USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 40:sc= 0.0645 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0614 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0736 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc=-0.00509 (180deg=-0.121) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0941 X(o=-0.094,f=-0.23) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.862 -19.424 -3.139 1.00 0.00 N ATOM 2 CA ALA A 1 -11.936 -20.174 -2.255 1.00 0.00 C ATOM 3 C ALA A 1 -10.824 -19.265 -1.712 1.00 0.00 C ATOM 4 O ALA A 1 -10.842 -18.919 -0.528 1.00 0.00 O ATOM 5 CB ALA A 1 -11.383 -21.438 -2.941 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.602 -20.065 -3.490 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.301 -18.648 -2.603 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.333 -19.032 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.510 -20.521 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.710 -21.957 -2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.209 -22.098 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.839 -21.155 -3.842 1.00 0.00 H new ATOM 13 N GLY A 2 -9.859 -18.865 -2.553 1.00 0.00 N ATOM 14 CA GLY A 2 -8.767 -17.942 -2.207 1.00 0.00 C ATOM 15 C GLY A 2 -9.179 -16.461 -2.155 1.00 0.00 C ATOM 16 O GLY A 2 -10.367 -16.120 -2.147 1.00 0.00 O ATOM 0 H GLY A 2 -9.815 -19.184 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.360 -18.228 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.965 -18.058 -2.936 1.00 0.00 H new ATOM 20 N HIS A 3 -8.174 -15.580 -2.118 1.00 0.00 N ATOM 21 CA HIS A 3 -8.289 -14.110 -2.088 1.00 0.00 C ATOM 22 C HIS A 3 -7.616 -13.458 -3.312 1.00 0.00 C ATOM 23 O HIS A 3 -6.944 -14.132 -4.096 1.00 0.00 O ATOM 24 CB HIS A 3 -7.718 -13.594 -0.749 1.00 0.00 C ATOM 25 CG HIS A 3 -6.248 -13.889 -0.557 1.00 0.00 C ATOM 26 ND1 HIS A 3 -5.718 -15.059 -0.040 1.00 0.00 N ATOM 27 CD2 HIS A 3 -5.209 -13.061 -0.889 1.00 0.00 C ATOM 28 CE1 HIS A 3 -4.374 -14.950 -0.075 1.00 0.00 C ATOM 29 NE2 HIS A 3 -4.042 -13.742 -0.582 1.00 0.00 N ATOM 0 H HIS A 3 -7.201 -15.887 -2.107 1.00 0.00 H new ATOM 0 HA HIS A 3 -9.339 -13.825 -2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.873 -12.517 -0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.279 -14.042 0.071 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.285 -12.069 -1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.675 -15.707 0.250 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.094 -13.391 -0.716 1.00 0.00 H new ATOM 38 N MET A 4 -7.782 -12.140 -3.461 1.00 0.00 N ATOM 39 CA MET A 4 -7.219 -11.313 -4.545 1.00 0.00 C ATOM 40 C MET A 4 -6.638 -10.002 -3.988 1.00 0.00 C ATOM 41 O MET A 4 -5.420 -9.886 -3.835 1.00 0.00 O ATOM 42 CB MET A 4 -8.293 -11.067 -5.626 1.00 0.00 C ATOM 43 CG MET A 4 -8.371 -12.179 -6.681 1.00 0.00 C ATOM 44 SD MET A 4 -10.066 -12.688 -7.093 1.00 0.00 S ATOM 45 CE MET A 4 -9.928 -12.856 -8.894 1.00 0.00 C ATOM 0 H MET A 4 -8.336 -11.592 -2.803 1.00 0.00 H new ATOM 0 HA MET A 4 -6.392 -11.846 -5.014 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.265 -10.967 -5.144 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.085 -10.120 -6.124 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.873 -11.840 -7.589 1.00 0.00 H new ATOM 0 HG3 MET A 4 -7.819 -13.047 -6.321 1.00 0.00 H new ATOM 0 HE1 MET A 4 -10.889 -13.165 -9.305 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.638 -11.899 -9.328 1.00 0.00 H new ATOM 0 HE3 MET A 4 -9.173 -13.605 -9.133 1.00 0.00 H new ATOM 55 N LYS A 5 -7.491 -9.020 -3.662 1.00 0.00 N ATOM 56 CA LYS A 5 -7.107 -7.724 -3.076 1.00 0.00 C ATOM 57 C LYS A 5 -6.838 -7.825 -1.570 1.00 0.00 C ATOM 58 O LYS A 5 -7.762 -8.042 -0.786 1.00 0.00 O ATOM 59 CB LYS A 5 -8.187 -6.661 -3.362 1.00 0.00 C ATOM 60 CG LYS A 5 -7.976 -5.941 -4.709 1.00 0.00 C ATOM 61 CD LYS A 5 -9.177 -6.118 -5.642 1.00 0.00 C ATOM 62 CE LYS A 5 -9.081 -5.263 -6.916 1.00 0.00 C ATOM 63 NZ LYS A 5 -8.164 -5.845 -7.934 1.00 0.00 N ATOM 0 H LYS A 5 -8.498 -9.107 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.174 -7.420 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.168 -7.137 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.187 -5.925 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.807 -4.879 -4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.080 -6.330 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.261 -7.168 -5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.089 -5.858 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.075 -5.153 -7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.736 -4.263 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.138 -5.228 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.208 -5.926 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.505 -6.788 -8.210 1.00 0.00 H new ATOM 77 N GLU A 6 -5.574 -7.689 -1.170 1.00 0.00 N ATOM 78 CA GLU A 6 -5.158 -7.654 0.240 1.00 0.00 C ATOM 79 C GLU A 6 -5.425 -6.262 0.839 1.00 0.00 C ATOM 80 O GLU A 6 -6.308 -6.106 1.685 1.00 0.00 O ATOM 81 CB GLU A 6 -3.673 -8.028 0.385 1.00 0.00 C ATOM 82 CG GLU A 6 -3.431 -9.546 0.345 1.00 0.00 C ATOM 83 CD GLU A 6 -2.746 -10.032 1.639 1.00 0.00 C ATOM 84 OE1 GLU A 6 -1.493 -10.000 1.717 1.00 0.00 O ATOM 85 OE2 GLU A 6 -3.459 -10.446 2.586 1.00 0.00 O ATOM 0 H GLU A 6 -4.795 -7.598 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.746 -8.390 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.104 -7.553 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.293 -7.629 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.380 -10.066 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.810 -9.796 -0.515 1.00 0.00 H new ATOM 92 N PHE A 7 -4.678 -5.241 0.392 1.00 0.00 N ATOM 93 CA PHE A 7 -4.863 -3.857 0.832 1.00 0.00 C ATOM 94 C PHE A 7 -5.958 -3.154 0.011 1.00 0.00 C ATOM 95 O PHE A 7 -5.811 -2.915 -1.191 1.00 0.00 O ATOM 96 CB PHE A 7 -3.511 -3.119 0.783 1.00 0.00 C ATOM 97 CG PHE A 7 -2.634 -3.425 1.988 1.00 0.00 C ATOM 98 CD1 PHE A 7 -3.118 -3.131 3.277 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.354 -3.999 1.847 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.348 -3.429 4.411 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.592 -4.311 2.992 1.00 0.00 C ATOM 102 CZ PHE A 7 -1.090 -4.026 4.272 1.00 0.00 C ATOM 0 H PHE A 7 -3.926 -5.357 -0.288 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.211 -3.846 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.981 -3.399 -0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.689 -2.045 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.089 -2.673 3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.957 -4.200 0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.727 -3.197 5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.379 -4.771 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.505 -4.266 5.147 1.00 0.00 H new ATOM 112 N ARG A 8 -7.064 -2.809 0.685 1.00 0.00 N ATOM 113 CA ARG A 8 -8.210 -2.059 0.136 1.00 0.00 C ATOM 114 C ARG A 8 -7.951 -0.543 0.089 1.00 0.00 C ATOM 115 O ARG A 8 -7.137 -0.043 0.867 1.00 0.00 O ATOM 116 CB ARG A 8 -9.459 -2.364 0.989 1.00 0.00 C ATOM 117 CG ARG A 8 -10.305 -3.469 0.344 1.00 0.00 C ATOM 118 CD ARG A 8 -11.558 -3.765 1.183 1.00 0.00 C ATOM 119 NE ARG A 8 -12.738 -4.012 0.329 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.936 -4.412 0.717 1.00 0.00 C ATOM 121 NH1 ARG A 8 -14.190 -4.737 1.954 1.00 0.00 N ATOM 122 NH2 ARG A 8 -14.914 -4.489 -0.139 1.00 0.00 N ATOM 0 H ARG A 8 -7.193 -3.053 1.667 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.366 -2.381 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.155 -2.671 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.058 -1.460 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.599 -3.167 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.709 -4.376 0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.377 -4.635 1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.759 -2.925 1.848 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.614 -3.856 -0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.452 -4.686 2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.127 -5.042 2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.758 -4.240 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.836 -4.799 0.167 1.00 0.00 H new ATOM 136 N PRO A 9 -8.673 0.217 -0.759 1.00 0.00 N ATOM 137 CA PRO A 9 -8.559 1.674 -0.816 1.00 0.00 C ATOM 138 C PRO A 9 -9.148 2.327 0.445 1.00 0.00 C ATOM 139 O PRO A 9 -10.232 1.955 0.902 1.00 0.00 O ATOM 140 CB PRO A 9 -9.310 2.085 -2.084 1.00 0.00 C ATOM 141 CG PRO A 9 -10.379 1.005 -2.228 1.00 0.00 C ATOM 142 CD PRO A 9 -9.683 -0.249 -1.701 1.00 0.00 C ATOM 0 HA PRO A 9 -7.521 2.004 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.751 3.077 -1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.649 2.115 -2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.272 1.243 -1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.693 0.885 -3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.395 -0.914 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.227 -0.813 -2.515 1.00 0.00 H new ATOM 150 N GLY A 10 -8.417 3.268 1.050 1.00 0.00 N ATOM 151 CA GLY A 10 -8.836 3.967 2.270 1.00 0.00 C ATOM 152 C GLY A 10 -8.500 3.217 3.567 1.00 0.00 C ATOM 153 O GLY A 10 -8.680 3.773 4.652 1.00 0.00 O ATOM 0 H GLY A 10 -7.507 3.570 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.361 4.947 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.912 4.136 2.228 1.00 0.00 H new ATOM 157 N ASP A 11 -8.039 1.961 3.482 1.00 0.00 N ATOM 158 CA ASP A 11 -7.678 1.148 4.646 1.00 0.00 C ATOM 159 C ASP A 11 -6.540 1.817 5.435 1.00 0.00 C ATOM 160 O ASP A 11 -5.549 2.279 4.857 1.00 0.00 O ATOM 161 CB ASP A 11 -7.297 -0.285 4.220 1.00 0.00 C ATOM 162 CG ASP A 11 -7.763 -1.339 5.240 1.00 0.00 C ATOM 163 OD1 ASP A 11 -7.615 -1.112 6.462 1.00 0.00 O ATOM 164 OD2 ASP A 11 -8.276 -2.403 4.819 1.00 0.00 O ATOM 0 H ASP A 11 -7.906 1.479 2.593 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.547 1.076 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.739 -0.503 3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.216 -0.351 4.100 1.00 0.00 H new ATOM 169 N LYS A 12 -6.697 1.899 6.757 1.00 0.00 N ATOM 170 CA LYS A 12 -5.715 2.471 7.684 1.00 0.00 C ATOM 171 C LYS A 12 -4.495 1.559 7.787 1.00 0.00 C ATOM 172 O LYS A 12 -4.562 0.476 8.372 1.00 0.00 O ATOM 173 CB LYS A 12 -6.399 2.753 9.038 1.00 0.00 C ATOM 174 CG LYS A 12 -6.493 4.267 9.297 1.00 0.00 C ATOM 175 CD LYS A 12 -7.693 4.612 10.188 1.00 0.00 C ATOM 176 CE LYS A 12 -8.033 6.107 10.089 1.00 0.00 C ATOM 177 NZ LYS A 12 -7.371 6.920 11.141 1.00 0.00 N ATOM 0 H LYS A 12 -7.536 1.559 7.228 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.343 3.426 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.397 2.316 9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.837 2.276 9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.575 4.614 9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.580 4.795 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.556 4.017 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.470 4.353 11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.735 6.478 9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.113 6.235 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.636 7.919 11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.674 6.588 12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.339 6.823 11.056 1.00 0.00 H new ATOM 191 N VAL A 13 -3.382 1.985 7.196 1.00 0.00 N ATOM 192 CA VAL A 13 -2.119 1.234 7.147 1.00 0.00 C ATOM 193 C VAL A 13 -0.944 2.069 7.666 1.00 0.00 C ATOM 194 O VAL A 13 -0.984 3.298 7.633 1.00 0.00 O ATOM 195 CB VAL A 13 -1.852 0.675 5.742 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.979 -0.244 5.266 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.618 1.727 4.649 1.00 0.00 C ATOM 0 H VAL A 13 -3.326 2.887 6.723 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.220 0.380 7.817 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.921 0.124 5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.748 -0.616 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.078 -1.085 5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.915 0.313 5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.439 1.228 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.497 2.366 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.751 2.335 4.909 1.00 0.00 H new ATOM 207 N VAL A 14 0.119 1.414 8.137 1.00 0.00 N ATOM 208 CA VAL A 14 1.370 2.052 8.589 1.00 0.00 C ATOM 209 C VAL A 14 2.457 1.899 7.530 1.00 0.00 C ATOM 210 O VAL A 14 2.728 0.799 7.042 1.00 0.00 O ATOM 211 CB VAL A 14 1.834 1.538 9.970 1.00 0.00 C ATOM 212 CG1 VAL A 14 1.773 0.018 10.097 1.00 0.00 C ATOM 213 CG2 VAL A 14 3.266 1.974 10.321 1.00 0.00 C ATOM 0 H VAL A 14 0.140 0.398 8.219 1.00 0.00 H new ATOM 0 HA VAL A 14 1.167 3.115 8.720 1.00 0.00 H new ATOM 0 HB VAL A 14 1.128 1.991 10.666 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.112 -0.278 11.090 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.747 -0.319 9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.417 -0.436 9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.535 1.583 11.302 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.958 1.586 9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.321 3.062 10.337 1.00 0.00 H new ATOM 223 N LEU A 15 3.091 3.020 7.185 1.00 0.00 N ATOM 224 CA LEU A 15 4.227 3.073 6.272 1.00 0.00 C ATOM 225 C LEU A 15 5.223 4.162 6.715 1.00 0.00 C ATOM 226 O LEU A 15 4.955 5.348 6.511 1.00 0.00 O ATOM 227 CB LEU A 15 3.692 3.279 4.849 1.00 0.00 C ATOM 228 CG LEU A 15 4.764 3.256 3.746 1.00 0.00 C ATOM 229 CD1 LEU A 15 5.768 2.108 3.875 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.074 3.073 2.400 1.00 0.00 C ATOM 0 H LEU A 15 2.821 3.936 7.542 1.00 0.00 H new ATOM 0 HA LEU A 15 4.786 2.138 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.956 2.503 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.169 4.234 4.808 1.00 0.00 H new ATOM 0 HG LEU A 15 5.307 4.197 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.490 2.163 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.290 2.187 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.240 1.156 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.822 3.055 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.521 2.134 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.384 3.900 2.229 1.00 0.00 H new ATOM 242 N PRO A 16 6.338 3.810 7.381 1.00 0.00 N ATOM 243 CA PRO A 16 7.352 4.784 7.785 1.00 0.00 C ATOM 244 C PRO A 16 8.141 5.360 6.583 1.00 0.00 C ATOM 245 O PRO A 16 8.153 4.754 5.506 1.00 0.00 O ATOM 246 CB PRO A 16 8.252 4.028 8.771 1.00 0.00 C ATOM 247 CG PRO A 16 8.125 2.568 8.343 1.00 0.00 C ATOM 248 CD PRO A 16 6.690 2.473 7.837 1.00 0.00 C ATOM 0 HA PRO A 16 6.901 5.664 8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.285 4.372 8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.925 4.172 9.801 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.844 2.313 7.564 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.303 1.888 9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.609 1.750 7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.018 2.141 8.628 1.00 0.00 H new ATOM 256 N PRO A 17 8.816 6.520 6.743 1.00 0.00 N ATOM 257 CA PRO A 17 8.900 7.331 7.966 1.00 0.00 C ATOM 258 C PRO A 17 7.628 8.151 8.278 1.00 0.00 C ATOM 259 O PRO A 17 7.515 8.705 9.372 1.00 0.00 O ATOM 260 CB PRO A 17 10.107 8.248 7.743 1.00 0.00 C ATOM 261 CG PRO A 17 10.090 8.478 6.234 1.00 0.00 C ATOM 262 CD PRO A 17 9.627 7.126 5.692 1.00 0.00 C ATOM 0 HA PRO A 17 9.004 6.683 8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.011 