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+ -118:sc= 0.0405 (180deg=-1.68!) USER MOD Single : A 5 CYS SG : rot 37:sc= 0.234 USER MOD Single : A 6 CYS SG : rot 180:sc= -0.29 USER MOD Single : A 9 ASN : amide:sc= -1.11 K(o=-1.1,f=-8.3!) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.057) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 18.756 5.425 -14.388 1.00 20.88 N ATOM 2 CA LEU A 1 17.522 6.093 -13.930 1.00 19.62 C ATOM 3 C LEU A 1 16.475 4.999 -13.743 1.00 19.38 C ATOM 4 O LEU A 1 16.723 3.884 -14.197 1.00 20.07 O ATOM 5 CB LEU A 1 17.033 7.135 -14.952 1.00 18.61 C ATOM 6 CG LEU A 1 17.691 8.517 -14.795 1.00 18.51 C ATOM 7 CD1 LEU A 1 19.214 8.493 -14.974 1.00 19.57 C ATOM 8 CD2 LEU A 1 17.077 9.474 -15.824 1.00 17.46 C ATOM 0 H1 LEU A 1 19.512 5.575 -13.689 1.00 20.88 H new ATOM 0 H2 LEU A 1 18.580 4.406 -14.494 1.00 20.88 H new ATOM 0 H3 LEU A 1 19.047 5.823 -15.304 1.00 20.88 H new ATOM 0 HA LEU A 1 17.705 6.631 -13.000 1.00 19.62 H new ATOM 0 HB2 LEU A 1 17.228 6.763 -15.958 1.00 18.61 H new ATOM 0 HB3 LEU A 1 15.953 7.245 -14.856 1.00 18.61 H new ATOM 0 HG LEU A 1 17.502 8.849 -13.774 1.00 18.51 H new ATOM 0 HD11 LEU A 1 19.611 9.501 -14.850 1.00 19.57 H new ATOM 0 HD12 LEU A 1 19.658 7.834 -14.228 1.00 19.57 H new ATOM 0 HD13 LEU A 1 19.457 8.127 -15.972 1.00 19.57 H new ATOM 0 HD21 LEU A 1 17.535 10.458 -15.724 1.00 17.46 H new ATOM 0 HD22 LEU A 1 17.256 9.091 -16.829 1.00 17.46 H new ATOM 0 HD23 LEU A 1 16.004 9.554 -15.652 1.00 17.46 H new ATOM 22 N ARG A 2 15.342 5.308 -13.108 1.00 18.70 N ATOM 23 CA ARG A 2 14.121 4.519 -13.190 1.00 18.45 C ATOM 24 C ARG A 2 13.057 5.456 -13.766 1.00 16.46 C ATOM 25 O ARG A 2 13.229 6.672 -13.694 1.00 15.67 O ATOM 26 CB ARG A 2 13.688 4.001 -11.808 1.00 19.80 C ATOM 27 CG ARG A 2 14.541 2.843 -11.265 1.00 21.20 C ATOM 28 CD ARG A 2 15.781 3.312 -10.490 1.00 21.66 C ATOM 29 NE ARG A 2 16.503 2.177 -9.884 1.00 22.86 N ATOM 30 CZ ARG A 2 16.190 1.573 -8.723 1.00 24.04 C ATOM 31 NH1 ARG A 2 15.112 1.962 -8.034 1.00 24.23 N ATOM 32 NH2 ARG A 2 16.957 0.580 -8.256 1.00 25.16 N ATOM 0 H ARG A 2 15.251 6.131 -12.512 1.00 18.70 H new ATOM 0 HA ARG A 2 14.270 3.638 -13.814 1.00 18.45 H new ATOM 0 HB2 ARG A 2 13.724 4.826 -11.097 1.00 19.80 H new ATOM 0 HB3 ARG A 2 12.650 3.675 -11.865 1.00 19.80 H new ATOM 0 HG2 ARG A 2 13.926 2.223 -10.612 1.00 21.20 H new ATOM 0 HG3 ARG A 2 14.858 2.213 -12.097 1.00 21.20 H new ATOM 0 HD2 ARG A 2 16.448 3.852 -11.162 1.00 21.66 H new ATOM 0 HD3 ARG A 2 15.480 4.011 -9.710 1.00 21.66 H new ATOM 0 HE ARG A 2 17.312 1.818 -10.391 1.00 22.86 H new ATOM 0 HH11 ARG A 2 14.526 2.718 -8.388 1.00 24.23 H new ATOM 0 HH12 ARG A 2 14.876 1.503 -7.154 1.00 24.23 H new ATOM 0 HH21 ARG A 2 17.779 0.281 -8.780 1.00 25.16 H new ATOM 0 HH22 ARG A 2 16.719 0.123 -7.376 1.00 25.16 H new ATOM 46 N ILE A 3 11.988 4.895 -14.339 1.00 15.92 N ATOM 47 CA ILE A 3 10.898 5.632 -14.972 1.00 14.34 C ATOM 48 C ILE A 3 11.443 6.671 -15.971 1.00 12.71 C ATOM 49 O ILE A 3 11.327 7.876 -15.746 1.00 11.93 O ATOM 50 CB ILE A 3 9.963 6.229 -13.897 1.00 14.48 C ATOM 51 CG1 ILE A 3 9.572 5.212 -12.805 1.00 16.35 C ATOM 52 CG2 ILE A 3 8.690 6.833 -14.517 1.00 13.80 C ATOM 53 CD1 ILE A 3 8.901 3.937 -13.332 1.00 17.57 C ATOM 0 H ILE A 3 11.856 3.884 -14.374 1.00 15.92 H new ATOM 0 HA ILE A 3 10.289 4.948 -15.564 1.00 14.34 H new ATOM 0 HB ILE A 3 10.540 7.023 -13.422 1.00 14.48 H new ATOM 0 HG12 ILE A 3 10.467 4.933 -12.249 1.00 16.35 H new ATOM 0 HG13 ILE A 3 8.897 5.697 -12.100 1.00 16.35 H new ATOM 0 HG21 ILE A 3 8.060 7.242 -13.727 1.00 13.80 H new ATOM 0 HG22 ILE A 3 8.965 7.628 -15.210 1.00 13.80 H new ATOM 0 HG23 ILE A 3 8.143 6.057 -15.053 1.00 13.80 H new ATOM 0 HD11 ILE A 3 8.661 3.280 -12.496 1.00 17.57 H new ATOM 0 HD12 ILE A 3 7.985 4.200 -13.861 1.00 17.57 H new ATOM 0 HD13 ILE A 3 9.579 3.424 -14.013 1.00 17.57 H new ATOM 65 N PRO A 4 12.030 6.232 -17.099 1.00 12.48 N ATOM 66 CA PRO A 4 12.514 7.125 -18.144 1.00 11.39 C ATOM 67 C PRO A 4 