USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 318 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 LEU N :NH3+ -119:sc= 0.00951 (180deg=-1.52!) USER MOD Single : A 5 CYS SG : rot 51:sc= -0.117 USER MOD Single : A 6 CYS SG : rot 180:sc= -0.029 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 171:sc= -0.0195 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 16.788 2.868 -17.377 1.00 21.01 N ATOM 2 CA LEU A 1 15.824 3.979 -17.270 1.00 19.40 C ATOM 3 C LEU A 1 16.178 4.974 -18.370 1.00 18.14 C ATOM 4 O LEU A 1 17.315 4.935 -18.833 1.00 18.60 O ATOM 5 CB LEU A 1 15.901 4.668 -15.895 1.00 19.38 C ATOM 6 CG LEU A 1 15.104 4.003 -14.758 1.00 20.17 C ATOM 7 CD1 LEU A 1 13.587 4.102 -14.974 1.00 20.10 C ATOM 8 CD2 LEU A 1 15.511 2.548 -14.499 1.00 21.28 C ATOM 0 H1 LEU A 1 16.278 1.983 -17.572 1.00 21.01 H new ATOM 0 H2 LEU A 1 17.455 3.061 -18.151 1.00 21.01 H new ATOM 0 H3 LEU A 1 17.312 2.775 -16.483 1.00 21.01 H new ATOM 0 HA LEU A 1 14.807 3.602 -17.378 1.00 19.40 H new ATOM 0 HB2 LEU A 1 16.948 4.720 -15.595 1.00 19.38 H new ATOM 0 HB3 LEU A 1 15.550 5.694 -16.005 1.00 19.38 H new ATOM 0 HG LEU A 1 15.361 4.572 -13.865 1.00 20.17 H new ATOM 0 HD11 LEU A 1 13.069 3.618 -14.146 1.00 20.10 H new ATOM 0 HD12 LEU A 1 13.294 5.151 -15.022 1.00 20.10 H new ATOM 0 HD13 LEU A 1 13.319 3.607 -15.908 1.00 20.10 H new ATOM 0 HD21 LEU A 1 14.910 2.141 -13.686 1.00 21.28 H new ATOM 0 HD22 LEU A 1 15.348 1.958 -15.401 1.00 21.28 H new ATOM 0 HD23 LEU A 1 16.565 2.508 -14.226 1.00 21.28 H new ATOM 22 N ARG A 2 15.240 5.830 -18.787 1.00 16.82 N ATOM 23 CA ARG A 2 15.461 6.814 -19.844 1.00 15.81 C ATOM 24 C ARG A 2 14.506 7.993 -19.602 1.00 13.84 C ATOM 25 O ARG A 2 13.714 8.366 -20.465 1.00 13.30 O ATOM 26 CB ARG A 2 15.287 6.136 -21.223 1.00 16.79 C ATOM 27 CG ARG A 2 16.320 6.540 -22.291 1.00 17.24 C ATOM 28 CD ARG A 2 16.251 8.006 -22.738 1.00 16.69 C ATOM 29 NE ARG A 2 16.981 8.891 -21.814 1.00 16.46 N ATOM 30 CZ ARG A 2 16.497 9.986 -21.204 1.00 16.22 C ATOM 31 NH1 ARG A 2 15.313 10.500 -21.538 1.00 16.10 N ATOM 32 NH2 ARG A 2 17.172 10.549 -20.200 1.00 16.36 N ATOM 0 H ARG A 2 14.299 5.857 -18.395 1.00 16.82 H new ATOM 0 HA ARG A 2 16.477 7.209 -19.832 1.00 15.81 H new ATOM 0 HB2 ARG A 2 15.334 5.056 -21.087 1.00 16.79 H new ATOM 0 HB3 ARG A 2 14.291 6.367 -21.600 1.00 16.79 H new ATOM 0 HG2 ARG A 2 17.319 6.341 -21.902 1.00 17.24 H new ATOM 0 HG3 ARG A 2 16.185 5.903 -23.165 1.00 17.24 H new ATOM 0 HD2 ARG A 2 16.669 8.101 -23.740 1.00 16.69 H new ATOM 0 HD3 ARG A 2 15.209 8.320 -22.796 1.00 16.69 H new ATOM 0 HE ARG A 2 17.952 8.648 -21.617 1.00 16.46 H new ATOM 0 HH11 ARG A 2 14.755 10.061 -22.270 1.00 16.10 H new ATOM 0 HH12 ARG A 2 14.965 11.332 -21.061 1.00 16.10 H new ATOM 0 HH21 ARG A 2 18.058 10.148 -19.893 1.00 16.36 H new ATOM 0 HH22 ARG A 2 16.802 11.380 -19.739 1.00 16.36 H new ATOM 46 N ILE A 3 14.574 8.579 -18.402 1.00 12.99 N ATOM 47 CA ILE A 3 13.596 9.553 -17.929 1.00 11.35 C ATOM 48 C ILE A 3 13.776 10.909 -18.632 1.00 9.91 C ATOM 49 O ILE A 3 14.899 11.252 -19.012 1.00 10.25 O ATOM 50 CB ILE A 3 13.695 9.681 -16.396 1.00 11.77 C ATOM 51 CG1 ILE A 3 15.071 10.196 -15.927 1.00 12.60 C ATOM 52 CG2 ILE A 3 13.334 8.345 -15.734 1.00 12.48 C ATOM 53 CD1 ILE A 3 15.133 10.415 -14.412 1.00 13.20 C ATOM 0 H ILE A 3 15.317 8.386 -17.730 1.00 12.99 H new ATOM 0 HA ILE A 3 12.594 9.203 -18.180 1.00 11.35 H new ATOM 0 HB ILE A 3 12.974 10.435 -16.081 1.00 11.77 H new ATOM 0 HG12 ILE A 3 15.841 9.482 -16.219 1.00 12.60 H new ATOM 0 HG13 ILE A 3 15.297 11.133 -16.435 1.00 12.60 H new ATOM 0 HG21 ILE A 3 13.407 8.444 -14.651 1.00 12.48 H new ATOM 0 HG22 ILE A 3 12.315 8.068 -16.006 1.00 12.48 H new ATOM 0 HG23 ILE A 3 14.023 7.572 -16.074 1.00 12.48 H new ATOM 0 HD11 ILE A 3 16.123 10.777 -14.137 1.00 13.20 H new ATOM 0 HD12 ILE A 3 14.383 11.150 -14.120 1.00 13.20 H new ATOM 0 HD13 ILE A 3 14.936 9.473 -13.900 1.00 13.20 H new ATOM 65 N PRO A 4 12.698 11.679 -18.855 1.00 8.76 N ATOM 66 CA PRO A 4 