USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 22 THR OG1 : rot -103:sc= 1.6 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.68 K(o=3.3,f=-1.3) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 2 GLN : amide:sc= -0.143 K(o=-0.14,f=0.36) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.302 USER MOD Single : A 20 SER OG : rot -33:sc= 0.399 USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= 2.19 (180deg=-0.169) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.4 K(o=1.4,f=-0.021) USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= 0.747 (180deg=-0.176) USER MOD Single : A 40 GLN : amide:sc=-0.00179 K(o=-0.0018,f=-0.84) USER MOD Single : A 41 ASN : amide:sc= -0.878 X(o=-0.88,f=-0.52) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -41:sc= 1.17 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.691 K(o=-0.69,f=-0.062) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 73:sc= 1.38 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0376 K(o=0.038,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.133 -12.393 6.013 1.00 0.00 N ATOM 21 CA GLN A 2 -3.089 -11.369 5.933 1.00 0.00 C ATOM 22 C GLN A 2 -2.809 -10.900 4.495 1.00 0.00 C ATOM 23 O GLN A 2 -3.097 -11.611 3.527 1.00 0.00 O ATOM 24 CB GLN A 2 -1.800 -11.874 6.610 1.00 0.00 C ATOM 25 CG GLN A 2 -1.957 -12.218 8.103 1.00 0.00 C ATOM 26 CD GLN A 2 -2.251 -13.698 8.341 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.336 -14.199 8.048 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.282 -14.462 8.794 1.00 0.00 N ATOM 0 HA GLN A 2 -3.459 -10.494 6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.449 -12.760 6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.027 -11.113 6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.045 -11.944 8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.763 -11.619 8.526 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.381 -14.052 9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.431 -15.465 8.901 1.00 0.00 H new ATOM 37 N ILE A 3 -2.186 -9.725 4.382 1.00 0.00 N ATOM 38 CA ILE A 3 -1.596 -9.170 3.150 1.00 0.00 C ATOM 39 C ILE A 3 -0.139 -8.752 3.421 1.00 0.00 C ATOM 40 O ILE A 3 0.225 -8.486 4.572 1.00 0.00 O ATOM 41 CB ILE A 3 -2.437 -7.993 2.595 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.431 -6.764 3.536 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.869 -8.451 2.262 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.186 -5.535 3.009 1.00 0.00 C ATOM 0 H ILE A 3 -2.071 -9.101 5.181 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.600 -9.942 2.380 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.964 -7.668 1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.866 -7.056 4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.397 -6.480 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.440 -7.607 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.833 -9.241 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.349 -8.830 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.123 -4.729 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.740 -5.209 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.232 -5.794 2.843 1.00 0.00 H new ATOM 56 N PHE A 4 0.681 -8.697 2.367 1.00 0.00 N ATOM 57 CA PHE A 4 2.119 -8.434 2.450 1.00 0.00 C ATOM 58 C PHE A 4 2.541 -7.178 1.680 1.00 0.00 C ATOM 59 O PHE A 4 2.008 -6.919 0.603 1.00 0.00 O ATOM 60 CB PHE A 4 2.897 -9.658 1.947 1.00 0.00 C ATOM 61 CG PHE A 4 2.631 -10.941 2.716 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.101 -11.094 4.035 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.915 -11.989 2.107 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.851 -12.286 4.739 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.670 -13.183 2.811 1.00 