USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=8 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+ -144:sc= 0.252 (180deg=0.0349) USER MOD Single : A 1 SER OG : rot 180:sc= 0.132 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0045 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 159:sc= -0.159 (180deg=-0.655) USER MOD Single : A 28 MET CE :methyl -135:sc= -0.185 (180deg=-1.11) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.076 4.706 -8.484 1.00 10.00 N ATOM 2 CA SER A 1 -19.475 5.132 -8.795 1.00 10.00 C ATOM 3 C SER A 1 -20.459 4.523 -7.786 1.00 10.00 C ATOM 4 O SER A 1 -20.254 3.429 -7.293 1.00 10.00 O ATOM 5 CB SER A 1 -19.757 4.604 -10.206 1.00 10.00 C ATOM 6 OG SER A 1 -19.344 3.245 -10.300 1.00 10.00 O ATOM 0 H1 SER A 1 -17.421 5.488 -8.689 1.00 10.00 H new ATOM 0 H2 SER A 1 -18.006 4.451 -7.478 1.00 10.00 H new ATOM 0 H3 SER A 1 -17.826 3.883 -9.068 1.00 10.00 H new ATOM 0 HA SER A 1 -19.592 6.214 -8.737 1.00 10.00 H new ATOM 0 HB2 SER A 1 -20.820 4.688 -10.430 1.00 10.00 H new ATOM 0 HB3 SER A 1 -19.227 5.207 -10.943 1.00 10.00 H new ATOM 0 HG SER A 1 -19.527 2.909 -11.202 1.00 10.00 H new ATOM 14 N GLY A 2 -21.525 5.225 -7.481 1.00 10.00 N ATOM 15 CA GLY A 2 -22.529 4.696 -6.506 1.00 10.00 C ATOM 16 C GLY A 2 -21.877 4.526 -5.132 1.00 10.00 C ATOM 17 O GLY A 2 -21.292 5.450 -4.597 1.00 10.00 O ATOM 0 H GLY A 2 -21.742 6.144 -7.867 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.376 5.379 -6.435 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.919 3.740 -6.854 1.00 10.00 H new ATOM 21 N SER A 3 -21.967 3.351 -4.561 1.00 10.00 N ATOM 22 CA SER A 3 -21.345 3.115 -3.223 1.00 10.00 C ATOM 23 C SER A 3 -19.873 2.720 -3.399 1.00 10.00 C ATOM 24 O SER A 3 -19.531 1.551 -3.428 1.00 10.00 O ATOM 25 CB SER A 3 -22.150 1.971 -2.599 1.00 10.00 C ATOM 26 OG SER A 3 -21.899 1.927 -1.199 1.00 10.00 O ATOM 0 H SER A 3 -22.445 2.545 -4.964 1.00 10.00 H new ATOM 0 HA SER A 3 -21.364 4.003 -2.591 1.00 10.00 H new ATOM 0 HB2 SER A 3 -23.214 2.117 -2.785 1.00 10.00 H new ATOM 0 HB3 SER A 3 -21.873 1.023 -3.060 1.00 10.00 H new ATOM 0 HG SER A 3 -22.414 1.197 -0.797 1.00 10.00 H new ATOM 32 N TRP A 4 -19.001 3.691 -3.519 1.00 10.00 N ATOM 33 CA TRP A 4 -17.548 3.384 -3.698 1.00 10.00 C ATOM 34 C TRP A 4 -16.794 3.476 -2.360 1.00 10.00 C ATOM 35 O TRP A 4 -15.576 3.461 -2.331 1.00 10.00 O ATOM 36 CB TRP A 4 -17.038 4.443 -4.680 1.00 10.00 C ATOM 37 CG TRP A 4 -15.901 3.881 -5.472 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.022 2.986 -6.479 1.00 10.00 C ATOM 39 CD2 TRP A 4 -14.476 4.156 -5.338 1.00 10.00 C ATOM 40 NE1 TRP A 4 -14.764 2.694 -6.972 1.00 10.00 N ATOM 41 CE2 TRP A 4 -13.777 3.391 -6.301 1.00 10.00 C ATOM 42 CE3 TRP A 4 -13.729 4.987 -4.484 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -12.388 3.447 -6.412 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -12.331 5.047 -4.593 1.00 10.00 C ATOM 45 CH2 TRP A 4 -11.661 4.278 -5.555 1.00 10.00 C ATOM 0 H TRP A 4 -19.233 4.684 -3.501 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.391 2.370 -4.067 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -17.842 4.753 -5.347 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -16.714 5.331 -4.138 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -16.950 2.568 -6.839 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -14.586 2.044 -7.737 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -14.235 5.583 -3.739 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -11.878 2.852 -7.155 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -11.768 5.689 -3.932 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -10.585 4.328 -5.634 1.00 10.00 H new ATOM 56 N LEU A 5 -17.498 3.562 -1.252 1.00 10.00 N ATOM 57 CA LEU A 5 -16.805 3.643 0.074 1.00 10.00 C ATOM 58 C LEU A 5 -16.077 2.326 0.361 1.00 10.00 C ATOM 59 O LEU A 5 -14.957 2.319 0.834 1.00 10.00 O ATOM 60 CB LEU A 5 -17.917 3.885 1.102 1.00 10.00 C ATOM 61 CG LEU A 5 -17.354 4.667 2.293 1.00 10.00 C ATOM 62 CD1 LEU A 5 -18.482 5.445 2.972 1.00 10.00 C ATOM 63 CD2 LEU A 5 -16.732 3.693 3.297 1.00 10.00 C ATOM 0 H LEU A 5 -18.517 3.579 -1.210 1.00 10.00 H new ATOM 0 HA LEU A 5 -16.058 4.436 0.103 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.735 4.440 0.644 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -18.327 2.933 1.440 1.00 10.00 H new ATOM 0 HG LEU A 5 -16.592 5.363 1.941 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -18.081 6.001 3.819 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -18.925 6.140 2.259 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -19.244 4.749 3.323 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -16.332 4.250 4.144 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -17.494 2.997 3.648 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.927 3.138 2.815 1.00 10.00 H new ATOM 75 N ARG A 6 -16.696 1.212 0.056 1.00 10.00 N ATOM 76 CA ARG A 6 -16.027 -0.105 0.284 1.00 10.00 C ATOM 77 C ARG A 6 -14.968 -0.328 -0.804 1.00 10.00 C ATOM 78 O ARG A 6 -13.955 -0.961 -0.576 1.00 10.00 O ATOM 79 CB ARG A 6 -17.140 -1.152 0.176 1.00 10.00 C ATOM 80 CG ARG A 6 -16.746 -2.402 0.967 1.00 10.00 C ATOM 81 CD ARG A 6 -17.922 -3.384 1.000 1.00 10.00 C ATOM 82 NE ARG A 6 -18.915 -2.778 1.935 1.00 10.00 N ATOM 83 CZ ARG A 6 -20.070 -3.359 2.127 1.00 10.00 C ATOM 84 NH1 ARG A 6 -20.195 -4.267 3.059 1.00 10.00 N ATOM 85 NH2 ARG A 6 -21.097 -3.030 1.387 1.00 10.00 N ATOM 0 H ARG A 6 -17.634 1.158 -0.340 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.525 -0.159 1.250 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -18.075 -0.745 0.561 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.311 -1.409 -0.869 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.877 -2.875 0.509 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.461 -2.127 1.982 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.349 -3.520 0.006 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.604 -4.367 1.347 1.00 10.00 H new ATOM 0 HE ARG A 6 -18.692 -1.911 2.424 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.392 -4.521 3.635 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -21.095 -4.722 3.211 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -20.996 -2.321 0.661 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -21.999 -3.483 1.536 1.00 10.00 H new ATOM 99 N ASP A 7 -15.202 0.203 -1.982 1.00 10.00 N ATOM 100 CA ASP A 7 -14.222 0.049 -3.101 1.00 10.00 C ATOM 101 C ASP A 7 -12.899 0.750 -2.755 1.00 10.00 C ATOM 102 O ASP A 7 -11.831 0.276 -3.097 1.00 10.00 O ATOM 103 CB ASP A 7 -14.890 0.726 -4.303 1.00 10.00 C ATOM 104 CG ASP A 7 -14.600 -0.070 -5.574 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.501 0.055 -6.087 1.00 10.00 O ATOM 106 OD2 ASP A 7 -15.483 -0.786 -6.017 1.00 10.00 O ATOM 0 H ASP A 7 -16.037 0.740 -2.216 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.982 -0.996 -3.299 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.966 0.793 -4.143 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.520 1.746 -4.409 1.00 10.00 H new ATOM 111 N ILE A 8 -12.964 1.874 -2.078 1.00 10.00 N ATOM 112 CA ILE A 8 -11.714 2.610 -1.706 1.00 10.00 C ATOM 113 C ILE A 8 -10.859 1.769 -0.740 1.00 10.00 C ATOM 114 O ILE A 8 -9.642 1.838 -0.762 1.00 10.00 O ATOM 115 CB ILE A 8 -12.192 3.921 -1.048 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.178 5.031 -1.349 1.00 10.00 C ATOM 117 CG2 ILE A 8 -12.320 3.755 0.471 1.00 10.00 C ATOM 118 CD1 ILE A 8 -11.811 6.396 -1.067 1.00 10.00 C ATOM 0 H ILE A 8 -13.831 2.313 -1.767 1.00 10.00 H new ATOM 0 HA ILE A 8 -11.081 2.812 -2.570 1.00 10.00 H new ATOM 0 HB ILE A 8 -13.170 4.179 -1.453 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -10.286 4.899 -0.736 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -10.860 4.974 -2.390 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -12.658 4.693 0.912 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -13.042 2.969 0.692 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -11.351 3.486 0.891 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -11.089 7.183 -1.282 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -12.689 