12.765 12.907 -19.633 1.00 7.80 C ATOM 67 C PRO A 4 13.668 13.947 -18.967 1.00 7.12 C ATOM 68 O PRO A 4 14.750 14.238 -19.469 1.00 7.72 O ATOM 69 CB PRO A 4 11.315 13.379 -19.807 1.00 7.47 C ATOM 70 CG PRO A 4 10.543 12.676 -18.689 1.00 7.89 C ATOM 71 CD PRO A 4 11.322 11.376 -18.490 1.00 8.95 C ATOM 0 HA PRO A 4 13.222 12.743 -20.609 1.00 7.80 H new ATOM 0 HB2 PRO A 4 11.238 14.463 -19.721 1.00 7.47 H new ATOM 0 HB3 PRO A 4 10.925 13.109 -20.788 1.00 7.47 H new ATOM 0 HG2 PRO A 4 10.519 13.274 -17.778 1.00 7.89 H new ATOM 0 HG3 PRO A 4 9.508 12.486 -18.973 1.00 7.89 H new ATOM 0 HD2 PRO A 4 11.257 11.036 -17.457 1.00 8.95 H new ATOM 0 HD3 PRO A 4 10.918 10.579 -19.114 1.00 8.95 H new ATOM 79 N CYS A 5 13.209 14.513 -17.852 1.00 6.37 N ATOM 80 CA CYS A 5 13.797 15.699 -17.236 1.00 6.23 C ATOM 81 C CYS A 5 13.407 15.754 -15.759 1.00 5.65 C ATOM 82 O CYS A 5 13.003 16.798 -15.256 1.00 5.58 O ATOM 83 CB CYS A 5 13.324 16.952 -17.991 1.00 6.62 C ATOM 84 SG CYS A 5 11.529 17.173 -17.821 1.00 6.79 S ATOM 0 H CYS A 5 12.402 14.152 -17.342 1.00 6.37 H new ATOM 0 HA CYS A 5 14.884 15.655 -17.296 1.00 6.23 H new ATOM 0 HB2 CYS A 5 13.841 17.831 -17.605 1.00 6.62 H new ATOM 0 HB3 CYS A 5 13.586 16.866 -19.046 1.00 6.62 H new ATOM 0 HG CYS A 5 11.200 17.102 -16.565 1.00 6.79 H new ATOM 90 N CYS A 6 13.506 14.607 -15.077 1.00 5.87 N ATOM 91 CA CYS A 6 12.977 14.393 -13.729 1.00 5.88 C ATOM 92 C CYS A 6 11.451 14.562 -13.727 1.00 4.27 C ATOM 93 O CYS A 6 10.959 15.667 -13.496 1.00 4.63 O ATOM 94 CB CYS A 6 13.655 15.288 -12.681 1.00 7.52 C ATOM 95 SG CYS A 6 12.801 15.028 -11.107 1.00 8.35 S ATOM 0 H CYS A 6 13.969 13.782 -15.459 1.00 5.87 H new ATOM 0 HA CYS A 6 13.210 13.368 -13.439 1.00 5.88 H new ATOM 0 HB2 CYS A 6 14.712 15.038 -12.589 1.00 7.52 H new ATOM 0 HB3 CYS A 6 13.600 16.335 -12.978 1.00 7.52 H new ATOM 0 HG CYS A 6 13.348 15.769 -10.189 1.00 8.35 H new ATOM 101 N PRO A 7 10.680 13.493 -13.997 1.00 3.10 N ATOM 102 CA PRO A 7 9.235 13.570 -14.161 1.00 2.28 C ATOM 103 C PRO A 7 8.542 13.777 -12.808 1.00 1.90 C ATOM 104 O PRO A 7 7.925 12.868 -12.247 1.00 2.35 O ATOM 105 CB PRO A 7 8.847 12.270 -14.875 1.00 2.95 C ATOM 106 CG PRO A 7 9.897 11.275 -14.388 1.00 3.65 C ATOM 107 CD PRO A 7 11.151 12.140 -14.256 1.00 3.72 C ATOM 0 HA PRO A 7 8.913 14.427 -14.753 1.00 2.28 H new ATOM 0 HB2 PRO A 7 7.838 11.952 -14.611 1.00 2.95 H new ATOM 0 HB3 PRO A 7 8.872 12.383 -15.959 1.00 2.95 H new ATOM 0 HG2 PRO A 7 9.615 10.824 -13.437 1.00 3.65 H new ATOM 0 HG3 PRO A 7 10.041 10.460 -15.097 1.00 3.65 H new ATOM 0 HD2 PRO A 7 11.786 11.786 -13.444 1.00 3.72 H new ATOM 0 HD3 PRO A 7 11.748 12.103 -15.167 1.00 3.72 H new ATOM 115 N VAL A 8 8.646 15.002 -12.287 1.00 1.86 N ATOM 116 CA VAL A 8 7.972 15.427 -11.074 1.00 1.69 C ATOM 117 C VAL A 8 6.469 15.208 -11.184 1.00 1.47 C ATOM 118 O VAL A 8 5.888 15.116 -12.265 1.00 2.40 O ATOM 119 CB VAL A 8 8.349 16.869 -10.688 1.00 2.32 C ATOM 120 CG1 VAL A 8 8.201 17.867 -11.847 1.00 2.93 C ATOM 121 CG2 VAL A 8 7.609 17.417 -9.459 1.00 3.69 C ATOM 0 H VAL A 8 9.214 15.735 -12.711 1.00 1.86 H new ATOM 0 HA VAL A 8 8.319 14.802 -10.252 1.00 1.69 H new ATOM 0 HB VAL A 8 9.403 16.780 -10.426 1.00 2.32 H new ATOM 0 HG11 VAL A 8 8.482 18.864 -11.507 1.00 2.93 H new ATOM 0 HG12 VAL A 8 8.850 17.568 -12.670 1.00 2.93 H new ATOM 0 HG13 VAL A 8 7.165 17.879 -12.187 1.00 2.93 H new ATOM 0 HG21 VAL A 8 7.938 18.437 -9.262 1.00 3.69 H new ATOM 0 HG22 VAL A 8 6.536 17.412 -9.648 1.00 3.69 H new ATOM 0 HG23 VAL A 8 7.828 16.791 -8.594 1.00 3.69 H new ATOM 131 N ASN A 9 5.875 15.044 -10.009 1.00 1.17 N ATOM 132 CA ASN A 9 4.512 14.589 -9.752 1.00 0.94 C ATOM 133 C ASN A 9 4.264 13.146 -10.196 1.00 0.67 C ATOM 134 O ASN A 9 3.763 12.346 -9.416 1.00 0.82 O ATOM 135 CB ASN A 9 3.465 15.537 -10.348 1.00 1.18 C ATOM 136 CG ASN A 9 2.067 15.062 -9.962 1.00 2.76 C ATOM 137 OD1 ASN A 9 1.681 15.153 -8.802 1.00 3.78 O ATOM 138 ND2 ASN A 9 1.310 14.527 -10.914 1.00 3.88 N ATOM 0 H ASN A 9 6.373 15.241 -9.141 1.00 1.17 