11.323 7.676 -18.939 1.00 10.19 C ATOM 68 O PRO A 4 11.159 7.385 -20.120 1.00 10.47 O ATOM 69 CB PRO A 4 13.452 6.257 -18.991 1.00 12.31 C ATOM 70 CG PRO A 4 12.808 4.873 -18.895 1.00 13.26 C ATOM 71 CD PRO A 4 12.279 4.843 -17.460 1.00 13.68 C ATOM 0 HA PRO A 4 13.044 8.000 -17.767 1.00 11.39 H new ATOM 0 HB2 PRO A 4 13.507 6.607 -20.022 1.00 12.31 H new ATOM 0 HB3 PRO A 4 14.469 6.258 -18.599 1.00 12.31 H new ATOM 0 HG2 PRO A 4 12.007 4.748 -19.624 1.00 13.26 H new ATOM 0 HG3 PRO A 4 13.531 4.077 -19.076 1.00 13.26 H new ATOM 0 HD2 PRO A 4 11.366 4.252 -17.392 1.00 13.68 H new ATOM 0 HD3 PRO A 4 13.004 4.388 -16.785 1.00 13.68 H new ATOM 79 N CYS A 5 10.472 8.458 -18.272 1.00 9.28 N ATOM 80 CA CYS A 5 9.219 9.000 -18.785 1.00 8.78 C ATOM 81 C CYS A 5 8.889 10.214 -17.920 1.00 7.20 C ATOM 82 O CYS A 5 7.849 10.284 -17.272 1.00 7.62 O ATOM 83 CB CYS A 5 8.105 7.935 -18.753 1.00 10.86 C ATOM 84 SG CYS A 5 8.004 7.066 -20.337 1.00 12.41 S ATOM 0 H CYS A 5 10.651 8.743 -17.309 1.00 9.28 H new ATOM 0 HA CYS A 5 9.308 9.297 -19.830 1.00 8.78 H new ATOM 0 HB2 CYS A 5 8.301 7.221 -17.953 1.00 10.86 H new ATOM 0 HB3 CYS A 5 7.149 8.409 -18.531 1.00 10.86 H new ATOM 0 HG CYS A 5 9.200 6.906 -20.821 1.00 12.41 H new ATOM 90 N CYS A 6 9.830 11.163 -17.887 1.00 5.86 N ATOM 91 CA CYS A 6 9.721 12.419 -17.149 1.00 4.67 C ATOM 92 C CYS A 6 9.441 12.176 -15.658 1.00 3.72 C ATOM 93 O CYS A 6 8.329 12.421 -15.183 1.00 3.55 O ATOM 94 CB CYS A 6 8.675 13.327 -17.809 1.00 5.14 C ATOM 95 SG CYS A 6 8.634 14.895 -16.914 1.00 5.15 S ATOM 0 H CYS A 6 10.713 11.073 -18.389 1.00 5.86 H new ATOM 0 HA CYS A 6 10.679 12.936 -17.192 1.00 4.67 H new ATOM 0 HB2 CYS A 6 8.926 13.495 -18.856 1.00 5.14 H new ATOM 0 HB3 CYS A 6 7.694 12.853 -17.788 1.00 5.14 H new ATOM 0 HG CYS A 6 7.754 15.682 -17.458 1.00 5.15 H new ATOM 101 N PRO A 7 10.435 11.684 -14.897 1.00 3.48 N ATOM 102 CA PRO A 7 10.240 11.225 -13.530 1.00 3.22 C ATOM 103 C PRO A 7 10.095 12.394 -12.541 1.00 2.48 C ATOM 104 O PRO A 7 10.956 12.611 -11.689 1.00 2.74 O ATOM 105 CB PRO A 7 11.450 10.331 -13.233 1.00 3.95 C ATOM 106 CG PRO A 7 12.550 10.943 -14.097 1.00 4.10 C ATOM 107 CD PRO A 7 11.788 11.387 -15.345 1.00 4.04 C ATOM 0 HA PRO A 7 9.308 10.671 -13.414 1.00 3.22 H new ATOM 0 HB2 PRO A 7 11.713 10.346 -12.175 1.00 3.95 H new ATOM 0 HB3 PRO A 7 11.259 9.292 -13.500 1.00 3.95 H new ATOM 0 HG2 PRO A 7 13.036 11.782 -13.599 1.00 4.10 H new ATOM 0 HG3 PRO A 7 13.329 10.218 -14.334 1.00 4.10 H new ATOM 0 HD2 PRO A 7 12.252 12.264 -15.796 1.00 4.04 H new ATOM 0 HD3 PRO A 7 11.786 10.603 -16.102 1.00 4.04 H new ATOM 115 N VAL A 8 8.968 13.108 -12.623 1.00 2.25 N ATOM 116 CA VAL A 8 8.591 14.221 -11.757 1.00 1.77 C ATOM 117 C VAL A 8 7.343 13.849 -10.950 1.00 1.60 C ATOM 118 O VAL A 8 7.307 12.785 -10.334 1.00 2.71 O ATOM 119 CB VAL A 8 8.564 15.536 -12.571 1.00 2.40 C ATOM 120 CG1 VAL A 8 7.423 15.674 -13.590 1.00 3.79 C ATOM 121 CG2 VAL A 8 8.696 16.793 -11.699 1.00 2.63 C ATOM 0 H VAL A 8 8.261 12.913 -13.332 1.00 2.25 H new ATOM 0 HA VAL A 8 9.336 14.422 -10.987 1.00 1.77 H new ATOM 0 HB VAL A 8 9.465 15.454 -13.178 1.00 2.40 H new ATOM 0 HG11 VAL A 8 7.505 16.634 -14.100 1.00 3.79 H new ATOM 0 HG12 VAL A 8 7.488 14.868 -14.321 1.00 3.79 H new ATOM 0 HG13 VAL A 8 6.465 15.619 -13.073 1.00 3.79 H new ATOM 0 HG21 VAL A 8 8.670 17.680 -12.332 1.00 2.63 H new ATOM 0 HG22 VAL A 8 7.871 16.831 -10.988 1.00 2.63 H new ATOM 0 HG23 VAL A 8 9.641 16.762 -11.157 1.00 2.63 H new ATOM 131 N ASN A 9 6.348 14.732 -10.883 1.00 1.17 N ATOM 132 CA ASN A 9 5.062 14.494 -10.221 1.00 0.92 C ATOM 133 C ASN A 9 4.535 13.069 -10.449 1.00 0.70 C ATOM 134 O ASN A 9 4.147 12.393 -9.499 1.00 0.81 O ATOM 135 CB ASN A 9 4.020 15.551 -10.625 1.00 1.16 C ATOM 136 CG ASN A 9 3.522 15.387 -12.059 1.00 3.02 C ATOM 137 OD1 ASN A 9 4.298 15.056 -12.950 1.00 4.65 O ATOM 138 ND2 ASN A 9 2.231 15.592 -12.296 1.00 3.59 N ATOM 0 H ASN A 9 6.414 15.661 -11.299 1.00 1.17 H new ATOM 0 HA ASN A 9 5.240 14.591 -9.150 1.00 