4.116 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.079 -0.592 3.921 1.00 10.00 H new ATOM 0 HG LEU A 27 17.220 0.187 5.206 1.00 10.00 H new ATOM 0 HD11 LEU A 27 16.826 2.100 6.736 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.745 2.614 5.034 1.00 10.00 H new ATOM 0 HD13 LEU A 27 15.247 2.388 5.968 1.00 10.00 H new ATOM 0 HD21 LEU A 27 16.093 -0.196 7.386 1.00 10.00 H new ATOM 0 HD22 LEU A 27 14.513 0.086 6.617 1.00 10.00 H new ATOM 0 HD23 LEU A 27 15.492 -1.324 6.148 1.00 10.00 H new ATOM 465 N MET A 28 18.430 0.117 2.050 1.00 10.00 N ATOM 466 CA MET A 28 19.431 -0.909 1.626 1.00 10.00 C ATOM 467 C MET A 28 20.855 -0.341 1.720 1.00 10.00 C ATOM 468 O MET A 28 21.053 0.855 1.607 1.00 10.00 O ATOM 469 CB MET A 28 19.076 -1.230 0.169 1.00 10.00 C ATOM 470 CG MET A 28 18.987 -2.746 -0.019 1.00 10.00 C ATOM 471 SD MET A 28 17.430 -3.161 -0.846 1.00 10.00 S ATOM 472 CE MET A 28 18.150 -3.931 -2.314 1.00 10.00 C ATOM 0 H MET A 28 18.748 1.084 1.979 1.00 10.00 H new ATOM 0 HA MET A 28 19.404 -1.796 2.260 1.00 10.00 H new ATOM 0 HB2 MET A 28 18.126 -0.765 -0.095 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.831 -0.815 -0.499 1.00 10.00 H new ATOM 0 HG2 MET A 28 19.831 -3.100 -0.611 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.043 -3.247 0.947 1.00 10.00 H new ATOM 0 HE1 MET A 28 17.353 -4.268 -2.976 1.00 10.00 H new ATOM 0 HE2 MET A 28 18.774 -3.206 -2.836 1.00 10.00 H new ATOM 0 HE3 MET A 28 18.759 -4.785 -2.016 1.00 10.00 H new ATOM 482 N PRO A 29 21.807 -1.225 1.923 1.00 10.00 N ATOM 483 CA PRO A 29 23.229 -0.806 2.029 1.00 10.00 C ATOM 484 C PRO A 29 23.813 -0.525 0.635 1.00 10.00 C ATOM 485 O PRO A 29 23.088 -0.340 -0.325 1.00 10.00 O ATOM 486 CB PRO A 29 23.907 -2.013 2.673 1.00 10.00 C ATOM 487 CG PRO A 29 23.047 -3.188 2.326 1.00 10.00 C ATOM 488 CD PRO A 29 21.650 -2.679 2.072 1.00 10.00 C ATOM 0 HA PRO A 29 23.366 0.111 2.602 1.00 10.00 H new ATOM 0 HB2 PRO A 29 24.920 -2.143 2.293 1.00 10.00 H new ATOM 0 HB3 PRO A 29 23.985 -1.889 3.753 1.00 10.00 H new ATOM 0 HG2 PRO A 29 23.434 -3.697 1.443 1.00 10.00 H new ATOM 0 HG3 PRO A 29 23.047 -3.914 3.139 1.00 10.00 H new ATOM 0 HD2 PRO A 29 21.222 -3.126 1.174 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.983 -2.923 2.899 1.00 10.00 H new ATOM 496 N GLN A 30 25.118 -0.495 0.520 1.00 10.00 N ATOM 497 CA GLN A 30 25.753 -0.232 -0.810 1.00 10.00 C ATOM 498 C GLN A 30 25.468 -1.392 -1.774 1.00 10.00 C ATOM 499 O GLN A 30 25.192 -1.184 -2.940 1.00 10.00 O ATOM 500 CB GLN A 30 27.254 -0.123 -0.529 1.00 10.00 C ATOM 501 CG GLN A 30 27.551 1.206 0.174 1.00 10.00 C ATOM 502 CD GLN A 30 28.793 1.849 -0.448 1.00 10.00 C ATOM 503 OE1 GLN A 30 28.758 2.302 -1.575 1.00 10.00 O ATOM 504 NE2 GLN A 30 29.900 1.913 0.243 1.00 10.00 N ATOM 0 H GLN A 30 25.772 -0.641 1.289 1.00 10.00 H new ATOM 0 HA GLN A 30 25.363 0.673 -1.277 1.00 10.00 H new ATOM 0 HB2 GLN A 30 27.579 -0.956 0.094 1.00 10.00 H new ATOM 0 HB3 GLN A 30 27.814 -0.186 -1.462 1.00 10.00 H new ATOM 0 HG2 GLN A 30 26.697 1.877 0.082 1.00 10.00 H new ATOM 0 HG3 GLN A 30 27.711 1.038 1.239 1.00 10.00 H new ATOM 0 HE21 GLN A 30 29.933 1.534 1.189 1.00 10.00 H new ATOM 0 HE22 GLN A 30 30.731 2.342 -0.164 1.00 10.00 H new ATOM 513 N LEU A 31 25.529 -2.610 -1.291 1.00 10.00 N ATOM 514 CA LEU A 31 25.257 -3.790 -2.175 1.00 10.00 C ATOM 515 C LEU A 31 23.803 -4.268 -2.018 1.00 10.00 C ATOM 516 O LEU A 31 23.162 -3.877 -1.053 1.00 10.00 O ATOM 517 CB LEU A 31 26.245 -4.876 -1.719 1.00 10.00 C ATOM 518 CG LEU A 31 25.884 -5.369 -0.309 1.00 10.00 C ATOM 519 CD1 LEU A 31 25.370 -6.809 -0.384 1.00 10.00 C ATOM 520 CD2 LEU A 31 27.128 -5.320 0.582 1.00 10.00 C ATOM 521 OXT LEU A 31 23.357 -5.020 -2.869 1.00 10.00 O ATOM 0 H LEU A 31 25.755 -2.839 -0.323 1.00 10.00 H new ATOM 0 HA LEU A 31 25.386 -3.545 -3.229 1.00 10.00 H new ATOM 0 HB2 LEU A 31 26.226 -5.711 -2.419 1.00 10.00 H new ATOM 0 HB3 LEU A 31 27.260 -4.479 -1.724 1.00 10.00 H new ATOM 0 HG LEU A 31 25.108 -4.728 0.110 1.00 10.00 H new ATOM 0 HD11 LEU A 31 25.115 -7.157 0.617 1.00 10.00 H new ATOM 0 HD12 LEU A 31 24.484 -6.847 -1.018 1.00 10.00 H new ATOM 0 HD13 LEU A 31 26.145 -7.450 -0.804 1.00 10.00 H new ATOM 0 HD21 LEU A 31 26.873 -5.670 1.582 1.00 10.00 H new ATOM 0 HD22 LEU A 31 27.903 -5.960 0.160 1.00 10.00 H new ATOM 0 HD23 LEU A 31 27.495 -4.295 0.638 1.00 10.00 H new TER 533 LEU A 31