USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 699 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 Set 1.1: A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 THR OG1 : rot 29:sc= -0.704! USER MOD Set 2.2: A 31 MET CE :methyl -130:sc= -1.63 (180deg=-3.86!) USER MOD Single : A 1 MET CE :methyl -158:sc= -1.28 (180deg=-2.95!) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0 (180deg=-0.179) USER MOD Single : A 9 LYS NZ :NH3+ -145:sc= 0.811 (180deg=0.127) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.325 X(o=-0.32,f=0.13) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.24) USER MOD Single : A 39 SER OG : rot 180:sc= -0.583! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.38 K(o=-0.38,f=-3.3!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.209 X(o=0.21,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=0) USER MOD Single : A 65 SER OG : rot 106:sc= 0.323 USER MOD Single : A 67 THR OG1 : rot 150:sc= -1.79! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl -138:sc= -1.93 (180deg=-4.98!) USER MOD Single : A 78 LYS NZ :NH3+ -111:sc= 0.493 (180deg=-0.0229) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.336 -20.033 9.112 1.00 0.00 N ATOM 2 CA MET A 1 -4.395 -19.083 8.816 1.00 0.00 C ATOM 3 C MET A 1 -3.862 -17.904 8.001 1.00 0.00 C ATOM 4 O MET A 1 -3.913 -16.760 8.451 1.00 0.00 O ATOM 5 CB MET A 1 -4.999 -18.569 10.124 1.00 0.00 C ATOM 6 CG MET A 1 -3.932 -17.907 10.998 1.00 0.00 C ATOM 7 SD MET A 1 -4.621 -16.488 11.834 1.00 0.00 S ATOM 8 CE MET A 1 -4.076 -15.188 10.740 1.00 0.00 C ATOM 0 H1 MET A 1 -3.643 -20.669 9.876 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.123 -20.592 8.261 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.483 -19.519 9.411 1.00 0.00 H new ATOM 0 HA MET A 1 -5.159 -19.591 8.227 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.791 -17.853 9.906 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.457 -19.396 10.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.554 -18.622 11.729 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.085 -17.602 10.384 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.066 -14.240 11.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.072 -15.412 10.381 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.757 -15.117 9.892 1.00 0.00 H new ATOM 18 N MET A 2 -3.363 -18.222 6.816 1.00 0.00 N ATOM 19 CA MET A 2 -2.820 -17.203 5.933 1.00 0.00 C ATOM 20 C MET A 2 -2.984 -17.604 4.466 1.00 0.00 C ATOM 21 O MET A 2 -2.206 -18.403 3.946 1.00 0.00 O ATOM 22 CB MET A 2 -1.336 -16.996 6.244 1.00 0.00 C ATOM 23 CG MET A 2 -0.916 -15.551 5.971 1.00 0.00 C ATOM 24 SD MET A 2 0.163 -14.973 7.270 1.00 0.00 S ATOM 25 CE MET A 2 0.998 -13.648 6.414 1.00 0.00 C ATOM 0 H MET A 2 -3.323 -19.172 6.446 1.00 0.00 H new ATOM 0 HA MET A 2 -3.368 -16.275 6.099 1.00 0.00 H new ATOM 0 HB2 MET A 2 -1.141 -17.244 7.287 1.00 0.00 H new ATOM 0 HB3 MET A 2 -0.735 -17.674 5.637 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.407 -15.487 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 2 -1.798 -14.913 5.908 1.00 0.00 H new ATOM 0 HE1 MET A 2 1.714 -13.175 7.086 1.00 0.00 H new ATOM 0 HE2 MET A 2 1.524 -14.049 5.548 1.00 0.00 H new ATOM 0 HE3 MET A 2 0.267 -12.910 6.085 1.00 0.00 H new ATOM 35 N VAL A 3 -4.002 -17.032 3.839 1.00 0.00 N ATOM 36 CA VAL A 3 -4.278 -17.320 2.442 1.00 0.00 C ATOM 37 C VAL A 3 -3.830 -16.135 1.584 1.00 0.00 C ATOM 38 O VAL A 3 -3.623 -15.036 2.096 1.00 0.00 O ATOM 39 CB VAL A 3 -5.757 -17.664 2.261 1.00 0.00 C ATOM 40 CG1 VAL A 3 -6.036 -18.156 0.840 1.00 0.00 C ATOM 41 CG2 VAL A 3 -6.211 -18.695 3.297 1.00 0.00 C ATOM 0 H VAL A 3 -4.646 -16.370 4.273 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.713 -18.192 2.113 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.334 -16.753 2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.095 -18.394 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.769 -17.377 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.443 -19.049 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.266 -18.922 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.624 -19.607 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.066 -18.292 4.299 1.00 0.00 H new ATOM 51 N PHE A 4 -3.695 -16.399 0.293 1.00 0.00 N ATOM 52 CA PHE A 4 -3.276 -15.368 -0.642 1.00 0.00 C ATOM 53 C PHE A 4 -3.102 -15.941 -2.049 1.00 0.00 C ATOM 54 O PHE A 4 -2.142 -16.662 -2.316 1.00 0.00 O ATOM 55 CB PHE A 4 -1.927 -14.839 -0.149 1.00 0.00 C ATOM 56 CG PHE A 4 -1.011 -14.335 -1.266 1.00 0.00 C ATOM 57 CD1 PHE A 4 -1.533 -13.644 -2.314 1.00 0.00 C ATOM 58 CD2 PHE A 4 0.326 -14.579 -1.211 1.00 0.00 C ATOM 59 CE1 PHE A 4 -0.683 -13.176 -3.351 1.00 0.00 C ATOM 60 CE2 PHE A 4 1.177 -14.112 -2.247 1.00 0.00 C ATOM 61 CZ PHE A 4 0.654 -13.420 -3.296 1.00 0.00 C ATOM 0 H PHE A 4 -3.868 -17.312 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.029 -14.581 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.103 -14.027 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.415 -15.631 0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.595 -13.451 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.740 -15.128 -0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.098 -12.627 -4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.239 -14.306 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.301 -13.065 -4.085 1.00 0.00 H new ATOM 71 N ASP A 5 -4.046 -15.600 -2.914 1.00 0.00 N ATOM 72 CA ASP A 5 -4.010 -16.072 -4.288 1.00 0.00 C ATOM 73 C ASP A 5 -4.220 -14.889 -5.235 1.00 0.00 C ATOM 74 O ASP A 5 -4.407 -13.758 -4.789 1.00 0.00 O ATOM 75 CB ASP A 5 -5.121 -17.090 -4.550 1.00 0.00 C ATOM 76 CG ASP A 5 -5.261 -18.182 -3.487 1.00 0.00 C ATOM 77 OD1 ASP A 5 -6.062 -18.060 -2.548 1.00 0.00 O ATOM 78 OD2 ASP A 5 -4.495 -19.206 -3.653 1.00 0.00 O ATOM 0 H ASP A 5 -4.841 -15.002 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.042 -16.543 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.069 -16.558 -4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.939 -17.564 -5.515 1.00 0.00 H new ATOM 84 N ASP A 6 -4.182 -15.190 -6.524 1.00 0.00 N ATOM 85 CA ASP A 6 -4.366 -14.166 -7.538 1.00 0.00 C ATOM 86 C ASP A 6 -5.527 -13.256 -7.132 1.00 0.00 C ATOM 87 O ASP A 6 -5.562 -12.084 -7.506 1.00 0.00 O ATOM 88 CB ASP A 6 -4.704 -14.787 -8.894 1.00 0.00 C ATOM 89 CG ASP A 6 -6.098 -15.411 -8.990 1.00 0.00 C ATOM 90 OD1 ASP A 6 -7.100 -14.802 -8.586 1.00 0.00 O ATOM 91 OD2 ASP A 6 -6.133 -16.590 -9.513 1.00 0.00 O ATOM 0 H ASP A 6 -4.026 -16.129 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.436 -13.603 -7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.613 -14.018 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.963 -15.553 -9.121 1.00 0.00 H new ATOM 97 N ILE A 7 -6.449 -13.829 -6.373 1.00 0.00 N ATOM 98 CA ILE A 7 -7.609 -13.084 -5.913 1.00 0.00 C ATOM 99 C ILE A 7 -7.153 -11.979 -4.957 1.00 0.00 C ATOM 100 O ILE A 7 -7.549 -10.824 -5.104 1.00 0.00 O ATOM 101 CB ILE A 7 -8.648 -14.030 -5.308 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.322 -14.870 -6.395 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.666 -13.260 -4.465 1.00 0.00 C ATOM 104 CD1 ILE A 7 -10.236 -15.932 -5.779 1.00 0.00 C ATOM 0 H ILE A 7 -6.417 -14.801 -6.065 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.106 -12.596 -6.752 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.134 -14.720 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.902 -14.223 -7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.562 -15.352 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.393 -13.956 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.151 -12.743 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.180 -12.531 -5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.703 -16.515 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.648 -16.592 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.009 -15.446 -5.184 1.00 0.00 H new ATOM 116 N ALA A 8 -6.328 -12.373 -3.999 1.00 0.00 N ATOM 117 CA ALA A 8 -5.814 -11.431 -3.019 1.00 0.00 C ATOM 118 C ALA A 8 -5.278 -10.193 -3.741 1.00 0.00 C ATOM 119 O ALA A 8 -5.216 -9.110 -3.161 1.00 0.00 O ATOM 120 CB ALA A 8 -4.746 -12.115 -2.163 1.00 0.00 C ATOM 0 H ALA A 8 -6.002 -13.332 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.608 -11.104 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.361 -11.408 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.185 -12.970 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.931 -12.455 -2.802 1.00 0.00 H new ATOM 126 N LYS A 9 -4.903 -10.395 -4.996 1.00 0.00 N ATOM 127 CA LYS A 9 -4.373 -9.309 -5.803 1.00 0.00 C ATOM 128 C LYS A 9 -5.478 -8.281 -6.054 1.00 0.00 C ATOM 129 O LYS A 9 -5.336 -7.112 -5.700 1.00 0.00 O ATOM 130 CB LYS A 9 -3.737 -9.854 -7.083 1.00 0.00 C ATOM 131 CG LYS A 9 -2.395 -9.173 -7.360 1.00 0.00 C ATOM 132 CD LYS A 9 -1.257 -10.196 -7.390 1.00 0.00 C ATOM 133 CE LYS A 9 -0.745 -10.489 -5.979 1.00 0.00 C ATOM 134 NZ LYS A 9 0.326 -11.509 -6.017 1.00 0.00 N ATOM 0 H LYS A 9 -4.956 -11.295 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.573 -8.794 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.591 -10.930 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.411 -9.694 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.440 -8.646 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.197 -8.426 -6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.605 -11.119 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.441 -9.819 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.367 -9.573 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.566 -10.839 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.262 -12.112 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.217 -12.095 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.253 -11.038 -6.037 1.00 0.00 H new ATOM 147 N ARG A 10 -6.555 -8.755 -6.665 1.00 0.00 N ATOM 148 CA ARG A 10 -7.684 -7.891 -6.968 1.00 0.00 C ATOM 149 C ARG A 10 -8.019 -7.013 -5.761 1.00 0.00 C ATOM 150 O ARG A 10 -8.360 -5.841 -5.918 1.00 0.00 O ATOM 151 CB ARG A 10 -8.917 -8.712 -7.351 1.00 0.00 C ATOM 152 CG ARG A 10 -9.652 -8.077 -8.534 1.00 0.00 C ATOM 153 CD ARG A 10 -11.168 -8.183 -8.358 1.00 0.00 C ATOM 154 NE ARG A 10 -11.618 -9.559 -8.669 1.00 0.00 N ATOM 155 CZ ARG A 10 -11.778 -10.037 -9.922 1.00 0.00 C ATOM 156 NH1 ARG A 10 -11.526 -9.254 -10.992 1.00 0.00 N ATOM 157 NH2 ARG A 10 -12.186 -11.282 -10.084 1.00 0.00 N ATOM 0 H ARG A 10 -6.669 -9.725 -6.958 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.404 -7.261 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.617 -9.728 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.590 -8.785 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.365 -7.029 -8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.354 -8.571 -9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.443 -7.924 -7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.669 -7.471 -9.013 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.820 -10.184 -7.889 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.212 -8.293 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.650 -9.623 -11.935 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.375 -11.867 -9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.312 -11.659 -11.023 1.00 0.00 H new ATOM 170 N LYS A 11 -7.910 -7.612 -4.585 1.00 0.00 N ATOM 171 CA LYS A 11 -8.197 -6.898 -3.352 1.00 0.00 C ATOM 172 C LYS A 11 -7.365 -5.615 -3.304 1.00 0.00 C ATOM 173 O LYS A 11 -7.905 -4.528 -3.109 1.00 0.00 O ATOM 174 CB LYS A 11 -7.989 -7.812 -2.143 1.00 0.00 C ATOM 175 CG LYS A 11 -9.285 -8.535 -1.772 1.00 0.00 C ATOM 176 CD LYS A 11 -10.320 -7.555 -1.215 1.00 0.00 C ATOM 177 CE LYS A 11 -11.483 -8.301 -0.559 1.00 0.00 C ATOM 178 NZ LYS A 11 -12.342 -7.361 0.196 1.00 0.00 N ATOM 0 H LYS A 11 -7.627 -8.584 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.245 -6.599 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.211 -8.543 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.641 -7.224 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.690 -9.037 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.076 -9.308 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.848 -6.897 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.696 -6.922 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.073 -8.810 -1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.098 -9.069 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.127 -7.884 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.780 -6.895 0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.724 -6.643 -0.452 1.00 0.00 H new ATOM 191 N ILE A 12 -6.064 -5.785 -3.487 1.00 0.00 N ATOM 192 CA ILE A 12 -5.151 -4.654 -3.467 1.00 0.00 C ATOM 193 C ILE A 12 -5.796 -3.472 -4.193 1.00 0.00 C ATOM 194 O ILE A 12 -5.846 -2.364 -3.660 1.00 0.00 O ATOM 195 CB ILE A 12 -3.789 -5.056 -4.035 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.651 -4.498 -3.177 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.660 -4.636 -5.501 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.412 -3.017 -3.480 1.00 0.00 C ATOM 0 H ILE A 12 -5.620 -6.689 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.961 -4.334 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.713 -6.143 -4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.892 -4.623 -2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.738 -5.063 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.682 -4.934 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.440 -5.121 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.766 -3.554 -5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.599 -2.645 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.148 -2.899 -4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.319 -2.451 -3.268 1.00 0.00 H new ATOM 210 N ARG A 13 -6.273 -3.747 -5.398 1.00 0.00 N ATOM 211 CA ARG A 13 -6.913 -2.720 -6.203 1.00 0.00 C ATOM 212 C ARG A 13 -8.317 -2.427 -5.671 1.00 0.00 C ATOM 213 O ARG A 13 -8.651 -1.276 -5.391 1.00 0.00 O ATOM 214 CB ARG A 13 -7.009 -3.148 -7.668 1.00 0.00 C ATOM 215 CG ARG A 13 -6.184 -2.223 -8.565 1.00 0.00 C ATOM 216 CD ARG A 13 -6.506 -2.460 -10.042 1.00 0.00 C ATOM 217 NE ARG A 13 -6.578 -1.167 -10.758 1.00 0.00 N ATOM 218 CZ ARG A 13 -5.502 -0.416 -11.074 1.00 0.00 C ATOM 219 NH1 ARG A 13 -4.259 -0.824 -10.738 1.00 0.00 N ATOM 220 NH2 ARG A 13 -5.683 0.723 -11.716 1.00 0.00 N ATOM 0 H ARG A 13 -6.229 -4.667 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.301 -1.820 -6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.656 -4.174 -7.775 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.051 -3.135 -7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.388 -1.184 -8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.122 -2.393 -8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.741 -3.092 -10.493 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.454 -2.990 -10.136 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.498 -0.822 -11.030 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.128 -1.706 -10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.451 -0.251 -10.981 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.625 1.024 -11.966 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.881 1.303 -11.962 1.00 0.00 H new ATOM 233 N PHE A 14 -9.102 -3.487 -5.548 1.00 0.00 N ATOM 234 CA PHE A 14 -10.462 -3.358 -5.054 1.00 0.00 C ATOM 235 C PHE A 14 -10.518 -2.439 -3.832 1.00 0.00 C ATOM 236 O PHE A 14 -11.553 -1.836 -3.551 1.00 0.00 O ATOM 237 CB PHE A 14 -10.925 -4.758 -4.646 1.00 0.00 C ATOM 238 CG PHE A 14 -12.439 -4.961 -4.726 1.00 0.00 C ATOM 239 CD1 PHE A 14 -13.258 -4.327 -3.845 1.00 0.00 C ATOM 240 CD2 PHE A 14 -12.966 -5.776 -5.679 1.00 0.00 C ATOM 241 CE1 PHE A 14 -14.663 -4.516 -3.919 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.372 -5.965 -5.753 1.00 0.00 C ATOM 243 CZ PHE A 14 -15.191 -5.331 -4.872 1.00 0.00 C ATOM 0 H PHE A 14 -8.822 -4.439 -5.782 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.099 -2.928 -5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.436 -5.492 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.596 -4.955 -3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.839 -3.679 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.316 -6.279 -6.379 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.313 -4.013 -3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.791 -6.612 -6.509 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.260 -5.474 -4.929 1.00 0.00 H new ATOM 253 N GLN A 15 -9.391 -2.360 -3.139 1.00 0.00 N ATOM 254 CA GLN A 15 -9.299 -1.525 -1.954 1.00 0.00 C ATOM 255 C GLN A 15 -8.981 -0.080 -2.347 1.00 0.00 C ATOM 256 O GLN A 15 -9.667 0.847 -1.922 1.00 0.00 O ATOM 257 CB GLN A 15 -8.254 -2.070 -0.979 1.00 0.00 C ATOM 258 CG GLN A 15 -8.923 -2.749 0.218 1.00 0.00 C ATOM 259 CD GLN A 15 -8.638 -1.984 1.512 1.00 0.00 C ATOM 260 OE1 GLN A 15 -8.895 -0.798 1.632 1.00 0.00 O ATOM 261 NE2 GLN A 15 -8.093 -2.728 2.471 1.00 0.00 N ATOM 0 H GLN A 15 -8.534 -2.861 -3.376 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.264 -1.540 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.609 -2.783 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.617 -1.257 -0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.999 -2.805 0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.561 -3.773 0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.904 -3.716 2.304 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.865 -2.310 3.373 1.00 0.00 H new ATOM 270 N THR A 16 -7.939 0.065 -3.153 1.00 0.00 N ATOM 271 CA THR A 16 -7.522 1.380 -3.607 1.00 0.00 C ATOM 272 C THR A 16 -8.679 2.094 -4.309 1.00 0.00 C ATOM 273 O THR A 16 -9.829 1.669 -4.206 1.00 0.00 O ATOM 274 CB THR A 16 -6.289 1.204 -4.495 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.657 0.168 -5.401 1.00 0.00 O ATOM 276 CG2 THR A 16 -5.095 0.625 -3.732 1.00 0.00 C ATOM 0 H THR A 16 -7.371 -0.707 -3.503 1.00 0.00 H new ATOM 0 HA THR A 16 -7.248 2.020 -2.768 1.00 0.00 H new ATOM 0 HB THR A 16 -6.013 2.166 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.628 0.180 -5.535 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.247 0.520 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.827 1.294 -2.914 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.360 -0.352 -3.329 1.00 0.00 H new ATOM 284 N ARG A 17 -8.335 3.166 -5.007 1.00 0.00 N ATOM 285 CA ARG A 17 -9.331 3.942 -5.726 1.00 0.00 C ATOM 286 C ARG A 17 -10.387 4.478 -4.757 1.00 0.00 C ATOM 287 O ARG A 17 -10.475 4.026 -3.617 1.00 0.00 O ATOM 288 CB ARG A 17 -10.017 3.098 -6.801 1.00 0.00 C ATOM 289 CG ARG A 17 -9.123 2.947 -8.034 1.00 0.00 C ATOM 290 CD ARG A 17 -9.959 2.889 -9.314 1.00 0.00 C ATOM 291 NE ARG A 17 -10.488 1.521 -9.512 1.00 0.00 N ATOM 292 CZ ARG A 17 -10.943 1.049 -10.692 1.00 0.00 C ATOM 293 NH1 ARG A 17 -10.937 1.833 -11.792 1.00 0.00 N ATOM 294 NH2 ARG A 17 -11.394 -0.190 -10.755 1.00 0.00 N ATOM 0 H ARG A 17 -7.380 3.516 -5.090 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.818 4.775 -6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.256 2.114 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.961 3.563 -7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.427 3.784 -8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.525 2.040 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.782 3.601 -9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.349 3.179 -10.170 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.510 0.896 -8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.587 2.789 -11.735 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.283 1.469 -12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.395 -0.775 -9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.741 -0.562 -11.639 1.00 0.00 H new ATOM 307 N ARG A 18 -11.161 5.436 -5.247 1.00 0.00 N ATOM 308 CA ARG A 18 -12.207 6.038 -4.438 1.00 0.00 C ATOM 309 C ARG A 18 -11.594 6.844 -3.291 1.00 0.00 C ATOM 310 O ARG A 18 -10.376 6.864 -3.124 1.00 0.00 O ATOM 311 CB ARG A 18 -13.140 4.972 -3.861 1.00 0.00 C ATOM 312 CG ARG A 18 -14.572 5.165 -4.364 1.00 0.00 C ATOM 313 CD ARG A 18 -15.188 3.830 -4.790 1.00 0.00 C ATOM 314 NE ARG A 18 -15.818 3.169 -3.625 1.00 0.00 N ATOM 315 CZ ARG A 18 -16.085 1.848 -3.558 1.00 0.00 C ATOM 316 NH1 ARG A 18 -15.777 1.033 -4.589 1.00 0.00 N ATOM 317 NH2 ARG A 18 -16.650 1.364 -2.468 1.00 0.00 N ATOM 0 H ARG A 18 -11.085 5.810 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.785 6.700 -5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.783 3.981 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.124 5.020 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.179 5.616 -3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.575 5.857 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.931 3.995 -5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.419 3.184 -5.213 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.066 3.748 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.339 1.414 -5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.982 0.036 -4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.878 1.986 -1.693 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.859 0.368 -2.401 1.00 0.00 H new ATOM 330 N GLY A 19 -12.467 7.490 -2.532 1.00 0.00 N ATOM 331 CA GLY A 19 -12.026 8.296 -1.406 1.00 0.00 C ATOM 332 C GLY A 19 -11.380 9.598 -1.884 1.00 0.00 C ATOM 333 O GLY A 19 -11.790 10.685 -1.478 1.00 0.00 O ATOM 0 H GLY A 19 -13.477 7.472 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.875 8.522 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.313 7.730 -0.807 1.00 0.00 H new ATOM 337 N LEU A 20 -10.379 9.446 -2.738 1.00 0.00 N ATOM 338 CA LEU A 20 -9.672 10.596 -3.275 1.00 0.00 C ATOM 339 C LEU A 20 -9.299 10.325 -4.734 1.00 0.00 C ATOM 340 O LEU A 20 -8.850 9.230 -5.071 1.00 0.00 O ATOM 341 CB LEU A 20 -8.475 10.950 -2.390 1.00 0.00 C ATOM 342 CG LEU A 20 -8.638 12.187 -1.505 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.760 11.987 -0.485 1.00 0.00 C ATOM 344 CD2 LEU A 20 -7.314 12.559 -0.834 1.00 0.00 C ATOM 0 H LEU A 20 -10.041 8.543 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.316 11.476 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.257 10.096 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.606 11.098 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.925 13.026 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.855 12.881 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.699 11.805 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.527 11.132 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.457 13.442 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.974 11.729 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.566 12.772 -1.598 1.00 0.00 H new ATOM 356 N LEU A 21 -9.499 11.340 -5.561 1.00 0.00 N ATOM 357 CA LEU A 21 -9.190 11.225 -6.976 1.00 0.00 C ATOM 358 C LEU A 21 -7.681 11.043 -7.151 1.00 0.00 C ATOM 359 O LEU A 21 -7.229 10.007 -7.637 1.00 0.00 O ATOM 360 CB LEU A 21 -9.759 12.418 -7.748 1.00 0.00 C ATOM 361 CG LEU A 21 -9.204 12.630 -9.158 1.00 0.00 C ATOM 362 CD1 LEU A 21 -9.666 11.518 -10.102 1.00 0.00 C ATOM 363 CD2 LEU A 21 -9.569 14.019 -9.687 1.00 0.00 C ATOM 0 H LEU A 21 -9.871 12.246 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.669 10.343 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.840 12.298 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.576 13.322 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.116 12.579 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.258 11.693 -11.097 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.315 10.556 -9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.755 11.513 -10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.163 14.144 -10.691 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.654 14.123 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.151 14.781 -9.029 1.00 0.00 H new ATOM 375 N GLU A 22 -6.943 12.065 -6.745 1.00 0.00 N ATOM 376 CA GLU A 22 -5.494 12.031 -6.850 1.00 0.00 C ATOM 377 C GLU A 22 -4.956 10.692 -6.341 1.00 0.00 C ATOM 378 O GLU A 22 -4.055 10.111 -6.944 1.00 0.00 O ATOM 379 CB GLU A 22 -4.861 13.200 -6.092 1.00 0.00 C ATOM 380 CG GLU A 22 -3.490 13.551 -6.672 1.00 0.00 C ATOM 381 CD GLU A 22 -3.524 14.909 -7.377 1.00 0.00 C ATOM 382 OE1 GLU A 22 -2.883 15.864 -6.914 1.00 0.00 O ATOM 383 OE2 GLU A 22 -4.248 14.951 -8.443 1.00 0.00 O ATOM 0 H GLU A 22 -7.321 12.922 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.223 12.133 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.516 14.070 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.759 12.942 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.748 13.570 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.181 12.779 -7.377 1.00 0.00 H new ATOM 391 N LEU A 23 -5.532 10.241 -5.236 1.00 0.00 N ATOM 392 CA LEU A 23 -5.122 8.981 -4.639 1.00 0.00 C ATOM 393 C LEU A 23 -5.161 7.881 -5.702 1.00 0.00 C ATOM 394 O LEU A 23 -4.176 7.174 -5.905 1.00 0.00 O ATOM 395 CB LEU A 23 -5.970 8.673 -3.404 1.00 0.00 C ATOM 396 CG LEU A 23 -5.275 7.881 -2.294 1.00 0.00 C ATOM 397 CD1 LEU A 23 -4.034 7.163 -2.828 1.00 0.00 C ATOM 398 CD2 LEU A 23 -4.949 8.780 -1.100 1.00 0.00 C ATOM 0 H LEU A 23 -6.279 10.726 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.094 9.045 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.322 9.616 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.852 8.117 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.963 7.114 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.559 6.608 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.325 6.473 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.332 7.896 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.456 8.192 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.288 9.585 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.871 9.204 -0.702 1.00 0.00 H new ATOM 410 N ASP A 24 -6.311 7.772 -6.353 1.00 0.00 N ATOM 411 CA ASP A 24 -6.491 6.771 -7.390 1.00 0.00 C ATOM 412 C ASP A 24 -5.311 6.831 -8.362 1.00 0.00 C ATOM 413 O ASP A 24 -4.847 5.799 -8.845 1.00 0.00 O ATOM 414 CB ASP A 24 -7.773 7.026 -8.185 1.00 0.00 C ATOM 415 CG ASP A 24 -8.048 6.024 -9.307 1.00 0.00 C ATOM 416 OD1 ASP A 24 -7.173 5.229 -9.683 1.00 0.00 O ATOM 417 OD2 ASP A 24 -9.235 6.080 -9.810 1.00 0.00 O ATOM 0 H ASP A 24 -7.126 8.360 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.553 5.795 -6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.618 7.018 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.723 8.026 -8.616 1.00 0.00 H new ATOM 423 N LEU A 25 -4.860 8.049 -8.620 1.00 0.00 N ATOM 424 CA LEU A 25 -3.743 8.257 -9.525 1.00 0.00 C ATOM 425 C LEU A 25 -2.450 7.800 -8.847 1.00 0.00 C ATOM 426 O LEU A 25 -1.666 7.056 -9.435 1.00 0.00 O ATOM 427 CB LEU A 25 -3.705 9.710 -10.005 1.00 0.00 C ATOM 428 CG LEU A 25 -5.062 10.400 -10.160 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.907 11.769 -10.826 1.00 0.00 C ATOM 430 CD2 LEU A 25 -6.049 9.505 -10.912 1.00 0.00 C ATOM 0 H LEU A 25 -5.248 8.902 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.864 7.652 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.104 10.288 -9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.192 9.741 -10.966 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.475 10.570 -9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.886 12.239 -10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.262 12.400 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.463 11.645 -11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.005 10.019 -11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.655 9.282 -11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.191 8.576 -10.360 1.00 0.00 H new ATOM 442 N ILE A 26 -2.267 8.263 -7.620 1.00 0.00 N ATOM 443 CA ILE A 26 -1.082 7.911 -6.855 1.00 0.00 C ATOM 444 C ILE A 26 -0.845 6.403 -6.957 1.00 0.00 C ATOM 445 O ILE A 26 0.251 5.966 -7.305 1.00 0.00 O ATOM 446 CB ILE A 26 -1.202 8.419 -5.417 1.00 0.00 C ATOM 447 CG1 ILE A 26 -1.360 9.941 -5.384 1.00 0.00 C ATOM 448 CG2 ILE A 26 -0.020 7.947 -4.568 1.00 0.00 C ATOM 449 CD1 ILE A 26 -2.089 10.389 -4.116 1.00 0.00 C ATOM 0 H ILE A 26 -2.920 8.879 -7.136 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.201 8.402 -7.269 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.104 7.992 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.379 10.413 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.914 10.272 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.130 8.322 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.005 6.857 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.909 8.325 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.188 11.474 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.079 9.934 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.520 10.078 -3.240 1.00 0.00 H new ATOM 461 N PHE A 27 -1.889 5.650 -6.647 1.00 0.00 N ATOM 462 CA PHE A 27 -1.808 4.200 -6.700 1.00 0.00 C ATOM 463 C PHE A 27 -1.319 3.727 -8.070 1.00 0.00 C ATOM 464 O PHE A 27 -0.523 2.794 -8.162 1.00 0.00 O ATOM 465 CB PHE A 27 -3.221 3.664 -6.463 1.00 0.00 C ATOM 466 CG PHE A 27 -3.734 3.871 -5.036 1.00 0.00 C ATOM 467 CD1 PHE A 27 -2.901 3.678 -3.979 1.00 0.00 C ATOM 468 CD2 PHE A 27 -5.024 4.248 -4.826 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.377 3.871 -2.655 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.500 4.441 -3.502 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.667 4.248 -2.444 1.00 0.00 C ATOM 0 H PHE A 27 -2.796 6.016 -6.358 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.105 3.840 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.905 4.151 -7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.238 2.599 -6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.877 3.378 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.686 4.400 -5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.715 3.718 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.524 4.741 -3.335 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.030 4.394 -1.437 1.00 0.00 H new ATOM 481 N GLY A 28 -1.817 4.393 -9.102 1.00 0.00 N ATOM 482 CA GLY A 28 -1.441 4.053 -10.464 1.00 0.00 C ATOM 483 C GLY A 28 0.062 3.784 -10.567 1.00 0.00 C ATOM 484 O GLY A 28 0.478 2.771 -11.127 1.00 0.00 O ATOM 0 H GLY A 28 -2.478 5.166 -9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.995 3.172 -10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.715 4.867 -11.135 1.00 0.00 H new ATOM 488 N ARG A 29 0.835 4.710 -10.018 1.00 0.00 N ATOM 489 CA ARG A 29 2.283 4.586 -10.041 1.00 0.00 C ATOM 490 C ARG A 29 2.761 3.733 -8.865 1.00 0.00 C ATOM 491 O ARG A 29 3.454 2.735 -9.058 1.00 0.00 O ATOM 492 CB ARG A 29 2.955 5.959 -9.973 1.00 0.00 C ATOM 493 CG ARG A 29 3.369 6.436 -11.367 1.00 0.00 C ATOM 494 CD ARG A 29 4.822 6.914 -11.373 1.00 0.00 C ATOM 495 NE ARG A 29 5.040 7.858 -12.491 1.00 0.00 N ATOM 496 CZ ARG A 29 6.192 8.529 -12.702 1.00 0.00 C ATOM 497 NH1 ARG A 29 7.243 8.365 -11.871 1.00 0.00 N ATOM 498 NH2 ARG A 29 6.276 9.348 -13.734 1.00 0.00 N ATOM 0 H ARG A 29 0.486 5.549 -9.555 1.00 0.00 H new ATOM 0 HA ARG A 29 2.560 4.105 -10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.271 