9.183 8.295 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.035 7.779 8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.408 9.281 5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.075 8.750 5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.048 7.251 4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.480 6.493 5.445 1.00 0.00 H new ATOM 270 N TYR A 18 6.651 8.194 7.361 1.00 0.00 N ATOM 271 CA TYR A 18 5.359 8.879 7.528 1.00 0.00 C ATOM 272 C TYR A 18 4.568 8.358 8.742 1.00 0.00 C ATOM 273 O TYR A 18 3.966 9.133 9.486 1.00 0.00 O ATOM 274 CB TYR A 18 4.522 8.724 6.244 1.00 0.00 C ATOM 275 CG TYR A 18 5.292 8.913 4.948 1.00 0.00 C ATOM 276 CD1 TYR A 18 5.738 10.197 4.585 1.00 0.00 C ATOM 277 CD2 TYR A 18 5.569 7.807 4.114 1.00 0.00 C ATOM 278 CE1 TYR A 18 6.456 10.381 3.389 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.282 7.989 2.910 1.00 0.00 C ATOM 280 CZ TYR A 18 6.726 9.280 2.546 1.00 0.00 C ATOM 281 OH TYR A 18 7.417 9.474 1.389 1.00 0.00 O ATOM 0 H TYR A 18 6.740 7.738 6.453 1.00 0.00 H new ATOM 0 HA TYR A 18 5.568 9.933 7.713 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.071 7.731 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.705 9.445 6.272 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.529 11.042 5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.234 6.820 4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.802 11.367 3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.488 7.144 2.269 1.00 0.00 H new ATOM 0 HH TYR A 18 7.521 8.618 0.923 1.00 0.00 H new ATOM 291 N GLY A 19 4.573 7.036 8.944 1.00 0.00 N ATOM 292 CA GLY A 19 3.964 6.322 10.076 1.00 0.00 C ATOM 293 C GLY A 19 2.503 5.920 9.844 1.00 0.00 C ATOM 294 O GLY A 19 2.022 4.979 10.470 1.00 0.00 O ATOM 0 H GLY A 19 5.026 6.400 8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.548 5.426 10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.020 6.953 10.963 1.00 0.00 H new ATOM 298 N VAL A 20 1.794 6.598 8.938 1.00 0.00 N ATOM 299 CA VAL A 20 0.423 6.291 8.511 1.00 0.00 C ATOM 300 C VAL A 20 0.284 6.630 7.025 1.00 0.00 C ATOM 301 O VAL A 20 0.584 7.759 6.628 1.00 0.00 O ATOM 302 CB VAL A 20 -0.640 7.084 9.317 1.00 0.00 C ATOM 303 CG1 VAL A 20 -2.057 6.624 8.947 1.00 0.00 C ATOM 304 CG2 VAL A 20 -0.495 6.929 10.837 1.00 0.00 C ATOM 0 H VAL A 20 2.176 7.414 8.459 1.00 0.00 H new ATOM 0 HA VAL A 20 0.245 5.231 8.692 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.475 8.129 9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.786 7.193 9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.227 6.789 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.165 5.563 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.270 7.510 11.338 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.598 5.878 11.107 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.486 7.289 11.148 1.00 0.00 H new ATOM 314 N GLY A 21 -0.165 5.671 6.220 1.00 0.00 N ATOM 315 CA GLY A 21 -0.465 5.826 4.799 1.00 0.00 C ATOM 316 C GLY A 21 -1.916 5.446 4.478 1.00 0.00 C ATOM 317 O GLY A 21 -2.593 4.791 5.276 1.00 0.00 O ATOM 0 H GLY A 21 -0.337 4.723 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.285 6.859 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.212 5.203 4.215 1.00 0.00 H new ATOM 321 N VAL A 22 -2.378 5.842 3.291 1.00 0.00 N ATOM 322 CA VAL A 22 -3.707 5.525 2.754 1.00 0.00 C ATOM 323 C VAL A 22 -3.568 5.000 1.330 1.00 0.00 C ATOM 324 O VAL A 22 -3.085 5.699 0.443 1.00 0.00 O ATOM 325 CB VAL A 22 -4.639 6.753 2.801 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.956 6.481 2.070 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.004 7.124 4.243 1.00 0.00 C ATOM 0 H VAL A 22 -1.821 6.411 2.654 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.160 4.753 3.376 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.091 7.564 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.590 7.366 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.750 6.242 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.467 5.641 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.662 7.993 4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.514 6.285 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.096 7.358 4.799 1.00 0.00 H new ATOM 337 N VAL A 23 -3.974 3.752 1.111 1.00 0.00 N ATOM 338 CA VAL A 23 -4.015 3.114 -0.215 1.00 0.00 C ATOM 339 C VAL A 23 -5.080 3.810 -1.083 1.00 0.00 C ATOM 340 O VAL A 23 -6.210 4.000 -0.630 1.00 0.00 O ATOM 341 CB VAL A 23 -4.352 1.617 -0.063 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.355 0.903 -1.422 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.424 0.859 0.911 1.00 0.00 C ATOM 0 H VAL A 23 -4.291 3.138 1.861 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.041 3.208 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.353 1.599 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.596 -0.150 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.101 1.361 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.370 0.991 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.727 -0.187 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.395 0.922 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.494 1.306 1.903 1.00 0.00 H new ATOM 353 N ALA A 24 -4.748 4.179 -2.322 1.00 0.00 N ATOM 354 CA ALA A 24 -5.660 4.810 -3.284 1.00 0.00 C ATOM 355 C ALA A 24 -6.220 3.813 -4.320 1.00 0.00 C ATOM 356 O ALA A 24 -7.423 3.802 -4.587 1.00 0.00 O ATOM 357 CB ALA A 24 -4.918 5.963 -3.973 1.00 0.00 C ATOM 0 H ALA A 24 -3.809 4.044 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.526 5.189 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.581 6.444 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.603 6.691 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.042 5.574 -4.491 1.00 0.00 H new ATOM 363 N GLY A 25 -5.358 2.968 -4.896 1.00 0.00 N ATOM 364 CA GLY A 25 -5.714 1.954 -5.897 1.00 0.00 C ATOM 365 C GLY A 25 -4.501 1.209 -6.460 1.00 0.00 C ATOM 366 O GLY A 25 -3.355 1.529 -6.136 1.00 0.00 O ATOM 0 H GLY A 25 -4.363 2.970 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.398 1.234 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.250 2.434 -6.716 1.00 0.00 H new ATOM 370 N ILE A 26 -4.754 0.203 -7.299 1.00 0.00 N ATOM 371 CA ILE A 26 -3.726 -0.600 -7.966 1.00 0.00 C ATOM 372 C ILE A 26 -3.289 0.087 -9.269 1.00 0.00 C ATOM 373 O ILE A 26 -4.120 0.428 -10.112 1.00 0.00 O ATOM 374 CB ILE A 26 -4.230 -2.041 -8.262 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.515 -2.880 -6.993 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.151 -2.805 -9.051 1.00 0.00 C ATOM 377 CD1 ILE A 26 -5.814 -2.532 -6.260 1.00 0.00 C ATOM 0 H ILE A 26 -5.703 -0.083 -7.540 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.872 -0.679 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.162 -1.917 -8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.545 -3.933 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.682 -2.757 -6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.501 -3.816 -9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.952 -2.288 -9.990 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.235 -2.853 -8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.922 -3.175 -5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.785 -1.490 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.661 -2.684 -6.929 1.00 0.00 H new ATOM 389 N ALA A 27 -1.974 0.248 -9.442 1.00 0.00 N ATOM 390 CA ALA A 27 -1.348 0.788 -10.645 1.00 0.00 C ATOM 391 C ALA A 27 -0.370 -0.246 -11.245 1.00 0.00 C ATOM 392 O ALA A 27 0.624 -0.605 -10.616 1.00 0.00 O ATOM 393 CB ALA A 27 -0.638 2.099 -10.281 1.00 0.00 C ATOM 0 H ALA A 27 -1.296 -0.003 -8.722 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.101 0.997 -11.405 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.165 2.515 -11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.366 