0.92 H new ATOM 0 HB2 ASN A 9 3.171 15.494 -9.944 1.00 1.16 H new ATOM 0 HB3 ASN A 9 4.455 16.544 -10.510 1.00 1.16 H new ATOM 0 HD21 ASN A 9 1.861 15.475 -13.239 1.00 3.59 H new ATOM 0 HD22 ASN A 9 1.610 15.867 -11.535 1.00 3.59 H new ATOM 145 N LEU A 10 4.583 12.590 -11.694 1.00 0.74 N ATOM 146 CA LEU A 10 4.147 11.251 -12.073 1.00 0.72 C ATOM 147 C LEU A 10 4.923 10.199 -11.284 1.00 0.62 C ATOM 148 O LEU A 10 4.370 9.197 -10.842 1.00 0.59 O ATOM 149 CB LEU A 10 4.368 11.021 -13.576 1.00 1.04 C ATOM 150 CG LEU A 10 3.596 11.977 -14.500 1.00 1.64 C ATOM 151 CD1 LEU A 10 3.926 11.632 -15.956 1.00 2.79 C ATOM 152 CD2 LEU A 10 2.081 11.894 -14.282 1.00 2.60 C ATOM 0 H LEU A 10 4.934 13.136 -12.481 1.00 0.74 H new ATOM 0 HA LEU A 10 3.084 11.162 -11.848 1.00 0.72 H new ATOM 0 HB2 LEU A 10 5.433 11.114 -13.790 1.00 1.04 H new ATOM 0 HB3 LEU A 10 4.083 9.997 -13.817 1.00 1.04 H new ATOM 0 HG LEU A 10 3.902 12.996 -14.266 1.00 1.64 H new ATOM 0 HD11 LEU A 10 3.384 12.304 -16.621 1.00 2.79 H new ATOM 0 HD12 LEU A 10 4.997 11.743 -16.122 1.00 2.79 H new ATOM 0 HD13 LEU A 10 3.632 10.603 -16.162 1.00 2.79 H new ATOM 0 HD21 LEU A 10 1.578 12.587 -14.956 1.00 2.60 H new ATOM 0 HD22 LEU A 10 1.739 10.879 -14.484 1.00 2.60 H new ATOM 0 HD23 LEU A 10 1.847 12.157 -13.251 1.00 2.60 H new ATOM 164 N LYS A 11 6.219 10.438 -11.099 1.00 0.64 N ATOM 165 CA LYS A 11 7.101 9.540 -10.378 1.00 0.62 C ATOM 166 C LYS A 11 6.658 9.458 -8.922 1.00 0.46 C ATOM 167 O LYS A 11 6.462 8.362 -8.398 1.00 0.52 O ATOM 168 CB LYS A 11 8.574 9.932 -10.611 1.00 0.78 C ATOM 169 CG LYS A 11 9.424 10.488 -9.456 1.00 1.73 C ATOM 170 CD LYS A 11 9.775 9.441 -8.386 1.00 2.65 C ATOM 171 CE LYS A 11 11.138 9.725 -7.736 1.00 3.43 C ATOM 172 NZ LYS A 11 11.240 11.096 -7.194 1.00 4.75 N ATOM 0 H LYS A 11 6.687 11.273 -11.452 1.00 0.64 H new ATOM 0 HA LYS A 11 7.031 8.521 -10.760 1.00 0.62 H new ATOM 0 HB2 LYS A 11 9.086 9.048 -10.991 1.00 0.78 H new ATOM 0 HB3 LYS A 11 8.587 10.676 -11.408 1.00 0.78 H new ATOM 0 HG2 LYS A 11 10.347 10.902 -9.863 1.00 1.73 H new ATOM 0 HG3 LYS A 11 8.886 11.310 -8.984 1.00 1.73 H new ATOM 0 HD2 LYS A 11 9.001 9.432 -7.619 1.00 2.65 H new ATOM 0 HD3 LYS A 11 9.787 8.449 -8.838 1.00 2.65 H new ATOM 0 HE2 LYS A 11 11.309 9.008 -6.933 1.00 3.43 H new ATOM 0 HE3 LYS A 11 11.926 9.571 -8.473 1.00 3.43 H new ATOM 0 HZ1 LYS A 11 12.122 11.190 -6.651 1.00 4.75 H new ATOM 0 HZ2 LYS A 11 11.241 11.780 -7.978 1.00 4.75 H new ATOM 0 HZ3 LYS A 11 10.429 11.284 -6.571 1.00 4.75 H new ATOM 186 N ARG A 12 6.474 10.603 -8.252 1.00 0.39 N ATOM 187 CA ARG A 12 6.041 10.552 -6.863 1.00 0.39 C ATOM 188 C ARG A 12 4.607 10.038 -6.732 1.00 0.34 C ATOM 189 O ARG A 12 4.265 9.424 -5.726 1.00 0.42 O ATOM 190 CB ARG A 12 6.278 11.862 -6.102 1.00 0.63 C ATOM 191 CG ARG A 12 5.525 13.063 -6.682 1.00 1.62 C ATOM 192 CD ARG A 12 5.480 14.227 -5.684 1.00 2.18 C ATOM 193 NE ARG A 12 4.637 13.898 -4.520 1.00 2.86 N ATOM 194 CZ ARG A 12 4.435 14.695 -3.457 1.00 3.77 C ATOM 195 NH1 ARG A 12 5.020 15.897 -3.406 1.00 4.39 N ATOM 196 NH2 ARG A 12 3.650 14.286 -2.453 1.00 4.83 N ATOM 0 H ARG A 12 6.613 11.538 -8.636 1.00 0.39 H new ATOM 0 HA ARG A 12 6.683 9.821 -6.371 1.00 0.39 H new ATOM 0 HB2 ARG A 12 5.979 11.726 -5.063 1.00 0.63 H new ATOM 0 HB3 ARG A 12 7.346 12.082 -6.100 1.00 0.63 H new ATOM 0 HG2 ARG A 12 6.009 13.389 -7.602 1.00 1.62 H new ATOM 0 HG3 ARG A 12 4.509 12.766 -6.944 1.00 1.62 H new ATOM 0 HD2 ARG A 12 6.490 14.462 -5.350 1.00 2.18 H new ATOM 0 HD3 ARG A 12 5.092 15.118 -6.177 1.00 2.18 H new ATOM 0 HE ARG A 12 4.169 12.992 -4.522 1.00 2.86 H new ATOM 0 HH11 ARG A 12 5.617 16.206 -4.173 1.00 4.39 H new ATOM 0 HH12 ARG A 12 4.869 16.504 -2.600 1.00 4.39 H new ATOM 0 HH21 ARG A 12 3.205 13.369 -2.495 1.00 4.83 H new ATOM 0 HH22 ARG A 12 3.497 14.891 -1.646 1.00 4.83 H new ATOM 210 N LEU A 13 3.789 10.219 -7.766 1.00 0.32 N ATOM 211 CA LEU A 13 2.468 9.612 -7.831 1.00 0.37 C ATOM 212 C LEU A 13 2.623 8.089 -7.859 1.00 0.34 C ATOM 213 O LEU A 