6.681 -9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.831 5.907 -9.327 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.246 5.625 -12.084 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.714 7.246 -11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.058 7.399 -10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.494 6.061 -11.470 1.00 0.00 H new ATOM 0 HE ARG A 29 4.271 8.011 -13.144 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.170 7.730 -11.076 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.110 8.876 -12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.478 9.466 -14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.139 9.863 -13.908 1.00 0.00 H new ATOM 511 N PHE A 30 2.372 4.157 -7.671 1.00 0.00 N ATOM 512 CA PHE A 30 2.753 3.444 -6.463 1.00 0.00 C ATOM 513 C PHE A 30 2.739 1.931 -6.692 1.00 0.00 C ATOM 514 O PHE A 30 3.763 1.267 -6.535 1.00 0.00 O ATOM 515 CB PHE A 30 1.719 3.795 -5.392 1.00 0.00 C ATOM 516 CG PHE A 30 1.364 2.632 -4.464 1.00 0.00 C ATOM 517 CD1 PHE A 30 2.146 2.358 -3.386 1.00 0.00 C ATOM 518 CD2 PHE A 30 0.266 1.870 -4.718 1.00 0.00 C ATOM 519 CE1 PHE A 30 1.817 1.278 -2.525 1.00 0.00 C ATOM 520 CE2 PHE A 30 -0.064 0.790 -3.857 1.00 0.00 C ATOM 521 CZ PHE A 30 0.719 0.517 -2.779 1.00 0.00 C ATOM 0 H PHE A 30 1.797 4.985 -7.514 1.00 0.00 H new ATOM 0 HA PHE A 30 3.762 3.730 -6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.099 4.622 -4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.810 4.147 -5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.018 2.962 -3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.355 2.087 -5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.438 1.061 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.936 0.186 -4.058 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.469 -0.305 -2.124 1.00 0.00 H new ATOM 531 N MET A 31 1.569 1.431 -7.058 1.00 0.00 N ATOM 532 CA MET A 31 1.408 0.009 -7.310 1.00 0.00 C ATOM 533 C MET A 31 2.363 -0.465 -8.407 1.00 0.00 C ATOM 534 O MET A 31 3.043 -1.477 -8.249 1.00 0.00 O ATOM 535 CB MET A 31 -0.035 -0.276 -7.731 1.00 0.00 C ATOM 536 CG MET A 31 -0.848 -0.830 -6.560 1.00 0.00 C ATOM 537 SD MET A 31 -2.337 0.131 -6.341 1.00 0.00 S ATOM 538 CE MET A 31 -3.557 -1.065 -6.859 1.00 0.00 C ATOM 0 H MET A 31 0.722 1.985 -7.186 1.00 0.00 H new ATOM 0 HA MET A 31 1.641 -0.532 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.498 0.640 -8.099 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.043 -0.990 -8.554 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.103 -1.874 -6.745 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.251 -0.804 -5.648 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.226 -0.609 -7.589 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.057 -1.922 -7.310 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.133 -1.394 -5.995 1.00 0.00 H new ATOM 548 N GLU A 32 2.384 0.290 -9.496 1.00 0.00 N ATOM 549 CA GLU A 32 3.244 -0.040 -10.619 1.00 0.00 C ATOM 550 C GLU A 32 4.675 -0.289 -10.137 1.00 0.00 C ATOM 551 O GLU A 32 5.437 -1.005 -10.786 1.00 0.00 O ATOM 552 CB GLU A 32 3.208 1.062 -11.680 1.00 0.00 C ATOM 553 CG GLU A 32 3.046 0.469 -13.081 1.00 0.00 C ATOM 554 CD GLU A 32 3.651 1.393 -14.140 1.00 0.00 C ATOM 555 OE1 GLU A 32 3.458 2.617 -14.079 1.00 0.00 O ATOM 556 OE2 GLU A 32 4.343 0.798 -15.052 1.00 0.00 O ATOM 0 H GLU A 32 1.819 1.129 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 32 2.871 -0.955 -11.079 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.384 1.745 -11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.126 1.647 -11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.530 -0.507 -13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.989 0.310 -13.293 1.00 0.00 H new ATOM 564 N LYS A 33 4.996 0.314 -9.002 1.00 0.00 N ATOM 565 CA LYS A 33 6.322 0.166 -8.425 1.00 0.00 C ATOM 566 C LYS A 33 6.317 -1.005 -7.440 1.00 0.00 C ATOM 567 O LYS A 33 7.087 -1.952 -7.593 1.00 0.00 O ATOM 568 CB LYS A 33 6.788 1.486 -7.808 1.00 0.00 C ATOM 569 CG LYS A 33 8.241 1.784 -8.185 1.00 0.00 C ATOM 570 CD LYS A 33 8.468 3.289 -8.348 1.00 0.00 C ATOM 571 CE LYS A 33 9.757 3.568 -9.123 1.00 0.00 C ATOM 572 NZ LYS A 33 10.929 3.499 -8.222 1.00 0.00 N ATOM 0 H LYS A 33 4.361 0.906 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 33 7.050 -0.072 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.146 2.298 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.692 1.439 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.907 1.393 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.492 1.272 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.621 3.734 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.520 3.761 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.868 2.843 -9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.704 4.554 -9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.795 3.691 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.829 4.207 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.987 2.550 -7.800 1.00 0.00 H new ATOM 585 N GLU A 34 5.441 -0.901 -6.452 1.00 0.00 N ATOM 586 CA GLU A 34 5.326 -1.940 -5.442 1.00 0.00 C ATOM 587 C GLU A 34 4.589 -3.154 -6.011 1.00 0.00 C ATOM 588 O GLU A 34 5.205 -4.177 -6.305 1.00 0.00 O ATOM 589 CB GLU A 34 4.626 -1.411 -4.189 1.00 0.00 C ATOM 590 CG GLU A 34 5.584 -0.578 -3.335 1.00 0.00 C ATOM 591 CD GLU A 34 6.640 -1.465 -2.672 1.00 0.00 C ATOM 592 OE1 GLU A 34 7.812 -1.443 -3.077 1.00 0.00 O ATOM 593 OE2 GLU A 34 6.207 -2.196 -1.702 1.00 0.00 O ATOM 0 H GLU A 34 4.804 -0.114 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 34 6.330 -2.252 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.768 -0.803 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.243 -2.246 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.072 0.172 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.022 -0.042 -2.570 1.00 0.00 H new ATOM 601 N PHE A 35 3.280 -3.000 -6.150 1.00 0.00 N ATOM 602 CA PHE A 35 2.453 -4.071 -6.678 1.00 0.00 C ATOM 603 C PHE A 35 3.100 -4.708 -7.910 1.00 0.00 C ATOM 604 O PHE A 35 2.755 -5.826 -8.289 1.00 0.00 O ATOM 605 CB PHE A 35 1.117 -3.445 -7.085 1.00 0.00 C ATOM 606 CG PHE A 35 0.425 -4.157 -8.248 1.00 0.00 C ATOM 607 CD1 PHE A 35 -0.393 -5.217 -8.007 1.00 0.00 C ATOM 608 CD2 PHE A 35 0.626 -3.731 -9.524 1.00 0.00 C ATOM 609 CE1 PHE A 35 -1.035 -5.879 -9.087 1.00 0.00 C ATOM 610 CE2 PHE A 35 -0.016 -4.392 -10.604 1.00 0.00 C ATOM 611 CZ PHE A 35 -0.834 -5.452 -10.362 1.00 0.00 C ATOM 0 H PHE A 35 2.772 -2.150 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 35 2.326 -4.849 -5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.450 -3.446 -6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.284 -2.403 -7.358 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.554 -5.555 -6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.275 -2.889 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.683 -6.722 -8.895 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.145 -4.054 -11.617 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.324 -5.954 -11.183 1.00 0.00 H new ATOM 621 N GLU A 36 4.028 -3.968 -8.500 1.00 0.00 N ATOM 622 CA GLU A 36 4.727 -4.446 -9.681 1.00 0.00 C ATOM 623 C GLU A 36 4.920 -5.962 -9.605 1.00 0.00 C ATOM 624 O GLU A 36 4.634 -6.676 -10.565 1.00 0.00 O ATOM 625 CB GLU A 36 6.068 -3.730 -9.851 1.00 0.00 C ATOM 626 CG GLU A 36 7.172 -4.439 -9.066 1.00 0.00 C ATOM 627 CD GLU A 36 8.520 -3.741 -9.262 1.00 0.00 C ATOM 628 OE1 GLU A 36 8.908 -3.452 -10.404 1.00 0.00 O ATOM 629 OE2 GLU A 36 9.171 -3.498 -8.175 1.00 0.00 O ATOM 0 H GLU A 36 4.312 -3.041 -8.182 1.00 0.00 H new ATOM 0 HA GLU A 36 4.119 -4.220 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.334 -3.694 -10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.979 -2.699 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.917 -4.454 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.245 -5.477 -9.391 1.00 0.00 H new ATOM 637 N HIS A 37 5.405 -6.408 -8.455 1.00 0.00 N ATOM 638 CA HIS A 37 5.640 -7.826 -8.242 1.00 0.00 C ATOM 639 C HIS A 37 5.660 -8.123 -6.742 1.00 0.00 C ATOM 640 O HIS A 37 6.566 -8.794 -6.250 1.00 0.00 O ATOM 641 CB HIS A 37 6.917 -8.278 -8.953 1.00 0.00 C ATOM 642 CG HIS A 37 6.753 -9.537 -9.771 1.00 0.00 C ATOM 643 ND1 HIS A 37 7.716 -9.986 -10.657 1.00 0.00 N ATOM 644 CD2 HIS A 37 5.728 -10.436 -9.827 1.00 0.00 C ATOM 645 CE1 HIS A 37 7.280 -11.106 -11.216 1.00 0.00 C ATOM 646 NE2 HIS A 37 6.048 -11.382 -10.700 1.00 0.00 N ATOM 0 H HIS A 37 5.641 -5.812 -7.661 1.00 0.00 H new ATOM 0 HA HIS A 37 4.826 -8.403 -8.681 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.261 -7.475 -9.606 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.697 -8.440 -8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.812 -10.386 -9.257 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.807 -11.696 -11.951 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.468 -12.184 -10.945 1.00 0.00 H new ATOM 654 N LEU A 38 4.651 -7.608 -6.055 1.00 0.00 N ATOM 655 CA LEU A 38 4.541 -7.810 -4.620 1.00 0.00 C ATOM 656 C LEU A 38 4.459 -9.309 -4.325 1.00 0.00 C ATOM 657 O LEU A 38 4.674 -10.133 -5.213 1.00 0.00 O ATOM 658 CB LEU A 38 3.369 -7.006 -4.054 1.00 0.00 C ATOM 659 CG LEU A 38 3.612 -5.507 -3.867 1.00 0.00 C ATOM 660 CD1 LEU A 38 2.314 -4.782 -3.504 1.00 0.00 C ATOM 661 CD2 LEU A 38 4.717 -5.254 -2.839 1.00 0.00 C ATOM 0 H LEU A 38 3.902 -7.051 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 38 5.429 -7.434 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.512 -7.135 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.094 -7.432 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 38 3.956 -5.096 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.515 -3.718 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.584 -4.921 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.917 -5.190 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.869 -4.181 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.427 -5.683 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.643 -5.718 -3.179 1.00 0.00 H new ATOM 673 N SER A 39 4.146 -9.617 -3.075 1.00 0.00 N ATOM 674 CA SER A 39 4.033 -11.002 -2.652 1.00 0.00 C ATOM 675 C SER A 39 3.271 -11.084 -1.327 1.00 0.00 C ATOM 676 O SER A 39 2.797 -10.070 -0.816 1.00 0.00 O ATOM 677 CB SER A 39 5.412 -11.650 -2.512 1.00 0.00 C ATOM 678 OG SER A 39 5.353 -12.880 -1.794 1.00 0.00 O ATOM 0 H SER A 39 3.967 -8.931 -2.342 1.00 0.00 H new ATOM 0 HA SER A 39 3.481 -11.549 -3.416 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.831 -11.828 -3.502 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.085 -10.963 -2.000 1.00 0.00 H new ATOM 0 HG SER A 39 6.252 -13.263 -1.727 1.00 0.00 H new ATOM 684 N ASP A 40 3.178 -12.299 -0.809 1.00 0.00 N ATOM 685 CA ASP A 40 2.482 -12.527 0.446 1.00 0.00 C ATOM 686 C ASP A 40 3.033 -11.575 1.509 1.00 0.00 C ATOM 687 O ASP A 40 2.299 -10.748 2.049 1.00 0.00 O ATOM 688 CB ASP A 40 2.690 -13.959 0.940 1.00 0.00 C ATOM 689 CG ASP A 40 1.601 -14.486 1.876 1.00 0.00 C ATOM 690 OD1 ASP A 40 0.778 -13.717 2.395 1.00 0.00 O ATOM 691 OD2 ASP A 40 1.618 -15.761 2.070 1.00 0.00 O ATOM 0 H ASP A 40 3.573 -13.137 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 40 1.419 -12.356 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.755 -14.619 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.649 -14.013 1.456 1.00 0.00 H new ATOM 697 N LYS A 41 4.322 -11.723 1.779 1.00 0.00 N ATOM 698 CA LYS A 41 4.980 -10.886 2.769 1.00 0.00 C ATOM 699 C LYS A 41 4.444 -9.457 2.660 1.00 0.00 C ATOM 700 O LYS A 41 3.936 -8.906 3.635 1.00 0.00 O ATOM 701 CB LYS A 41 6.500 -10.985 2.627 1.00 0.00 C ATOM 702 CG LYS A 41 7.204 -10.375 3.841 1.00 0.00 C ATOM 703 CD LYS A 41 8.112 -11.401 4.522 1.00 0.00 C ATOM 704 CE LYS A 41 7.531 -11.840 5.867 1.00 0.00 C ATOM 705 NZ LYS A 41 8.589 -11.875 6.902 1.00 0.00 N ATOM 0 H LYS A 41 4.928 -12.409 1.330 1.00 0.00 H new ATOM 0 HA LYS A 41 4.753 -11.236 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.792 -12.030 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.819 -10.470 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.794 -9.513 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.462 -10.013 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.235 -12.269 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.103 -10.972 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.740 -11.153 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.077 -12.826 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.178 -12.175 7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.330 -12.548 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.004 -10.927 7.007 1.00 0.00 H new ATOM 718 N GLU A 42 4.576 -8.899 1.466 1.00 0.00 N ATOM 719 CA GLU A 42 4.111 -7.545 1.217 1.00 0.00 C ATOM 720 C GLU A 42 2.591 -7.469 1.373 1.00 0.00 C ATOM 721 O GLU A 42 2.071 -6.533 1.979 1.00 0.00 O ATOM 722 CB GLU A 42 4.544 -7.062 -0.168 1.00 0.00 C ATOM 723 CG GLU A 42 6.055 -7.219 -0.355 1.00 0.00 C ATOM 724 CD GLU A 42 6.800 -5.977 0.137 1.00 0.00 C ATOM 725 OE1 GLU A 42 6.215 -4.885 0.196 1.00 0.00 O ATOM 726 OE2 GLU A 42 8.032 -6.175 0.466 1.00 0.00 O ATOM 0 H GLU A 42 4.998 -9.360 0.660 1.00 0.00 H new ATOM 0 HA GLU A 42 4.566 -6.884 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.018 -7.629 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.265 -6.016 -0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.403 -8.096 0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.279 -7.389 -1.408 1.00 0.00 H new ATOM 734 N LEU A 43 1.920 -8.466 0.816 1.00 0.00 N ATOM 735 CA LEU A 43 0.469 -8.524 0.886 1.00 0.00 C ATOM 736 C LEU A 43 0.021 -8.244 2.322 1.00 0.00 C ATOM 737 O LEU A 43 -0.910 -7.472 2.546 1.00 0.00 O ATOM 738 CB LEU A 43 -0.041 -9.855 0.330 1.00 0.00 C ATOM 739 CG LEU A 43 0.090 -10.045 -1.182 1.00 0.00 C ATOM 740 CD1 LEU A 43 -1.190 -10.636 -1.774 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.487 -8.736 -1.867 1.00 0.00 C ATOM 0 H LEU A 43 2.354 -9.241 0.314 1.00 0.00 H new ATOM 0 HA LEU A 43 0.025 -7.752 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.497 -10.663 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.092 -9.960 0.600 1.00 0.00 H new ATOM 0 HG LEU A 43 0.890 -10.761 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.069 -10.761 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.389 -11.605 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.026 -9.964 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.573 -8.899 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.274 -7.979 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.445 -8.395 -1.474 1.00 0.00 H new ATOM 753 N SER A 44 0.704 -8.887 3.257 1.00 0.00 N ATOM 754 CA SER A 44 0.387 -8.717 4.665 1.00 0.00 C ATOM 755 C SER A 44 0.366 -7.229 5.021 1.00 0.00 C ATOM 756 O SER A 44 -0.654 -6.709 5.470 1.00 0.00 O ATOM 757 CB SER A 44 1.391 -9.460 5.549 1.00 0.00 C ATOM 758 OG SER A 44 0.749 -10.373 6.435 1.00 0.00 O ATOM 0 H SER A 44 1.476 -9.527 3.068 1.00 0.00 H new ATOM 0 HA SER A 44 -0.600 -9.141 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.097 -10.002 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.968 -8.739 6.127 1.00 0.00 H new ATOM 0 HG SER A 44 1.424 -10.828 6.981 1.00 0.00 H new ATOM 764 N GLU A 45 1.504 -6.586 4.806 1.00 0.00 N ATOM 765 CA GLU A 45 1.629 -5.168 5.099 1.00 0.00 C ATOM 766 C GLU A 45 0.641 -4.363 4.252 1.00 0.00 C ATOM 767 O GLU A 45 -0.200 -3.644 4.788 1.00 0.00 O ATOM 768 CB GLU A 45 3.064 -4.686 4.875 1.00 0.00 C ATOM 769 CG GLU A 45 3.989 -5.187 5.985 1.00 0.00 C ATOM 770 CD GLU A 45 3.645 -4.530 7.324 1.00 0.00 C ATOM 771 OE1 GLU A 45 2.719 -3.708 7.391 1.00 0.00 O ATOM 772 OE2 GLU A 45 4.378 -4.902 8.318 1.00 0.00 O ATOM 0 H GLU A 45 2.348 -7.020 4.432 1.00 0.00 H new ATOM 0 HA GLU A 45 1.389 -5.011 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.424 -5.040 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.085 -3.597 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.902 -6.270 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.025 -4.970 5.725 1.00 0.00 H new ATOM 780 N PHE A 46 0.777 -4.510 2.942 1.00 0.00 N ATOM 781 CA PHE A 46 -0.092 -3.805 2.015 1.00 0.00 C ATOM 782 C PHE A 46 -1.555 -3.907 2.451 1.00 0.00 C ATOM 783 O PHE A 46 -2.232 -2.892 2.609 1.00 0.00 O ATOM 784 CB PHE A 46 0.069 -4.477 0.651 1.00 0.00 C ATOM 785 CG PHE A 46 0.764 -3.603 -0.395 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.918 -2.956 -0.083 1.00 0.00 C ATOM 787 CD2 PHE A 46 0.226 -3.473 -1.638 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.562 -2.144 -1.054 1.00 0.00 C ATOM 789 CE2 PHE A 46 0.870 -2.661 -2.609 1.00 0.00 C ATOM 790 CZ PHE A 46 2.025 -2.014 -2.296 1.00 0.00 C ATOM 0 H PHE A 46 1.476 -5.107 2.501 1.00 0.00 H new ATOM 0 HA PHE A 46 0.177 -2.749 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.638 -5.398 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.916 -4.759 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.345 -3.059 0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.691 -3.987 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.479 -1.630 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.443 -2.557 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.515 -1.397 -3.034 1.00 0.00 H new ATOM 800 N SER A 47 -2.000 -5.141 2.633 1.00 0.00 N ATOM 801 CA SER A 47 -3.371 -5.389 3.048 1.00 0.00 C ATOM 802 C SER A 47 -3.618 -4.781 4.429 1.00 0.00 C ATOM 803 O SER A 47 -4.763 -4.536 4.808 1.00 0.00 O ATOM 804 CB SER A 47 -3.678 -6.888 3.065 1.00 0.00 C ATOM 805 OG SER A 47 -5.068 -7.146 3.247 1.00 0.00 O ATOM 0 H SER A 47 -1.436 -5.980 2.501 1.00 0.00 H new ATOM 0 HA SER A 47 -4.038 -4.917 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.345 -7.337 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.113 -7.365 3.866 1.00 0.00 H new ATOM 0 HG SER A 47 -5.223 -8.114 3.251 1.00 0.00 H new ATOM 811 N GLU A 48 -2.526 -4.554 5.145 1.00 0.00 N ATOM 812 CA GLU A 48 -2.610 -3.978 6.476 1.00 0.00 C ATOM 813 C GLU A 48 -2.680 -2.452 6.391 1.00 0.00 C ATOM 814 O GLU A 48 -3.446 -1.821 7.118 1.00 0.00 O ATOM 815 CB GLU A 48 -1.431 -4.426 7.342 1.00 0.00 C ATOM 816 CG GLU A 48 -1.888 -5.405 8.426 1.00 0.00 C ATOM 817 CD GLU A 48 -1.541 -6.845 8.045 1.00 0.00 C ATOM 818 OE1 GLU A 48 -0.500 -7.366 8.472 1.00 0.00 O ATOM 819 OE2 GLU A 48 -2.399 -7.428 7.277 1.00 0.00 O ATOM 0 H GLU A 48 -1.578 -4.759 4.828 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.524 -4.338 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.674 -4.898 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.964 -3.557 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.413 -5.151 9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.964 -5.313 8.574 1.00 0.00 H new ATOM 827 N ILE A 49 -1.870 -1.903 5.497 1.00 0.00 N ATOM 828 CA ILE A 49 -1.831 -0.463 5.308 1.00 0.00 C ATOM 829 C ILE A 49 -3.070 -0.022 4.527 1.00 0.00 C ATOM 830 O ILE A 49 -3.750 0.925 4.918 1.00 0.00 O ATOM 831 CB ILE A 49 -0.511 -0.045 4.657 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.379 0.703 5.652 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.761 0.770 3.386 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.638 1.238 4.967 1.00 0.00 C ATOM 0 H ILE A 49 -1.236 -2.430 4.896 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.862 0.050 6.270 1.00 0.00 H new ATOM 0 HB ILE A 49 0.025 -0.947 4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.178 1.529 6.094 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.660 0.036 6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.193 1.055 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.327 0.169 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.328 1.667 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.253 1.765 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.205 0.407 4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.354 1.923 4.168 1.00 0.00 H new ATOM 846 N LEU A 50 -3.325 -0.728 3.435 1.00 0.00 N ATOM 847 CA LEU A 50 -4.470 -0.421 2.595 1.00 0.00 C ATOM 848 C LEU A 50 -5.721 -0.308 3.468 1.00 0.00 C ATOM 849 O LEU A 50 -6.689 0.351 3.090 1.00 0.00 O ATOM 850 CB LEU A 50 -4.597 -1.446 1.467 1.00 0.00 C ATOM 851 CG LEU A 50 -3.600 -1.303 0.315 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.711 -2.480 -0.656 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.770 0.043 -0.393 1.00 0.00 C ATOM 0 H LEU A 50 -2.758 -1.512 3.113 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.335 0.543 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.487 -2.443 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.606 -1.384 1.058 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.593 -1.323 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.992 -2.353 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.502 -3.409 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.719 -2.517 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.050 0.119 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.781 0.118 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.601 0.852 0.318 1.00 0.00 H new ATOM 865 N GLU A 51 -5.662 -0.962 4.619 1.00 0.00 N ATOM 866 CA GLU A 51 -6.779 -0.944 5.548 1.00 0.00 C ATOM 867 C GLU A 51 -7.415 0.447 5.587 1.00 0.00 C ATOM 868 O GLU A 51 -8.627 0.575 5.754 1.00 0.00 O ATOM 869 CB GLU A 51 -6.337 -1.384 6.945 1.00 0.00 C ATOM 870 CG GLU A 51 -6.145 -2.900 7.008 1.00 0.00 C ATOM 871 CD GLU A 51 -7.254 -3.560 7.831 1.00 0.00 C ATOM 872 OE1 GLU A 51 -8.427 -3.176 7.711 1.00 0.00 O ATOM 873 OE2 GLU A 51 -6.861 -4.504 8.617 1.00 0.00 O ATOM 0 H GLU A 51 -4.858 -1.508 4.929 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.528 -1.655 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.405 -0.885 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.082 -1.078 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.142 -3.312 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.175 -3.129 7.449 1.00 0.00 H new ATOM 881 N PHE A 52 -6.568 1.454 5.429 1.00 0.00 N ATOM 882 CA PHE A 52 -7.032 2.831 5.444 1.00 0.00 C ATOM 883 C PHE A 52 -7.558 3.247 4.069 1.00 0.00 C ATOM 884 O PHE A 52 -7.151 2.691 3.050 1.00 0.00 O ATOM 885 CB PHE A 52 -5.829 3.705 5.803 1.00 0.00 C ATOM 886 CG PHE A 52 -5.826 4.195 7.252 1.00 0.00 C ATOM 887 CD1 PHE A 52 -6.854 4.955 7.715 1.00 0.00 C ATOM 888 CD2 PHE A 52 -4.795 3.871 8.078 1.00 0.00 C ATOM 889 CE1 PHE A 52 -6.852 5.410 9.060 1.00 0.00 C ATOM 890 CE2 PHE A 52 -4.792 4.326 9.423 1.00 0.00 C ATOM 891 CZ PHE A 52 -5.821 5.086 9.886 1.00 0.00 C ATOM 0 H PHE A 52 -5.564 1.344 5.290 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.844 2.942 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.915 3.140 5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.809 4.569 5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.673 5.213 7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.978 3.267 7.711 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.669 6.013 9.427 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.973 4.069 10.078 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.819 5.432 10.909 1.00 0.00 H new ATOM 901 N GLN A 53 -8.454 4.223 4.083 1.00 0.00 N ATOM 902 CA GLN A 53 -9.039 4.720 2.850 1.00 0.00 C ATOM 903 C GLN A 53 -8.094 5.719 2.179 1.00 0.00 C ATOM 904 O GLN A 53 -7.108 6.145 2.778 1.00 0.00 O ATOM 905 CB GLN A 53 -10.410 5.350 3.108 1.00 0.00 C ATOM 906 CG GLN A 53 -11.240 4.485 4.059 1.00 0.00 C ATOM 907 CD GLN A 53 -11.700 5.293 5.274 1.00 0.00 C ATOM 908 OE1 GLN A 53 -11.394 6.464 5.426 1.00 0.00 O ATOM 909 NE2 GLN A 53 -12.452 4.605 6.128 1.00 0.00 N ATOM 0 H GLN A 53 -8.789 4.683 4.930 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.185 3.877 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.283 6.345 3.533 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.942 5.472 2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.108 4.088 3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.649 3.630 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.671 3.627 5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.810 5.056 6.970 1.00 0.00 H new ATOM 918 N ASP A 54 -8.429 6.064 0.945 1.00 0.00 N ATOM 919 CA ASP A 54 -7.623 7.005 0.186 1.00 0.00 C ATOM 920 C ASP A 54 -7.559 8.337 0.937 1.00 0.00 C ATOM 921 O ASP A 54 -6.486 8.919 1.085 1.00 0.00 O ATOM 922 CB ASP A 54 -8.234 7.268 -1.192 1.00 0.00 C ATOM 923 CG ASP A 54 -8.115 6.110 -2.184 1.00 0.00 C ATOM 924 OD1 ASP A 54 -8.059 6.318 -3.405 1.00 0.00 O ATOM 925 OD2 ASP A 54 -8.079 4.936 -1.649 1.00 0.00 O ATOM 0 H ASP A 54 -9.248 5.709 0.451 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.629 6.575 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.289 7.510 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.755 8.147 -1.623 1.00 0.00 H new ATOM 931 N GLN A 55 -8.722 8.780 1.391 1.00 0.00 N ATOM 932 CA GLN A 55 -8.812 10.032 2.123 1.00 0.00 C ATOM 933 C GLN A 55 -7.842 10.026 3.306 1.00 0.00 C ATOM 934 O GLN A 55 -6.993 10.909 3.421 1.00 0.00 O ATOM 935 CB GLN A 55 -10.245 10.292 2.591 1.00 0.00 C ATOM 936 CG GLN A 55 -10.586 11.782 2.513 1.00 0.00 C ATOM 937 CD GLN A 55 -11.388 12.226 3.738 1.00 0.00 C ATOM 938 OE1 GLN A 55 -10.913 12.955 4.592 1.00 0.00 O ATOM 939 NE2 GLN A 55 -12.628 11.746 3.775 1.00 0.00 N ATOM 0 H GLN A 55 -9.610 8.294 1.266 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.531 10.843 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.941 9.723 1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.366 9.941 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.668 12.366 2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.159 11.981 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.963 11.140 3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.244 11.984 4.552 1.00 0.00 H new ATOM 948 N GLU A 56 -7.999 9.021 4.154 1.00 0.00 N ATOM 949 CA GLU A 56 -7.148 8.889 5.324 1.00 0.00 C ATOM 950 C GLU A 56 -5.694 8.666 4.900 1.00 0.00 C ATOM 951 O GLU A 56 -4.777 9.230 5.496 1.00 0.00 O ATOM 952 CB GLU A 56 -7.634 7.756 6.231 1.00 0.00 C ATOM 953 CG GLU A 56 -8.838 8.199 7.064 1.00 0.00 C ATOM 954 CD GLU A 56 -8.419 9.194 8.148 1.00 0.00 C ATOM 955 OE1 GLU A 56 -7.343 9.803 8.049 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.255 9.325 9.121 1.00 0.00 O ATOM 0 H GLU A 56 -8.703 8.290 4.054 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.202 9.816 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.905 6.891 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.826 7.442 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.585 8.656 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.306 7.329 7.525 1.00 0.00 H new ATOM 964 N LEU A 57 -5.530 7.844 3.875 1.00 0.00 N ATOM 965 CA LEU A 57 -4.204 7.540 3.365 1.00 0.00 C ATOM 966 C LEU A 57 -3.463 8.846 3.073 1.00 0.00 C ATOM 967 O LEU A 57 -2.419 9.117 3.664 1.00 0.00 O ATOM 968 CB LEU A 57 -4.295 6.602 2.159 1.00 0.00 C ATOM 969 CG LEU A 57 -2.976 6.292 1.449 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.042 5.488 2.355 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.224 5.589 0.113 1.00 0.00 C ATOM 0 H LEU A 57 -6.293 7.379 3.384 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.622 7.003 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.737 5.662 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.981 7.040 1.434 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.477 7.236 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.112 5.281 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.827 6.062 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.521 4.548 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.270 5.380 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.755 4.653 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.824 6.232 -0.531 1.00 0.00 H new ATOM 983 N LEU A 58 -4.032 9.621 2.161 1.00 0.00 N ATOM 984 CA LEU A 58 -3.439 10.893 1.784 1.00 0.00 C ATOM 985 C LEU A 58 -3.061 11.670 3.047 1.00 0.00 C ATOM 986 O LEU A 58 -1.887 11.950 3.279 1.00 0.00 O ATOM 987 CB LEU A 58 -4.371 11.661 0.845 1.00 0.00 C ATOM 988 CG LEU A 58 -3.690 12.475 -0.258 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.196 11.566 -1.385 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.615 13.579 -0.775 1.00 0.00 C ATOM 0 H LEU A 58 -4.898 9.392 1.672 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.519 10.732 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.050 10.949 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.981 12.337 1.444 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.814 12.963 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.716 12.170 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.478 10.849 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.041 11.031 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.107 14.142 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.523 13.133 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.875 14.249 0.044 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.080 11.995 3.829 1.00 0.00 N ATOM 1003 CA ALA A 59 -3.870 12.734 5.063 1.00 0.00 C ATOM 1004 C ALA A 59 -2.745 12.074 5.862 1.00 0.00 C ATOM 1005 O ALA A 59 -1.855 12.756 6.368 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.181 12.801 5.848 1.00 0.00 C ATOM 0 H ALA A 59 -5.053 11.760 3.632 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.566 13.759 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.023 13.355 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.939 13.305 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.516 11.791 6.083 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.821 10.754 5.952 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.820 9.994 6.681 1.00 0.00 C ATOM 1014 C LEU A 60 -0.432 10.327 6.131 1.00 0.00 C ATOM 1015 O LEU A 60 0.416 10.850 6.852 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.153 8.501 6.649 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.819 7.935 7.905 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.367 6.530 7.648 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.859 7.967 9.096 1.00 0.00 C ATOM 0 H LEU A 60 -3.561 10.191 5.532 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.821 10.275 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.808 8.313 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.231 7.947 6.470 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.668 8.571 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.835 6.150 8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.106 6.568 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.551 5.869 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.357 7.559 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.977 7.369 8.868 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.558 8.996 9.293 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.244 10.011 4.859 1.00 0.00 N ATOM 1032 CA ILE A 61 1.027 10.270 4.203 1.00 0.00 C ATOM 1033 C ILE A 61 1.459 11.710 4.489 1.00 0.00 C ATOM 1034 O ILE A 61 2.608 11.956 4.852 1.00 0.00 O ATOM 1035 CB ILE A 61 0.939 9.939 2.712 1.00 0.00 C ATOM 1036 CG1 ILE A 61 0.759 8.435 2.494 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.150 10.488 1.956 1.00 0.00 C ATOM 