2.810 -9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.121 1.904 -9.524 1.00 0.00 H new ATOM 399 N GLN A 28 -0.648 -0.738 -12.460 1.00 0.00 N ATOM 400 CA GLN A 28 0.249 -1.643 -13.187 1.00 0.00 C ATOM 401 C GLN A 28 1.365 -0.855 -13.914 1.00 0.00 C ATOM 402 O GLN A 28 1.095 -0.084 -14.842 1.00 0.00 O ATOM 403 CB GLN A 28 -0.526 -2.570 -14.134 1.00 0.00 C ATOM 404 CG GLN A 28 -1.598 -3.401 -13.407 1.00 0.00 C ATOM 405 CD GLN A 28 -1.870 -4.733 -14.107 1.00 0.00 C ATOM 406 OE1 GLN A 28 -2.881 -4.930 -14.771 1.00 0.00 O ATOM 407 NE2 GLN A 28 -0.987 -5.705 -13.987 1.00 0.00 N ATOM 0 H GLN A 28 -1.505 -0.518 -12.967 1.00 0.00 H new ATOM 0 HA GLN A 28 0.737 -2.288 -12.457 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.001 -1.973 -14.912 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.174 -3.242 -14.631 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.276 -3.590 -12.383 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.523 -2.827 -13.350 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.140 -5.559 -13.438 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.151 -6.603 -14.443 1.00 0.00 H new ATOM 416 N ARG A 29 2.617 -1.026 -13.469 1.00 0.00 N ATOM 417 CA ARG A 29 3.847 -0.441 -14.036 1.00 0.00 C ATOM 418 C ARG A 29 4.557 -1.431 -14.963 1.00 0.00 C ATOM 419 O ARG A 29 5.034 -2.469 -14.504 1.00 0.00 O ATOM 420 CB ARG A 29 4.791 -0.023 -12.891 1.00 0.00 C ATOM 421 CG ARG A 29 4.416 1.330 -12.263 1.00 0.00 C ATOM 422 CD ARG A 29 4.925 2.531 -13.083 1.00 0.00 C ATOM 423 NE ARG A 29 6.403 2.590 -13.137 1.00 0.00 N ATOM 424 CZ ARG A 29 7.236 2.966 -12.181 1.00 0.00 C ATOM 425 NH1 ARG A 29 6.818 3.422 -11.034 1.00 0.00 N ATOM 426 NH2 ARG A 29 8.523 2.884 -12.359 1.00 0.00 N ATOM 0 H ARG A 29 2.814 -1.610 -12.656 1.00 0.00 H new ATOM 0 HA ARG A 29 3.573 0.433 -14.626 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.778 -0.792 -12.118 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.811 0.030 -13.270 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.332 1.394 -12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.827 1.384 -11.255 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.529 2.470 -14.097 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.543 3.454 -12.647 1.00 0.00 H new ATOM 0 HE ARG A 29 6.831 2.306 -14.018 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.818 3.499 -10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.491 3.702 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.894 2.528 -13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.160 3.176 -11.618 1.00 0.00 H new ATOM 440 N SER A 30 4.641 -1.101 -16.253 1.00 0.00 N ATOM 441 CA SER A 30 5.368 -1.858 -17.286 1.00 0.00 C ATOM 442 C SER A 30 6.885 -1.906 -17.014 1.00 0.00 C ATOM 443 O SER A 30 7.598 -0.913 -17.178 1.00 0.00 O ATOM 444 CB SER A 30 5.037 -1.324 -18.691 1.00 0.00 C ATOM 445 OG SER A 30 5.285 0.070 -18.840 1.00 0.00 O ATOM 0 H SER A 30 4.188 -0.267 -16.626 1.00 0.00 H new ATOM 0 HA SER A 30 5.025 -2.892 -17.242 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.626 -1.871 -19.427 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.988 -1.524 -18.910 1.00 0.00 H new ATOM 0 HG SER A 30 6.113 0.307 -18.372 1.00 0.00 H new ATOM 451 N VAL A 31 7.386 -3.063 -16.560 1.00 0.00 N ATOM 452 CA VAL A 31 8.793 -3.296 -16.177 1.00 0.00 C ATOM 453 C VAL A 31 9.287 -4.612 -16.785 1.00 0.00 C ATOM 454 O VAL A 31 8.667 -5.659 -16.606 1.00 0.00 O ATOM 455 CB VAL A 31 8.959 -3.291 -14.641 1.00 0.00 C ATOM 456 CG1 VAL A 31 10.415 -3.563 -14.236 1.00 0.00 C ATOM 457 CG2 VAL A 31 8.568 -1.938 -14.024 1.00 0.00 C ATOM 0 H VAL A 31 6.806 -3.894 -16.444 1.00 0.00 H new ATOM 0 HA VAL A 31 9.402 -2.482 -16.571 1.00 0.00 H new ATOM 0 HB VAL A 31 8.300 -4.077 -14.271 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.498 -3.553 -13.149 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.722 -4.538 -14.614 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.060 -2.791 -14.657 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.700 -1.979 -12.943 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.201 -1.153 -14.437 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.525 -1.721 -14.254 1.00 0.00 H new ATOM 467 N SER A 32 10.389 -4.580 -17.537 1.00 0.00 N ATOM 468 CA SER A 32 10.966 -5.758 -18.225 1.00 0.00 C ATOM 469 C SER A 32 9.991 -6.450 -19.201 1.00 0.00 C ATOM 470 O SER A 32 10.097 -7.649 -19.467 1.00 0.00 O ATOM 471 CB SER A 32 11.532 -6.767 -17.198 1.00 0.00 C ATOM 472 OG SER A 32 12.303 -6.132 -16.179 1.00 0.00 O ATOM 0 H SER A 32 10.922 -3.724 -17.694 1.00 0.00 H new ATOM 0 HA SER A 32 11.781 -5.378 -18.842 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.709 -7.314 -16.739 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.152 -7.499 -17.716 1.00 0.00 H new ATOM 0 HG SER A 32 12.638 -6.808 -15.553 1.00 0.00 H new ATOM 478 N GLY A 33 9.013 -5.698 -19.723 1.00 0.00 N ATOM 479 CA GLY A 33 7.944 -6.173 -20.614 1.00 0.00 C ATOM 480 C GLY A 33 6.690 -6.714 -19.909 1.00 0.00 C ATOM 481 O GLY A 33 5.684 -6.953 -20.579 1.00 0.00 O ATOM 0 H GLY A 33 8.941 -4.699 -19.528 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.647 -5.352 -21.267 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.349 -6.958 -21.252 1.00 0.00 H new ATOM 485 N VAL A 34 6.713 -6.877 -18.579 1.00 0.00 N ATOM 486 CA VAL A 34 5.584 -7.342 -17.753 1.00 0.00 C ATOM 487 C VAL A 34 5.089 -6.226 -16.834 1.00 0.00 C ATOM 488 O VAL A 34 5.859 -5.618 -16.092 1.00 0.00 O ATOM 489 CB VAL A 34 5.930 -8.618 -16.955 1.00 0.00 C ATOM 490 CG1 VAL A 34 6.060 -9.820 -17.897 1.00 0.00 C ATOM 491 CG2 VAL A 34 7.210 -8.544 -16.107 1.00 0.00 C ATOM 0 H VAL A 34 7.548 -6.682 -18.026 1.00 0.00 H new ATOM 0 HA VAL A 34 4.774 -7.609 -18.432 1.00 0.00 H new ATOM 0 HB VAL A 34 5.098 -8.726 -16.259 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.304 -10.711 -17.318 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.117 -9.975 -18.421 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.851 -9.630 -18.622 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.359 -9.491 -15.589 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.064 -8.347 -16.754 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.116 -7.741 -15.375 1.00 0.00 H new ATOM 501 N SER A 35 3.795 -5.902 -16.892 1.00 0.00 N ATOM 502 CA SER A 35 3.249 -4.853 -16.028 1.00 0.00 C ATOM 503 C SER A 35 2.954 -5.410 -14.634 1.00 0.00 C ATOM 504 O SER A 35 2.139 -6.326 -14.492 1.00 0.00 O ATOM 505 CB SER A 35 2.013 -4.230 -16.683 1.00 0.00 C ATOM 506 OG SER A 35 1.956 -2.864 -16.326 1.00 0.00 O ATOM 0 H SER A 35 3.117 -6.341 -17.515 1.00 0.00 H new ATOM 0 HA SER A 35 3.987 -4.061 -15.903 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.065 -4.336 -17.767 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.110 -4.745 -16.355 1.00 0.00 H new ATOM 0 HG SER A 35 1.170 -2.450 -16.740 1.00 0.00 H new ATOM 512 N ARG A 36 3.593 -4.858 -13.592 1.00 0.00 N ATOM 513 CA ARG A 36 3.421 -5.313 -12.198 1.00 0.00 C ATOM 514 C ARG A 36 2.518 -4.355 -11.449 1.00 0.00 C ATOM 515 O ARG A 36 2.695 -3.144 -11.532 1.00 0.00 O ATOM 516 CB ARG A 36 4.767 -5.452 -11.467 1.00 0.00 C ATOM 517 CG ARG A 36 5.751 -6.327 -12.252 1.00 0.00 C ATOM 518 CD ARG A 36 6.725 -7.094 -11.347 1.00 0.00 C ATOM 519 NE ARG A 36 7.305 -8.248 -12.063 1.00 0.00 N ATOM 520 CZ ARG A 36 8.152 -9.146 -11.593 1.00 0.00 C ATOM 521 NH1 ARG A 36 8.689 -9.041 -10.410 1.00 0.00 N ATOM 522 NH2 ARG A 36 8.477 -10.183 -12.310 1.00 0.00 N ATOM 0 H ARG A 36 4.246 -4.081 -13.689 1.00 0.00 H new ATOM 0 HA ARG A 36 2.961 -6.301 -12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.201 -4.464 -11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.602 -5.885 -10.480 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.191 -7.038 -12.859 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.319 -5.699 -12.938 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.522 -6.428 -11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.204 -7.438 -10.454 1.00 0.00 H new ATOM 0 HE ARG A 36 7.018 -8.365 -13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.459 -8.246 -9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.339 -9.754 -10.080 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.077 -10.305 -13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.132 -10.873 -11.941 1.00 0.00 H new ATOM 536 N ALA A 37 1.564 -4.904 -10.709 1.00 0.00 N ATOM 537 CA ALA A 37 0.641 -4.133 -9.893 1.00 0.00 C ATOM 538 C ALA A 37 1.328 -3.597 -8.626 1.00 0.00 C ATOM 539 O ALA A 37 2.047 -4.318 -7.925 1.00 0.00 O ATOM 540 CB ALA A 37 -0.568 -5.021 -9.589 1.00 0.00 C ATOM 0 H ALA A 37 1.409 -5.911 -10.659 1.00 0.00 H new ATOM 0 HA ALA A 37 0.302 -3.247 -10.429 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.280 -4.468 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.046 -5.317 -10.523 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.240 -5.910 -9.051 1.00 0.00 H new ATOM 546 N TYR A 38 1.065 -2.328 -8.329 1.00 0.00 N ATOM 547 CA TYR A 38 1.590 -1.600 -7.184 1.00 0.00 C ATOM 548 C TYR A 38 0.498 -0.756 -6.522 1.00 0.00 C ATOM 549 O TYR A 38 -0.182 0.025 -7.192 1.00 0.00 O ATOM 550 CB TYR A 38 2.744 -0.706 -7.649 1.00 0.00 C ATOM 551 CG TYR A 38 4.029 -1.451 -7.968 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.829 -1.918 -6.912 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.438 -1.672 -9.297 1.00 0.00 C ATOM 554 CE1 TYR A 38 6.038 -2.590 -7.167 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.658 -2.322 -9.562 1.00 0.00 C ATOM 556 CZ TYR A 38 6.458 -2.793 -8.499 1.00 0.00 C ATOM 557 OH TYR A 38 7.621 -3.448 -8.765 1.00 0.00 O ATOM 0 H TYR A 38 0.451 -1.755 -8.908 1.00 0.00 H new ATOM 0 HA TYR A 38 1.951 -2.314 -6.444 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.427 -0.157 -8.536 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.950 0.032 -6.874 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.512 -1.759 -5.892 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.814 -1.342 -10.115 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.642 -2.949 -6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.983 -2.461 -10.583 1.00 0.00 H new ATOM 0 HH TYR A 38 7.754 -3.499 -9.735 1.00 0.00 H new ATOM 567 N TYR A 39 0.308 -0.913 -5.212 1.00 0.00 N ATOM 568 CA TYR A 39 -0.626 -0.092 -4.439 1.00 0.00 C ATOM 569 C TYR A 39 -0.113 1.350 -4.358 1.00 0.00 C ATOM 570 O TYR A 39 0.942 1.600 -3.770 1.00 0.00 O ATOM 571 CB TYR A 39 -0.813 -0.675 -3.027 1.00 0.00 C ATOM 572 CG TYR A 39 -1.270 -2.120 -2.967 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.334 -2.565 -3.776 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.620 -3.027 -2.109 1.00 0.00 C ATOM 575 CE1 TYR A 39 -2.734 -3.914 -3.745 1.00 0.00 C ATOM 576 CE2 TYR A 39 -1.031 -4.373 -2.060 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.099 -4.820 -2.869 1.00 0.00 C ATOM 578 OH TYR A 39 -2.491 -6.124 -2.842 1.00 0.00 O ATOM 0 H TYR A 39 0.798 -1.614 -4.656 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.593 -0.093 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.132 -0.590 -2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.539 -0.061 -2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.845 -1.868 -4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.196 -2.690 -1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.528 -4.256 -4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.528 -5.066 -1.402 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.953 -6.614 -2.186 1.00 0.00 H new ATOM 588 N GLN A 40 -0.823 2.295 -4.982 1.00 0.00 N ATOM 589 CA GLN A 40 -0.514 3.723 -4.900 1.00 0.00 C ATOM 590 C GLN A 40 -0.909 4.224 -3.502 1.00 0.00 C ATOM 591 O GLN A 40 -2.091 4.407 -3.214 1.00 0.00 O ATOM 592 CB GLN A 40 -1.282 4.475 -6.009 1.00 0.00 C ATOM 593 CG GLN A 40 -0.962 5.980 -6.028 1.00 0.00 C ATOM 594 CD GLN A 40 -1.761 6.717 -7.103 1.00 0.00 C ATOM 595 OE1 GLN A 40 -1.601 6.499 -8.297 1.00 0.00 O ATOM 596 NE2 GLN A 40 -2.643 7.621 -6.734 1.00 0.00 N ATOM 0 H GLN A 40 -1.635 2.087 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 40 0.551 3.903 -5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.033 4.041 -6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.353 4.336 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.183 6.411 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.104 6.123 -6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.790 7.816 -5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.180 8.127 -7.438 1.00 0.00 H new ATOM 605 N VAL A 41 0.061 4.414 -2.608 1.00 0.00 N ATOM 606 CA VAL A 41 -0.175 4.988 -1.271 1.00 0.00 C ATOM 607 C VAL A 41 -0.116 6.520 -1.345 1.00 0.00 C ATOM 608 O VAL A 41 0.646 7.071 -2.132 1.00 0.00 O ATOM 609 CB VAL A 41 0.850 4.463 -0.247 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.438 4.846 1.182 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.969 2.932 -0.284 1.00 0.00 C ATOM 0 H VAL A 41 1.037 4.176 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.166 4.680 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 41 1.804 4.916 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.176 4.465 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.382 5.931 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.537 4.414 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.702 2.606 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.001 2.486 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.288 2.616 -1.277 1.00 0.00 H new ATOM 621 N ASP A 42 -0.884 7.216 -0.514 1.00 0.00 N ATOM 622 CA ASP A 42 -0.893 8.675 -0.362 1.00 0.00 C ATOM 623 C ASP A 42 -0.793 9.040 1.132 1.00 0.00 C ATOM 624 O ASP A 42 -1.371 8.361 1.988 1.00 0.00 O ATOM 625 CB ASP A 42 -2.169 9.253 -1.011 1.00 0.00 C ATOM 626 CG ASP A 42 -1.848 10.168 -2.203 1.00 0.00 C ATOM 627 OD1 ASP A 42 -1.518 11.356 -1.972 1.00 0.00 O ATOM 628 OD2 ASP A 42 -1.958 9.716 -3.369 1.00 0.00 O ATOM 0 H ASP A 42 -1.553 6.759 0.106 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.033 9.112 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.808 8.435 -1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.732 9.814 -0.265 1.00 0.00 H new ATOM 633 N PHE A 43 -0.063 10.115 1.446 1.00 0.00 N ATOM 634 CA PHE A 43 0.186 10.599 2.812 1.00 0.00 C ATOM 635 C PHE A 43 -0.190 12.088 2.933 1.00 0.00 C ATOM 636 O PHE A 43 0.020 12.840 1.974 1.00 0.00 O ATOM 637 CB PHE A 43 1.668 10.398 3.195 1.00 0.00 C ATOM 638 CG PHE A 43 2.287 9.099 2.717 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.139 7.920 3.465 1.00 0.00 C ATOM 640 CD2 PHE A 43 2.983 9.061 1.497 1.00 0.00 C ATOM 641 CE1 PHE A 43 2.654 6.708 2.983 1.00 0.00 C ATOM 642 CE2 PHE A 43 3.510 7.854 1.012 1.00 0.00 C ATOM 643 CZ PHE A 43 3.337 6.673 1.752 1.00 0.00 C ATOM 0 H PHE A 43 0.386 10.692 0.735 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.435 10.022 3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.247 11.228 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.756 10.446 4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.627 7.947 4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.114 9.969 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.527 5.801 3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.046 7.834 0.075 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.728 5.738 1.377 1.00 0.00 H new ATOM 653 N PRO A 44 -0.707 12.557 4.085 1.00 0.00 N ATOM 654 CA PRO A 44 -1.040 13.970 4.278 1.00 0.00 C ATOM 655 C PRO A 44 0.214 14.864 4.346 1.00 0.00 C ATOM 656 O PRO A 44 1.332 14.399 4.581 1.00 0.00 O ATOM 657 CB PRO A 44 -1.862 14.012 5.571 1.00 0.00 C ATOM 658 CG PRO A 44 -1.343 12.813 6.363 1.00 0.00 C ATOM 659 CD PRO A 44 -1.032 11.785 5.276 1.00 0.00 C ATOM 0 HA PRO A 44 -1.603 