0.00 C ATOM 66 CZ PHE A 4 2.132 -13.330 4.128 1.00 0.00 C ATOM 0 H PHE A 4 0.355 -8.837 1.411 1.00 0.00 H new ATOM 0 HA PHE A 4 2.355 -8.248 3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.651 -9.822 0.898 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.963 -9.437 1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.654 -10.295 4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.552 -11.876 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.212 -12.400 5.751 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.126 -13.987 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.936 -14.243 4.671 1.00 0.00 H new ATOM 76 N VAL A 5 3.538 -6.441 2.179 1.00 0.00 N ATOM 77 CA VAL A 5 4.198 -5.326 1.471 1.00 0.00 C ATOM 78 C VAL A 5 5.675 -5.614 1.198 1.00 0.00 C ATOM 79 O VAL A 5 6.393 -6.075 2.087 1.00 0.00 O ATOM 80 CB VAL A 5 4.012 -3.957 2.158 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.455 -2.801 1.250 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.564 -3.704 2.600 1.00 0.00 C ATOM 0 H VAL A 5 3.922 -6.603 3.110 1.00 0.00 H new ATOM 0 HA VAL A 5 3.686 -5.254 0.511 1.00 0.00 H new ATOM 0 HB VAL A 5 4.645 -3.993 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.309 -1.854 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.509 -2.918 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.862 -2.809 0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.495 -2.726 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.908 -3.731 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.260 -4.475 3.308 1.00 0.00 H new ATOM 92 N LYS A 6 6.136 -5.301 -0.020 1.00 0.00 N ATOM 93 CA LYS A 6 7.520 -5.437 -0.491 1.00 0.00 C ATOM 94 C LYS A 6 8.163 -4.056 -0.481 1.00 0.00 C ATOM 95 O LYS A 6 7.873 -3.248 -1.361 1.00 0.00 O ATOM 96 CB LYS A 6 7.476 -6.073 -1.899 1.00 0.00 C ATOM 97 CG LYS A 6 8.736 -5.950 -2.779 1.00 0.00 C ATOM 98 CD LYS A 6 9.900 -6.848 -2.305 1.00 0.00 C ATOM 99 CE LYS A 6 10.981 -6.983 -3.398 1.00 0.00 C ATOM 100 NZ LYS A 6 11.723 -8.274 -3.335 1.00 0.00 N ATOM 0 H LYS A 6 5.520 -4.926 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 6 8.122 -6.082 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.251 -7.133 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.642 -5.628 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.480 -6.210 -3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.067 -4.911 -2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.343 -6.428 -1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.518 -7.835 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.512 -6.889 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.689 -6.160 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.434 -8.303 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.197 -8.357 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.057 -9.064 -3.454 1.00 0.00 H new ATOM 114 N THR A 7 9.009 -3.761 0.505 1.00 0.00 N ATOM 115 CA THR A 7 9.863 -2.567 0.458 1.00 0.00 C ATOM 116 C THR A 7 11.065 -2.695 -0.481 1.00 0.00 C ATOM 117 O THR A 7 11.477 -3.802 -0.833 1.00 0.00 O ATOM 118 CB THR A 7 10.247 -1.999 1.842 1.00 0.00 C ATOM 119 OG1 THR A 7 11.484 -2.519 2.272 1.00 0.00 O ATOM 120 CG2 THR A 7 9.228 -2.251 2.952 1.00 0.00 C ATOM 0 H THR A 7 9.124 -4.328 1.345 1.00 0.00 H new ATOM 0 HA THR A 7 9.217 -1.812 0.009 1.00 0.00 H new ATOM 0 HB THR A 7 10.292 -0.922 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.709 -2.145 3.150 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.589 -1.814 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.276 -1.795 2.682 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.091 -3.324 3.084 1.00 0.00 H new ATOM 128 N LEU A 8 11.658 -1.557 -0.858 1.00 0.00 N ATOM 129 CA LEU A 8 12.912 -1.512 -1.623 