USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 246 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+ -107:sc= 0.703 (180deg=-0.658) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 25 GLN : amide:sc= 0.832 K(o=0.83,f=-10!) USER MOD Single : A 27 SER OG : rot 143:sc= 1.24 USER MOD Single : A 31 THR OG1 : rot 81:sc= 0.121 USER MOD Single : A 33 GLN : amide:sc= 0.177 X(o=0.18,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.046 10.766 -0.732 1.00 0.00 N ATOM 2 CA GLY A 1 4.049 10.436 0.305 1.00 0.00 C ATOM 3 C GLY A 1 5.225 9.677 -0.289 1.00 0.00 C ATOM 4 O GLY A 1 6.346 10.157 -0.209 1.00 0.00 O ATOM 0 H1 GLY A 1 3.088 11.783 -0.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.249 10.224 -1.596 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.096 10.523 -0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.405 11.353 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.583 9.836 1.087 1.00 0.00 H new ATOM 10 N SER A 2 4.956 8.532 -0.923 1.00 0.00 N ATOM 11 CA SER A 2 5.776 7.934 -1.986 1.00 0.00 C ATOM 12 C SER A 2 7.286 7.765 -1.722 1.00 0.00 C ATOM 13 O SER A 2 8.084 7.874 -2.652 1.00 0.00 O ATOM 14 CB SER A 2 5.458 8.636 -3.319 1.00 0.00 C ATOM 15 OG SER A 2 5.857 9.995 -3.310 1.00 0.00 O ATOM 0 H SER A 2 4.131 7.974 -0.703 1.00 0.00 H new ATOM 0 HA SER A 2 5.477 6.886 -2.026 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.963 8.115 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.388 8.573 -3.516 1.00 0.00 H new ATOM 0 HG SER A 2 5.640 10.405 -4.173 1.00 0.00 H new ATOM 21 N TYR A 3 7.665 7.455 -0.473 1.00 0.00 N ATOM 22 CA TYR A 3 9.002 7.020 -0.030 1.00 0.00 C ATOM 23 C TYR A 3 9.683 6.096 -1.056 1.00 0.00 C ATOM 24 O TYR A 3 9.305 4.928 -1.166 1.00 0.00 O ATOM 25 CB TYR A 3 8.863 6.329 1.338 1.00 0.00 C ATOM 26 CG TYR A 3 10.159 5.855 1.975 1.00 0.00 C ATOM 27 CD1 TYR A 3 10.649 4.559 1.713 1.00 0.00 C ATOM 28 CD2 TYR A 3 10.854 6.693 2.868 1.00 0.00 C ATOM 29 CE1 TYR A 3 11.829 4.110 2.333 1.00 0.00 C ATOM 30 CE2 TYR A 3 12.029 6.238 3.496 1.00 0.00 C ATOM 31 CZ TYR A 3 12.515 4.947 3.226 1.00 0.00 C ATOM 32 OH TYR A 3 13.651 4.498 3.830 1.00 0.00 O ATOM 0 H TYR A 3 7.006 7.504 0.304 1.00 0.00 H new ATOM 0 HA TYR A 3 9.646 7.895 0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.374 7.020 2.025 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.201 5.471 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.117 3.909 1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.485 7.687 3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.207 3.121 2.122 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.557 6.881 4.185 1.00 0.00 H new ATOM 0 HH TYR A 3 14.007 5.197 4.418 1.00 0.00 H new ATOM 42 N ASP A 4 10.619 6.649 -1.844 1.00 0.00 N ATOM 43 CA ASP A 4 11.261 6.050 -3.031 1.00 0.00 C ATOM 44 C ASP A 4 10.331 5.161 -3.889 1.00 0.00 C ATOM 45 O ASP A 4 10.693 4.073 -4.323 1.00 0.00 O ATOM 46 CB ASP A 4 12.596 5.389 -2.620 1.00 0.00 C ATOM 47 CG ASP A 4 13.510 5.045 -3.808 1.00 0.00 C ATOM 48 OD1 ASP A 4 13.585 5.877 -4.738 1.00 0.00 O ATOM 49 OD2 ASP A 4 14.159 3.978 -3.749 1.00 0.00 O ATOM 0 H ASP A 4 10.972 7.588 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 4 11.494 6.856 -3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.129 6.058 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.383 4.477 -2.062 1.00 0.00 H new ATOM 54 N ALA A 5 9.084 5.615 -4.071 1.00 0.00 N ATOM 55 CA ALA A 5 7.973 4.896 -4.710 1.00 0.00 C ATOM 56 C ALA A 5 7.554 3.547 -4.069 1.00 0.00 C ATOM 57 O ALA A 5 6.692 2.869 -4.621 1.00 0.00 O ATOM 58 CB ALA A 5 8.238 4.776 -6.217 1.00 0.00 C ATOM 0 H ALA A 5 8.808 6.546 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 5 7.091 5.510 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.414 4.243 -6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.323 5.772 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.166 4.228 -6.381 1.00 0.00 H new ATOM 64 N TYR A 6 8.071 3.167 -2.893 1.00 0.00 N ATOM 65 CA TYR A 6 7.628 1.975 -2.153 1.00 0.00 C ATOM 66 C TYR A 6 6.316 2.233 -1.398 1.00 0.00 C ATOM 67 O TYR A 6 5.319 1.553 -1.640 1.00 0.00 O ATOM 68 CB TYR A 6 8.722 1.513 -1.174 1.00 0.00 C ATOM 69 CG TYR A 6 9.945 0.920 -1.844 1.00 0.00 C ATOM 70 CD1 TYR A 6 10.998 1.760 -2.240 1.00 0.00 C ATOM 71 CD2 TYR A 6 10.025 -0.465 -2.096 1.00 0.00 C ATOM 72 CE1 TYR A 6 12.110 1.232 -2.919 1.00 0.00 C ATOM 73 CE2 TYR A 6 11.145 -0.995 -2.763 1.00 0.00 C ATOM 74 CZ TYR A 6 12.180 -0.143 -3.186 1.00 0.00 C ATOM 75 OH TYR A 6 13.249 -0.644 -3.862 1.00 0.00 O ATOM 0 H TYR A 6 8.815 3.682 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 6 7.444 1.185 -2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.031 2.363 -0.565 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.298 0.772 -0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.954 2.817 -2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.227 -1.119 -1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.910 1.885 -3.235 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.209 -2.057 -2.950 1.00 0.00 H new ATOM 0 HH TYR A 6 13.146 -1.613 -3.965 1.00 0.00 H new ATOM 85 N ARG A 7 6.267 3.250 -0.522 1.00 0.00 N ATOM 86 CA ARG A 7 5.053 3.525 0.271 1.00 0.00 C ATOM 87 C ARG A 7 3.957 4.269 -0.524 1.00 0.00 C ATOM 88 O ARG A 7 2.875 4.500 0.012 1.00 0.00 O ATOM 89 CB ARG A 7 5.392 4.110 1.666 1.00 0.00 C ATOM 90 CG ARG A 7 5.374 5.636 1.898 1.00 0.00 C ATOM 91 CD ARG A 7 4.019 6.367 2.004 1.00 0.00 C ATOM 92 NE ARG A 7 2.969 5.603 2.711 1.00 0.00 N ATOM 93 CZ ARG A 7 2.755 5.514 4.021 1.00 0.00 C ATOM 94 NH1 ARG A 7 3.560 6.088 4.887 1.00 0.00 N ATOM 95 NH2 ARG A 7 1.737 4.834 4.511 1.00 0.00 N ATOM 0 H ARG A 7 7.042 3.889 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 7 4.580 2.567 0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.696 3.667 2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.388 3.755 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.926 5.834 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.933 6.098 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.171 7.316 2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.667 6.602 1.000 1.00 0.00 H new ATOM 0 HE ARG A 7 2.327 5.077 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.369 6.616 4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.376 6.006 5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.090 4.360 3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.597 4.782 5.520 1.00 0.00 H new ATOM 109 N THR A 8 4.210 4.599 -1.800 1.00 0.00 N ATOM 110 CA THR A 8 3.258 5.280 -2.702 1.00 0.00 C ATOM 111 C THR A 8 1.910 4.549 -2.818 1.00 0.00 C ATOM 112 O THR A 8 0.860 5.175 -2.934 1.00 0.00 O ATOM 113 CB THR A 8 3.894 5.482 -4.096 1.00 0.00 C ATOM 114 OG1 THR A 8 3.272 6.542 -4.774 1.00 0.00 O ATOM 115 CG2 THR A 8 3.857 4.257 -5.012 1.00 0.00 C ATOM 0 H THR A 8 5.104 4.396 -2.248 1.00 0.00 H new ATOM 0 HA THR A 8 3.042 6.252 -2.259 1.00 0.00 H new ATOM 0 HB THR A 8 4.942 5.692 -3.882 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.688 6.657 -5.654 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.327 4.501 -5.965 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.396 3.434 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.822 3.962 -5.183 1.00 0.00 H new ATOM 123 N ASP A 9 1.945 3.213 -2.720 1.00 0.00 N ATOM 124 CA ASP A 9 0.770 2.354 -2.591 1.00 0.00 C ATOM 125 C ASP A 9 0.257 2.375 -1.138 1.00 0.00 C ATOM 126 O ASP A 9 -0.888 2.726 -0.863 1.00 0.00 O ATOM 127 CB ASP A 9 1.196 0.954 -3.070 1.00 0.00 C ATOM 128 CG ASP A 9 0.036 -0.026 -3.243 1.00 0.00 C ATOM 