14.369 3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.711 14.946 6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.930 13.929 5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.456 13.067 6.943 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.088 12.442 7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.198 11.146 5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.887 11.132 5.098 1.00 0.00 H new ATOM 667 N GLY A 45 0.022 16.170 4.137 1.00 0.00 N ATOM 668 CA GLY A 45 1.076 17.198 4.154 1.00 0.00 C ATOM 669 C GLY A 45 1.914 17.310 2.869 1.00 0.00 C ATOM 670 O GLY A 45 2.662 18.278 2.716 1.00 0.00 O ATOM 0 H GLY A 45 -0.902 16.557 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.613 18.165 4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.747 16.991 4.988 1.00 0.00 H new ATOM 674 N SER A 46 1.801 16.353 1.940 1.00 0.00 N ATOM 675 CA SER A 46 2.491 16.337 0.640 1.00 0.00 C ATOM 676 C SER A 46 1.730 15.502 -0.410 1.00 0.00 C ATOM 677 O SER A 46 0.598 15.070 -0.176 1.00 0.00 O ATOM 678 CB SER A 46 3.918 15.794 0.830 1.00 0.00 C ATOM 679 OG SER A 46 4.754 16.254 -0.221 1.00 0.00 O ATOM 0 H SER A 46 1.205 15.537 2.076 1.00 0.00 H new ATOM 0 HA SER A 46 2.531 17.359 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.315 16.120 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.903 14.704 0.844 1.00 0.00 H new ATOM 0 HG SER A 46 5.661 15.906 -0.093 1.00 0.00 H new ATOM 685 N ARG A 47 2.348 15.282 -1.579 1.00 0.00 N ATOM 686 CA ARG A 47 1.864 14.431 -2.688 1.00 0.00 C ATOM 687 C ARG A 47 2.710 13.167 -2.899 1.00 0.00 C ATOM 688 O ARG A 47 2.464 12.415 -3.846 1.00 0.00 O ATOM 689 CB ARG A 47 1.731 15.261 -3.982 1.00 0.00 C ATOM 690 CG ARG A 47 0.257 15.552 -4.293 1.00 0.00 C ATOM 691 CD ARG A 47 0.101 16.265 -5.646 1.00 0.00 C ATOM 692 NE ARG A 47 -1.034 15.731 -6.427 1.00 0.00 N ATOM 693 CZ ARG A 47 -2.328 15.869 -6.198 1.00 0.00 C ATOM 694 NH1 ARG A 47 -2.786 16.564 -5.194 1.00 0.00 N ATOM 695 NH2 ARG A 47 -3.197 15.298 -6.981 1.00 0.00 N ATOM 0 H ARG A 47 3.247 15.713 -1.793 1.00 0.00 H new ATOM 0 HA ARG A 47 0.875 14.069 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.277 16.198 -3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.183 14.721 -4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.305 14.618 -4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.168 16.170 -3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.045 17.332 -5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.020 16.155 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.786 15.184 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.138 17.023 -4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.792 16.648 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.880 14.742 -7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.195 15.407 -6.801 1.00 0.00 H new ATOM 709 N SER A 48 3.694 12.922 -2.029 1.00 0.00 N ATOM 710 CA SER A 48 4.517 11.708 -2.036 1.00 0.00 C ATOM 711 C SER A 48 3.660 10.441 -2.062 1.00 0.00 C ATOM 712 O SER A 48 2.595 10.370 -1.441 1.00 0.00 O ATOM 713 CB SER A 48 5.452 11.670 -0.822 1.00 0.00 C ATOM 714 OG SER A 48 6.390 12.731 -0.905 1.00 0.00 O ATOM 0 H SER A 48 3.946 13.574 -1.286 1.00 0.00 H new ATOM 0 HA SER A 48 5.114 11.738 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.873 11.755 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.973 10.714 -0.783 1.00 0.00 H new ATOM 0 HG SER A 48 6.984 12.704 -0.126 1.00 0.00 H new ATOM 720 N LYS A 49 4.153 9.432 -2.782 1.00 0.00 N ATOM 721 CA LYS A 49 3.543 8.110 -2.921 1.00 0.00 C ATOM 722 C LYS A 49 4.605 7.021 -2.928 1.00 0.00 C ATOM 723 O LYS A 49 5.698 7.206 -3.468 1.00 0.00 O ATOM 724 CB LYS A 49 2.641 8.052 -4.170 1.00 0.00 C ATOM 725 CG LYS A 49 3.298 8.513 -5.479 1.00 0.00 C ATOM 726 CD LYS A 49 2.319 8.327 -6.647 1.00 0.00 C ATOM 727 CE LYS A 49 2.725 9.106 -7.905 1.00 0.00 C ATOM 728 NZ LYS A 49 2.626 10.578 -7.710 1.00 0.00 N ATOM 0 H LYS A 49 5.024 9.518 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 49 2.905 7.929 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.294 7.027 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.759 8.667 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.590 9.560 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.208 7.941 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.251 7.267 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.325 8.647 -6.334 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.748 8.845 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.087 8.808 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.710 11.056 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.708 10.810 -7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.392 10.897 -7.083 1.00 0.00 H new ATOM 742 N ALA A 50 4.264 5.886 -2.332 1.00 0.00 N ATOM 743 CA ALA A 50 5.111 4.704 -2.251 1.00 0.00 C ATOM 744 C ALA A 50 4.424 3.537 -2.971 1.00 0.00 C ATOM 745 O ALA A 50 3.328 3.134 -2.588 1.00 0.00 O ATOM 746 CB ALA A 50 5.364 4.394 -0.777 1.00 0.00 C ATOM 0 H ALA A 50 3.360 5.759 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 50 6.071 4.873 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.997 3.511 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.861 5.242 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.414 4.207 -0.276 1.00 0.00 H new ATOM 752 N TYR A 51 5.037 3.018 -4.031 1.00 0.00 N ATOM 753 CA TYR A 51 4.504 1.900 -4.811 1.00 0.00 C ATOM 754 C TYR A 51 4.796 0.554 -4.128 1.00 0.00 C ATOM 755 O TYR A 51 5.910 0.031 -4.216 1.00 0.00 O ATOM 756 CB TYR A 51 5.120 1.954 -6.219 1.00 0.00 C ATOM 757 CG TYR A 51 4.700 3.157 -7.042 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.368 3.282 -7.481 1.00 0.00 C ATOM 759 CD2 TYR A 51 5.647 4.146 -7.372 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.985 4.386 -8.268 1.00 0.00 C ATOM 761 CE2 TYR A 51 5.265 5.255 -8.148 1.00 0.00 C ATOM 762 CZ TYR A 51 3.938 5.370 -8.614 1.00 0.00 C ATOM 763 OH TYR A 51 3.587 6.421 -9.402 1.00 0.00 O ATOM 0 H TYR A 51 5.931 3.366 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 51 3.420 1.987 -4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.206 1.953 -6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.845 1.047 -6.757 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.639 2.531 -7.214 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.667 4.053 -7.029 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.964 4.480 -8.607 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.989 6.020 -8.388 1.00 0.00 H new ATOM 0 HH TYR A 51 4.365 7.001 -9.539 1.00 0.00 H new ATOM 773 N VAL A 52 3.809 -0.011 -3.425 1.00 0.00 N ATOM 774 CA VAL A 52 3.968 -1.279 -2.683 1.00 0.00 C ATOM 775 C VAL A 52 3.626 -2.487 -3.571 1.00 0.00 C ATOM 776 O VAL A 52 2.533 -2.504 -4.143 1.00 0.00 O ATOM 777 CB VAL A 52 3.099 -1.297 -1.417 1.00 0.00 C ATOM 778 CG1 VAL A 52 3.214 -2.646 -0.692 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.494 -0.146 -0.471 1.00 0.00 C ATOM 0 H VAL A 52 2.875 0.393 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 52 5.014 -1.350 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 52 2.061 -1.158 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.589 -2.633 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.883 -3.445 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.252 -2.818 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.867 -0.176 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.540 -0.255 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.355 0.808 -0.980 1.00 0.00 H new ATOM 789 N PRO A 53 4.509 -3.499 -3.697 1.00 0.00 N ATOM 790 CA PRO A 53 4.272 -4.676 -4.536 1.00 0.00 C ATOM 791 C PRO A 53 3.124 -5.542 -4.002 1.00 0.00 C ATOM 792 O PRO A 53 3.087 -5.876 -2.818 1.00 0.00 O ATOM 793 CB PRO A 53 5.593 -5.457 -4.529 1.00 0.00 C ATOM 794 CG PRO A 53 6.234 -5.062 -3.200 