1.00 0.00 C ATOM 130 C LEU A 8 14.055 -2.204 -0.858 1.00 0.00 C ATOM 131 O LEU A 8 14.886 -2.870 -1.464 1.00 0.00 O ATOM 132 CB LEU A 8 13.305 -0.054 -1.925 1.00 0.00 C ATOM 133 CG LEU A 8 12.427 0.677 -2.959 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.089 1.153 -2.382 1.00 0.00 C ATOM 135 CD2 LEU A 8 13.172 1.913 -3.464 1.00 0.00 C ATOM 0 H LEU A 8 11.280 -0.635 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 8 12.747 -2.044 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.280 0.510 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.336 -0.041 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 8 12.222 -0.039 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.517 1.660 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.524 0.295 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.273 1.843 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.556 2.435 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.383 2.578 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.109 1.608 -3.930 1.00 0.00 H new ATOM 147 N THR A 9 14.048 -2.102 0.474 1.00 0.00 N ATOM 148 CA THR A 9 14.958 -2.780 1.408 1.00 0.00 C ATOM 149 C THR A 9 14.838 -4.308 1.502 1.00 0.00 C ATOM 150 O THR A 9 15.449 -4.924 2.370 1.00 0.00 O ATOM 151 CB THR A 9 14.928 -2.136 2.818 1.00 0.00 C ATOM 152 OG1 THR A 9 14.288 -0.871 2.821 1.00 0.00 O ATOM 153 CG2 THR A 9 16.331 -1.950 3.392 1.00 0.00 C ATOM 0 H THR A 9 13.371 -1.512 0.958 1.00 0.00 H new ATOM 0 HA THR A 9 15.934 -2.619 0.951 1.00 0.00 H new ATOM 0 HB THR A 9 14.362 -2.833 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.291 -0.505 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.262 -1.496 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.823 -2.919 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.910 -1.302 2.734 1.00 0.00 H new ATOM 161 N GLY A 10 13.983 -4.928 0.680 1.00 0.00 N ATOM 162 CA GLY A 10 13.690 -6.367 0.707 1.00 0.00 C ATOM 163 C GLY A 10 12.853 -6.835 1.906 1.00 0.00 C ATOM 164 O GLY A 10 12.543 -8.019 1.998 1.00 0.00 O ATOM 0 H GLY A 10 13.462 -4.430 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.164 -6.633 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.632 -6.915 0.705 1.00 0.00 H new ATOM 168 N LYS A 11 12.461 -5.930 2.814 1.00 0.00 N ATOM 169 CA LYS A 11 11.667 -6.245 4.010 1.00 0.00 C ATOM 170 C LYS A 11 10.260 -6.724 3.632 1.00 0.00 C ATOM 171 O LYS A 11 9.477 -5.959 3.067 1.00 0.00 O ATOM 172 CB LYS A 11 11.581 -5.015 4.934 1.00 0.00 C ATOM 173 CG LYS A 11 12.901 -4.567 5.590 1.00 0.00 C ATOM 174 CD LYS A 11 13.239 -5.353 6.867 1.00 0.00 C ATOM 175 CE LYS A 11 14.369 -4.652 7.636 1.00 0.00 C ATOM 176 NZ LYS A 11 14.527 -5.211 8.999 1.00 0.00 N ATOM 0 H LYS A 11 12.691 -4.939 2.736 1.00 0.00 H new ATOM 0 HA LYS A 11 12.167 -7.054 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.184 -4.180 4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.861 -5.229 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.714 -4.684 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.838 -3.506 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.354 -5.433 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.540 -6.368 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.305 -4.759 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.158 -3.585 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.298 -4.715 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.642 -5.087 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.753 -6.224 8.935 1.00 0.00 H new ATOM 190 N THR A 12 9.935 -7.960 4.006 1.00 0.00 N ATOM 191 CA THR A 12 8.567 -8.505 4.023 1.00 0.00 C ATOM 192 C THR A 12 7.710 -7.985 5.175 1.00 0.00 C ATOM 193 O THR A 12 7.815 -8.486 6.294 1.00 0.00 O ATOM 194 CB THR A 12 8.537 -10.048 3.955 1.00 0.00 C ATOM 195 OG1 THR A 12 9.601 -10.550 3.174 1.00 0.00 O ATOM 196 CG2 THR A 12 7.228 -10.559 3.356 1.00 0.00 C ATOM 0 H THR A 12 10.633 -8.635 4.316 1.00 0.00 H new ATOM 0 HA THR A 12 8.111 -8.128 3.108 1.00 0.00 H new ATOM 0 HB THR A 12 8.633 -10.400 4.982 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.557 -11.529 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.243 -11.648 3.324 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.392 -10.226 3.971 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.113 -10.168 2.345 1.00 0.00 H new ATOM 204 N ILE A 13 6.884 -6.965 4.938 1.00 0.00 N ATOM 205 CA ILE A 13 5.954 -6.443 5.956 1.00 0.00 C ATOM 206 C ILE A 13 4.649 -7.243 5.909 1.00 0.00 C ATOM 207 O ILE A 13 4.067 -7.380 4.835 1.00 0.00 O ATOM 208 CB ILE A 13 5.663 -4.936 5.776 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.864 -4.089 5.296 1.00 0.00 C ATOM 210 CG2 ILE A 13 5.045 -4.349 7.059 1.00 0.00 C ATOM 211 CD1 ILE A 13 8.071 -4.077 6.245 1.00 0.00 C ATOM 0 H ILE A 13 6.836 -6.476 4.044 1.00 0.00 H new ATOM 0 HA ILE A 13 6.430 -6.558 6.930 1.00 0.00 H new ATOM 0 HB ILE A 13 4.943 -4.877 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.188 -4.463 4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.529 -3.063 5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.847 -3.287 6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.111 -4.865 7.282 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.739 -4.479 7.889 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.861 -3.457 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.770 -3.672 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.440 -5.094 6.377 1.00 0.00 H new ATOM 223 N THR A 14 4.158 -7.711 7.059 1.00 0.00 N ATOM 224 CA THR A 14 2.839 -8.360 7.207 1.00 0.00 C ATOM 225 C THR A 14 1.793 -7.484 7.891 1.00 0.00 C ATOM 226 O THR A 14 2.095 -6.841 8.896 1.00 0.00 O ATOM 227 CB THR A 14 2.909 -9.763 7.844 1.00 0.00 C ATOM 228 OG1 THR A 14 4.026 -10.482 7.373 1.00 0.00 O ATOM 229 CG2 THR A 14 1.661 -10.595 7.556 1.00 0.00 C ATOM 0 H THR A 14 4.673 -7.651 7.937 1.00 0.00 H new ATOM 0 HA THR A 14 2.498 -8.500 6.181 1.00 0.00 H new ATOM 0 HB THR A 14 2.989 -9.596 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.862 -10.774 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.760 -11.574 8.026 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.784 -10.087 7.957 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.547 -10.720 6.479 1.00 0.00 H new ATOM 237 N LEU A 15 0.560 -7.472 7.374 1.00 0.00 N ATOM 238 CA LEU A 15 -0.586 -6.766 7.964 1.00 0.00 C ATOM 239 C LEU A 15 -1.749 -7.730 8.245 1.00 0.00 C ATOM 240 O LEU A 15 -2.059 -8.610 7.441 1.00 0.00 O ATOM 241 CB LEU A 15 -1.011 -5.607 7.042 1.00 0.00 C ATOM 242 CG LEU A 15 -0.013 -4.435 7.012 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.283 -3.543 5.798 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.114 -3.563 8.268 1.00 0.00 C ATOM 0 H LEU A 15 0.324 -7.965 6.513 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.288 -6.348 8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.138 -5.989 6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.983 -5.235 7.366 1.00 0.00 H new ATOM 0 HG LEU A 15 0.984 -4.872 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.429 -2.718 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.174 -4.128 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.297 -3.147 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.608 -2.749 8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.120 -3.151 8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.099 -4.168 9.149 1.00 0.00 H new ATOM 256 N GLU A 16 -2.393 -7.538 9.395 1.00 0.00 N ATOM 257 CA GLU A 16 -3.478 -8.374 9.926 