1038 CD1 ILE A 61 0.132 8.151 1.128 1.00 0.00 C ATOM 0 H ILE A 61 -0.950 9.578 4.264 1.00 0.00 H new ATOM 0 HA ILE A 61 1.802 9.618 4.605 1.00 0.00 H new ATOM 0 HB ILE A 61 0.056 10.431 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.725 7.935 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.127 8.023 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.062 10.239 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.191 11.571 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.061 10.046 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.015 7.075 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.844 8.632 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.778 8.543 0.343 1.00 0.00 H new ATOM 1050 N ASN A 62 0.515 12.623 4.315 1.00 0.00 N ATOM 1051 CA ASN A 62 0.784 14.031 4.550 1.00 0.00 C ATOM 1052 C ASN A 62 1.247 14.224 5.995 1.00 0.00 C ATOM 1053 O ASN A 62 2.106 15.060 6.269 1.00 0.00 O ATOM 1054 CB ASN A 62 -0.476 14.874 4.341 1.00 0.00 C ATOM 1055 CG ASN A 62 -0.583 15.351 2.891 1.00 0.00 C ATOM 1056 OD1 ASN A 62 0.063 16.298 2.473 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -1.431 14.644 2.150 1.00 0.00 N ATOM 0 H ASN A 62 -0.437 12.415 4.014 1.00 0.00 H new ATOM 0 HA ASN A 62 1.553 14.349 3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.357 14.287 4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.457 15.734 5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.572 14.883 1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.940 13.863 2.563 1.00 0.00 H new ATOM 1064 N GLY A 63 0.658 13.435 6.882 1.00 0.00 N ATOM 1065 CA GLY A 63 1.000 13.508 8.292 1.00 0.00 C ATOM 1066 C GLY A 63 -0.189 14.002 9.120 1.00 0.00 C ATOM 1067 O GLY A 63 -0.012 14.499 10.231 1.00 0.00 O ATOM 0 H GLY A 63 -0.054 12.742 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.311 12.525 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.848 14.179 8.430 1.00 0.00 H new ATOM 1071 N HIS A 64 -1.373 13.848 8.546 1.00 0.00 N ATOM 1072 CA HIS A 64 -2.591 14.272 9.216 1.00 0.00 C ATOM 1073 C HIS A 64 -3.020 13.204 10.224 1.00 0.00 C ATOM 1074 O HIS A 64 -2.676 13.283 11.402 1.00 0.00 O ATOM 1075 CB HIS A 64 -3.685 14.601 8.199 1.00 0.00 C ATOM 1076 CG HIS A 64 -3.968 16.078 8.059 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -5.249 16.586 7.926 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -3.124 17.149 8.032 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -5.167 17.905 7.825 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -3.849 18.252 7.890 1.00 0.00 N ATOM 0 H HIS A 64 -1.515 13.435 7.624 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.404 15.192 9.770 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.395 14.203 7.227 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.603 14.091 8.491 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.048 17.107 8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.998 18.586 7.711 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.481 19.202 7.838 1.00 0.00 H new ATOM 1088 N SER A 65 -3.766 12.230 9.724 1.00 0.00 N ATOM 1089 CA SER A 65 -4.246 11.147 10.565 1.00 0.00 C ATOM 1090 C SER A 65 -3.064 10.431 11.223 1.00 0.00 C ATOM 1091 O SER A 65 -1.909 10.753 10.948 1.00 0.00 O ATOM 1092 CB SER A 65 -5.086 10.154 9.760 1.00 0.00 C ATOM 1093 OG SER A 65 -6.424 10.071 10.243 1.00 0.00 O ATOM 0 H SER A 65 -4.050 12.168 8.746 1.00 0.00 H new ATOM 0 HA SER A 65 -4.882 11.574 11.341 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.097 10.454 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.623 9.168 9.804 1.00 0.00 H new ATOM 0 HG SER A 65 -7.024 10.539 9.625 1.00 0.00 H new ATOM 1099 N GLU A 66 -3.394 9.475 12.078 1.00 0.00 N ATOM 1100 CA GLU A 66 -2.374 8.711 12.776 1.00 0.00 C ATOM 1101 C GLU A 66 -2.496 7.225 12.433 1.00 0.00 C ATOM 1102 O GLU A 66 -3.485 6.801 11.836 1.00 0.00 O ATOM 1103 CB GLU A 66 -2.461 8.934 14.287 1.00 0.00 C ATOM 1104 CG GLU A 66 -1.583 10.110 14.719 1.00 0.00 C ATOM 1105 CD GLU A 66 -0.799 9.772 15.989 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -1.223 10.137 17.095 1.00 0.00 O ATOM 1107 OE2 GLU A 66 0.287 9.103 15.797 1.00 0.00 O ATOM 0 H GLU A 66 -4.353 9.212 12.303 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.396 9.061 12.446 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.496 9.125 14.571 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.148 8.030 14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.890 10.365 13.917 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.205 10.988 14.894 1.00 0.00 H new ATOM 1115 N THR A 67 -1.477 6.474 12.825 1.00 0.00 N ATOM 1116 CA THR A 67 -1.458 5.044 12.567 1.00 0.00 C ATOM 1117 C THR A 67 -1.337 4.267 13.879 1.00 0.00 C ATOM 1118 O THR A 67 -0.372 4.443 14.622 1.00 0.00 O ATOM 1119 CB THR A 67 -0.322 4.757 11.583 1.00 0.00 C ATOM 1120 OG1 THR A 67 -0.740 3.575 10.907 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.972 4.346 12.287 1.00 0.00 C ATOM 0 H THR A 67 -0.659 6.829 13.319 1.00 0.00 H new ATOM 0 HA THR A 67 -2.392 4.711 12.114 1.00 0.00 H new ATOM 0 HB THR A 67 -0.138 5.641 10.973 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.378 3.574 9.996 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.746 4.154 11.543 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.297 5.149 12.949 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.797 3.442 12.871 1.00 0.00 H new ATOM 1129 N ASP A 68 -2.329 3.424 14.124 1.00 0.00 N ATOM 1130 CA ASP A 68 -2.345 2.619 15.334 1.00 0.00 C ATOM 1131 C ASP A 68 -1.657 1.280 15.060 1.00 0.00 C ATOM 1132 O ASP A 68 -2.043 0.254 15.617 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.778 2.330 15.784 1.00 0.00 C ATOM 1134 CG ASP A 68 -4.023 2.461 17.289 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -3.199 3.028 18.022 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.127 1.943 17.709 1.00 0.00 O ATOM 0 H ASP A 68 -3.127 3.281 13.506 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.826 3.175 16.115 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.451 3.010 15.261 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.043 1.319 15.475 1.00 0.00 H new ATOM 1142 N LYS A 69 -0.649 1.334 14.201 1.00 0.00 N ATOM 1143 CA LYS A 69 0.096 0.138 13.846 1.00 0.00 C ATOM 1144 C LYS A 69 1.526 0.528 13.464 1.00 0.00 C ATOM 1145 O LYS A 69 1.733 1.300 12.529 1.00 0.00 O ATOM 1146 CB LYS A 69 -0.638 -0.648 12.758 1.00 0.00 C ATOM 1147 CG LYS A 69 -2.020 -1.093 13.242 1.00 0.00 C ATOM 1148 CD LYS A 69 -2.597 -2.177 12.329 1.00 0.00 C ATOM 1149 CE LYS A 69 -4.065 -2.450 12.664 1.00 0.00 C ATOM 1150 NZ LYS A 69 -4.670 -3.344 11.650 1.00 0.00 N ATOM 0 H LYS A 69 -0.331 2.187 13.741 1.00 0.00 H new ATOM 0 HA LYS A 69 0.166 -0.535 14.701 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.742 -0.031 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.049 -1.521 12.475 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.948 -1.472 14.262 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.694 -0.237 13.267 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.509 -1.866 11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.019 -3.095 12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.140 -2.906 13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.616 -1.510 12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.666 -3.519 11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.615 -2.894 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.154 -4.247 11.631 1.00 0.00 H new ATOM 1163 N GLY A 70 2.474 -0.023 14.207 1.00 0.00 N ATOM 1164 CA GLY A 70 3.878 0.257 13.958 1.00 0.00 C ATOM 1165 C GLY A 70 4.383 -0.514 12.737 1.00 0.00 C ATOM 1166 O GLY A 70 5.532 -0.353 12.328 1.00 0.00 O ATOM 0 H GLY A 70 2.298 -0.662 14.982 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.017 1.327 13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.468 -0.015 14.834 1.00 0.00 H new ATOM 1170 N HIS A 71 3.499 -1.334 12.188 1.00 0.00 N ATOM 1171 CA HIS A 71 3.840 -2.131 11.022 1.00 0.00 C ATOM 1172 C HIS A 71 3.589 -1.315 9.752 1.00 0.00 C ATOM 1173 O HIS A 71 3.936 -1.747 8.653 1.00 0.00 O ATOM 1174 CB HIS A 71 3.085 -3.461 11.032 1.00 0.00 C ATOM 1175 CG HIS A 71 3.256 -4.255 12.304 1.00 0.00 C ATOM 1176 ND1 HIS A 71 2.188 -4.786 13.006 1.00 0.00 N ATOM 1177 CD2 HIS A 71 4.381 -4.603 12.993 1.00 0.00 C ATOM 1178 CE1 HIS A 71 2.660 -5.423 14.068 1.00 0.00 C ATOM 1179 NE2 HIS A 71 4.019 -5.308 14.059 1.00 0.00 N ATOM 0 H HIS A 71 2.547 -1.464 12.529 1.00 0.00 H new ATOM 0 HA HIS A 71 4.900 -2.383 11.047 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.024 -3.266 10.878 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.423 -4.065 10.190 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.394 -4.348 12.718 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.072 -5.942 14.810 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.653 -5.699 14.756 1.00 0.00 H new ATOM 1187 N LEU A 72 2.987 -0.151 9.944 1.00 0.00 N ATOM 1188 CA LEU A 72 2.685 0.729 8.828 1.00 0.00 C ATOM 1189 C LEU A 72 3.670 1.900 8.826 1.00 0.00 C ATOM 1190 O LEU A 72 4.044 2.399 7.766 1.00 0.00 O ATOM 1191 CB LEU A 72 1.218 1.160 8.868 1.00 0.00 C ATOM 1192 CG LEU A 72 0.229 0.128 9.414 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -1.152 0.750 9.628 1.00 0.00 C ATOM 1194 CD2 LEU A 72 0.169 -1.104 8.509 1.00 0.00 C ATOM 0 H LEU A 72 2.700 0.204 10.856 1.00 0.00 H new ATOM 0 HA LEU A 72 2.813 0.203 7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.142 2.063 9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.911 1.428 7.857 1.00 0.00 H new ATOM 0 HG LEU A 72 0.586 -0.205 10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.835 -0.005 10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.075 1.571 10.341 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.532 1.129 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.541 -1.822 8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.151 -0.807 7.510 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.156 -1.562 8.452 1.00 0.00 H new ATOM 1206 N ILE A 73 4.063 2.304 10.025 1.00 0.00 N ATOM 1207 CA ILE A 73 4.997 3.406 10.175 1.00 0.00 C ATOM 1208 C ILE A 73 6.106 3.275 9.128 1.00 0.00 C ATOM 1209 O ILE A 73 6.411 4.232 8.419 1.00 0.00 O ATOM 1210 CB ILE A 73 5.515 3.478 11.613 1.00 0.00 C ATOM 1211 CG1 ILE A 73 4.624 4.378 12.471 1.00 0.00 C ATOM 1212 CG2 ILE A 73 6.979 3.921 11.647 1.00 0.00 C ATOM 1213 CD1 ILE