129 OD1 ASP A 9 -0.725 -0.180 -2.269 1.00 0.00 O ATOM 130 OD2 ASP A 9 -0.008 -0.696 -4.301 1.00 0.00 O ATOM 0 H ASP A 9 2.820 2.689 -2.729 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.067 2.698 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.720 1.051 -4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.906 0.538 -2.355 1.00 0.00 H new ATOM 135 N CYS A 10 1.167 2.142 -0.184 1.00 0.00 N ATOM 136 CA CYS A 10 0.915 2.091 1.260 1.00 0.00 C ATOM 137 C CYS A 10 0.275 3.342 1.902 1.00 0.00 C ATOM 138 O CYS A 10 -0.120 3.291 3.068 1.00 0.00 O ATOM 139 CB CYS A 10 2.221 1.751 1.988 1.00 0.00 C ATOM 140 SG CYS A 10 1.954 0.831 3.525 1.00 0.00 S ATOM 0 H CYS A 10 2.148 1.976 -0.410 1.00 0.00 H new ATOM 0 HA CYS A 10 0.157 1.316 1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.858 1.165 1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.757 2.673 2.211 1.00 0.00 H new ATOM 145 N GLU A 11 0.210 4.493 1.221 1.00 0.00 N ATOM 146 CA GLU A 11 -0.608 5.638 1.673 1.00 0.00 C ATOM 147 C GLU A 11 -2.097 5.495 1.328 1.00 0.00 C ATOM 148 O GLU A 11 -2.927 5.919 2.133 1.00 0.00 O ATOM 149 CB GLU A 11 -0.029 6.993 1.232 1.00 0.00 C ATOM 150 CG GLU A 11 0.136 7.183 -0.272 1.00 0.00 C ATOM 151 CD GLU A 11 1.104 8.324 -0.527 1.00 0.00 C ATOM 152 OE1 GLU A 11 2.328 8.072 -0.543 1.00 0.00 O ATOM 153 OE2 GLU A 11 0.669 9.486 -0.655 1.00 0.00 O ATOM 0 H GLU A 11 0.715 4.661 0.351 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.555 5.621 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.676 7.784 1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.944 7.123 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.508 6.266 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.829 7.399 -0.731 1.00 0.00 H new ATOM 160 N GLU A 12 -2.466 4.781 0.250 1.00 0.00 N ATOM 161 CA GLU A 12 -3.869 4.377 0.011 1.00 0.00 C ATOM 162 C GLU A 12 -4.362 3.444 1.111 1.00 0.00 C ATOM 163 O GLU A 12 -5.462 3.628 1.630 1.00 0.00 O ATOM 164 CB GLU A 12 -4.080 3.678 -1.344 1.00 0.00 C ATOM 165 CG GLU A 12 -3.950 4.625 -2.543 1.00 0.00 C ATOM 166 CD GLU A 12 -4.787 4.135 -3.720 1.00 0.00 C ATOM 167 OE1 GLU A 12 -4.974 2.910 -3.864 1.00 0.00 O ATOM 168 OE2 GLU A 12 -5.354 4.980 -4.447 1.00 0.00 O ATOM 0 H GLU A 12 -1.815 4.470 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.440 5.305 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.353 2.872 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.069 3.219 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.271 5.627 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.904 4.698 -2.841 1.00 0.00 H new ATOM 175 N LEU A 13 -3.509 2.505 1.537 1.00 0.00 N ATOM 176 CA LEU A 13 -3.793 1.553 2.618 1.00 0.00 C ATOM 177 C LEU A 13 -4.126 2.240 3.958 1.00 0.00 C ATOM 178 O LEU A 13 -4.767 1.625 4.805 1.00 0.00 O ATOM 179 CB LEU A 13 -2.622 0.568 2.802 1.00 0.00 C ATOM 180 CG LEU A 13 -2.579 -0.582 1.779 1.00 0.00 C ATOM 181 CD1 LEU A 13 -2.386 -0.100 0.350 1.00 0.00 C ATOM 182 CD2 LEU A 13 -1.427 -1.529 2.124 1.00 0.00 C ATOM 0 H LEU A 13 -2.581 2.383 1.131 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.684 1.004 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.686 1.123 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.678 0.142 3.804 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.544 -1.086 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.364 -0.957 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.210 0.558 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.445 0.445 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.396 -2.343 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.485 -0.982 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.579 -1.937 3.123 1.00 0.00 H new ATOM 194 N SER A 14 -3.739 3.509 4.142 1.00 0.00 N ATOM 195 CA SER