13 1.985 7.386 -7.080 1.00 0.38 O ATOM 214 CB LEU A 13 1.673 10.199 -9.000 1.00 0.50 C ATOM 215 CG LEU A 13 0.192 9.792 -9.129 1.00 0.69 C ATOM 216 CD1 LEU A 13 -0.001 8.408 -9.760 1.00 1.92 C ATOM 217 CD2 LEU A 13 -0.570 9.892 -7.803 1.00 2.30 C ATOM 0 H LEU A 13 4.025 10.789 -8.578 1.00 0.32 H new ATOM 0 HA LEU A 13 1.879 9.845 -6.944 1.00 0.37 H new ATOM 0 HB2 LEU A 13 1.718 11.286 -8.925 1.00 0.50 H new ATOM 0 HB3 LEU A 13 2.180 9.922 -9.924 1.00 0.50 H new ATOM 0 HG LEU A 13 -0.238 10.523 -9.814 1.00 0.69 H new ATOM 0 HD11 LEU A 13 -1.065 8.182 -9.822 1.00 1.92 H new ATOM 0 HD12 LEU A 13 0.430 8.401 -10.761 1.00 1.92 H new ATOM 0 HD13 LEU A 13 0.495 7.656 -9.146 1.00 1.92 H new ATOM 0 HD21 LEU A 13 -1.607 9.593 -7.956 1.00 2.30 H new ATOM 0 HD22 LEU A 13 -0.108 9.234 -7.067 1.00 2.30 H new ATOM 0 HD23 LEU A 13 -0.538 10.920 -7.442 1.00 2.30 H new ATOM 229 N LEU A 14 3.516 7.572 -8.706 1.00 0.31 N ATOM 230 CA LEU A 14 3.832 6.153 -8.749 1.00 0.35 C ATOM 231 C LEU A 14 4.284 5.668 -7.367 1.00 0.30 C ATOM 232 O LEU A 14 3.802 4.655 -6.867 1.00 0.34 O ATOM 233 CB LEU A 14 4.890 5.880 -9.832 1.00 0.40 C ATOM 234 CG LEU A 14 4.730 4.526 -10.543 1.00 0.62 C ATOM 235 CD1 LEU A 14 5.868 4.367 -11.556 1.00 1.94 C ATOM 236 CD2 LEU A 14 4.741 3.330 -9.584 1.00 2.10 C ATOM 0 H LEU A 14 4.038 8.131 -9.380 1.00 0.31 H new ATOM 0 HA LEU A 14 2.937 5.590 -9.015 1.00 0.35 H new ATOM 0 HB2 LEU A 14 4.846 6.676 -10.576 1.00 0.40 H new ATOM 0 HB3 LEU A 14 5.879 5.924 -9.377 1.00 0.40 H new ATOM 0 HG LEU A 14 3.755 4.530 -11.030 1.00 0.62 H new ATOM 0 HD11 LEU A 14 5.768 3.410 -12.069 1.00 1.94 H new ATOM 0 HD12 LEU A 14 5.822 5.176 -12.285 1.00 1.94 H new ATOM 0 HD13 LEU A 14 6.825 4.401 -11.036 1.00 1.94 H new ATOM 0 HD21 LEU A 14 4.624 2.407 -10.152 1.00 2.10 H new ATOM 0 HD22 LEU A 14 5.687 3.306 -9.043 1.00 2.10 H new ATOM 0 HD23 LEU A 14 3.920 3.426 -8.874 1.00 2.10 H new ATOM 248 N VAL A 15 5.172 6.421 -6.714 1.00 0.22 N ATOM 249 CA VAL A 15 5.579 6.106 -5.347 1.00 0.22 C ATOM 250 C VAL A 15 4.349 6.038 -4.432 1.00 0.24 C ATOM 251 O VAL A 15 4.193 5.069 -3.694 1.00 0.26 O ATOM 252 CB VAL A 15 6.656 7.080 -4.834 1.00 0.24 C ATOM 253 CG1 VAL A 15 6.988 6.821 -3.357 1.00 0.37 C ATOM 254 CG2 VAL A 15 7.952 6.928 -5.643 1.00 0.31 C ATOM 0 H VAL A 15 5.620 7.248 -7.109 1.00 0.22 H new ATOM 0 HA VAL A 15 6.046 5.121 -5.339 1.00 0.22 H new ATOM 0 HB VAL A 15 6.252 8.086 -4.948 1.00 0.24 H new ATOM 0 HG11 VAL A 15 7.751 7.525 -3.027 1.00 0.37 H new ATOM 0 HG12 VAL A 15 6.089 6.951 -2.754 1.00 0.37 H new ATOM 0 HG13 VAL A 15 7.359 5.803 -3.241 1.00 0.37 H new ATOM 0 HG21 VAL A 15 8.700 7.625 -5.265 1.00 0.31 H new ATOM 0 HG22 VAL A 15 8.324 5.908 -5.546 1.00 0.31 H new ATOM 0 HG23 VAL A 15 7.753 7.143 -6.693 1.00 0.31 H new ATOM 264 N VAL A 16 3.457 7.033 -4.483 1.00 0.28 N ATOM 265 CA VAL A 16 2.225 7.000 -3.703 1.00 0.34 C ATOM 266 C VAL A 16 1.454 5.711 -4.004 1.00 0.37 C ATOM 267 O VAL A 16 1.049 5.023 -3.073 1.00 0.38 O ATOM 268 CB VAL A 16 1.395 8.283 -3.907 1.00 0.39 C ATOM 269 CG1 VAL A 16 -0.027 8.145 -3.344 1.00 0.47 C ATOM 270 CG2 VAL A 16 2.075 9.464 -3.200 1.00 0.44 C ATOM 0 H VAL A 16 3.569 7.869 -5.057 1.00 0.28 H new ATOM 0 HA VAL A 16 2.467 6.984 -2.640 1.00 0.34 H new ATOM 0 HB VAL A 16 1.333 8.454 -4.982 1.00 0.39 H new ATOM 0 HG11 VAL A 16 -0.576 9.072 -3.510 1.00 0.47 H new ATOM 0 HG12 VAL A 16 -0.540 7.325 -3.847 1.00 0.47 H new ATOM 0 HG13 VAL A 16 0.023 7.939 -2.275 1.00 0.47 H new ATOM 0 HG21 VAL A 16 1.483 10.367 -3.349 1.00 0.44 H new ATOM 0 HG22 VAL A 16 2.154 9.253 -2.133 1.00 0.44 H new ATOM 0 HG23 VAL A 16 3.072 9.612 -3.615 1.00 0.44 H new ATOM 280 N VAL A 17 1.285 5.339 -5.275 1.00 0.38 N ATOM 281 CA VAL A 17 0.638 4.091 -5.643 1.00 0.41 C ATOM 282 C VAL A 17 1.328 2.899 -4.963 1.00 0.36 C ATOM 283 O VAL A 17 0.662 2.067 -4.350 1.00 0.37 O ATOM 284 CB VAL A 17 0.543 3.972 -7.175 1.00 0.46 C ATOM 285 CG1 VAL A 17 0.128 2.566 -7.614 1.00 0.50 C ATOM 286 CG2 VAL A 17 -0.484 4.978 -7.713 1.00 0.54 