6.527 -1.699 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -12.107 6.451 -0.019 1.00 10.00 H new ATOM 130 N TRP A 9 -11.485 0.978 0.104 1.00 10.00 N ATOM 131 CA TRP A 9 -10.713 0.133 1.069 1.00 10.00 C ATOM 132 C TRP A 9 -9.782 -0.825 0.317 1.00 10.00 C ATOM 133 O TRP A 9 -8.660 -1.058 0.728 1.00 10.00 O ATOM 134 CB TRP A 9 -11.771 -0.648 1.856 1.00 10.00 C ATOM 135 CG TRP A 9 -11.127 -1.341 3.016 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.288 -2.648 3.328 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.224 -0.791 4.020 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.542 -2.934 4.456 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.868 -1.822 4.920 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.684 0.491 4.234 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.006 -1.592 5.994 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.818 0.726 5.313 1.00 10.00 C ATOM 143 CH2 TRP A 9 -8.480 -0.313 6.191 1.00 10.00 C ATOM 0 H TRP A 9 -12.499 0.883 0.164 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.082 0.734 1.724 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.548 0.029 2.210 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.256 -1.378 1.207 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -11.900 -3.353 2.784 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.495 -3.855 4.893 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -9.938 1.299 3.564 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -8.748 -2.396 6.667 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -8.409 1.714 5.468 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -7.813 -0.125 7.019 1.00 10.00 H new ATOM 154 N ASP A 10 -10.236 -1.372 -0.785 1.00 10.00 N ATOM 155 CA ASP A 10 -9.381 -2.308 -1.578 1.00 10.00 C ATOM 156 C ASP A 10 -8.094 -1.598 -2.022 1.00 10.00 C ATOM 157 O ASP A 10 -7.004 -2.122 -1.873 1.00 10.00 O ATOM 158 CB ASP A 10 -10.235 -2.692 -2.789 1.00 10.00 C ATOM 159 CG ASP A 10 -9.532 -3.789 -3.589 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.554 -4.926 -3.145 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.987 -3.474 -4.634 1.00 10.00 O ATOM 0 H ASP A 10 -11.166 -1.209 -1.170 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.077 -3.183 -1.004 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.214 -3.040 -2.460 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.402 -1.819 -3.420 1.00 10.00 H new ATOM 166 N TRP A 11 -8.213 -0.404 -2.553 1.00 10.00 N ATOM 167 CA TRP A 11 -6.999 0.351 -2.993 1.00 10.00 C ATOM 168 C TRP A 11 -6.145 0.722 -1.773 1.00 10.00 C ATOM 169 O TRP A 11 -4.931 0.652 -1.816 1.00 10.00 O ATOM 170 CB TRP A 11 -7.533 1.608 -3.688 1.00 10.00 C ATOM 171 CG TRP A 11 -6.392 2.509 -4.039 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.626 2.399 -5.148 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.870 3.645 -3.291 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.669 3.398 -5.129 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.780 4.192 -4.005 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.237 4.248 -2.074 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.076 5.299 -3.531 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.530 5.363 -1.593 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.453 5.887 -2.320 1.00 10.00 C ATOM 0 H TRP A 11 -9.099 0.079 -2.700 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.366 -0.234 -3.660 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.083 1.333 -4.588 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.233 2.128 -3.034 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.742 1.654 -5.921 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.967 3.532 -5.857 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.066 3.852 -1.507 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.246 5.699 -4.095 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.818 5.819 -0.657 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.914 6.745 -1.945 1.00 10.00 H new ATOM 190 N ILE A 12 -6.771 1.100 -0.681 1.00 10.00 N ATOM 191 CA ILE A 12 -5.993 1.454 0.549 1.00 10.00 C ATOM 192 C ILE A 12 -5.135 0.250 0.969 1.00 10.00 C ATOM 193 O ILE A 12 -4.009 0.400 1.406 1.00 10.00 O ATOM 194 CB ILE A 12 -7.048 1.787 1.617 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.659 3.162 1.316 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.398 1.819 3.005 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.959 3.332 2.106 1.00 10.00 C ATOM 0 H ILE A 12 -7.784 1.178 -0.590 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.316 2.294 0.396 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.825 1.023 1.601 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.955 3.950 1.582 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.856 3.258 0.248 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.153 2.056 3.755 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.961 0.845 3.225 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.617 2.579 3.024 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.391 4.309 1.890 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.664 2.552 1.818 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.749 3.256 3.173 1.00 10.00 H new ATOM 209 N CYS A 13 -5.659 -0.945 0.810 1.00 10.00 N ATOM 210 CA CYS A 13 -4.881 -2.169 1.167 1.00 10.00 C ATOM 211 C CYS A 13 -3.733 -2.360 0.164 1.00 10.00 C ATOM 212 O CYS A 13 -2.658 -2.803 0.518 1.00 10.00 O ATOM 213 CB CYS A 13 -5.885 -3.321 1.072 1.00 10.00 C ATOM 214 SG CYS A 13 -5.134 -4.836 1.720 1.00 10.00 S ATOM 0 H CYS A 13 -6.596 -1.122 0.447 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.434 -2.109 2.159 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.786 -3.079 1.636 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.188 -3.468 0.035 1.00 10.00 H new ATOM 0 HG CYS A 13 -5.989 -5.812 1.640 1.00 10.00 H new ATOM 220 N GLU A 14 -3.955 -2.008 -1.083 1.00 10.00 N ATOM 221 CA GLU A 14 -2.882 -2.145 -2.115 1.00 10.00 C ATOM 222 C GLU A 14 -1.713 -1.214 -1.777 1.00 10.00 C ATOM 223 O GLU A 14 -0.559 -1.558 -1.946 1.00 10.00 O ATOM 224 CB GLU A 14 -3.539 -1.720 -3.430 1.00 10.00 C ATOM 225 CG GLU A 14 -3.721 -2.937 -4.337 1.00 10.00 C ATOM 226 CD GLU A 14 -4.890 -2.685 -5.292 1.00 10.00 C ATOM 227 OE1 GLU A 14 -4.775 -1.793 -6.117 1.00 10.00 O ATOM 228 OE2 GLU A 14 -5.881 -3.387 -5.181 1.00 10.00 O ATOM 0 H GLU A 14 -4.838 -1.631 -1.428 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.484 -3.158 -2.168 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.505 -1.256 -3.231 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.923 -0.972 -3.929 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -2.808 -3.123 -4.903 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -3.912 -3.827 -3.737 1.00 10.00 H new ATOM 235 N VAL A 15 -2.014 -0.040 -1.286 1.00 10.00 N ATOM 236 CA VAL A 15 -0.937 0.927 -0.914 1.00 10.00 C ATOM 237 C VAL A 15 -0.186 0.412 0.322 1.00 10.00 C ATOM 238 O VAL A 15 1.008 0.593 0.445 1.00 10.00 O ATOM 239 CB VAL A 15 -1.661 2.246 -0.608 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.659 3.274 -0.071 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.300 2.786 -1.891 1.00 10.00 C ATOM 0 H VAL A 15 -2.965 0.293 -1.126 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.200 1.056 -1.706 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.433 2.067 0.140 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.177 4.209 0.145 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.201 2.893 0.842 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.115 3.452 -0.818 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.814 3.722 -1.675 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.525 2.961 -2.637 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.016 2.059 -2.275 1.00 10.00 H new ATOM 251 N LEU A 16 -0.880 -0.240 1.231 1.00 10.00 N ATOM 252 CA LEU A 16 -0.200 -0.782 2.450 1.00 10.00 C ATOM 253 C LEU A 16 0.873 -1.794 2.031 1.00 10.00 C ATOM 254 O LEU A 16 2.015 -1.704 2.441 1.00 10.00 O ATOM 255 CB LEU A 16 -1.306 -1.467 3.264 1.00 10.00 C ATOM 256 CG