H new ATOM 0 HA ASN A 9 4.400 14.606 -8.668 1.00 0.94 H new ATOM 0 HB2 ASN A 9 3.629 16.551 -9.984 1.00 1.18 H new ATOM 0 HB3 ASN A 9 3.563 15.568 -11.433 1.00 1.18 H new ATOM 0 HD21 ASN A 9 0.379 14.178 -10.689 1.00 3.88 H new ATOM 0 HD22 ASN A 9 1.660 14.466 -11.870 1.00 3.88 H new ATOM 145 N LEU A 10 4.685 12.773 -11.401 1.00 0.69 N ATOM 146 CA LEU A 10 4.486 11.441 -11.945 1.00 0.75 C ATOM 147 C LEU A 10 5.298 10.441 -11.125 1.00 0.67 C ATOM 148 O LEU A 10 4.773 9.419 -10.681 1.00 0.65 O ATOM 149 CB LEU A 10 4.858 11.464 -13.435 1.00 1.08 C ATOM 150 CG LEU A 10 4.677 10.155 -14.223 1.00 2.29 C ATOM 151 CD1 LEU A 10 5.796 9.137 -13.972 1.00 3.94 C ATOM 152 CD2 LEU A 10 3.302 9.519 -13.993 1.00 3.03 C ATOM 0 H LEU A 10 5.181 13.400 -12.034 1.00 0.69 H new ATOM 0 HA LEU A 10 3.445 11.124 -11.878 1.00 0.75 H new ATOM 0 HB2 LEU A 10 4.262 12.236 -13.921 1.00 1.08 H new ATOM 0 HB3 LEU A 10 5.902 11.768 -13.518 1.00 1.08 H new ATOM 0 HG LEU A 10 4.740 10.445 -15.272 1.00 2.29 H new ATOM 0 HD11 LEU A 10 5.607 8.237 -14.558 1.00 3.94 H new ATOM 0 HD12 LEU A 10 6.753 9.568 -14.267 1.00 3.94 H new ATOM 0 HD13 LEU A 10 5.824 8.881 -12.913 1.00 3.94 H new ATOM 0 HD21 LEU A 10 3.226 8.598 -14.571 1.00 3.03 H new ATOM 0 HD22 LEU A 10 3.178 9.293 -12.934 1.00 3.03 H new ATOM 0 HD23 LEU A 10 2.523 10.212 -14.310 1.00 3.03 H new ATOM 164 N LYS A 11 6.575 10.749 -10.881 1.00 0.71 N ATOM 165 CA LYS A 11 7.446 9.868 -10.115 1.00 0.75 C ATOM 166 C LYS A 11 6.818 9.638 -8.739 1.00 0.56 C ATOM 167 O LYS A 11 6.644 8.499 -8.301 1.00 0.57 O ATOM 168 CB LYS A 11 8.858 10.476 -10.030 1.00 0.96 C ATOM 169 CG LYS A 11 9.984 9.461 -9.805 1.00 1.49 C ATOM 170 CD LYS A 11 9.954 8.856 -8.399 1.00 2.74 C ATOM 171 CE LYS A 11 11.258 8.102 -8.120 1.00 3.23 C ATOM 172 NZ LYS A 11 11.284 7.568 -6.746 1.00 4.58 N ATOM 0 H LYS A 11 7.025 11.605 -11.206 1.00 0.71 H new ATOM 0 HA LYS A 11 7.550 8.899 -10.604 1.00 0.75 H new ATOM 0 HB2 LYS A 11 9.059 11.022 -10.952 1.00 0.96 H new ATOM 0 HB3 LYS A 11 8.877 11.203 -9.218 1.00 0.96 H new ATOM 0 HG2 LYS A 11 9.902 8.663 -10.543 1.00 1.49 H new ATOM 0 HG3 LYS A 11 10.946 9.948 -9.967 1.00 1.49 H new ATOM 0 HD2 LYS A 11 9.816 9.644 -7.659 1.00 2.74 H new ATOM 0 HD3 LYS A 11 9.106 8.178 -8.305 1.00 2.74 H new ATOM 0 HE2 LYS A 11 11.367 7.284 -8.832 1.00 3.23 H new ATOM 0 HE3 LYS A 11 12.106 8.770 -8.269 1.00 3.23 H new ATOM 0 HZ1 LYS A 11 12.179 7.063 -6.587 1.00 4.58 H new ATOM 0 HZ2 LYS A 11 11.203 8.352 -6.067 1.00 4.58 H new ATOM 0 HZ3 LYS A 11 10.488 6.912 -6.613 1.00 4.58 H new ATOM 186 N ARG A 12 6.458 10.729 -8.055 1.00 0.49 N ATOM 187 CA ARG A 12 5.904 10.599 -6.717 1.00 0.46 C ATOM 188 C ARG A 12 4.508 9.981 -6.721 1.00 0.34 C ATOM 189 O ARG A 12 4.131 9.329 -5.754 1.00 0.41 O ATOM 190 CB ARG A 12 5.973 11.899 -5.905 1.00 0.67 C ATOM 191 CG ARG A 12 5.163 13.051 -6.509 1.00 1.69 C ATOM 192 CD ARG A 12 4.738 14.059 -5.435 1.00 2.35 C ATOM 193 NE ARG A 12 3.722 13.473 -4.541 1.00 3.29 N ATOM 194 CZ ARG A 12 3.192 14.075 -3.464 1.00 4.20 C ATOM 195 NH1 ARG A 12 3.578 15.313 -3.135 1.00 4.58 N ATOM 196 NH2 ARG A 12 2.281 13.435 -2.722 1.00 5.41 N ATOM 0 H ARG A 12 6.540 11.685 -8.400 1.00 0.49 H new ATOM 0 HA ARG A 12 6.551 9.894 -6.195 1.00 0.46 H new ATOM 0 HB2 ARG A 12 5.613 11.705 -4.895 1.00 0.67 H new ATOM 0 HB3 ARG A 12 7.015 12.207 -5.818 1.00 0.67 H new ATOM 0 HG2 ARG A 12 5.758 13.557 -7.270 1.00 1.69 H new ATOM 0 HG3 ARG A 12 4.279 12.654 -7.008 1.00 1.69 H new ATOM 0 HD2 ARG A 12 5.607 14.366 -4.853 1.00 2.35 H new ATOM 0 HD3 ARG A 12 4.339 14.956 -5.909 1.00 2.35 H new ATOM 0 HE ARG A 12 3.395 12.532 -4.759 1.00 3.29 H new ATOM 0 HH11 ARG A 12 4.274 15.798 -3.702 1.00 4.58 H new ATOM 0 HH12 ARG A 12 3.177 15.772 -2.317 1.00 4.58 H new ATOM 0 HH21 ARG A 12 1.990 12.491 -2.975 1.00 5.41 H new ATOM 0 HH22 ARG A 12 1.878 13.891 -1.904 1.00 5.41 H new ATOM 210 N LEU A 13 3.760 10.127 -7.812 1.00 0.25 N ATOM 211 CA LEU A 13 2.486 9.448 -7.981 1.00 0.23 C ATOM 212 C LEU A 13 2.738 7.944 -8.012 