1.00 0.00 C ATOM 258 C GLU A 16 -4.772 -7.535 9.935 1.00 0.00 C ATOM 259 O GLU A 16 -5.054 -6.811 10.885 1.00 0.00 O ATOM 260 CB GLU A 16 -3.029 -8.948 11.293 1.00 0.00 C ATOM 261 CG GLU A 16 -4.021 -9.916 11.968 1.00 0.00 C ATOM 262 CD GLU A 16 -3.374 -10.821 13.046 1.00 0.00 C ATOM 263 OE1 GLU A 16 -2.219 -11.291 12.871 1.00 0.00 O ATOM 264 OE2 GLU A 16 -4.028 -11.104 14.080 1.00 0.00 O ATOM 0 H GLU A 16 -2.165 -6.760 10.014 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.700 -9.244 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.080 -9.467 11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.842 -8.116 11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.824 -9.338 12.426 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.477 -10.546 11.204 1.00 0.00 H new ATOM 271 N VAL A 17 -5.499 -7.550 8.810 1.00 0.00 N ATOM 272 CA VAL A 17 -6.661 -6.690 8.505 1.00 0.00 C ATOM 273 C VAL A 17 -7.830 -7.499 7.925 1.00 0.00 C ATOM 274 O VAL A 17 -7.628 -8.603 7.423 1.00 0.00 O ATOM 275 CB VAL A 17 -6.285 -5.504 7.585 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.086 -4.706 8.109 1.00 0.00 C ATOM 277 CG2 VAL A 17 -5.970 -5.928 6.143 1.00 0.00 C ATOM 0 H VAL A 17 -5.286 -8.193 8.047 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.993 -6.266 9.453 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.178 -4.878 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.867 -3.887 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.320 -4.303 9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.217 -5.360 8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.714 -5.048 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.129 -6.622 6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.843 -6.416 5.708 1.00 0.00 H new ATOM 287 N GLU A 18 -9.060 -6.972 7.977 1.00 0.00 N ATOM 288 CA GLU A 18 -10.236 -7.658 7.413 1.00 0.00 C ATOM 289 C GLU A 18 -10.451 -7.249 5.935 1.00 0.00 C ATOM 290 O GLU A 18 -10.343 -6.066 5.618 1.00 0.00 O ATOM 291 CB GLU A 18 -11.488 -7.392 8.273 1.00 0.00 C ATOM 292 CG GLU A 18 -11.311 -7.871 9.726 1.00 0.00 C ATOM 293 CD GLU A 18 -12.634 -8.138 10.480 1.00 0.00 C ATOM 294 OE1 GLU A 18 -13.390 -9.083 10.142 1.00 0.00 O ATOM 295 OE2 GLU A 18 -12.911 -7.452 11.498 1.00 0.00 O ATOM 0 H GLU A 18 -9.270 -6.070 8.405 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.054 -8.733 7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.709 -6.325 8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.346 -7.897 7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.718 -8.786 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.740 -7.122 10.275 1.00 0.00 H new ATOM 302 N PRO A 19 -10.804 -8.163 5.003 1.00 0.00 N ATOM 303 CA PRO A 19 -11.006 -7.850 3.574 1.00 0.00 C ATOM 304 C PRO A 19 -12.172 -6.884 3.282 1.00 0.00 C ATOM 305 O PRO A 19 -12.314 -6.437 2.142 1.00 0.00 O ATOM 306 CB PRO A 19 -11.228 -9.212 2.901 1.00 0.00 C ATOM 307 CG PRO A 19 -11.820 -10.070 4.018 1.00 0.00 C ATOM 308 CD PRO A 19 -11.057 -9.575 5.242 1.00 0.00 C ATOM 0 HA PRO A 19 -10.139 -7.314 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.907 -9.134 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.295 -9.631 2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.895 -9.921 4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -11.661 -11.134 3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.640 -9.720 6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.124 -10.124 5.370 1.00 0.00 H new ATOM 316 N SER A 20 -12.991 -6.565 4.290 1.00 0.00 N ATOM 317 CA SER A 20 -14.044 -5.550 4.213 1.00 0.00 C ATOM 318 C SER A 20 -13.553 -4.127 4.534 1.00 0.00 C ATOM 319 O SER A 20 -14.323 -3.188 4.338 1.00 0.00 O ATOM 320 CB SER A 20 -15.188 -5.929 5.159 1.00 0.00 C ATOM 321 OG SER A 20 -16.331 -5.141 4.887 1.00 0.00 O ATOM 0 H SER A 20 -12.938 -7.017 5.203 1.00 0.00 H new ATOM 0 HA SER A 20 -14.387 -5.531 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.430 -6.985 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.876 -5.785 6.194 1.00 0.00 H new ATOM 0 HG SER A 20 -16.051 -4.251 4.588 1.00 0.00 H new ATOM 327 N ASP A 21 -12.324 -3.939 5.034 1.00 0.00 N ATOM 328 CA ASP A 21 -11.749 -2.600 5.215 1.00 0.00 C ATOM 329 C ASP A 21 -11.571 -1.776 3.930 1.00 0.00 C ATOM 330 O ASP A 21 -11.267 -2.286 2.843 1.00 0.00 O ATOM 331 CB ASP A 21 -10.470 -2.604 6.092 1.00 0.00 C ATOM 332 CG ASP A 21 -10.666 -2.207 7.566 1.00 0.00 C ATOM 333 OD1 ASP A 21 -11.726 -1.625 7.904 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.694 -2.340 8.343 1.00 0.00 O ATOM 0 H ASP A 21 -11.708 -4.700 5.321 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.522 -2.068 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.033 -3.602 6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.744 -1.924 5.646 1.00 0.00 H new ATOM 339 N THR A 22 -11.746 -0.460 4.079 1.00 0.00 N ATOM 340 CA THR A 22 -11.389 0.522 3.050 1.00 0.00 C ATOM 341 C THR A 22 -9.901 0.557 2.703 1.00 0.00 C ATOM 342 O THR A 22 -9.046 0.220 3.528 1.00 0.00 O ATOM 343 CB THR A 22 -11.964 1.934 3.278 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.013 2.752 3.916 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.256 1.997 4.093 1.00 0.00 C ATOM 0 H THR A 22 -12.142 -0.043 4.922 1.00 0.00 H new ATOM 0 HA THR A 22 -11.897 0.139 2.165 1.00 0.00 H new ATOM 0 HB THR A 22 -12.208 2.285 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.245 2.845 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.573 3.035 4.193 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.035 1.428 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.083 1.573 5.082 1.00 0.00 H new ATOM 353 N ILE A 23 -9.568 1.028 1.503 1.00 0.00 N ATOM 354 CA ILE A 23 -8.175 1.275 1.120 1.00 0.00 C ATOM 355 C ILE A 23 -7.479 2.255 2.086 1.00 0.00 C ATOM 356 O ILE A 23 -6.300 2.063 2.404 1.00 0.00 O ATOM 357 CB ILE A 23 -8.141 1.767 -0.341 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.599 0.692 -1.355 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.748 2.278 -0.728 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.796 -0.619 -1.346 1.00 0.00 C ATOM 0 H ILE A 23 -10.246 1.248 0.774 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.611 0.345 1.191 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.854 2.590 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.645 0.457 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.550 1.119 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.760 2.617 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.471 3.108 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.022 1.473 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.202 -1.300 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.752 -0.408 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.864 -1.081 -0.361 1.00 0.00 H new ATOM 372 N GLU A 24 -8.193 3.263 2.600 1.00 0.00 N ATOM 373 CA GLU A 24 -7.612 4.243 3.522 1.00 0.00 C ATOM 374 C GLU A 24 -7.532 3.731 4.970 1.00 0.00 C ATOM 375 O GLU A 24 -6.582 4.056 5.679 1.00 0.00 O ATOM 376 CB GLU A 24 -8.314 5.607 3.384 1.00 0.00 C ATOM 377 CG GLU A 24 -7.358 6.777 3.704 1.00 0.00 C ATOM 378 CD GLU A 24 -6.159 6.902 2.740 1.00 0.00 C ATOM 379 OE1 GLU A 24 -6.098 6.175 1.721 1.00 0.00 O ATOM 380 OE2 GLU A 24 -5.237 7.699 3.010 1.00 0.00 O ATOM 0 H GLU A 24 -9.179 3.421 2.391 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.572 4.394 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.698 5.718 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.172 5.644 