LEU A 16 -0.873 -1.577 4.730 1.00 10.00 C ATOM 257 CD1 LEU A 16 -2.107 -1.515 5.635 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.146 -2.908 4.954 1.00 10.00 C ATOM 0 H LEU A 16 -1.883 -0.418 1.179 1.00 10.00 H new ATOM 0 HA LEU A 16 0.296 -0.005 3.031 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.232 -0.897 3.190 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.509 -2.458 2.859 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.203 -0.752 4.970 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.798 -1.593 6.677 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.625 -0.568 5.480 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.778 -2.339 5.393 1.00 10.00 H new ATOM 0 HD21 LEU A 16 0.161 -2.984 5.997 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -0.815 -3.733 4.712 1.00 10.00 H new ATOM 0 HD23 LEU A 16 0.734 -2.954 4.313 1.00 10.00 H new ATOM 270 N SER A 17 0.517 -2.741 1.193 1.00 10.00 N ATOM 271 CA SER A 17 1.522 -3.746 0.722 1.00 10.00 C ATOM 272 C SER A 17 2.565 -3.052 -0.162 1.00 10.00 C ATOM 273 O SER A 17 3.737 -3.378 -0.128 1.00 10.00 O ATOM 274 CB SER A 17 0.726 -4.778 -0.085 1.00 10.00 C ATOM 275 OG SER A 17 -0.087 -4.114 -1.047 1.00 10.00 O ATOM 0 H SER A 17 -0.424 -2.860 0.817 1.00 10.00 H new ATOM 0 HA SER A 17 2.056 -4.218 1.547 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.407 -5.467 -0.584 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.103 -5.373 0.582 1.00 10.00 H new ATOM 0 HG SER A 17 -0.593 -4.777 -1.561 1.00 10.00 H new ATOM 281 N ASP A 18 2.142 -2.083 -0.942 1.00 10.00 N ATOM 282 CA ASP A 18 3.097 -1.344 -1.820 1.00 10.00 C ATOM 283 C ASP A 18 4.108 -0.580 -0.958 1.00 10.00 C ATOM 284 O ASP A 18 5.297 -0.610 -1.218 1.00 10.00 O ATOM 285 CB ASP A 18 2.228 -0.377 -2.631 1.00 10.00 C ATOM 286 CG ASP A 18 3.119 0.560 -3.448 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.897 0.061 -4.243 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.008 1.760 -3.265 1.00 10.00 O ATOM 0 H ASP A 18 1.172 -1.774 -1.006 1.00 10.00 H new ATOM 0 HA ASP A 18 3.669 -2.007 -2.469 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.568 -0.936 -3.294 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.592 0.203 -1.962 1.00 10.00 H new ATOM 293 N PHE A 19 3.647 0.086 0.076 1.00 10.00 N ATOM 294 CA PHE A 19 4.587 0.831 0.969 1.00 10.00 C ATOM 295 C PHE A 19 5.619 -0.142 1.548 1.00 10.00 C ATOM 296 O PHE A 19 6.779 0.189 1.703 1.00 10.00 O ATOM 297 CB PHE A 19 3.716 1.415 2.085 1.00 10.00 C ATOM 298 CG PHE A 19 3.936 2.906 2.169 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.203 3.770 1.347 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.875 3.426 3.069 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.409 5.152 1.423 1.00 10.00 C ATOM 302 CE2 PHE A 19 5.081 4.808 3.146 1.00 10.00 C ATOM 303 CZ PHE A 19 4.347 5.671 2.323 1.00 10.00 C ATOM 0 H PHE A 19 2.663 0.144 0.338 1.00 10.00 H new ATOM 0 HA PHE A 19 5.131 1.613 0.439 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.665 1.202 1.889 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.964 0.946 3.037 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.478 3.370 0.654 1.00 10.00 H new ATOM 0 HD2 PHE A 19 5.440 2.760 3.704 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.844 5.818 0.787 1.00 10.00 H new ATOM 0 HE2 PHE A 19 5.805 5.209 3.840 1.00 10.00 H new ATOM 0 HZ PHE A 19 4.505 6.738 2.383 1.00 10.00 H new ATOM 313 N LYS A 20 5.199 -1.351 1.846 1.00 10.00 N ATOM 314 CA LYS A 20 6.145 -2.369 2.394 1.00 10.00 C ATOM 315 C LYS A 20 7.223 -2.687 1.348 1.00 10.00 C ATOM 316 O LYS A 20 8.382 -2.854 1.677 1.00 10.00 O ATOM 317 CB LYS A 20 5.286 -3.607 2.679 1.00 10.00 C ATOM 318 CG LYS A 20 5.983 -4.488 3.721 1.00 10.00 C ATOM 319 CD LYS A 20 5.238 -4.395 5.056 1.00 10.00 C ATOM 320 CE LYS A 20 5.119 -5.794 5.674 1.00 10.00 C ATOM 321 NZ LYS A 20 4.429 -5.588 6.980 1.00 10.00 N ATOM 0 H LYS A 20 4.238 -1.674 1.732 1.00 10.00 H new ATOM 0 HA LYS A 20 6.657 -2.022 3.292 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.304 -3.305 3.042 