1.00 0.22 C ATOM 213 O LEU A 13 2.090 7.197 -7.288 1.00 0.26 O ATOM 214 CB LEU A 13 1.742 9.953 -9.219 1.00 0.29 C ATOM 215 CG LEU A 13 0.417 9.225 -9.501 1.00 0.76 C ATOM 216 CD1 LEU A 13 -0.598 9.413 -8.367 1.00 1.87 C ATOM 217 CD2 LEU A 13 -0.174 9.764 -10.809 1.00 2.19 C ATOM 0 H LEU A 13 4.023 10.719 -8.600 1.00 0.25 H new ATOM 0 HA LEU A 13 1.830 9.671 -7.139 1.00 0.23 H new ATOM 0 HB2 LEU A 13 1.540 11.017 -9.098 1.00 0.29 H new ATOM 0 HB3 LEU A 13 2.393 9.849 -10.087 1.00 0.29 H new ATOM 0 HG LEU A 13 0.626 8.158 -9.580 1.00 0.76 H new ATOM 0 HD11 LEU A 13 -1.518 8.881 -8.610 1.00 1.87 H new ATOM 0 HD12 LEU A 13 -0.185 9.017 -7.439 1.00 1.87 H new ATOM 0 HD13 LEU A 13 -0.814 10.474 -8.244 1.00 1.87 H new ATOM 0 HD21 LEU A 13 -1.115 9.255 -11.020 1.00 2.19 H new ATOM 0 HD22 LEU A 13 -0.354 10.835 -10.713 1.00 2.19 H new ATOM 0 HD23 LEU A 13 0.526 9.586 -11.625 1.00 2.19 H new ATOM 229 N LEU A 14 3.708 7.495 -8.812 1.00 0.23 N ATOM 230 CA LEU A 14 4.066 6.088 -8.879 1.00 0.27 C ATOM 231 C LEU A 14 4.464 5.577 -7.488 1.00 0.22 C ATOM 232 O LEU A 14 3.977 4.543 -7.031 1.00 0.26 O ATOM 233 CB LEU A 14 5.174 5.897 -9.932 1.00 0.34 C ATOM 234 CG LEU A 14 5.244 4.514 -10.607 1.00 0.51 C ATOM 235 CD1 LEU A 14 5.415 3.360 -9.615 1.00 2.15 C ATOM 236 CD2 LEU A 14 4.034 4.251 -11.511 1.00 2.20 C ATOM 0 H LEU A 14 4.260 8.096 -9.424 1.00 0.23 H new ATOM 0 HA LEU A 14 3.210 5.491 -9.193 1.00 0.27 H new ATOM 0 HB2 LEU A 14 5.041 6.650 -10.709 1.00 0.34 H new ATOM 0 HB3 LEU A 14 6.135 6.095 -9.457 1.00 0.34 H new ATOM 0 HG LEU A 14 6.142 4.548 -11.224 1.00 0.51 H new ATOM 0 HD11 LEU A 14 5.457 2.416 -10.159 1.00 2.15 H new ATOM 0 HD12 LEU A 14 6.339 3.497 -9.054 1.00 2.15 H new ATOM 0 HD13 LEU A 14 4.571 3.345 -8.926 1.00 2.15 H new ATOM 0 HD21 LEU A 14 4.127 3.265 -11.965 1.00 2.20 H new ATOM 0 HD22 LEU A 14 3.121 4.293 -10.918 1.00 2.20 H new ATOM 0 HD23 LEU A 14 3.993 5.008 -12.294 1.00 2.20 H new ATOM 248 N VAL A 15 5.299 6.340 -6.777 1.00 0.17 N ATOM 249 CA VAL A 15 5.636 6.013 -5.393 1.00 0.20 C ATOM 250 C VAL A 15 4.360 5.891 -4.551 1.00 0.22 C ATOM 251 O VAL A 15 4.189 4.904 -3.841 1.00 0.27 O ATOM 252 CB VAL A 15 6.633 7.026 -4.803 1.00 0.27 C ATOM 253 CG1 VAL A 15 6.880 6.774 -3.308 1.00 0.42 C ATOM 254 CG2 VAL A 15 7.982 6.936 -5.527 1.00 0.35 C ATOM 0 H VAL A 15 5.750 7.182 -7.135 1.00 0.17 H new ATOM 0 HA VAL A 15 6.136 5.045 -5.375 1.00 0.20 H new ATOM 0 HB VAL A 15 6.193 8.014 -4.935 1.00 0.27 H new ATOM 0 HG11 VAL A 15 7.589 7.509 -2.927 1.00 0.42 H new ATOM 0 HG12 VAL A 15 5.940 6.862 -2.764 1.00 0.42 H new ATOM 0 HG13 VAL A 15 7.287 5.772 -3.170 1.00 0.42 H new ATOM 0 HG21 VAL A 15 8.675 7.659 -5.097 1.00 0.35 H new ATOM 0 HG22 VAL A 15 8.389 5.931 -5.414 1.00 0.35 H new ATOM 0 HG23 VAL A 15 7.842 7.153 -6.586 1.00 0.35 H new ATOM 264 N VAL A 16 3.455 6.871 -4.628 1.00 0.24 N ATOM 265 CA VAL A 16 2.198 6.829 -3.895 1.00 0.31 C ATOM 266 C VAL A 16 1.430 5.553 -4.242 1.00 0.34 C ATOM 267 O VAL A 16 0.962 4.878 -3.333 1.00 0.39 O ATOM 268 CB VAL A 16 1.380 8.116 -4.115 1.00 0.34 C ATOM 269 CG1 VAL A 16 -0.082 7.964 -3.670 1.00 0.47 C ATOM 270 CG2 VAL A 16 1.997 9.273 -3.317 1.00 0.40 C ATOM 0 H VAL A 16 3.577 7.708 -5.198 1.00 0.24 H new ATOM 0 HA VAL A 16 2.406 6.793 -2.826 1.00 0.31 H new ATOM 0 HB VAL A 16 1.401 8.319 -5.186 1.00 0.34 H new ATOM 0 HG11 VAL A 16 -0.615 8.898 -3.846 1.00 0.47 H new ATOM 0 HG12 VAL A 16 -0.554 7.164 -4.240 1.00 0.47 H new ATOM 0 HG13 VAL A 16 -0.116 7.722 -2.608 1.00 0.47 H new ATOM 0 HG21 VAL A 16 1.412 10.179 -3.478 1.00 0.40 H new ATOM 0 HG22 VAL A 16 1.996 9.024 -2.256 1.00 0.40 H new ATOM 0 HG23 VAL A 16 3.022 9.439 -3.649 1.00 0.40 H new ATOM 280 N VAL A 17 1.316 5.187 -5.521 1.00 0.33 N ATOM 281 CA VAL A 17 0.657 3.959 -5.923 1.00 0.38 C ATOM 282 C VAL A 17 1.292 2.764 -5.200 1.00 0.37 C ATOM 283 O VAL A 17 0.594 1.977 -4.561 1.00 0.39 O ATOM 284 CB VAL A 17 0.667 3.828 -7.457 1.00 0.40 C ATOM 285 CG1 VAL A 17 0.209 2.438 -7.907 1.00 0.49 C ATOM 286 CG2 VAL A 17 -0.268 4.870 -8.087 1.00 0.45 C ATOM 0 H VAL A 17 1.679 5.737 -6.299 1.00 0.33 H new ATOM 0 HA VAL A 17 -0.391 3.980 -5.626 1.00 0.38 H new ATOM 0 HB VAL A 17 1.694 3.990 -7.785 1.00 0.40 H new ATOM 0 HG11 VAL A 17 0.229 2.383 -8.995 1.00 0.49 H new ATOM 0 HG12 VAL A 17 0.877 1.683 -7.493 1.00 0.49 H new ATOM 0 HG13 VAL A 17 -0.806 2.257 -7.553 1.00 0.49 H new ATOM 0 HG21 VAL A 17 -0.251 4.766 -9.172 1.00 0.45 H new ATOM 0 HG22 VAL A 17 -1.284 4.714 -7.724 1.00 0.45 H new ATOM 0 HG23 VAL A 17 0.066 5.871 -7.814 1.00 0.45 H new ATOM 296 N VAL A 18 2.620 2.636 -5.267 1.00 0.34 N ATOM 297 CA VAL A 18 3.329 1.570 -4.579 1.00 0.35 C ATOM 298 C VAL A 18 3.021 1.588 -3.077 1.00 0.36 C ATOM 299 O VAL A 18 2.737 0.543 -2.491 1.00 0.38 O ATOM 300 CB VAL A 18 4.838 1.637 -4.881 1.00 0.34 C ATOM 301 CG1 VAL A 18 5.629 0.621 -4.046 1.00 0.38 C ATOM 302 CG2 VAL A 18 5.098 1.340 -6.364 1.00 0.35 C ATOM 0 H VAL A 18 3.223 3.265 -5.796 1.00 0.34 H new ATOM 0 HA VAL A 18 2.975 0.611 -4.956 1.00 0.35 H new ATOM 0 HB VAL A 18 5.168 2.644 -4.628 1.00 0.34 H new ATOM 0 HG11 VAL A 18 6.689 0.699 -4.287 1.00 0.38 H new ATOM 0 HG12 VAL A 18 5.482 0.828 -2.986 1.00 0.38 H new ATOM 0 HG13 VAL A 18 5.279 -0.386 -4.271 1.00 0.38 H new ATOM 0 HG21 VAL A 18 6.168 1.391 -6.563 1.00 0.35 H new ATOM 0 HG22 VAL A 18 4.731 0.342 -6.605 1.00 0.35 H new ATOM 0 HG23 VAL A 18 4.579 2.076 -6.979 1.00 0.35 H new ATOM 312 N VAL A 19 3.058 2.765 -2.447 1.00 0.34 N ATOM 313 CA VAL A 19 2.784 2.893 -1.026 1.00 0.34 C ATOM 314 C VAL A 19 1.365 2.408 -0.746 1.00 0.34 C ATOM 315 O VAL A 19 1.161 1.628 0.175 1.00 0.33 O ATOM 316 CB VAL A 19 3.041 4.331 -0.542 1.00 0.34 C ATOM 317 CG1 VAL A 19 2.506 4.561 0.879 1.00 0.37 C ATOM 318 CG2 VAL A 19 4.548 4.623 -0.538 1.00 0.34 C ATOM 0 H VAL A 19 3.278 3.647 -2.910 1.00 0.34 H new ATOM 0 HA VAL A 19 3.467 2.264 -0.455 1.00 0.34 H new ATOM 0 HB VAL A 19 2.519 4.997 -1.229 1.00 0.34 H new ATOM 0 HG11 VAL A 19 2.708 5.588 1.182 1.00 0.37 H new ATOM 0 HG12 VAL A 19 1.431 4.382 0.896 1.00 0.37 H new ATOM 0 HG13 VAL A 19 2.999 3.876 1.569 1.00 0.37 H new ATOM 0 HG21 VAL A 19 4.720 5.643 -0.194 1.00 0.34 H new ATOM 0 HG22 VAL A 19 5.052 3.925 0.130 1.00 0.34 H new ATOM 0 HG23 VAL A 19 4.943 4.509 -1.547 1.00 0.34 H new ATOM 328 N VAL A 20 0.393 2.833 -1.552 1.00 0.36 N ATOM 329 CA VAL A 20 -0.988 2.401 -1.442 1.00 0.38 C ATOM 330 C VAL A 20 -1.069 0.874 -1.510 1.00 0.37 C ATOM 331 O VAL A 20 -1.693 0.258 -0.649 1.00 0.37 O ATOM 332 CB VAL A 20 -1.878 3.113 -2.479 1.00 0.41 C ATOM 333 CG1 VAL A 20 -3.270 2.474 -2.577 1.00 0.46 C ATOM 334 CG2 VAL A 20 -2.062 4.588 -2.094 1.00 0.41 C ATOM 0 H VAL A 20 0.552 3.497 -2.310 1.00 0.36 H new ATOM 0 HA VAL A 20 -1.382 2.693 -0.469 1.00 0.38 H new ATOM 0 HB VAL A 20 -1.375 3.021 -3.442 1.00 0.41 H new ATOM 0 HG11 VAL A 20 -3.864 3.007 -3.319 1.00 0.46 H new ATOM 0 HG12 VAL A 20 -3.171 1.430 -2.873 1.00 0.46 H new ATOM 0 HG13 VAL A 20 -3.765 2.530 -1.608 1.00 0.46 H new ATOM 0 HG21 VAL A 20 -2.693 5.081 -2.834 1.00 0.41 H new ATOM 0 HG22 VAL A 20 -2.535 4.652 -1.114 1.00 0.41 H new ATOM 0 HG23 VAL A 20 -1.090 5.079 -2.061 1.00 0.41 H new ATOM 344 N VAL A 21 -0.429 0.246 -2.500 1.00 0.38 N ATOM 345 CA VAL A 21 -0.413 -1.199 -2.624 1.00 0.39 C ATOM 346 C VAL A 21 0.175 -1.843 -1.362 1.00 0.36 C ATOM 347 O VAL A 21 -0.400 -2.787 -0.821 1.00 0.34 O ATOM 348 CB VAL A 21 0.364 -1.555 -3.899 1.00 0.44 C ATOM 349 CG1 VAL A 21 0.667 -3.048 -3.972 1.00 0.48 C ATOM 350 CG2 VAL A 21 -0.439 -1.162 -5.147 1.00 0.46 C ATOM 0 H VAL A 21 0.089 0.731 -3.233 1.00 0.38 H new ATOM 0 HA VAL A 21 -1.424 -1.596 -2.713 1.00 0.39 H new ATOM 0 HB VAL A 21 1.302 -1.001 -3.865 1.00 0.44 H new ATOM 0 HG11 VAL A 21 1.218 -3.263 -4.888 1.00 0.48 H new ATOM 0 HG12 VAL A 21 1.267 -3.340 -3.110 1.00 0.48 H new ATOM 0 HG13 VAL A 21 -0.267 -3.609 -3.970 1.00 0.48 H new ATOM 0 HG21 VAL A 21 0.128 -1.422 -6.041 1.00 0.46 H new ATOM 0 HG22 VAL A 21 -1.389 -1.696 -5.151 1.00 0.46 H new ATOM 0 HG23 VAL A 21 -0.627 -0.088 -5.136 