C ATOM 0 H VAL A 17 1.594 5.897 -6.071 1.00 0.38 H new ATOM 0 HA VAL A 17 -0.388 4.084 -5.275 1.00 0.41 H new ATOM 0 HB VAL A 17 1.534 4.182 -7.578 1.00 0.46 H new ATOM 0 HG11 VAL A 17 0.073 2.526 -8.702 1.00 0.50 H new ATOM 0 HG12 VAL A 17 0.863 1.843 -7.261 1.00 0.50 H new ATOM 0 HG13 VAL A 17 -0.848 2.326 -7.192 1.00 0.50 H new ATOM 0 HG21 VAL A 17 -0.547 4.889 -8.798 1.00 0.54 H new ATOM 0 HG22 VAL A 17 -1.460 4.771 -7.275 1.00 0.54 H new ATOM 0 HG23 VAL A 17 -0.175 5.990 -7.449 1.00 0.54 H new ATOM 296 N VAL A 18 2.660 2.815 -5.028 1.00 0.34 N ATOM 297 CA VAL A 18 3.411 1.781 -4.335 1.00 0.33 C ATOM 298 C VAL A 18 3.087 1.788 -2.835 1.00 0.32 C ATOM 299 O VAL A 18 2.853 0.732 -2.248 1.00 0.32 O ATOM 300 CB VAL A 18 4.920 1.902 -4.623 1.00 0.34 C ATOM 301 CG1 VAL A 18 5.739 0.918 -3.778 1.00 0.35 C ATOM 302 CG2 VAL A 18 5.208 1.613 -6.102 1.00 0.37 C ATOM 0 H VAL A 18 3.240 3.462 -5.562 1.00 0.34 H new ATOM 0 HA VAL A 18 3.103 0.809 -4.719 1.00 0.33 H new ATOM 0 HB VAL A 18 5.209 2.922 -4.369 1.00 0.34 H new ATOM 0 HG11 VAL A 18 6.798 1.033 -4.009 1.00 0.35 H new ATOM 0 HG12 VAL A 18 5.574 1.122 -2.720 1.00 0.35 H new ATOM 0 HG13 VAL A 18 5.428 -0.102 -4.003 1.00 0.35 H new ATOM 0 HG21 VAL A 18 6.278 1.703 -6.289 1.00 0.37 H new ATOM 0 HG22 VAL A 18 4.881 0.602 -6.346 1.00 0.37 H new ATOM 0 HG23 VAL A 18 4.670 2.328 -6.724 1.00 0.37 H new ATOM 312 N VAL A 19 3.049 2.968 -2.206 1.00 0.32 N ATOM 313 CA VAL A 19 2.716 3.074 -0.794 1.00 0.33 C ATOM 314 C VAL A 19 1.311 2.521 -0.570 1.00 0.33 C ATOM 315 O VAL A 19 1.112 1.724 0.340 1.00 0.31 O ATOM 316 CB VAL A 19 2.886 4.512 -0.270 1.00 0.37 C ATOM 317 CG1 VAL A 19 2.414 4.627 1.187 1.00 0.38 C ATOM 318 CG2 VAL A 19 4.361 4.933 -0.317 1.00 0.38 C ATOM 0 H VAL A 19 3.246 3.860 -2.659 1.00 0.32 H new ATOM 0 HA VAL A 19 3.415 2.474 -0.212 1.00 0.33 H new ATOM 0 HB VAL A 19 2.285 5.159 -0.909 1.00 0.37 H new ATOM 0 HG11 VAL A 19 2.545 5.653 1.532 1.00 0.38 H new ATOM 0 HG12 VAL A 19 1.361 4.355 1.251 1.00 0.38 H new ATOM 0 HG13 VAL A 19 3.001 3.956 1.814 1.00 0.38 H new ATOM 0 HG21 VAL A 19 4.461 5.952 0.057 1.00 0.38 H new ATOM 0 HG22 VAL A 19 4.952 4.259 0.304 1.00 0.38 H new ATOM 0 HG23 VAL A 19 4.720 4.887 -1.345 1.00 0.38 H new ATOM 328 N VAL A 20 0.346 2.902 -1.409 1.00 0.35 N ATOM 329 CA VAL A 20 -1.014 2.399 -1.338 1.00 0.37 C ATOM 330 C VAL A 20 -1.012 0.869 -1.396 1.00 0.34 C ATOM 331 O VAL A 20 -1.630 0.227 -0.553 1.00 0.34 O ATOM 332 CB VAL A 20 -1.915 3.039 -2.411 1.00 0.41 C ATOM 333 CG1 VAL A 20 -3.294 2.364 -2.464 1.00 0.46 C ATOM 334 CG2 VAL A 20 -2.135 4.531 -2.124 1.00 0.44 C ATOM 0 H VAL A 20 0.495 3.575 -2.161 1.00 0.35 H new ATOM 0 HA VAL A 20 -1.446 2.689 -0.380 1.00 0.37 H new ATOM 0 HB VAL A 20 -1.403 2.908 -3.364 1.00 0.41 H new ATOM 0 HG11 VAL A 20 -3.903 2.841 -3.232 1.00 0.46 H new ATOM 0 HG12 VAL A 20 -3.173 1.307 -2.701 1.00 0.46 H new ATOM 0 HG13 VAL A 20 -3.786 2.465 -1.496 1.00 0.46 H new ATOM 0 HG21 VAL A 20 -2.774 4.960 -2.896 1.00 0.44 H new ATOM 0 HG22 VAL A 20 -2.613 4.648 -1.151 1.00 0.44 H new ATOM 0 HG23 VAL A 20 -1.175 5.046 -2.121 1.00 0.44 H new ATOM 344 N VAL A 21 -0.309 0.270 -2.361 1.00 0.33 N ATOM 345 CA VAL A 21 -0.200 -1.171 -2.483 1.00 0.32 C ATOM 346 C VAL A 21 0.363 -1.782 -1.195 1.00 0.29 C ATOM 347 O VAL A 21 -0.190 -2.751 -0.677 1.00 0.27 O ATOM 348 CB VAL A 21 0.658 -1.479 -3.719 1.00 0.36 C ATOM 349 CG1 VAL A 21 1.073 -2.946 -3.767 1.00 0.38 C ATOM 350 CG2 VAL A 21 -0.109 -1.151 -5.008 1.00 0.38 C ATOM 0 H VAL A 21 0.201 0.782 -3.081 1.00 0.33 H new ATOM 0 HA VAL A 21 -1.181 -1.626 -2.621 1.00 0.32 H new ATOM 0 HB VAL A 21 1.550 -0.857 -3.644 1.00 0.36 H new ATOM 0 HG11 VAL A 21 1.678 -3.124 -4.656 1.00 0.38 H new ATOM 0 HG12 VAL A 21 1.654 -3.189 -2.877 1.00 0.38 H new ATOM 0 HG13 VAL A 21 0.183 -3.575 -3.802 1.00 0.38 H new ATOM 0 HG21 VAL A 21 0.517 -1.377 -5.871 1.00 0.38 H new ATOM 0 HG22 VAL A 21 -1.018 -1.750 -5.053 1.00 0.38 H new ATOM 0 HG23 VAL A 21 -0.371 -0.093 -5.016 1.00 0.38 H new ATOM 