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.924 7.708 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.981 6.655 4.719 1.00 0.00 H new ATOM 387 N ASN A 25 -8.423 2.821 5.386 1.00 0.00 N ATOM 388 CA ASN A 25 -8.328 2.117 6.667 1.00 0.00 C ATOM 389 C ASN A 25 -6.983 1.381 6.802 1.00 0.00 C ATOM 390 O ASN A 25 -6.302 1.470 7.825 1.00 0.00 O ATOM 391 CB ASN A 25 -9.505 1.144 6.809 1.00 0.00 C ATOM 392 CG ASN A 25 -10.829 1.820 7.108 1.00 0.00 C ATOM 393 OD1 ASN A 25 -11.157 2.896 6.631 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.674 1.159 7.847 1.00 0.00 N ATOM 0 H ASN A 25 -9.238 2.552 4.835 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.376 2.850 7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.602 0.569 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.283 0.434 7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.603 1.540 8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.406 0.260 8.248 1.00 0.00 H new ATOM 401 N VAL A 26 -6.557 0.694 5.740 1.00 0.00 N ATOM 402 CA VAL A 26 -5.239 0.037 5.668 1.00 0.00 C ATOM 403 C VAL A 26 -4.086 1.047 5.593 1.00 0.00 C ATOM 404 O VAL A 26 -3.077 0.873 6.282 1.00 0.00 O ATOM 405 CB VAL A 26 -5.184 -0.936 4.484 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.868 -1.724 4.428 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.330 -1.953 4.556 1.00 0.00 C ATOM 0 H VAL A 26 -7.117 0.574 4.896 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.111 -0.525 6.593 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.269 -0.317 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.883 -2.397 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.033 -1.031 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.752 -2.304 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.268 -2.631 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.252 -2.524 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.285 -1.428 4.533 1.00 0.00 H new ATOM 417 N LYS A 27 -4.254 2.145 4.836 1.00 0.00 N ATOM 418 CA LYS A 27 -3.293 3.260 4.780 1.00 0.00 C ATOM 419 C LYS A 27 -3.100 3.942 6.137 1.00 0.00 C ATOM 420 O LYS A 27 -2.054 4.547 6.331 1.00 0.00 O ATOM 421 CB LYS A 27 -3.733 4.310 3.745 1.00 0.00 C ATOM 422 CG LYS A 27 -2.656 4.606 2.694 1.00 0.00 C ATOM 423 CD LYS A 27 -2.700 3.645 1.494 1.00 0.00 C ATOM 424 CE LYS A 27 -3.969 3.754 0.635 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.225 5.127 0.142 1.00 0.00 N ATOM 0 H LYS A 27 -5.070 2.285 4.240 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.339 2.824 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.636 3.961 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.992 5.234 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.777 5.629 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.674 4.547 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.832 3.833 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.612 2.622 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.882 3.080 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.826 3.420 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.026 5.539 0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.378 5.713 0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.451 5.095 -0.873 1.00 0.00 H new ATOM 439 N ALA A 28 -4.057 3.840 7.059 1.00 0.00 N ATOM 440 CA ALA A 28 -3.895 4.257 8.455 1.00 0.00 C ATOM 441 C ALA A 28 -3.189 3.180 9.306 1.00 0.00 C ATOM 442 O ALA A 28 -2.138 3.441 9.899 1.00 0.00 O ATOM 443 CB ALA A 28 -5.268 4.639 9.024 1.00 0.00 C ATOM 0 H ALA A 28 -4.981 3.460 6.856 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.243 5.130 8.491 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.158 4.951 10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.688 5.459 