1.00 0.46 H new ATOM 360 N LEU A 22 1.309 -1.334 -0.877 1.00 0.37 N ATOM 361 CA LEU A 22 1.949 -1.819 0.330 1.00 0.37 C ATOM 362 C LEU A 22 0.981 -1.681 1.514 1.00 0.32 C ATOM 363 O LEU A 22 0.787 -2.627 2.273 1.00 0.31 O ATOM 364 CB LEU A 22 3.304 -1.089 0.461 1.00 0.41 C ATOM 365 CG LEU A 22 3.718 -0.703 1.878 1.00 0.43 C ATOM 366 CD1 LEU A 22 4.065 -1.928 2.733 1.00 0.48 C ATOM 367 CD2 LEU A 22 4.935 0.228 1.839 1.00 0.47 C ATOM 0 H LEU A 22 1.808 -0.564 -1.323 1.00 0.37 H new ATOM 0 HA LEU A 22 2.180 -2.884 0.302 1.00 0.37 H new ATOM 0 HB2 LEU A 22 4.080 -1.726 0.037 1.00 0.41 H new ATOM 0 HB3 LEU A 22 3.267 -0.184 -0.145 1.00 0.41 H new ATOM 0 HG LEU A 22 2.865 -0.197 2.330 1.00 0.43 H new ATOM 0 HD11 LEU A 22 4.354 -1.604 3.733 1.00 0.48 H new ATOM 0 HD12 LEU A 22 3.196 -2.583 2.800 1.00 0.48 H new ATOM 0 HD13 LEU A 22 4.892 -2.469 2.274 1.00 0.48 H new ATOM 0 HD21 LEU A 22 5.221 0.496 2.856 1.00 0.47 H new ATOM 0 HD22 LEU A 22 5.766 -0.280 1.351 1.00 0.47 H new ATOM 0 HD23 LEU A 22 4.685 1.131 1.282 1.00 0.47 H new ATOM 379 N VAL A 23 0.332 -0.527 1.663 1.00 0.32 N ATOM 380 CA VAL A 23 -0.606 -0.252 2.723 1.00 0.31 C ATOM 381 C VAL A 23 -1.791 -1.208 2.629 1.00 0.27 C ATOM 382 O VAL A 23 -2.242 -1.718 3.650 1.00 0.25 O ATOM 383 CB VAL A 23 -0.983 1.235 2.636 1.00 0.34 C ATOM 384 CG1 VAL A 23 -2.285 1.541 3.363 1.00 0.36 C ATOM 385 CG2 VAL A 23 0.141 2.099 3.225 1.00 0.36 C ATOM 0 H VAL A 23 0.456 0.259 1.024 1.00 0.32 H new ATOM 0 HA VAL A 23 -0.176 -0.426 3.710 1.00 0.31 H new ATOM 0 HB VAL A 23 -1.124 1.469 1.581 1.00 0.34 H new ATOM 0 HG11 VAL A 23 -2.510 2.604 3.274 1.00 0.36 H new ATOM 0 HG12 VAL A 23 -3.094 0.960 2.920 1.00 0.36 H new ATOM 0 HG13 VAL A 23 -2.184 1.278 4.416 1.00 0.36 H new ATOM 0 HG21 VAL A 23 -0.136 3.151 3.159 1.00 0.36 H new ATOM 0 HG22 VAL A 23 0.297 1.830 4.270 1.00 0.36 H new ATOM 0 HG23 VAL A 23 1.061 1.930 2.665 1.00 0.36 H new ATOM 395 N VAL A 24 -2.287 -1.496 1.426 1.00 0.28 N ATOM 396 CA VAL A 24 -3.327 -2.457 1.220 1.00 0.27 C ATOM 397 C VAL A 24 -2.846 -3.839 1.662 1.00 0.23 C ATOM 398 O VAL A 24 -3.538 -4.505 2.423 1.00 0.19 O ATOM 399 CB VAL A 24 -3.759 -2.342 -0.249 1.00 0.32 C ATOM 400 CG1 VAL A 24 -4.404 -3.620 -0.748 1.00 0.32 C ATOM 401 CG2 VAL A 24 -4.722 -1.161 -0.423 1.00 0.36 C ATOM 0 H VAL A 24 -1.962 -1.053 0.567 1.00 0.28 H new ATOM 0 HA VAL A 24 -4.212 -2.274 1.829 1.00 0.27 H new ATOM 0 HB VAL A 24 -2.863 -2.170 -0.846 1.00 0.32 H new ATOM 0 HG11 VAL A 24 -4.695 -3.497 -1.791 1.00 0.32 H new ATOM 0 HG12 VAL A 24 -3.694 -4.443 -0.664 1.00 0.32 H new ATOM 0 HG13 VAL A 24 -5.287 -3.840 -0.148 1.00 0.32 H new ATOM 0 HG21 VAL A 24 -5.023 -1.088 -1.468 1.00 0.36 H new ATOM 0 HG22 VAL A 24 -5.604 -1.316 0.198 1.00 0.36 H new ATOM 0 HG23 VAL A 24 -4.225 -0.239 -0.123 1.00 0.36 H new ATOM 411 N VAL A 25 -1.653 -4.272 1.249 1.00 0.26 N ATOM 412 CA VAL A 25 -1.069 -5.507 1.730 1.00 0.26 C ATOM 413 C VAL A 25 -0.974 -5.520 3.258 1.00 0.22 C ATOM 414 O VAL A 25 -1.257 -6.540 3.881 1.00 0.20 O ATOM 415 CB VAL A 25 0.270 -5.750 1.011 1.00 0.32 C ATOM 416 CG1 VAL A 25 1.340 -6.400 1.889 1.00 0.32 C ATOM 417 CG2 VAL A 25 -0.010 -6.648 -0.194 1.00 0.38 C ATOM 0 H VAL A 25 -1.074 -3.772 0.574 1.00 0.26 H new ATOM 0 HA VAL A 25 -1.717 -6.349 1.486 1.00 0.26 H new ATOM 0 HB VAL A 25 0.672 -4.778 0.723 1.00 0.32 H new ATOM 0 HG11 VAL A 25 2.253 -6.537 1.309 1.00 0.32 H new ATOM 0 HG12 VAL A 25 1.547 -5.758 2.745 1.00 0.32 H new ATOM 0 HG13 VAL A 25 0.984 -7.369 2.240 1.00 0.32 H new ATOM 0 HG21 VAL A 25 0.920 -6.841 -0.728 1.00 0.38 H new ATOM 0 HG22 VAL A 25 -0.435 -7.592 0.147 1.00 0.38 H new ATOM 0 HG23 VAL A 25 -0.715 -6.152 -0.861 1.00 0.38 H new ATOM 427 N VAL A 26 -0.602 -4.395 3.869 1.00 0.23 N ATOM 428 CA VAL A 26 -0.509 -4.291 5.317 1.00 0.24 C ATOM 429 C VAL A 26 -1.907 -4.463 5.907 1.00 0.20 C ATOM 430 O VAL A 26 -2.073 -5.209 6.866 1.00 0.20 O ATOM 431 CB VAL A 26 0.178 -2.980 5.728 1.00 0.30 C ATOM 432 CG1 VAL A 26 -0.179 -2.516 7.147 1.00 0.34 C ATOM 433 CG2 