A 14 -4.089 4.301 5.326 1.00 0.00 C ATOM 196 C SER A 14 -5.514 4.898 5.261 1.00 0.00 C ATOM 197 O SER A 14 -6.198 4.980 6.288 1.00 0.00 O ATOM 198 CB SER A 14 -3.044 5.413 5.492 1.00 0.00 C ATOM 199 OG SER A 14 -3.210 6.081 6.722 1.00 0.00 O ATOM 0 H SER A 14 -3.169 4.018 3.467 1.00 0.00 H new ATOM 0 HA SER A 14 -4.087 3.636 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.042 4.987 5.438 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.132 6.126 4.672 1.00 0.00 H new ATOM 0 HG SER A 14 -2.532 6.784 6.807 1.00 0.00 H new ATOM 205 N GLY A 15 -6.013 5.240 4.059 1.00 0.00 N ATOM 206 CA GLY A 15 -7.255 6.015 3.884 1.00 0.00 C ATOM 207 C GLY A 15 -8.143 5.583 2.710 1.00 0.00 C ATOM 208 O GLY A 15 -9.300 5.226 2.930 1.00 0.00 O ATOM 0 H GLY A 15 -5.565 4.986 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.838 5.946 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.992 7.064 3.751 1.00 0.00 H new ATOM 212 N ALA A 16 -7.613 5.537 1.481 1.00 0.00 N ATOM 213 CA ALA A 16 -8.352 5.058 0.303 1.00 0.00 C ATOM 214 C ALA A 16 -8.719 3.557 0.369 1.00 0.00 C ATOM 215 O ALA A 16 -9.582 3.106 -0.385 1.00 0.00 O ATOM 216 CB ALA A 16 -7.561 5.379 -0.968 1.00 0.00 C ATOM 0 H ALA A 16 -6.658 5.831 1.274 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.304 5.588 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.111 5.023 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.418 6.457 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.590 4.886 -0.926 1.00 0.00 H new ATOM 222 N ARG A 17 -8.125 2.800 1.308 1.00 0.00 N ATOM 223 CA ARG A 17 -8.486 1.429 1.701 1.00 0.00 C ATOM 224 C ARG A 17 -9.990 1.110 1.617 1.00 0.00 C ATOM 225 O ARG A 17 -10.342 0.056 1.094 1.00 0.00 O ATOM 226 CB ARG A 17 -7.946 1.111 3.112 1.00 0.00 C ATOM 227 CG ARG A 17 -8.334 2.147 4.182 1.00 0.00 C ATOM 228 CD ARG A 17 -7.975 1.711 5.604 1.00 0.00 C ATOM 229 NE ARG A 17 -7.996 2.876 6.502 1.00 0.00 N ATOM 230 CZ ARG A 17 -9.002 3.342 7.225 1.00 0.00 C ATOM 231 NH1 ARG A 17 -10.152 2.711 7.330 1.00 0.00 N ATOM 232 NH2 ARG A 17 -8.844 4.484 7.852 1.00 0.00 N ATOM 0 H ARG A 17 -7.332 3.152 1.845 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.011 0.783 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.315 0.132 3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.859 1.042 3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.835 3.091 3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.407 2.333 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.682 0.958 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.987 1.250 5.615 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.120 3.393 6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.295 1.826 6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.901 3.107 7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.962 4.990 7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.603 4.866 8.416 1.00 0.00 H new ATOM 246 N THR A 18 -10.867 2.030 2.041 1.00 0.00 N ATOM 247 CA THR A 18 -12.336 1.911 2.006 1.00 0.00 C ATOM 248 C THR A 18 -12.906 1.629 0.602 1.00 0.00 C ATOM 249 O THR A 18 -13.998 1.081 0.482 1.00 0.00 O ATOM 250 CB THR A 18 -12.956 3.211 2.558 1.00 0.00 C ATOM 251 OG1 THR A 18 -12.272 3.626 3.722 1.00 0.00 O ATOM 252 CG2 THR A 18 -14.439 3.089 2.919 1.00 0.00 C ATOM 0 H THR A 18 -10.561 2.919 2.436 1.00 0.00 H new ATOM 0 HA THR A 18 -12.597 1.050 2.621 1.00 0.00 H new ATOM 0 HB THR A 18 -12.861 3.935 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.675 4.453 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 18 -14.801 4.044 3.299 1.00 0.00 H new ATOM 0 HG22 THR A 18 -15.008 2.813 2.031 1.00 0.00 H new ATOM 0 HG23 THR A 18 -14.565 2.323 3.684 1.00 0.00 H new ATOM 260 N PHE A 19 -12.145 1.945 -0.454 1.00 0.00 N ATOM 261 CA PHE A 19 -12.488 1.721 -1.862 1.00 0.00 C ATOM 262 C PHE A 19 -11.482 0.788 -2.566 1.00 0.00 C ATOM 263 O PHE A 19 -11.449 0.721 -3.796 1.00 0.00 O ATOM 264 CB PHE A 19 -12.587 3.081 -2.567 1.00 0.00 C ATOM 265 CG PHE A 19 -13.525 4.064 -1.887 1.00 0.00 C ATOM 266 CD1 PHE A 19 -14.917 3.862 -1.947 1.00 0.00 C ATOM 267 CD2 PHE A 19 -13.007 5.161 -1.173 1.00 0.00 C ATOM 268 CE1 PHE A 19 -15.788 4.760 -1.305 1.00 0.00 C ATOM 269 CE2 PHE A 19 -13.878 6.060 -0.532 1.00 0.00 C ATOM 270 CZ PHE A 19 -15.269 5.861 -0.601 1.00 0.00 C ATOM 0 H PHE A 19 -11.231 2.384 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 19 -13.451 1.213 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.592 3.523 -2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.923 2.924 -3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -15.316 3.016 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.939 5.312 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.856 4.604 -1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.479 6.903 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.938 6.554 -0.113 1.00 0.00 H new ATOM 280 N ARG A 20 -10.638 0.092 -1.791 1.00 0.00 N ATOM 281 CA ARG A 20 -9.663 -0.883 -2.280 1.00 0.00 C ATOM 282 C ARG A 20 -9.749 -2.182 -1.465 1.00 0.00 C ATOM 283 O ARG A 20 -10.251 -3.181 -1.969 1.00 0.00 O ATOM 284 CB ARG A 20 -8.223 -0.316 -2.224 1.00 0.00 C ATOM 285 CG ARG A 20 -7.782 0.561 -3.404 1.00 0.00 C ATOM 286 CD ARG A 20 -8.364 1.975 -3.389 1.00 0.00 C ATOM 287 NE ARG A 20 -7.652 2.835 -4.337 1.00 0.00 N ATOM 288 CZ ARG A 20 -8.053 3.296 -5.510 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.198 2.939 -6.058 1.00 0.00 N ATOM 290 NH2 ARG A 20 -7.275 4.138 -6.143 1.00 0.00 N ATOM 0 H ARG A 20 -10.617 0.198 -0.777 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.903 -1.099 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.123 0.268 -1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.530 -1.154 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.694 0.628 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.072 0.071 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.423 1.941 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.292 2.393 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.714 3.118 -4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.812 2.283 -5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.470 3.318 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.387 4.421 -5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.557 4.511 -7.050 1.00 0.00 H new ATOM 304 N LEU A 21 -9.221 -2.174 -0.235 1.00 0.00 N ATOM 305 CA LEU A 21 -8.938 -3.281 0.695 1.00 0.00 C ATOM 306 C LEU A 21 -8.389 -4.636 0.162 1.00 0.00 C ATOM 307 O LEU A 21 -7.950 -5.443 0.978 1.00 0.00 O ATOM 308 CB LEU A 21 -10.078 -3.403 1.725 1.00 0.00 C ATOM 309 CG LEU A 21 -11.507 -3.606 1.182 1.00 0.00 C ATOM 310 CD1 LEU A 21 -11.708 -4.983 0.545 1.00 0.00 C ATOM 311 CD2 LEU A 21 -12.500 -3.458 2.338 1.00 0.00 C ATOM 0 H LEU A 21 -8.948 -1.285 0.185 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.015 -2.965 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.847 -4.239 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.076 -2.502 2.338 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.671 -2.855 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.732 -5.069 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.015 -5.103 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.521 -5.758 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.515 -3.600 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.285 -4.207 3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.408 -2.462 2.771 1.00 0.00 H new ATOM 323 N ALA A 22 -8.297 -4.855 -1.156 1.00 0.00 N ATOM 324 CA ALA A 22 -7.651 -6.013 -1.785 1.00 0.00 