1.00 0.00 C ATOM 795 CD PRO A 53 5.806 -3.608 -3.038 1.00 0.00 C ATOM 0 HA PRO A 53 3.974 -4.382 -5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.424 -6.532 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.224 -5.186 -5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.877 -5.683 -2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.319 -5.164 -3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.733 -3.337 -1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.533 -2.934 -3.491 1.00 0.00 H new ATOM 803 N VAL A 54 2.215 -5.965 -4.883 1.00 0.00 N ATOM 804 CA VAL A 54 1.103 -6.868 -4.519 1.00 0.00 C ATOM 805 C VAL A 54 1.540 -8.297 -4.161 1.00 0.00 C ATOM 806 O VAL A 54 0.822 -8.993 -3.443 1.00 0.00 O ATOM 807 CB VAL A 54 0.036 -6.926 -5.627 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.585 -5.547 -5.883 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.582 -7.458 -6.957 1.00 0.00 C ATOM 0 H VAL A 54 2.222 -5.697 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 54 0.680 -6.429 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.721 -7.618 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.334 -5.626 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.056 -5.185 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.193 -4.849 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.217 -7.475 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.386 -6.810 -7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.966 -8.468 -6.815 1.00 0.00 H new ATOM 819 N GLU A 55 2.703 -8.751 -4.642 1.00 0.00 N ATOM 820 CA GLU A 55 3.215 -10.114 -4.404 1.00 0.00 C ATOM 821 C GLU A 55 3.748 -10.297 -2.977 1.00 0.00 C ATOM 822 O GLU A 55 3.426 -11.281 -2.308 1.00 0.00 O ATOM 823 CB GLU A 55 4.331 -10.464 -5.401 1.00 0.00 C ATOM 824 CG GLU A 55 3.863 -10.382 -6.856 1.00 0.00 C ATOM 825 CD GLU A 55 4.846 -11.109 -7.793 1.00 0.00 C ATOM 826 OE1 GLU A 55 5.944 -10.567 -8.069 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.529 -12.231 -8.260 1.00 0.00 O ATOM 0 H GLU A 55 3.325 -8.180 -5.214 1.00 0.00 H new ATOM 0 HA GLU A 55 2.368 -10.786 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.171 -9.785 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.695 -11.471 -5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.871 -10.825 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.775 -9.338 -7.155 1.00 0.00 H new ATOM 834 N ALA A 56 4.562 -9.340 -2.516 1.00 0.00 N ATOM 835 CA ALA A 56 5.132 -9.318 -1.168 1.00 0.00 C ATOM 836 C ALA A 56 4.989 -7.922 -0.519 1.00 0.00 C ATOM 837 O ALA A 56 5.992 -7.244 -0.271 1.00 0.00 O ATOM 838 CB ALA A 56 6.586 -9.814 -1.266 1.00 0.00 C ATOM 0 H ALA A 56 4.848 -8.543 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 56 4.586 -9.986 -0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.040 -9.809 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.598 -10.828 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.151 -9.156 -1.927 1.00 0.00 H new ATOM 844 N PRO A 57 3.761 -7.507 -0.144 1.00 0.00 N ATOM 845 CA PRO A 57 3.514 -6.183 0.437 1.00 0.00 C ATOM 846 C PRO A 57 4.113 -6.052 1.845 1.00 0.00 C ATOM 847 O PRO A 57 4.475 -4.959 2.275 1.00 0.00 O ATOM 848 CB PRO A 57 1.992 -6.014 0.416 1.00 0.00 C ATOM 849 CG PRO A 57 1.465 -7.446 0.487 1.00 0.00 C ATOM 850 CD PRO A 57 2.506 -8.227 -0.314 1.00 0.00 C ATOM 0 HA PRO A 57 4.002 -5.391 -0.131 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.644 -5.418 1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.658 -5.509 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.395 -7.801 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.470 -7.533 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.591 -9.251 0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.227 -8.284 -1.366 1.00 0.00 H new ATOM 858 N HIS A 58 4.282 -7.172 2.557 1.00 0.00 N ATOM 859 CA HIS A 58 4.937 -7.224 3.870 1.00 0.00 C ATOM 860 C HIS A 58 6.460 -7.019 3.781 1.00 0.00 C ATOM 861 O HIS A 58 7.076 -6.628 4.771 1.00 0.00 O ATOM 862 CB HIS A 58 4.594 -8.564 4.550 1.00 0.00 C ATOM 863 CG HIS A 58 5.011 -9.788 3.763 1.00 0.00 C ATOM 864 ND1 HIS A 58 6.298 -10.286 3.647 1.00 0.00 N ATOM 865 CD2 HIS A 58 4.174 -10.596 3.042 1.00 0.00 C ATOM 866 CE1 HIS A 58 6.245 -11.372 2.847 1.00 0.00 C ATOM 867 NE2 HIS A 58 4.964 -11.581 2.472 1.00 0.00 N ATOM 0 H HIS A 58 3.962 -8.084 2.231 1.00 0.00 H new ATOM 0 HA HIS A 58 4.559 -6.398 4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.074 -8.595 5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.518 -8.606 4.721 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.105 -10.487 2.938 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.091 -11.977 2.554 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.634 -12.336 1.871 1.00 0.00 H new ATOM 876 N SER A 59 7.084 -7.259 2.619 1.00 0.00 N ATOM 877 CA SER A 59 8.548 -7.210 2.426 1.00 0.00 C ATOM 878 C SER A 59 9.119 -5.802 2.642 1.00 0.00 C ATOM 879 O SER A 59 10.190 -5.638 3.229 1.00 0.00 O ATOM 880 CB SER A 59 8.920 -7.719 1.027 1.00 0.00 C ATOM 881 OG SER A 59 10.190 -8.347 1.055 1.00 0.00 O ATOM 0 H SER A 59 6.578 -7.498 1.766 1.00 0.00 H new ATOM 0 HA SER A 59 8.991 -7.861 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.166 -8.423 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.933 -6.888 0.322 1.00 0.00 H new ATOM 0 HG SER A 59 10.416 -8.669 0.157 1.00 0.00 H new ATOM 887 N VAL A 60 8.372 -4.773 2.218 1.00 0.00 N ATOM 888 CA VAL A 60 8.702 -3.348 2.431 1.00 0.00 C ATOM 889 C VAL A 60 8.451 -2.882 3.881 1.00 0.00 C ATOM 890 O VAL A 60 8.850 -1.777 4.251 1.00 0.00 O ATOM 891 CB VAL A 60 7.913 -2.437 1.466 1.00 0.00 C ATOM 892 CG1 VAL A 60 8.267 -2.695 -0.004 1.00 0.00 C ATOM 893 CG2 VAL A 60 6.395 -2.580 1.608 1.00 0.00 C ATOM 0 H VAL A 60 7.500 -4.906 1.705 1.00 0.00 H new ATOM 0 HA VAL A 60 9.770 -3.262 2.228 1.00 0.00 H new ATOM 0 HB VAL A 60 8.209 -1.427 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.685 -2.029 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.330 -2.510 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.038 -3.730 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.899 -1.913 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.105 -3.610 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.098 -2.319 2.624 1.00 0.00 H new ATOM 903 N GLY A 61 7.780 -3.700 4.704 1.00 0.00 N ATOM 904 CA GLY A 61 7.361 -3.388 6.077 1.00 0.00 C ATOM 905 C GLY A 61 5.933 -2.835 6.221 1.00 0.00 C ATOM 906 O GLY A 61 5.584 -2.353 7.300 1.00 0.00 O ATOM 0 H GLY A 61 7.502 -4.639 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.444 -4.293 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.058 -2.662 6.495 1.00 0.00 H new ATOM 910 N LEU A 62 5.100 -2.880 5.169 1.00 0.00 N ATOM 911 CA LEU A 62 3.703 -2.423 5.212 1.00 0.00 C ATOM 912 C LEU A 62 2.874 -3.324 6.153 1.00 0.00 C ATOM 913 O LEU A 62 2.815 -4.542 5.962 1.00 0.00 O ATOM 914 CB LEU A 62 3.103 -2.394 3.782 1.00 0.00 C ATOM 915 CG LEU A 62 2.047 -1.295 3.527 1.00 0.00 C ATOM 916 CD1 LEU A 62 1.322 -1.499 2.196 1.00 0.00 C ATOM 917 CD2 LEU A 62 0.987 -1.203 4.608 1.00 0.00 C ATOM 0 H LEU A 62 5.381 -3.238 4.256 1.00 0.00 H new ATOM 0 HA LEU A 62 3.672 -1.408 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.916 -2.265 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.650 -3.364 3.577 1.00 0.00 H new ATOM 0 HG LEU A 62 2.624 -0.371 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.588 -0.705 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.045 -1.474 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.815 -2.464 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.282 -0.410 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.456 -2.152 4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.461 -0.981 5.564 1.00 0.00 H new ATOM 929 N ARG A 63 2.227 -2.731 7.164 1.00 0.00 N ATOM 930 CA ARG A 63 1.305 -3.395 8.107 1.00 