VAL A 26 1.699 -3.116 5.590 1.00 0.35 C ATOM 0 H VAL A 26 -0.359 -3.537 3.373 1.00 0.23 H new ATOM 0 HA VAL A 26 0.121 -5.083 5.721 1.00 0.24 H new ATOM 0 HB VAL A 26 -0.196 -2.214 5.049 1.00 0.30 H new ATOM 0 HG11 VAL A 26 0.343 -1.585 7.367 1.00 0.34 H new ATOM 0 HG12 VAL A 26 -1.255 -2.355 7.217 1.00 0.34 H new ATOM 0 HG13 VAL A 26 0.121 -3.279 7.866 1.00 0.34 H new ATOM 0 HG21 VAL A 26 2.176 -2.181 5.884 1.00 0.35 H new ATOM 0 HG22 VAL A 26 2.052 -3.922 6.234 1.00 0.35 H new ATOM 0 HG23 VAL A 26 1.952 -3.342 4.554 1.00 0.35 H new ATOM 443 N ILE A 27 -2.920 -3.808 5.331 1.00 0.20 N ATOM 444 CA ILE A 27 -4.291 -3.919 5.782 1.00 0.19 C ATOM 445 C ILE A 27 -4.725 -5.384 5.671 1.00 0.15 C ATOM 446 O ILE A 27 -5.343 -5.923 6.586 1.00 0.17 O ATOM 447 CB ILE A 27 -5.176 -2.949 4.979 1.00 0.22 C ATOM 448 CG1 ILE A 27 -5.084 -1.553 5.622 1.00 0.30 C ATOM 449 CG2 ILE A 27 -6.646 -3.396 4.933 1.00 0.23 C ATOM 450 CD1 ILE A 27 -5.516 -0.437 4.665 1.00 0.34 C ATOM 0 H ILE A 27 -2.800 -3.184 4.533 1.00 0.20 H new ATOM 0 HA ILE A 27 -4.394 -3.631 6.828 1.00 0.19 H new ATOM 0 HB ILE A 27 -4.813 -2.933 3.951 1.00 0.22 H new ATOM 0 HG12 ILE A 27 -5.710 -1.525 6.514 1.00 0.30 H new ATOM 0 HG13 ILE A 27 -4.059 -1.373 5.946 1.00 0.30 H new ATOM 0 HG21 ILE A 27 -7.227 -2.677 4.355 1.00 0.23 H new ATOM 0 HG22 ILE A 27 -6.713 -4.378 4.464 1.00 0.23 H new ATOM 0 HG23 ILE A 27 -7.042 -3.450 5.947 1.00 0.23 H new ATOM 0 HD11 ILE A 27 -5.432 0.526 5.168 1.00 0.34 H new ATOM 0 HD12 ILE A 27 -4.874 -0.444 3.785 1.00 0.34 H new ATOM 0 HD13 ILE A 27 -6.550 -0.599 4.361 1.00 0.34 H new ATOM 462 N VAL A 28 -4.384 -6.040 4.558 1.00 0.14 N ATOM 463 CA VAL A 28 -4.756 -7.423 4.320 1.00 0.17 C ATOM 464 C VAL A 28 -4.104 -8.310 5.380 1.00 0.16 C ATOM 465 O VAL A 28 -4.797 -9.052 6.070 1.00 0.21 O ATOM 466 CB VAL A 28 -4.407 -7.822 2.876 1.00 0.23 C ATOM 467 CG1 VAL A 28 -4.463 -9.338 2.673 1.00 0.29 C ATOM 468 CG2 VAL A 28 -5.391 -7.168 1.895 1.00 0.27 C ATOM 0 H VAL A 28 -3.843 -5.621 3.802 1.00 0.14 H new ATOM 0 HA VAL A 28 -5.833 -7.557 4.416 1.00 0.17 H new ATOM 0 HB VAL A 28 -3.390 -7.479 2.688 1.00 0.23 H new ATOM 0 HG11 VAL A 28 -4.210 -9.576 1.640 1.00 0.29 H new ATOM 0 HG12 VAL A 28 -3.751 -9.821 3.342 1.00 0.29 H new ATOM 0 HG13 VAL A 28 -5.468 -9.698 2.893 1.00 0.29 H new ATOM 0 HG21 VAL A 28 -5.135 -7.457 0.876 1.00 0.27 H new ATOM 0 HG22 VAL A 28 -6.405 -7.498 2.122 1.00 0.27 H new ATOM 0 HG23 VAL A 28 -5.333 -6.084 1.990 1.00 0.27 H new ATOM 478 N GLY A 29 -2.783 -8.221 5.544 1.00 0.16 N ATOM 479 CA GLY A 29 -2.085 -8.952 6.593 1.00 0.18 C ATOM 480 C GLY A 29 -2.703 -8.690 7.968 1.00 0.20 C ATOM 481 O GLY A 29 -2.958 -9.622 8.730 1.00 0.28 O ATOM 0 H GLY A 29 -2.176 -7.646 4.959 1.00 0.16 H new ATOM 0 HA2 GLY A 29 -2.117 -10.020 6.376 1.00 0.18 H new ATOM 0 HA3 GLY A 29 -1.035 -8.660 6.604 1.00 0.18 H new ATOM 485 N ALA A 30 -2.955 -7.419 8.284 1.00 0.21 N ATOM 486 CA ALA A 30 -3.538 -7.007 9.552 1.00 0.31 C ATOM 487 C ALA A 30 -4.923 -7.629 9.753 1.00 0.37 C ATOM 488 O ALA A 30 -5.252 -8.061 10.854 1.00 0.56 O ATOM 489 CB ALA A 30 -3.605 -5.480 9.633 1.00 0.39 C ATOM 0 H ALA A 30 -2.756 -6.641 7.656 1.00 0.21 H new ATOM 0 HA ALA A 30 -2.897 -7.368 10.356 1.00 0.31 H new ATOM 0 HB1 ALA A 30 -4.043 -5.185 10.587 1.00 0.39 H new ATOM 0 HB2 ALA A 30 -2.600 -5.067 9.552 1.00 0.39 H new ATOM 0 HB3 ALA A 30 -4.220 -5.099 8.818 1.00 0.39 H new ATOM 495 N LEU A 31 -5.737 -7.699 8.697 1.00 0.30 N ATOM 496 CA LEU A 31 -7.015 -8.360 8.729 1.00 0.37 C ATOM 497 C LEU A 31 -6.776 -9.851 9.002 1.00 0.44 C ATOM 498 O LEU A 31 -7.342 -10.396 9.948 1.00 0.62 O ATOM 499 CB LEU A 31 -7.734 -8.007 7.416 1.00 0.33 C ATOM 500 CG LEU A 31 -8.819 -9.002 7.042 1.00 0.46 C ATOM 501 CD1 LEU A 31 -9.967 -9.029 8.057 1.00 0.58 C ATOM 502 CD2 LEU A 31 -9.363 -8.700 5.642 1.00 0.49 C ATOM 0 H LEU A 31 -5.511 -7.289 7.791 1.00 0.30 H new ATOM 0 HA LEU A 31 -7.677 -8.035 9.531 1.00 0.37 H new ATOM 0 HB2 LEU A 31 -8.176 -7.015 7.507 1.00 0.33 H new ATOM 0 HB3 LEU A 31 -7.002 -7.958 6.610 1.00 0.33 H new ATOM 0 HG LEU A 31 -8.358 -9.990 7.048 1.00 0.46 H new ATOM 0 HD11 LEU A 31 -10.715 -9.757 7.741 1.00 0.58 H new ATOM 0 HD12 LEU A 31 -9.580 -9.308 9.037 1.00 0.58 H new ATOM 0 HD13 LEU A 31 -10.424 -8.041 8.116 1.00 0.58 H new ATOM 0 HD21 LEU A 31 -10.139 -9.422 5.390 1.00 0.49 H new ATOM 0 HD22 LEU A 31 -9.783 -7.694 5.624 1.00 0.49 H new ATOM 0 HD23 LEU A 31 -8.554 -8.768 4.915 1.00 0.49 H new ATOM 514 N LEU A 32 -5.915 -10.503 8.211 1.00 0.36 N ATOM 515 CA LEU A 32 -5.645 -11.933 8.323 1.00 0.44 C ATOM 516 C LEU A 32 -5.187 -12.321 9.731 1.00 0.42 C ATOM 517 O LEU A 32 -5.624 -13.342 10.254 1.00 0.48 O ATOM 518 CB LEU A 32 -4.618 -12.374 7.269 1.00 0.59 C ATOM 519 CG LEU A 32 -5.164 -12.349 5.830 1.00 0.91 C ATOM 520 CD1 LEU A 32 -3.999 -12.495 4.846 1.00 1.58 C ATOM 521 CD2 LEU A 32 -6.169 -13.481 5.577 1.00 1.60 C ATOM 0 H LEU A 32 -5.384 -10.045 7.470 1.00 0.36 H new ATOM 0 HA LEU A 32 -6.581 -12.458 8.135 1.00 0.44 H new ATOM 0 HB2 LEU A 32 -3.745 -11.723 7.329 1.00 0.59 H new ATOM 0 HB3 LEU A 32 -4.280 -13.383 7.503 1.00 0.59 H new ATOM 0 HG LEU A 32 -5.679 -11.399 5.687 1.00 0.91 H new ATOM 0 HD11 LEU A 32 -4.381 -12.478 3.825 1.00 1.58 H new ATOM 0 HD12 LEU A 32 -3.299 -11.671 4.986 1.00 1.58 H new ATOM 0 HD13 LEU A 32 -3.487 -13.440 5.026 1.00 1.58 H new ATOM 0 HD21 LEU A 32 -6.529 -13.425 4.550 1.00 1.60 H new ATOM 0 HD22 LEU A 32 -5.682 -14.443 5.740 1.00 1.60 H new ATOM 0 HD23 LEU A 32 -7.011 -13.380 6.262 1.00 1.60 H new ATOM 533 N MET A 33 -4.315 -11.522 10.352 1.00 0.39 N ATOM 534 CA MET A 33 -3.874 -11.777 11.721 1.00 0.45 C ATOM 535 C MET A 33 -4.927 -11.362 12.762 1.00 0.62 C ATOM 536 O MET A 33 -4.770 -11.675 13.940 1.00 1.07 O ATOM 537 CB MET A 33 -2.515 -11.100 11.970 1.00 0.62 C ATOM 538 CG MET A 33 -2.619 -9.592 12.196 1.00 1.94 C ATOM 539 SD MET A 33 -1.061 -8.704 12.467 1.00 2.69 S ATOM 540 CE MET A 33 -0.148 -9.045 10.946 1.00 3.35 C ATOM 0 H MET A 33 -3.902 -10.693 9.926 1.00 0.39 H new ATOM 0 HA MET A 33 -3.748 -12.853 11.841 1.00 0.45 H new ATOM 0 HB2 MET A 33 -2.043 -11.558 12.839 1.00 0.62 H new ATOM 0 HB3 MET A 33 -1.863 -11.288 11.117 1.00 0.62 H new ATOM 0 HG2 MET A 33 -3.117 -9.151 11.332 1.00 1.94 H new ATOM 0 HG3 MET A 33 -3.264 -9.420 13.058 1.00 1.94 H new ATOM 0 HE1 MET A 33 0.752 -8.431 10.916 1.00 3.35 H new ATOM 0 HE2 MET A 33 0.130 -10.098 10.917 1.00 3.35 H new ATOM 0 HE3 MET A 33 -0.775 -8.812 10.085 1.00 3.35 H new ATOM 550 N GLY A 34 -5.942 -10.593 12.353 1.00 0.49 N ATOM 551 CA GLY A 34 -6.848 -9.887 13.245 1.00 0.89 C ATOM 552 C GLY A 34 -8.196 -10.583 13.420 1.00 1.69 C ATOM 553 O GLY A 34 -8.740 -10.556 14.523 1.00 2.40 O ATOM 0 H GLY A 34 -6.155 -10.445 11.367 1.00 0.49 H new ATOM 0 HA2 GLY A 34 -6.374 -9.780 14.221 1.00 0.89 H new ATOM 0 HA3 GLY A 34 -7.015 -8.881 12.859 1.00 0.89 H new ATOM 557 N LEU A 35 -8.770 -11.122 12.338 1.00 2.86 N ATOM 558 CA LEU A 35 -10.097 -11.734 12.402 1.00 4.68 C ATOM 559 C LEU A 35 -10.102 -13.027 13.224 1.00 6.12 C ATOM 560 O LEU A 35 -11.187 -13.439 13.631 1.00 7.26 O ATOM 561 CB LEU A 35 -10.716 -11.921 11.004 1.00 5.89 C ATOM 562 CG LEU A 35 -10.343 -13.215 10.256 1.00 7.28 C ATOM 563 CD1 LEU A 35 -11.180 -13.317 8.976 1.00 8.56 C ATOM 564 CD2 LEU A 35 -8.862 -13.268 9.877 1.00 7.67 C ATOM 565 OXT LEU A 35 -9.062 -13.677 13.310 1.00 6.75 O ATOM 0 H LEU A 35 -8.338 -11.146 11.414 1.00 2.86 H new ATOM 0 HA LEU A 35 -10.740 -11.033 12.934 1.00 4.68 H new ATOM 0 HB2 LEU A 35 -11.801 -11.885 11.103 1.00 5.89 H new ATOM 0 HB3 LEU A 35 -10.424 -11.073 10.385 1.00 5.89 H new ATOM 0 HG LEU A 35 -10.546 -14.048 10.929 1.00 7.28 H new ATOM 0 HD11 LEU A 35 -10.920 -14.231 8.443 1.00 8.56 H new ATOM 0 HD12 LEU A 35 -12.239 -13.336 9.234 1.00 8.56 H new ATOM 0 HD13 LEU A 35 -10.978 -12.456 8.339 1.00 8.56 H new ATOM 0 HD21 LEU A 35 -8.654 -14.201 9.352 1.00 7.67 H new ATOM 0 HD22 LEU A 35 -8.622 -12.425 9.228 1.00 7.67 H new ATOM 0 HD23 LEU A 35 -8.253 -13.216 10.780 1.00 7.67 H new TER 577 LEU A 35