C ATOM 325 C ALA A 22 -6.749 -5.669 -3.000 1.00 0.00 C ATOM 326 O ALA A 22 -5.614 -6.143 -2.997 1.00 0.00 O ATOM 327 CB ALA A 22 -8.714 -7.066 -2.132 1.00 0.00 C ATOM 0 H ALA A 22 -8.686 -4.205 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.956 -6.423 -1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.235 -7.926 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.222 -7.384 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.440 -6.636 -2.822 1.00 0.00 H new ATOM 333 N PRO A 23 -7.132 -4.809 -3.981 1.00 0.00 N ATOM 334 CA PRO A 23 -6.265 -4.419 -5.108 1.00 0.00 C ATOM 335 C PRO A 23 -4.938 -3.746 -4.726 1.00 0.00 C ATOM 336 O PRO A 23 -4.012 -3.751 -5.527 1.00 0.00 O ATOM 337 CB PRO A 23 -7.091 -3.469 -5.985 1.00 0.00 C ATOM 338 CG PRO A 23 -8.531 -3.831 -5.644 1.00 0.00 C ATOM 339 CD PRO A 23 -8.428 -4.175 -4.162 1.00 0.00 C ATOM 0 HA PRO A 23 -5.962 -5.334 -5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.875 -2.425 -5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.880 -3.616 -7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.214 -3.001 -5.824 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.891 -4.674 -6.235 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.512 -3.278 -3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.234 -4.844 -3.861 1.00 0.00 H new ATOM 347 N ALA A 24 -4.862 -3.175 -3.516 1.00 0.00 N ATOM 348 CA ALA A 24 -3.698 -2.438 -3.003 1.00 0.00 C ATOM 349 C ALA A 24 -3.057 -3.114 -1.770 1.00 0.00 C ATOM 350 O ALA A 24 -1.849 -3.026 -1.549 1.00 0.00 O ATOM 351 CB ALA A 24 -4.155 -1.008 -2.697 1.00 0.00 C ATOM 0 H ALA A 24 -5.631 -3.214 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.912 -2.432 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.313 -0.431 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.528 -0.542 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.949 -1.032 -1.951 1.00 0.00 H new ATOM 357 N GLN A 25 -3.819 -3.911 -1.004 1.00 0.00 N ATOM 358 CA GLN A 25 -3.337 -4.727 0.131 1.00 0.00 C ATOM 359 C GLN A 25 -2.465 -5.940 -0.292 1.00 0.00 C ATOM 360 O GLN A 25 -2.412 -6.957 0.402 1.00 0.00 O ATOM 361 CB GLN A 25 -4.526 -5.103 1.035 1.00 0.00 C ATOM 362 CG GLN A 25 -4.934 -3.924 1.940 1.00 0.00 C ATOM 363 CD GLN A 25 -5.670 -4.357 3.199 1.00 0.00 C ATOM 364 OE1 GLN A 25 -5.261 -5.277 3.902 1.00 0.00 O ATOM 365 NE2 GLN A 25 -6.720 -3.650 3.573 1.00 0.00 N ATOM 0 H GLN A 25 -4.822 -4.011 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.647 -4.118 0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.374 -5.402 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.260 -5.962 1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.041 -3.367 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.568 -3.243 1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.056 -2.887 2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.195 -3.867 4.449 1.00 0.00 H new ATOM 374 N TRP A 26 -1.748 -5.776 -1.407 1.00 0.00 N ATOM 375 CA TRP A 26 -0.898 -6.732 -2.124 1.00 0.00 C ATOM 376 C TRP A 26 0.436 -6.071 -2.569 1.00 0.00 C ATOM 377 O TRP A 26 1.070 -6.473 -3.541 1.00 0.00 O ATOM 378 CB TRP A 26 -1.714 -7.287 -3.304 1.00 0.00 C ATOM 379 CG TRP A 26 -1.127 -8.485 -3.985 1.00 0.00 C ATOM 380 CD1 TRP A 26 -0.450 -8.475 -5.155 1.00 0.00 C ATOM 381 CD2 TRP A 26 -1.092 -9.870 -3.520 1.00 0.00 C ATOM 382 NE1 TRP A 26 0.012 -9.743 -5.440 1.00 0.00 N ATOM 383 CE2 TRP A 26 -0.351 -10.645 -4.462 1.00 0.00 C ATOM 384 CE3 TRP A 26 -1.588 -10.546 -2.384 1.00 0.00 C ATOM 385 CZ2 TRP A 26 -0.117 -12.017 -4.293 1.00 0.00 C ATOM 386 CZ3 TRP A 26 -1.361 -11.924 -2.203 1.00 0.00 C ATOM 387 CH2 TRP A 26 -0.628 -12.660 -3.153 1.00 0.00 C ATOM 0 H TRP A 26 -1.749 -4.873 -1.881 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.608 -7.557 -1.474 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.710 -7.546 -2.945 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.838 -6.495 -4.042 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -0.294 -7.604 -5.774 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.554 -9.983 -6.270 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -2.150 -9.998 -1.