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.126 -4.171 1.760 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.008 -5.523 3.379 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.018 -4.169 3.848 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.770 -3.730 5.736 1.00 10.00 H new ATOM 0 HD3 LYS A 20 4.247 -3.968 4.903 1.00 10.00 H new ATOM 0 HE2 LYS A 20 4.549 -6.462 5.029 1.00 10.00 H new ATOM 0 HE3 LYS A 20 6.100 -6.247 5.814 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.313 -6.504 7.460 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.998 -4.954 7.577 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 3.494 -5.163 6.816 1.00 10.00 H new ATOM 335 N THR A 21 6.851 -2.754 0.089 1.00 10.00 N ATOM 336 CA THR A 21 7.860 -3.041 -0.978 1.00 10.00 C ATOM 337 C THR A 21 8.766 -1.823 -1.171 1.00 10.00 C ATOM 338 O THR A 21 9.949 -1.958 -1.406 1.00 10.00 O ATOM 339 CB THR A 21 7.051 -3.321 -2.250 1.00 10.00 C ATOM 340 OG1 THR A 21 6.061 -4.302 -1.977 1.00 10.00 O ATOM 341 CG2 THR A 21 7.982 -3.830 -3.354 1.00 10.00 C ATOM 0 H THR A 21 5.895 -2.623 -0.242 1.00 10.00 H new ATOM 0 HA THR A 21 8.500 -3.886 -0.723 1.00 10.00 H new ATOM 0 HB THR A 21 6.570 -2.400 -2.580 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.543 -4.479 -2.790 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.403 -4.028 -4.256 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.740 -3.076 -3.567 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.467 -4.749 -3.026 1.00 10.00 H new ATOM 349 N TRP A 22 8.218 -0.636 -1.062 1.00 10.00 N ATOM 350 CA TRP A 22 9.048 0.598 -1.223 1.00 10.00 C ATOM 351 C TRP A 22 10.173 0.593 -0.186 1.00 10.00 C ATOM 352 O TRP A 22 11.336 0.737 -0.514 1.00 10.00 O ATOM 353 CB TRP A 22 8.091 1.762 -0.957 1.00 10.00 C ATOM 354 CG TRP A 22 8.727 3.043 -1.395 1.00 10.00 C ATOM 355 CD1 TRP A 22 8.486 3.670 -2.569 1.00 10.00 C ATOM 356 CD2 TRP A 22 9.705 3.860 -0.686 1.00 10.00 C ATOM 357 NE1 TRP A 22 9.256 4.819 -2.627 1.00 10.00 N ATOM 358 CE2 TRP A 22 10.024 4.979 -1.490 1.00 10.00 C ATOM 359 CE3 TRP A 22 10.341 3.738 0.563 1.00 10.00 C ATOM 360 CZ2 TRP A 22 10.940 5.944 -1.069 1.00 10.00 C ATOM 361 CZ3 TRP A 22 11.264 4.707 0.989 1.00 10.00 C ATOM 362 CH2 TRP A 22 11.563 5.807 0.174 1.00 10.00 C ATOM 0 H TRP A 22 7.231 -0.469 -0.868 1.00 10.00 H new ATOM 0 HA TRP A 22 9.506 0.667 -2.210 1.00 10.00 H new ATOM 0 HB2 TRP A 22 7.155 1.607 -1.494 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.846 1.810 0.104 1.00 10.00 H new ATOM 0 HD1 TRP A 22 7.805 3.330 -3.335 1.00 10.00 H new ATOM 0 HE1 TRP A 22 9.256 5.468 -3.414 1.00 10.00 H new ATOM 0 HE3 TRP A 22 10.118 2.894 1.198 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 11.166 6.791 -1.700 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 11.746 4.604 1.950 1.00 10.00 H new ATOM 0 HH2 TRP A 22 12.275 6.548 0.506 1.00 10.00 H new ATOM 373 N LEU A 23 9.822 0.423 1.063 1.00 10.00 N ATOM 374 CA LEU A 23 10.854 0.399 2.146 1.00 10.00 C ATOM 375 C LEU A 23 11.785 -0.810 1.968 1.00 10.00 C ATOM 376 O LEU A 23 12.974 -0.721 2.210 1.00 10.00 O ATOM 377 CB LEU A 23 10.062 0.290 3.454 1.00 10.00 C ATOM 378 CG LEU A 23 9.339 1.614 3.731 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.227 1.390 4.759 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.336 2.639 4.277 1.00 10.00 C ATOM 0 H LEU A 23 8.861 0.299 1.382 1.00 10.00 H new ATOM 0 HA LEU A 23 11.487 1.286 2.132 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.339 -0.523 3.386 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.734 0.052 4.279 1.00 10.00 H new ATOM 0 HG LEU A 23 8.905 1.986 2.803 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.716 2.333 4.953 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.513 0.663 4.371 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.659 1.014 5.686 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.821 3.579 4.473 1.00 10.00 H new ATOM 0 HD22 LEU A 23 10.773 2.264 5.203 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.126 2.804 3.544 1.00 10.00 H new ATOM 392 N LYS A 24 11.254 -1.932 1.534 1.00 10.00 N ATOM 393 CA LYS A 24 12.111 -3.140 1.325 1.00 10.00 C ATOM 394 C LYS A 24 13.045 -2.914 0.130 1.00 10.00 C ATOM 395 O LYS A 24 14.219 -3.229 0.182 1.00 10.00 O ATOM 396 CB LYS A 24 11.133 -4.285 1.042 1.00 10.00 C ATOM 397 CG LYS A 24 11.866 -5.627 1.134 1.00 10.00 C ATOM 398 CD LYS A 24 10.877 -6.724 1.540 1.00 10.00 C ATOM 399 CE LYS A 24 11.460 -8.099 1.196 1.00 10.00 C ATOM 400 NZ LYS A 24 10.747 -8.530 -0.041 1.00 10.00 N ATOM 0 H LYS A 24 10.266 -2.060 1.317 1.00 10.00 H new ATOM 0 HA LYS A 24 12.741 -3.357 2.187 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.311 -4.259 1.758 1.00 10.00 H new ATOM 0 HB3 LYS A 24 10.696 -4.166 0.051 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.322 -5.871 0.174 1.00 10.00 H new ATOM 0 HG3 LYS A 24 12.674 -5.563 1.863 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.670 -6.663 2.608 1.00 10.00 H new ATOM 0 HD3 LYS A 24 9.928 -6.581 1.023 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.536 -8.040 1.030 1.00 10.00 H new ATOM 0 HE3 LYS A 24 11.302 -8.808 2.009 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.096 -9.465 -0.335 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 9.726 -8.585 0.148 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.922 -7.841 -0.800 1.00 10.00 H new ATOM 414 N ALA A 25 12.531 -2.356 -0.941 1.00 10.00 N ATOM 415 CA ALA A 25 13.382 -2.089 -2.144 1.00 10.00 C ATOM 416 C ALA A 25 14.492 -1.090 -1.799 1.00 10.00 C ATOM 417 O ALA A 25 15.599 -1.193 -2.287 1.00 10.00 O ATOM 418 CB ALA A 25 12.430 -1.495 -3.185 1.00 10.00 C ATOM 0 H ALA A 25 11.555 -2.073 -1.033 1.00 10.00 H new ATOM 0 HA ALA A 25 13.871 -2.992 -2.509 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.982 -1.272 -4.098 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.639 -2.212 -3.405 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.990 -0.578 -2.794 1.00 10.00 H new ATOM 424 N LYS A 26 14.205 -0.126 -0.955 1.00 10.00 N ATOM 425 CA LYS A 26 15.242 0.879 -0.566 1.00 10.00 C ATOM 426 C LYS A 26 16.328 0.222 0.304 1.00 10.00 C ATOM 427 O LYS A 26 17.465 0.653 0.316 1.00 10.00 O ATOM 428 CB LYS A 26 14.476 1.936 0.232 1.00 10.00 C ATOM 429 CG LYS A 26 15.401 3.108 0.571 1.00 10.00 C ATOM 430 CD LYS A 26 15.732 3.087 2.067 1.00 10.00 C ATOM 431 CE LYS A 26 14.571 3.697 2.863 1.00 10.00 C ATOM 432 NZ LYS A 26 13.961 2.559 3.611 1.00 10.00 N ATOM 0 H LYS A 26 13.293 0.007 -0.518 1.00 10.00 H new ATOM 0 HA LYS A 26 15.752 1.305 -1.430 1.00 10.00 H new ATOM 0 HB2 LYS A 26 13.622 2.291 -0.345 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.081 1.497 1.148 1.00 10.00 H new ATOM 0 HG2 LYS A 26 16.318 3.042 -0.015 1.00 10.00 H new ATOM 0 HG3 LYS A 26 14.921 4.051 0.308 1.00 10.00 H new ATOM 0 HD2 LYS A 26 15.912 2.063 2.395 1.00 10.00 H new ATOM 0 HD3 LYS A 26 16.648 3.647 2.254 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.926 4.470 3.545 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.844 4.166 2.200 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 13.421 2.926 4.421 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 13.325 2.031 2.981 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 14.712 1.927 3.954 1.00 10.00 H new ATOM 446 N LEU A 27 15.984 -0.817 1.027 1.00 10.00 N ATOM 447 CA LEU A 27 16.989 -1.506 1.895 1.00 10.00 C ATOM 448 C LEU A 27 17.788 -2.548 1.091 1.00 10.00 C ATOM 449 O LEU A 27 18.849 -2.974 1.506 1.00 10.00 O ATOM 450 CB LEU A 27 16.162 -2.190 2.987 1.00 10.00 C ATOM 451 CG LEU A 27 17.019 -2.382 4.242 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.879 -1.159 5.151 1.00 10.00 C ATOM 453 CD2 LEU A 27 16.548 -3.630 4.994 1.00 10.00 C ATOM 0 H LEU A 27 15.047 -1.218 1.053 1.00 10.00 H new ATOM 0 HA LEU A 27 17.719 -0.808 2.305 1.00 10.00 H new ATOM 0 HB2 LEU A 27 15.285 -1.588 3.223 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.800 -3.155 2.631 1.00 10.00 H new ATOM 0 HG LEU A 27 18.063 -2.501 3.952 1.00 10.00 H new ATOM 0 HD11 LEU A 27 17.489 -1.297 6.043 1.00 10.00 H new ATOM 0 HD12 LEU A 27 17.213 -0.269 4.617 1.00 10.00 H new