0.00 C ATOM 931 C ARG A 63 -0.022 -2.636 8.227 1.00 0.00 C ATOM 932 O ARG A 63 -0.101 -1.446 7.921 1.00 0.00 O ATOM 933 CB ARG A 63 1.963 -3.519 9.502 1.00 0.00 C ATOM 934 CG ARG A 63 2.790 -4.798 9.682 1.00 0.00 C ATOM 935 CD ARG A 63 3.180 -5.002 11.160 1.00 0.00 C ATOM 936 NE ARG A 63 4.636 -4.902 11.390 1.00 0.00 N ATOM 937 CZ ARG A 63 5.549 -5.831 11.172 1.00 0.00 C ATOM 938 NH1 ARG A 63 5.249 -6.985 10.641 1.00 0.00 N ATOM 939 NH2 ARG A 63 6.795 -5.621 11.484 1.00 0.00 N ATOM 0 H ARG A 63 2.333 -1.735 7.359 1.00 0.00 H new ATOM 0 HA ARG A 63 1.093 -4.390 7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.606 -2.655 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.185 -3.490 10.265 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.218 -5.657 9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.690 -4.742 9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.669 -4.258 11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.831 -5.980 11.491 1.00 0.00 H new ATOM 0 HE ARG A 63 4.975 -4.014 11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.285 -7.191 10.381 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.979 -7.680 10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.074 -4.733 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.493 -6.345 11.312 1.00 0.00 H new ATOM 953 N LYS A 64 -1.073 -3.322 8.687 1.00 0.00 N ATOM 954 CA LYS A 64 -2.387 -2.716 8.956 1.00 0.00 C ATOM 955 C LYS A 64 -2.319 -1.943 10.279 1.00 0.00 C ATOM 956 O LYS A 64 -1.825 -2.471 11.279 1.00 0.00 O ATOM 957 CB LYS A 64 -3.494 -3.789 9.034 1.00 0.00 C ATOM 958 CG LYS A 64 -4.198 -3.957 7.681 1.00 0.00 C ATOM 959 CD LYS A 64 -5.487 -4.781 7.795 1.00 0.00 C ATOM 960 CE LYS A 64 -6.333 -4.569 6.534 1.00 0.00 C ATOM 961 NZ LYS A 64 -7.688 -5.161 6.669 1.00 0.00 N ATOM 0 H LYS A 64 -1.039 -4.322 8.886 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.634 -2.040 8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.061 -4.741 9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.223 -3.509 9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.432 -2.975 7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.520 -4.442 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.248 -5.838 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.049 -4.480 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.422 -3.502 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.826 -5.014 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.228 -4.996 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.605 -6.184 6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.182 -4.718 7.470 1.00 0.00 H new ATOM 975 N ALA A 65 -2.780 -0.692 10.283 1.00 0.00 N ATOM 976 CA ALA A 65 -2.867 0.111 11.500 1.00 0.00 C ATOM 977 C ALA A 65 -4.046 -0.381 12.372 1.00 0.00 C ATOM 978 O ALA A 65 -4.903 -1.150 11.923 1.00 0.00 O ATOM 979 CB ALA A 65 -3.011 1.598 11.136 1.00 0.00 C ATOM 0 H ALA A 65 -3.102 -0.209 9.444 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.952 -0.003 12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.075 2.191 12.048 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.144 1.916 10.556 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.915 1.742 10.545 1.00 0.00 H new ATOM 985 N LEU A 66 -4.105 0.081 13.622 1.00 0.00 N ATOM 986 CA LEU A 66 -5.163 -0.250 14.580 1.00 0.00 C ATOM 987 C LEU A 66 -5.381 0.929 15.539 1.00 0.00 C ATOM 988 O LEU A 66 -4.414 1.509 16.043 1.00 0.00 O ATOM 989 CB LEU A 66 -4.744 -1.529 15.331 1.00 0.00 C ATOM 990 CG LEU A 66 -5.864 -2.181 16.163 1.00 0.00 C ATOM 991 CD1 LEU A 66 -6.911 -2.856 15.271 1.00 0.00 C ATOM 992 CD2 LEU A 66 -5.256 -3.232 17.091 1.00 0.00 C ATOM 0 H LEU A 66 -3.401 0.711 14.006 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.110 -0.432 14.071 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.378 -2.256 14.606 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.911 -1.290 15.992 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.356 -1.396 16.737 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.685 -3.305 15.894 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.361 -2.113 14.612 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.433 -3.631 14.672 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.046 -3.696 17.682 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.752 -3.994 16.497 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.536 -2.756 17.757 1.00 0.00 H new ATOM 1004 N ALA A 67 -6.640 1.297 15.788 1.00 0.00 N ATOM 1005 CA ALA A 67 -6.990 2.342 16.754 1.00 0.00 C ATOM 1006 C ALA A 67 -6.622 1.929 18.206 1.00 0.00 C ATOM 1007 O ALA A 67 -6.490 0.729 18.488 1.00 0.00 O ATOM 1008 CB ALA A 67 -8.488 2.653 16.600 1.00 0.00 C ATOM 0 H ALA A 67 -7.447 0.878 15.325 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.412 3.243 16.551 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.773 3.429 17.310 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.685 2.999 15.585 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.069 1.752 16.796 1.00 0.00 H new ATOM 1014 N PRO A 68 -6.480 2.881 19.150 1.00 0.00 N ATOM 1015 CA PRO A 68 -6.192 2.579 20.554 1.00 0.00 C ATOM 1016 C PRO A 68 -7.391 1.943 21.289 1.00 0.00 C ATOM 1017 O PRO A 68 -8.512 1.887 20.777 1.00 0.00 O ATOM 1018 CB PRO A 68 -5.788 3.921 21.173 1.00 0.00 C ATOM 1019 CG PRO A 68 -6.570 4.938 20.344 1.00 0.00 C ATOM 1020 CD PRO A 68 -6.547 4.322 18.947 1.00 0.00 C ATOM 0 HA PRO A 68 -5.402 1.833 20.641 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.053 3.973 22.229 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.713 4.088 21.106 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.587 5.065 20.714 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.100 5.921 20.361 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.439 4.597 18.384 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.688 4.677 18.377 1.00 0.00 H new ATOM 1028 N GLU A 69 -7.151 1.480 22.518 1.00 0.00 N ATOM 1029 CA GLU A 69 -8.128 0.794 23.384 1.00 0.00 C ATOM 1030 C GLU A 69 -8.089 1.257 24.863 1.00 0.00 C ATOM 1031 O GLU A 69 -8.543 0.538 25.758 1.00 0.00 O ATOM 1032 CB GLU A 69 -8.000 -0.733 23.219 1.00 0.00 C ATOM 1033 CG GLU A 69 -6.604 -1.287 23.544 1.00 0.00 C ATOM 1034 CD GLU A 69 -6.630 -2.816 23.755 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -7.134 -3.558 22.876 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -6.128 -3.296 24.803 1.00 0.00 O ATOM 0 H GLU A 69 -6.236 1.574 22.960 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.123 1.087 23.049 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.731 -1.219 23.865 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.254 -0.999 22.193 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.918 -1.043 22.733 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.220 -0.802 24.442 1.00 0.00 H new ATOM 1043 N GLU A 70 -7.538 2.451 25.138 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.516 3.086 26.478 1.00 0.00 C ATOM 1045 C GLU A 70 -8.925 3.272 27.098 1.00 0.00 C ATOM 1046 O GLU A 70 -9.884 3.618 26.367 1.00 0.00 O ATOM 1047 CB GLU A 70 -6.785 4.444 26.437 1.00 0.00 C ATOM 1048 CG GLU A 70 -5.274 4.369 26.724 1.00 0.00 C ATOM 1049 CD GLU A 70 -4.410 3.993 25.497 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -4.449 4.716 24.469 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -3.636 3.005 25.569 1.00 0.00 O ATOM 1052 OXT GLU A 70 -9.048 3.097 28.333 1.00 0.00 O ATOM 0 H GLU A 70 -7.084 3.019 24.423 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.972 2.394 27.120 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.933 4.891 25.454 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.247 5.112 27.164 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.941 5.334 27.106 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.102 3.637 27.513 1.00 0.00 H new TER 1059 GLU A 70