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.448 -12.571 -5.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -1.753 -12.421 -1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -0.459 -13.716 -3.006 1.00 0.00 H new ATOM 398 N SER A 27 0.840 -5.004 -1.864 1.00 0.00 N ATOM 399 CA SER A 27 2.025 -4.203 -2.187 1.00 0.00 C ATOM 400 C SER A 27 2.869 -3.933 -0.933 1.00 0.00 C ATOM 401 O SER A 27 3.895 -4.579 -0.731 1.00 0.00 O ATOM 402 CB SER A 27 1.603 -2.876 -2.835 1.00 0.00 C ATOM 403 OG SER A 27 0.916 -3.015 -4.060 1.00 0.00 O ATOM 0 H SER A 27 0.342 -4.669 -1.039 1.00 0.00 H new ATOM 0 HA SER A 27 2.636 -4.768 -2.891 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.968 -2.331 -2.137 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.492 -2.267 -2.999 1.00 0.00 H new ATOM 0 HG SER A 27 0.212 -2.336 -4.119 1.00 0.00 H new ATOM 409 N CYS A 28 2.432 -3.031 -0.046 1.00 0.00 N ATOM 410 CA CYS A 28 3.233 -2.564 1.092 1.00 0.00 C ATOM 411 C CYS A 28 3.812 -3.711 1.940 1.00 0.00 C ATOM 412 O CYS A 28 5.020 -3.797 2.169 1.00 0.00 O ATOM 413 CB CYS A 28 2.328 -1.657 1.931 1.00 0.00 C ATOM 414 SG CYS A 28 3.159 -0.780 3.271 1.00 0.00 S ATOM 0 H CYS A 28 1.508 -2.602 -0.098 1.00 0.00 H new ATOM 0 HA CYS A 28 4.104 -2.024 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.861 -0.925 1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.526 -2.261 2.355 1.00 0.00 H new ATOM 419 N ARG A 29 2.933 -4.645 2.313 1.00 0.00 N ATOM 420 CA ARG A 29 3.235 -5.832 3.113 1.00 0.00 C ATOM 421 C ARG A 29 4.045 -6.928 2.389 1.00 0.00 C ATOM 422 O ARG A 29 4.249 -7.987 2.979 1.00 0.00 O ATOM 423 CB ARG A 29 1.928 -6.387 3.706 1.00 0.00 C ATOM 424 CG ARG A 29 0.905 -6.847 2.650 1.00 0.00 C ATOM 425 CD ARG A 29 -0.302 -7.542 3.292 1.00 0.00 C ATOM 426 NE ARG A 29 -1.002 -6.654 4.242 1.00 0.00 N ATOM 427 CZ ARG A 29 -2.310 -6.444 4.323 1.00 0.00 C ATOM 428 NH1 ARG A 29 -3.183 -7.078 3.583 1.00 0.00 N ATOM 429 NH2 ARG A 29 -2.803 -5.551 5.148 1.00 0.00 N ATOM 0 H ARG A 29 1.948 -4.591 2.053 1.00 0.00 H new ATOM 0 HA ARG A 29 3.905 -5.505 3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.165 -7.228 4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.470 -5.620 4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.565 -5.986 2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.387 -7.529 1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.995 -7.861 2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.030 -8.441 3.811 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.418 -6.148 4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.868 -7.771 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.178 -6.879 3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.178 -5.004 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.811 -5.403 5.197 1.00 0.00 H new ATOM 443 N GLU A 30 4.506 -6.703 1.146 1.00 0.00 N ATOM 444 CA GLU A 30 5.314 -7.683 0.398 1.00 0.00 C ATOM 445 C GLU A 30 6.467 -7.084 -0.409 1.00 0.00 C ATOM 446 O GLU A 30 7.590 -7.566 -0.270 1.00 0.00 O ATOM 447 CB GLU A 30 4.426 -8.609 -0.450 1.00 0.00 C ATOM 448 CG GLU A 30 3.534 -7.913 -1.479 1.00 0.00 C ATOM 449 CD GLU A 30 2.496 -8.904 -1.971 1.00 0.00 C ATOM 450 OE1 GLU A 30 2.815 -9.642 -2.929 1.00 0.00 O ATOM 451 OE2 GLU A 30 1.417 -8.930 -1.340 1.00 0.00 O ATOM 0 H GLU A 30 4.330 -5.839 0.633 1.00 0.00 H new ATOM 0 HA GLU A 30 5.809 -8.287 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.068 -9.318 