360 N LEU A 22 1.450 -1.220 -0.663 1.00 0.28 N ATOM 361 CA LEU A 22 2.053 -1.672 0.578 1.00 0.26 C ATOM 362 C LEU A 22 1.018 -1.586 1.707 1.00 0.24 C ATOM 363 O LEU A 22 0.823 -2.547 2.449 1.00 0.22 O ATOM 364 CB LEU A 22 3.361 -0.875 0.787 1.00 0.28 C ATOM 365 CG LEU A 22 3.656 -0.421 2.217 1.00 0.31 C ATOM 366 CD1 LEU A 22 4.016 -1.596 3.134 1.00 0.33 C ATOM 367 CD2 LEU A 22 4.819 0.578 2.225 1.00 0.35 C ATOM 0 H LEU A 22 1.936 -0.432 -1.091 1.00 0.28 H new ATOM 0 HA LEU A 22 2.343 -2.722 0.558 1.00 0.26 H new ATOM 0 HB2 LEU A 22 4.194 -1.489 0.444 1.00 0.28 H new ATOM 0 HB3 LEU A 22 3.330 0.007 0.147 1.00 0.28 H new ATOM 0 HG LEU A 22 2.747 0.047 2.594 1.00 0.31 H new ATOM 0 HD11 LEU A 22 4.217 -1.225 4.139 1.00 0.33 H new ATOM 0 HD12 LEU A 22 3.184 -2.300 3.167 1.00 0.33 H new ATOM 0 HD13 LEU A 22 4.903 -2.100 2.749 1.00 0.33 H new ATOM 0 HD21 LEU A 22 5.020 0.894 3.249 1.00 0.35 H new ATOM 0 HD22 LEU A 22 5.709 0.104 1.810 1.00 0.35 H new ATOM 0 HD23 LEU A 22 4.556 1.447 1.622 1.00 0.35 H new ATOM 379 N VAL A 23 0.314 -0.462 1.825 1.00 0.26 N ATOM 380 CA VAL A 23 -0.678 -0.232 2.844 1.00 0.27 C ATOM 381 C VAL A 23 -1.822 -1.231 2.696 1.00 0.26 C ATOM 382 O VAL A 23 -2.307 -1.748 3.696 1.00 0.24 O ATOM 383 CB VAL A 23 -1.108 1.240 2.747 1.00 0.32 C ATOM 384 CG1 VAL A 23 -2.438 1.493 3.440 1.00 0.36 C ATOM 385 CG2 VAL A 23 -0.034 2.146 3.364 1.00 0.34 C ATOM 0 H VAL A 23 0.430 0.329 1.191 1.00 0.26 H new ATOM 0 HA VAL A 23 -0.284 -0.398 3.847 1.00 0.27 H new ATOM 0 HB VAL A 23 -1.229 1.471 1.689 1.00 0.32 H new ATOM 0 HG11 VAL A 23 -2.703 2.546 3.346 1.00 0.36 H new ATOM 0 HG12 VAL A 23 -3.212 0.882 2.976 1.00 0.36 H new ATOM 0 HG13 VAL A 23 -2.354 1.233 4.495 1.00 0.36 H new ATOM 0 HG21 VAL A 23 -0.349 3.187 3.290 1.00 0.34 H new ATOM 0 HG22 VAL A 23 0.105 1.883 4.413 1.00 0.34 H new ATOM 0 HG23 VAL A 23 0.906 2.013 2.829 1.00 0.34 H new ATOM 395 N VAL A 24 -2.244 -1.545 1.472 1.00 0.27 N ATOM 396 CA VAL A 24 -3.242 -2.536 1.213 1.00 0.27 C ATOM 397 C VAL A 24 -2.735 -3.903 1.667 1.00 0.23 C ATOM 398 O VAL A 24 -3.437 -4.596 2.394 1.00 0.21 O ATOM 399 CB VAL A 24 -3.604 -2.430 -0.275 1.00 0.32 C ATOM 400 CG1 VAL A 24 -4.189 -3.724 -0.809 1.00 0.33 C ATOM 401 CG2 VAL A 24 -4.589 -1.275 -0.498 1.00 0.37 C ATOM 0 H VAL A 24 -1.884 -1.099 0.628 1.00 0.27 H new ATOM 0 HA VAL A 24 -4.160 -2.382 1.780 1.00 0.27 H new ATOM 0 HB VAL A 24 -2.683 -2.233 -0.824 1.00 0.32 H new ATOM 0 HG11 VAL A 24 -4.431 -3.605 -1.865 1.00 0.33 H new ATOM 0 HG12 VAL A 24 -3.462 -4.528 -0.691 1.00 0.33 H new ATOM 0 HG13 VAL A 24 -5.095 -3.970 -0.255 1.00 0.33 H new ATOM 0 HG21 VAL A 24 -4.839 -1.209 -1.557 1.00 0.37 H new ATOM 0 HG22 VAL A 24 -5.497 -1.454 0.078 1.00 0.37 H new ATOM 0 HG23 VAL A 24 -4.132 -0.340 -0.174 1.00 0.37 H new ATOM 411 N VAL A 25 -1.513 -4.292 1.300 1.00 0.23 N ATOM 412 CA VAL A 25 -0.907 -5.510 1.792 1.00 0.22 C ATOM 413 C VAL A 25 -0.881 -5.529 3.321 1.00 0.19 C ATOM 414 O VAL A 25 -1.155 -6.563 3.927 1.00 0.18 O ATOM 415 CB VAL A 25 0.471 -5.695 1.134 1.00 0.24 C ATOM 416 CG1 VAL A 25 1.514 -6.337 2.048 1.00 0.23 C ATOM 417 CG2 VAL A 25 0.284 -6.569 -0.107 1.00 0.30 C ATOM 0 H VAL A 25 -0.924 -3.766 0.654 1.00 0.23 H new ATOM 0 HA VAL A 25 -1.509 -6.374 1.510 1.00 0.22 H new ATOM 0 HB VAL A 25 0.853 -4.704 0.890 1.00 0.24 H new ATOM 0 HG11 VAL A 25 2.458 -6.433 1.512 1.00 0.23 H new ATOM 0 HG12 VAL A 25 1.660 -5.712 2.929 1.00 0.23 H new ATOM 0 HG13 VAL A 25 1.169 -7.324 2.356 1.00 0.23 H new ATOM 0 HG21 VAL A 25 1.247 -6.718 -0.596 1.00 0.30 H new ATOM 0 HG22 VAL A 25 -0.127 -7.535 0.187 1.00 0.30 H new ATOM 0 HG23 VAL A 25 -0.401 -6.078 -0.798 1.00 0.30 H new ATOM 427 N VAL A 26 -0.580 -4.394 3.953 1.00 0.20 N ATOM 428 CA VAL A 26 -0.543 -4.304 5.404 1.00 0.20 C ATOM 429 C VAL A 26 -1.956 -4.505 5.944 1.00 0.19 C ATOM 430 O VAL A 26 -2.139 -5.266 6.889 1.00 0.19 O ATOM 431 CB VAL A 26 0.107 -2.985 5.850 1.00 0.25 C ATOM 432 CG1 VAL A 26 -0.309 -2.536 7.257 1.00 0.28 C ATOM 433 CG2 VAL A 26 1.633 -3.100 