ATOM 0 HD13 LEU A 27 15.835 -1.038 5.440 1.00 10.00 H new ATOM 0 HD21 LEU A 27 17.157 -3.768 5.887 1.00 10.00 H new ATOM 0 HD22 LEU A 27 15.504 -3.509 5.282 1.00 10.00 H new ATOM 0 HD23 LEU A 27 16.648 -4.503 4.349 1.00 10.00 H new ATOM 465 N MET A 28 17.283 -2.965 -0.050 1.00 10.00 N ATOM 466 CA MET A 28 18.009 -3.985 -0.875 1.00 10.00 C ATOM 467 C MET A 28 19.428 -3.502 -1.237 1.00 10.00 C ATOM 468 O MET A 28 20.388 -4.203 -0.980 1.00 10.00 O ATOM 469 CB MET A 28 17.156 -4.171 -2.136 1.00 10.00 C ATOM 470 CG MET A 28 16.055 -5.202 -1.868 1.00 10.00 C ATOM 471 SD MET A 28 16.802 -6.818 -1.530 1.00 10.00 S ATOM 472 CE MET A 28 17.421 -7.141 -3.199 1.00 10.00 C ATOM 0 H MET A 28 16.399 -2.642 -0.444 1.00 10.00 H new ATOM 0 HA MET A 28 18.138 -4.921 -0.331 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.713 -3.220 -2.430 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.782 -4.501 -2.965 1.00 10.00 H new ATOM 0 HG2 MET A 28 15.447 -4.887 -1.020 1.00 10.00 H new ATOM 0 HG3 MET A 28 15.390 -5.271 -2.729 1.00 10.00 H new ATOM 0 HE1 MET A 28 17.188 -8.168 -3.481 1.00 10.00 H new ATOM 0 HE2 MET A 28 16.947 -6.455 -3.902 1.00 10.00 H new ATOM 0 HE3 MET A 28 18.501 -6.995 -3.221 1.00 10.00 H new ATOM 482 N PRO A 29 19.526 -2.322 -1.821 1.00 10.00 N ATOM 483 CA PRO A 29 20.855 -1.778 -2.202 1.00 10.00 C ATOM 484 C PRO A 29 21.621 -1.297 -0.954 1.00 10.00 C ATOM 485 O PRO A 29 22.292 -2.074 -0.302 1.00 10.00 O ATOM 486 CB PRO A 29 20.514 -0.620 -3.141 1.00 10.00 C ATOM 487 CG PRO A 29 19.129 -0.199 -2.761 1.00 10.00 C ATOM 488 CD PRO A 29 18.436 -1.403 -2.180 1.00 10.00 C ATOM 0 HA PRO A 29 21.505 -2.514 -2.675 1.00 10.00 H new ATOM 0 HB2 PRO A 29 21.221 0.202 -3.025 1.00 10.00 H new ATOM 0 HB3 PRO A 29 20.558 -0.933 -4.184 1.00 10.00 H new ATOM 0 HG2 PRO A 29 19.160 0.613 -2.035 1.00 10.00 H new ATOM 0 HG3 PRO A 29 18.588 0.172 -3.632 1.00 10.00 H new ATOM 0 HD2 PRO A 29 17.840 -1.135 -1.307 1.00 10.00 H new ATOM 0 HD3 PRO A 29 17.757 -1.856 -2.902 1.00 10.00 H new ATOM 496 N GLN A 30 21.530 -0.030 -0.617 1.00 10.00 N ATOM 497 CA GLN A 30 22.255 0.489 0.589 1.00 10.00 C ATOM 498 C GLN A 30 21.740 1.883 0.983 1.00 10.00 C ATOM 499 O GLN A 30 21.534 2.164 2.150 1.00 10.00 O ATOM 500 CB GLN A 30 23.745 0.547 0.196 1.00 10.00 C ATOM 501 CG GLN A 30 23.918 1.122 -1.219 1.00 10.00 C ATOM 502 CD GLN A 30 24.576 0.076 -2.123 1.00 10.00 C ATOM 503 OE1 GLN A 30 23.948 -0.446 -3.023 1.00 10.00 O ATOM 504 NE2 GLN A 30 25.823 -0.256 -1.924 1.00 10.00 N ATOM 0 H GLN A 30 20.985 0.667 -1.125 1.00 10.00 H new ATOM 0 HA GLN A 30 22.096 -0.155 1.454 1.00 10.00 H new ATOM 0 HB2 GLN A 30 24.290 1.162 0.912 1.00 10.00 H new ATOM 0 HB3 GLN A 30 24.176 -0.453 0.242 1.00 10.00 H new ATOM 0 HG2 GLN A 30 22.949 1.411 -1.626 1.00 10.00 H new ATOM 0 HG3 GLN A 30 24.530 2.023 -1.184 1.00 10.00 H new ATOM 0 HE21 GLN A 30 26.353 0.180 -1.169 1.00 10.00 H new ATOM 0 HE22 GLN A 30 26.267 -0.952 -2.523 1.00 10.00 H new ATOM 513 N LEU A 31 21.528 2.756 0.025 1.00 10.00 N ATOM 514 CA LEU A 31 21.024 4.126 0.346 1.00 10.00 C ATOM 515 C LEU A 31 19.800 4.452 -0.518 1.00 10.00 C ATOM 516 O LEU A 31 18.794 4.851 0.044 1.00 10.00 O ATOM 517 CB LEU A 31 22.186 5.067 0.014 1.00 10.00 C ATOM 518 CG LEU A 31 23.030 5.305 1.268 1.00 10.00 C ATOM 519 CD1 LEU A 31 24.507 5.399 0.882 1.00 10.00 C ATOM 520 CD2 LEU A 31 22.596 6.614 1.935 1.00 10.00 C ATOM 521 OXT LEU A 31 19.889 4.296 -1.726 1.00 10.00 O ATOM 0 H LEU A 31 21.683 2.576 -0.967 1.00 10.00 H new ATOM 0 HA LEU A 31 20.713 4.220 1.386 1.00 10.00 H new ATOM 0 HB2 LEU A 31 22.802 4.635 -0.775 1.00 10.00 H new ATOM 0 HB3 LEU A 31 21.803 6.015 -0.364 1.00 10.00 H new ATOM 0 HG LEU A 31 22.887 4.476 1.962 1.00 10.00 H new ATOM 0 HD11 LEU A 31 25.107 5.569 1.776 1.00 10.00 H new ATOM 0 HD12 LEU A 31 24.819 4.469 0.407 1.00 10.00 H new ATOM 0 HD13 LEU A 31 24.650 6.227 0.187 1.00 10.00 H new ATOM 0 HD21 LEU A 31 23.197 6.784 2.828 1.00 10.00 H new ATOM 0 HD22 LEU A 31 22.738 7.441 1.240 1.00 10.00 H new ATOM 0 HD23 LEU A 31 21.544 6.550 2.212 1.00 10.00 H new TER 533 LEU A 31