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.792 -9.188 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.047 -7.046 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.133 -7.548 -2.313 1.00 0.00 H new ATOM 458 N THR A 31 6.248 -5.974 -1.125 1.00 0.00 N ATOM 459 CA THR A 31 7.285 -5.232 -1.868 1.00 0.00 C ATOM 460 C THR A 31 8.418 -4.745 -0.950 1.00 0.00 C ATOM 461 O THR A 31 9.566 -4.657 -1.381 1.00 0.00 O ATOM 462 CB THR A 31 6.669 -4.024 -2.605 1.00 0.00 C ATOM 463 OG1 THR A 31 5.536 -4.406 -3.349 1.00 0.00 O ATOM 464 CG2 THR A 31 7.628 -3.352 -3.591 1.00 0.00 C ATOM 0 H THR A 31 5.323 -5.553 -1.208 1.00 0.00 H new ATOM 0 HA THR A 31 7.710 -5.926 -2.593 1.00 0.00 H new ATOM 0 HB THR A 31 6.416 -3.321 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.757 -4.456 -2.756 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.126 -2.512 -4.071 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.507 -2.992 -3.056 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.935 -4.073 -4.349 1.00 0.00 H new ATOM 472 N PHE A 32 8.106 -4.468 0.325 1.00 0.00 N ATOM 473 CA PHE A 32 9.097 -4.202 1.375 1.00 0.00 C ATOM 474 C PHE A 32 8.720 -4.800 2.745 1.00 0.00 C ATOM 475 O PHE A 32 9.316 -4.445 3.755 1.00 0.00 O ATOM 476 CB PHE A 32 9.401 -2.697 1.440 1.00 0.00 C ATOM 477 CG PHE A 32 8.248 -1.780 1.821 1.00 0.00 C ATOM 478 CD1 PHE A 32 7.339 -1.335 0.839 1.00 0.00 C ATOM 479 CD2 PHE A 32 8.115 -1.320 3.146 1.00 0.00 C ATOM 480 CE1 PHE A 32 6.339 -0.402 1.168 1.00 0.00 C ATOM 481 CE2 PHE A 32 7.119 -0.382 3.470 1.00 0.00 C ATOM 482 CZ PHE A 32 6.247 0.095 2.478 1.00 0.00 C ATOM 0 H PHE A 32 7.143 -4.422 0.659 1.00 0.00 H new ATOM 0 HA PHE A 32 10.014 -4.723 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.208 -2.544 2.157 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.776 -2.384 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.411 -1.712 -0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.779 -1.688 3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.642 -0.068 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.024 -0.027 4.486 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.507 0.843 2.722 1.00 0.00 H new ATOM 492 N GLN A 33 7.768 -5.747 2.770 1.00 0.00 N ATOM 493 CA GLN A 33 7.328 -6.492 3.966 1.00 0.00 C ATOM 494 C GLN A 33 6.694 -5.623 5.084 1.00 0.00 C ATOM 495 O GLN A 33 6.654 -6.064 6.232 1.00 0.00 O ATOM 496 CB GLN A 33 8.459 -7.404 4.492 1.00 0.00 C ATOM 497 CG GLN A 33 9.110 -8.323 3.441 1.00 0.00 C ATOM 498 CD GLN A 33 8.219 -9.475 3.018 1.00 0.00 C ATOM 499 OE1 GLN A 33 7.876 -10.331 3.817 1.00 0.00 O ATOM 500 NE2 GLN A 33 7.855 -9.565 1.752 1.00 0.00 N ATOM 0 H GLN A 33 7.264 -6.027 1.928 1.00 0.00 H new ATOM 0 HA GLN A 33 6.503 -7.122 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.234 -6.776 4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.059 -8.024 5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.370 -7.732 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.041 -8.722 3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.143 -8.848 1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.286 -10.352 1.440 1.00 0.00 H new ATOM 509 N ALA A 34 6.171 -4.439 4.719 1.00 0.00 N ATOM 510 CA ALA A 34 5.481 -3.417 5.534 1.00 0.00 C ATOM 511 C ALA A 34 6.405 -2.354 6.158 1.00 0.00 C ATOM 512 O ALA A 34 7.613 -2.621 6.338 1.00 0.00 O ATOM 513 CB ALA A 34 4.533 -4.023 6.580 1.00 0.00 C ATOM 514 OXT ALA A 34 5.867 -1.259 6.439 1.00 0.00 O ATOM 0 H ALA A 34 6.226 -4.141 3.745 1.00 0.00 H new ATOM 0 HA ALA A 34 4.871 -2.880 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.057 -3.223 7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.769 -4.617 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.100 -4.660 7.259 1.00 0.00 H new TER 520 ALA A 34