5.766 1.00 0.28 C ATOM 0 H VAL A 26 -0.358 -3.521 3.474 1.00 0.20 H new ATOM 0 HA VAL A 26 0.083 -5.092 5.823 1.00 0.20 H new ATOM 0 HB VAL A 26 -0.254 -2.218 5.165 1.00 0.25 H new ATOM 0 HG11 VAL A 26 0.190 -1.598 7.502 1.00 0.28 H new ATOM 0 HG12 VAL A 26 -1.389 -2.392 7.288 1.00 0.28 H new ATOM 0 HG13 VAL A 26 -0.024 -3.299 7.982 1.00 0.28 H new ATOM 0 HG21 VAL A 26 2.087 -2.161 6.084 1.00 0.28 H new ATOM 0 HG22 VAL A 26 1.973 -3.906 6.416 1.00 0.28 H new ATOM 0 HG23 VAL A 26 1.926 -3.315 4.738 1.00 0.28 H new ATOM 443 N ILE A 27 -2.960 -3.859 5.344 1.00 0.19 N ATOM 444 CA ILE A 27 -4.343 -3.995 5.749 1.00 0.20 C ATOM 445 C ILE A 27 -4.736 -5.469 5.628 1.00 0.16 C ATOM 446 O ILE A 27 -5.354 -6.028 6.531 1.00 0.18 O ATOM 447 CB ILE A 27 -5.223 -3.054 4.906 1.00 0.24 C ATOM 448 CG1 ILE A 27 -5.184 -1.649 5.534 1.00 0.31 C ATOM 449 CG2 ILE A 27 -6.681 -3.534 4.816 1.00 0.25 C ATOM 450 CD1 ILE A 27 -5.646 -0.556 4.565 1.00 0.36 C ATOM 0 H ILE A 27 -2.824 -3.224 4.558 1.00 0.19 H new ATOM 0 HA ILE A 27 -4.489 -3.699 6.788 1.00 0.20 H new ATOM 0 HB ILE A 27 -4.825 -3.042 3.891 1.00 0.24 H new ATOM 0 HG12 ILE A 27 -5.817 -1.634 6.421 1.00 0.31 H new ATOM 0 HG13 ILE A 27 -4.168 -1.431 5.864 1.00 0.31 H new ATOM 0 HG21 ILE A 27 -7.258 -2.835 4.211 1.00 0.25 H new ATOM 0 HG22 ILE A 27 -6.711 -4.522 4.357 1.00 0.25 H new ATOM 0 HG23 ILE A 27 -7.109 -3.586 5.817 1.00 0.25 H new ATOM 0 HD11 ILE A 27 -5.598 0.414 5.061 1.00 0.36 H new ATOM 0 HD12 ILE A 27 -4.997 -0.548 3.689 1.00 0.36 H new ATOM 0 HD13 ILE A 27 -6.672 -0.755 4.255 1.00 0.36 H new ATOM 462 N VAL A 28 -4.359 -6.107 4.517 1.00 0.16 N ATOM 463 CA VAL A 28 -4.707 -7.489 4.252 1.00 0.18 C ATOM 464 C VAL A 28 -4.058 -8.384 5.303 1.00 0.18 C ATOM 465 O VAL A 28 -4.756 -9.130 5.984 1.00 0.20 O ATOM 466 CB VAL A 28 -4.334 -7.858 2.805 1.00 0.23 C ATOM 467 CG1 VAL A 28 -4.369 -9.372 2.574 1.00 0.28 C ATOM 468 CG2 VAL A 28 -5.316 -7.199 1.826 1.00 0.26 C ATOM 0 H VAL A 28 -3.804 -5.672 3.780 1.00 0.16 H new ATOM 0 HA VAL A 28 -5.784 -7.639 4.333 1.00 0.18 H new ATOM 0 HB VAL A 28 -3.319 -7.500 2.635 1.00 0.23 H new ATOM 0 HG11 VAL A 28 -4.100 -9.589 1.540 1.00 0.28 H new ATOM 0 HG12 VAL A 28 -3.660 -9.859 3.244 1.00 0.28 H new ATOM 0 HG13 VAL A 28 -5.373 -9.747 2.774 1.00 0.28 H new ATOM 0 HG21 VAL A 28 -5.045 -7.465 0.804 1.00 0.26 H new ATOM 0 HG22 VAL A 28 -6.327 -7.547 2.036 1.00 0.26 H new ATOM 0 HG23 VAL A 28 -5.274 -6.116 1.942 1.00 0.26 H new ATOM 478 N GLY A 29 -2.735 -8.304 5.465 1.00 0.22 N ATOM 479 CA GLY A 29 -2.038 -9.071 6.489 1.00 0.28 C ATOM 480 C GLY A 29 -2.652 -8.845 7.871 1.00 0.28 C ATOM 481 O GLY A 29 -2.937 -9.798 8.594 1.00 0.32 O ATOM 0 H GLY A 29 -2.128 -7.713 4.897 1.00 0.22 H new ATOM 0 HA2 GLY A 29 -2.077 -10.132 6.241 1.00 0.28 H new ATOM 0 HA3 GLY A 29 -0.986 -8.786 6.506 1.00 0.28 H new ATOM 485 N ALA A 30 -2.887 -7.581 8.226 1.00 0.29 N ATOM 486 CA ALA A 30 -3.493 -7.207 9.493 1.00 0.36 C ATOM 487 C ALA A 30 -4.866 -7.858 9.661 1.00 0.36 C ATOM 488 O ALA A 30 -5.172 -8.364 10.735 1.00 0.48 O ATOM 489 CB ALA A 30 -3.588 -5.683 9.609 1.00 0.41 C ATOM 0 H ALA A 30 -2.658 -6.784 7.632 1.00 0.29 H new ATOM 0 HA ALA A 30 -2.856 -7.573 10.298 1.00 0.36 H new ATOM 0 HB1 ALA A 30 -4.044 -5.418 10.563 1.00 0.41 H new ATOM 0 HB2 ALA A 30 -2.589 -5.251 9.552 1.00 0.41 H new ATOM 0 HB3 ALA A 30 -4.199 -5.293 8.795 1.00 0.41 H new ATOM 495 N LEU A 31 -5.696 -7.866 8.616 1.00 0.29 N ATOM 496 CA LEU A 31 -7.004 -8.465 8.640 1.00 0.33 C ATOM 497 C LEU A 31 -6.859 -9.983 8.780 1.00 0.36 C ATOM 498 O LEU A 31 -7.541 -10.580 9.602 1.00 0.50 O ATOM 499 CB LEU A 31 -7.724 -7.968 7.375 1.00 0.34 C ATOM 500 CG LEU A 31 -8.902 -8.830 6.962 1.00 0.50 C ATOM 501 CD1 LEU A 31 -10.033 -8.801 7.996 1.00 0.65 C ATOM 502 CD2 LEU A 31 -9.436 -8.387 5.595 1.00 0.60 C ATOM 0 H LEU A 31 -5.460 -7.444 7.718 1.00 0.29 H new ATOM 0 HA LEU A 31 -7.616 -8.177 9.495 1.00 0.33 H new ATOM 0 HB2 LEU A 31 -8.073 -6.949 7.543 1.00 0.34 H new ATOM 0 HB3 LEU A 31 -7.009 -7.928 