A 73 5.395 4.926 13.674 1.00 0.00 C ATOM 0 H ILE A 73 3.751 1.887 10.902 1.00 0.00 H new ATOM 0 HA ILE A 73 4.496 4.357 9.993 1.00 0.00 H new ATOM 0 HB ILE A 73 5.472 2.477 12.043 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.248 5.205 11.868 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.757 3.815 12.816 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.322 3.964 12.681 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.588 3.208 11.092 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.071 4.908 11.193 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.739 5.563 14.267 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.749 4.097 14.288 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.247 5.509 13.325 1.00 0.00 H new ATOM 1225 N PRO A 74 6.692 2.050 9.063 1.00 0.00 N ATOM 1226 CA PRO A 74 7.760 1.781 8.115 1.00 0.00 C ATOM 1227 C PRO A 74 7.208 1.631 6.695 1.00 0.00 C ATOM 1228 O PRO A 74 7.666 2.304 5.773 1.00 0.00 O ATOM 1229 CB PRO A 74 8.433 0.518 8.627 1.00 0.00 C ATOM 1230 CG PRO A 74 7.435 -0.132 9.572 1.00 0.00 C ATOM 1231 CD PRO A 74 6.356 0.892 9.886 1.00 0.00 C ATOM 0 HA PRO A 74 8.478 2.599 8.047 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.685 -0.151 7.804 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.364 0.753 9.143 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.998 -1.019 9.114 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.931 -0.457 10.487 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.365 0.509 9.644 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.349 1.148 10.946 1.00 0.00 H new ATOM 1239 N MET A 75 6.233 0.744 6.565 1.00 0.00 N ATOM 1240 CA MET A 75 5.614 0.497 5.274 1.00 0.00 C ATOM 1241 C MET A 75 5.117 1.800 4.646 1.00 0.00 C ATOM 1242 O MET A 75 4.930 1.877 3.432 1.00 0.00 O ATOM 1243 CB MET A 75 4.439 -0.468 5.447 1.00 0.00 C ATOM 1244 CG MET A 75 4.910 -1.811 6.007 1.00 0.00 C ATOM 1245 SD MET A 75 6.092 -2.556 4.896 1.00 0.00 S ATOM 1246 CE MET A 75 5.149 -2.534 3.381 1.00 0.00 C ATOM 0 H MET A 75 5.856 0.187 7.332 1.00 0.00 H new ATOM 0 HA MET A 75 6.361 0.059 4.612 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.700 -0.030 6.117 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.947 -0.623 4.487 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.362 -1.667 6.988 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.058 -2.476 6.144 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.288 -3.477 2.852 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.092 -2.400 3.612 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.490 -1.711 2.752 1.00 0.00 H new ATOM 1256 N LEU A 76 4.917 2.793 5.500 1.00 0.00 N ATOM 1257 CA LEU A 76 4.445 4.089 5.044 1.00 0.00 C ATOM 1258 C LEU A 76 5.595 4.835 4.364 1.00 0.00 C ATOM 1259 O LEU A 76 5.399 5.478 3.333 1.00 0.00 O ATOM 1260 CB LEU A 76 3.807 4.864 6.199 1.00 0.00 C ATOM 1261 CG LEU A 76 2.282 4.795 6.291 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.768 5.597 7.488 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.632 5.242 4.980 1.00 0.00 C ATOM 0 H LEU A 76 5.073 2.726 6.506 1.00 0.00 H new ATOM 0 HA LEU A 76 3.658 3.968 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.225 4.492 7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.099 5.911 6.113 1.00 0.00 H new ATOM 0 HG LEU A 76 1.997 3.756 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.681 5.531 7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.192 5.192 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.065 6.640 7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.548 5.183 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.922 6.270 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.962 4.592 4.170 1.00 0.00 H new ATOM 1275 N GLU A 77 6.769 4.725 4.968 1.00 0.00 N ATOM 1276 CA GLU A 77 7.950 5.381 4.433 1.00 0.00 C ATOM 1277 C GLU A 77 8.265 4.850 3.033 1.00 0.00 C ATOM 1278 O GLU A 77 8.436 5.626 2.095 1.00 0.00 O ATOM 1279 CB GLU A 77 9.147 5.202 5.369 1.00 0.00 C ATOM 1280 CG GLU A 77 9.376 6.458 6.213 1.00 0.00 C ATOM 1281 CD GLU A 77 10.208 7.489 5.447 1.00 0.00 C ATOM 1282 OE1 GLU A 77 9.667 8.221 4.605 1.00 0.00 O ATOM 1283 OE2 GLU A 77 11.461 7.514 5.753 1.00 0.00 O ATOM 0 H GLU A 77 6.928 4.191 5.823 1.00 0.00 H new ATOM 0 HA GLU A 77 7.745 6.449 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.977 4.346 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.041 4.984 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.416 6.894 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.885 6.190 7.139 1.00 0.00 H new ATOM 1291 N LYS A 78 8.331 3.530 2.937 1.00 0.00 N ATOM 1292 CA LYS A 78 8.622 2.886 1.667 1.00 0.00 C ATOM 1293 C LYS A 78 7.503 3.201 0.673 1.00 0.00 C ATOM 1294 O LYS A 78 7.754 3.768 -0.390 1.00 0.00 O ATOM 1295 CB LYS A 78 8.862 1.389 1.869 1.00 0.00 C ATOM 1296 CG LYS A 78 7.919 0.560 0.994 1.00 0.00 C ATOM 1297 CD LYS A 78 8.344 -0.910 0.971 1.00 0.00 C ATOM 1298 CE LYS A 78 9.205 -1.213 -0.257 1.00 0.00 C ATOM 1299 NZ LYS A 78 8.926 -2.575 -0.763 1.00 0.00 N ATOM 0 H LYS A 78 8.188 2.889 3.718 1.00 0.00 H new ATOM 0 HA LYS A 78 9.546 3.279 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.897 1.147 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.712 1.131 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.900 0.642 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.915 0.957 -0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.902 -1.145 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.460 -1.548 0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.004 -0.480 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.260 -1.124 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.752 -3.184 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.100 -2.967 -0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.729 -2.533 -1.783 1.00 0.00 H new ATOM 1312 N ILE A 79 6.292 2.820 1.052 1.00 0.00 N ATOM 1313 CA ILE A 79 5.134 3.055 0.207 1.00 0.00 C ATOM 1314 C ILE A 79 5.089 4.532 -0.190 1.00 0.00 C ATOM 1315 O ILE A 79 4.964 4.858 -1.370 1.00 0.00 O ATOM 1316 CB ILE A 79 3.859 2.564 0.896 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.876 1.043 1.060 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.613 3.047 0.151 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.885 0.597 2.138 1.00 0.00 C ATOM 0 H ILE A 79 6.088 2.350 1.934 1.00 0.00 H new ATOM 0 HA ILE A 79 5.212 2.479 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 79 3.823 2.995 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.625 0.568 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.880 0.713 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.721 2.684 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.601 4.137 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.628 2.664 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.917 -0.488 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.153 1.054 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.878 0.907 1.857 1.00 0.00 H new ATOM 1331 N ARG A 80 5.193 5.386 0.817 1.00 0.00 N ATOM 1332 CA ARG A 80 5.165 6.821 0.588 1.00 0.00 C ATOM 1333 C ARG A 80 6.083 7.189 -0.579 1.00 0.00 C ATOM 1334 O ARG A 80 5.685 7.931 -1.476 1.00 0.00 O ATOM 1335 CB ARG A 80 5.607 7.586 1.837 1.00 0.00 C ATOM 1336 CG ARG A 80 5.809 9.071 1.527 1.00 0.00 C ATOM 1337 CD ARG A 80 7.276 9.472 1.699 1.00 0.00 C ATOM 1338 NE ARG A 80 7.468 10.139 3.006 1.00 0.00 N ATOM 1339 CZ ARG A 80 8.460 11.016 3.270 1.00 0.00 C ATOM 1340 NH1 ARG A 80 9.359 11.341 2.316 1.00 0.00 N ATOM 1341 NH2 ARG A 80 8.537 11.552 4.474 1.00 0.00 N ATOM 0 H ARG A 80 5.297 5.112 1.794 1.00 0.00 H new ATOM 0 HA ARG A 80 4.139 7.100 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.858 7.473 2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.535 7.161 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.488 9.280 0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.184 9.672 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.913 8.590 1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.576 10.141 0.892 1.00 0.00 H new ATOM 0 HE ARG A 80 6.810 9.923 3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.291 10.923 1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.105 12.004 2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.853 11.302 5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.280 12.216 4.690 1.00 0.00 H new ATOM 1354 N ARG A 81 7.294 6.654 -0.530 1.00 0.00 N ATOM 1355 CA ARG A 81 8.271 6.918 -1.573 1.00 0.00 C ATOM 1356 C ARG A 81 7.636 6.740 -2.953 1.00 0.00 C ATOM 1357 O ARG A 81 7.633 7.665 -3.763 1.00 0.00 O ATOM 1358 CB ARG A 81 9.475 5.982 -1.448 1.00 0.00 C ATOM 1359 CG ARG A 81 10.767 6.694 -1.854 1.00 0.00 C ATOM 1360 CD ARG A 81 11.611 5.814 -2.779 1.00 0.00 C ATOM 1361 NE ARG A 81 13.037 5.892 -2.391 1.00 0.00 N ATOM 1362 CZ ARG A 81 14.032 5.243 -3.031 1.00 0.00 C ATOM 1363 NH1 ARG A 81 13.764 4.460 -4.099 1.00 0.00 N ATOM 1364 NH2 ARG A 81 15.271 5.384 -2.598 1.00 0.00 N ATOM 0 H ARG A 81 7.621 6.039 0.215 1.00 0.00 H new ATOM 0 HA ARG A 81 8.611 7.947 -1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.559 5.626 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.325 5.105 -2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.527 7.631 -2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.342 6.948 -0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.267 4.781 -2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.489 6.137 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 81 13.283 6.473 -1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.804 4.356 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.522 3.973 -4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.465 5.977 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.035 4.900 -3.071 1.00 0.00 H new ATOM 1377 N ALA A 82 7.114 5.543 -3.179 1.00 0.00 N ATOM 1378 CA ALA A 82 6.477 5.232 -4.447 1.00 0.00 C ATOM 1379 C ALA A 82 5.259 6.137 -4.637 1.00 0.00 C ATOM 1380 O ALA A 82 4.928 6.511 -5.761 1.00 0.00 O ATOM 1381 CB ALA A 82 6.111 3.747 -4.484 1.00 0.00 C ATOM 0 H ALA A 82 7.119 4.777 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 82 7.160 5.420 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.633 3.514 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.014 3.147 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.425 3.521 -3.668 1.00 0.00 H new TER 1387 ALA A 82