6.553 1.00 0.34 H new ATOM 0 HG LEU A 31 -8.539 -9.856 6.897 1.00 0.50 H new ATOM 0 HD11 LEU A 31 -10.853 -9.433 7.656 1.00 0.65 H new ATOM 0 HD12 LEU A 31 -9.662 -9.171 8.952 1.00 0.65 H new ATOM 0 HD13 LEU A 31 -10.389 -7.778 8.117 1.00 0.65 H new ATOM 0 HD21 LEU A 31 -10.281 -9.016 5.313 1.00 0.60 H new ATOM 0 HD22 LEU A 31 -9.759 -7.348 5.650 1.00 0.60 H new ATOM 0 HD23 LEU A 31 -8.648 -8.483 4.848 1.00 0.60 H new ATOM 514 N LEU A 32 -5.961 -10.622 8.025 1.00 0.31 N ATOM 515 CA LEU A 32 -5.732 -12.056 8.169 1.00 0.39 C ATOM 516 C LEU A 32 -5.314 -12.393 9.605 1.00 0.38 C ATOM 517 O LEU A 32 -5.777 -13.380 10.170 1.00 0.47 O ATOM 518 CB LEU A 32 -4.683 -12.536 7.155 1.00 0.52 C ATOM 519 CG LEU A 32 -5.159 -12.457 5.694 1.00 0.94 C ATOM 520 CD1 LEU A 32 -3.960 -12.654 4.760 1.00 1.61 C ATOM 521 CD2 LEU A 32 -6.218 -13.522 5.378 1.00 1.65 C ATOM 0 H LEU A 32 -5.386 -10.170 7.314 1.00 0.31 H new ATOM 0 HA LEU A 32 -6.664 -12.582 7.962 1.00 0.39 H new ATOM 0 HB2 LEU A 32 -3.780 -11.936 7.267 1.00 0.52 H new ATOM 0 HB3 LEU A 32 -4.412 -13.566 7.385 1.00 0.52 H new ATOM 0 HG LEU A 32 -5.610 -11.476 5.543 1.00 0.94 H new ATOM 0 HD11 LEU A 32 -4.293 -12.599 3.724 1.00 1.61 H new ATOM 0 HD12 LEU A 32 -3.222 -11.874 4.946 1.00 1.61 H new ATOM 0 HD13 LEU A 32 -3.511 -13.630 4.945 1.00 1.61 H new ATOM 0 HD21 LEU A 32 -6.526 -13.431 4.337 1.00 1.65 H new ATOM 0 HD22 LEU A 32 -5.798 -14.514 5.547 1.00 1.65 H new ATOM 0 HD23 LEU A 32 -7.083 -13.379 6.026 1.00 1.65 H new ATOM 533 N MET A 33 -4.441 -11.574 10.197 1.00 0.35 N ATOM 534 CA MET A 33 -3.979 -11.761 11.564 1.00 0.41 C ATOM 535 C MET A 33 -5.093 -11.488 12.584 1.00 0.49 C ATOM 536 O MET A 33 -5.197 -12.200 13.580 1.00 0.67 O ATOM 537 CB MET A 33 -2.756 -10.863 11.799 1.00 0.50 C ATOM 538 CG MET A 33 -2.098 -11.134 13.157 1.00 1.62 C ATOM 539 SD MET A 33 -0.563 -10.216 13.434 1.00 2.39 S ATOM 540 CE MET A 33 -0.110 -10.833 15.070 1.00 3.84 C ATOM 0 H MET A 33 -4.036 -10.760 9.734 1.00 0.35 H new ATOM 0 HA MET A 33 -3.691 -12.802 11.706 1.00 0.41 H new ATOM 0 HB2 MET A 33 -2.028 -11.026 11.004 1.00 0.50 H new ATOM 0 HB3 MET A 33 -3.058 -9.817 11.745 1.00 0.50 H new ATOM 0 HG2 MET A 33 -2.806 -10.884 13.947 1.00 1.62 H new ATOM 0 HG3 MET A 33 -1.890 -12.201 13.241 1.00 1.62 H new ATOM 0 HE1 MET A 33 0.820 -10.364 15.391 1.00 3.84 H new ATOM 0 HE2 MET A 33 -0.901 -10.594 15.781 1.00 3.84 H new ATOM 0 HE3 MET A 33 0.025 -11.914 15.027 1.00 3.84 H new ATOM 550 N GLY A 34 -5.880 -10.431 12.367 1.00 0.58 N ATOM 551 CA GLY A 34 -6.821 -9.862 13.318 1.00 0.94 C ATOM 552 C GLY A 34 -8.224 -9.755 12.727 1.00 1.75 C ATOM 553 O GLY A 34 -8.840 -8.693 12.777 1.00 3.16 O ATOM 0 H GLY A 34 -5.873 -9.929 11.479 1.00 0.58 H new ATOM 0 HA2 GLY A 34 -6.850 -10.480 14.215 1.00 0.94 H new ATOM 0 HA3 GLY A 34 -6.478 -8.873 13.623 1.00 0.94 H new ATOM 557 N LEU A 35 -8.694 -10.871 12.171 1.00 2.70 N ATOM 558 CA LEU A 35 -10.081 -11.112 11.793 1.00 4.42 C ATOM 559 C LEU A 35 -11.030 -10.709 12.926 1.00 5.29 C ATOM 560 O LEU A 35 -12.134 -10.259 12.621 1.00 6.20 O ATOM 561 CB LEU A 35 -10.281 -12.606 11.485 1.00 6.00 C ATOM 562 CG LEU A 35 -9.456 -13.148 10.305 1.00 7.03 C ATOM 563 CD1 LEU A 35 -9.501 -14.680 10.309 1.00 8.66 C ATOM 564 CD2 LEU A 35 -9.984 -12.637 8.959 1.00 7.80 C ATOM 565 OXT LEU A 35 -10.730 -11.033 14.076 1.00 5.92 O ATOM 0 H LEU A 35 -8.089 -11.666 11.964 1.00 2.70 H new ATOM 0 HA LEU A 35 -10.304 -10.512 10.911 1.00 4.42 H new ATOM 0 HB2 LEU A 35 -10.031 -13.181 12.377 1.00 6.00 H new ATOM 0 HB3 LEU A 35 -11.337 -12.780 11.279 1.00 6.00 H new ATOM 0 HG LEU A 35 -8.432 -12.795 10.427 1.00 7.03 H new ATOM 0 HD11 LEU A 35 -8.916 -15.063 9.473 1.00 8.66 H new ATOM 0 HD12 LEU A 35 -9.085 -15.054 11.244 1.00 8.66 H new ATOM 0 HD13 LEU A 35 -10.534 -15.014 10.213 1.00 8.66 H new ATOM 0 HD21 LEU A 35 -9.374 -13.042 8.151 1.00 7.80 H new ATOM 0 HD22 LEU A 35 -11.018 -12.956 8.829 1.00 7.80 H new ATOM 0 HD23 LEU A 35 -9.935 -11.548 8.939 1.00 7.80 H new TER 577 LEU A 35