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.935 3.779 8.972 1.00 0.00 H new ATOM 449 N LYS A 29 -3.704 1.937 9.308 1.00 0.00 N ATOM 450 CA LYS A 29 -3.161 0.817 10.111 1.00 0.00 C ATOM 451 C LYS A 29 -1.667 0.540 9.880 1.00 0.00 C ATOM 452 O LYS A 29 -0.973 0.100 10.794 1.00 0.00 O ATOM 453 CB LYS A 29 -3.983 -0.466 9.867 1.00 0.00 C ATOM 454 CG LYS A 29 -5.398 -0.423 10.476 1.00 0.00 C ATOM 455 CD LYS A 29 -6.168 -1.714 10.139 1.00 0.00 C ATOM 456 CE LYS A 29 -7.662 -1.672 10.494 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.909 -1.403 11.931 1.00 0.00 N ATOM 0 H LYS A 29 -4.516 1.676 8.749 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.250 1.130 11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.065 -0.635 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.444 -1.317 10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.332 -0.303 11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.940 0.442 10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.066 -1.916 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.705 -2.547 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.150 -0.902 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.121 -2.623 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.933 -1.386 12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.469 -2.151 12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.498 -0.483 12.188 1.00 0.00 H new ATOM 471 N ILE A 30 -1.146 0.817 8.681 1.00 0.00 N ATOM 472 CA ILE A 30 0.276 0.614 8.360 1.00 0.00 C ATOM 473 C ILE A 30 1.219 1.566 9.126 1.00 0.00 C ATOM 474 O ILE A 30 2.360 1.184 9.407 1.00 0.00 O ATOM 475 CB ILE A 30 0.479 0.700 6.834 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.820 0.047 6.453 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.385 2.136 6.305 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.042 -0.047 4.937 1.00 0.00 C ATOM 0 H ILE A 30 -1.694 1.188 7.905 1.00 0.00 H new ATOM 0 HA ILE A 30 0.551 -0.385 8.699 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.334 0.152 6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.634 0.620 6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.863 -0.954 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.536 2.137 5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.599 2.545 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.152 2.749 6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.005 -0.517 4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.248 -0.645 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.031 0.954 4.505 1.00 0.00 H new ATOM 490 N GLN A 31 0.783 2.778 9.499 1.00 0.00 N ATOM 491 CA GLN A 31 1.583 3.617 10.398 1.00 0.00 C ATOM 492 C GLN A 31 1.633 3.028 11.813 1.00 0.00 C ATOM 493 O GLN A 31 2.709 2.913 12.386 1.00 0.00 O ATOM 494 CB GLN A 31 1.077 5.070 10.461 1.00 0.00 C ATOM 495 CG GLN A 31 1.462 5.931 9.249 1.00 0.00 C ATOM 496 CD GLN A 31 0.342 6.022 8.224 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.675 6.664 8.430 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.459 5.358 7.100 1.00 0.00 N ATOM 0 H GLN A 31 -0.100 3.191 9.199 1.00 0.00 H new ATOM 0 HA GLN A 31 2.589 3.632 9.979 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.009 5.060 10.553 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.469 5.539 11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.724 6.934 9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.350 5.512 8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.303 4.817 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.294 5.383 6.412 1.00 0.00 H new ATOM 507 N ASP A 32 0.482 2.609 12.343 1.00 0.00 N ATOM 508 CA ASP A 32 0.349 2.053 13.695 1.00 0.00 C ATOM 509 C ASP A 32 1.105 0.729 13.932 1.00 0.00 C ATOM 510 O ASP A 32 1.763 0.556 14.959 1.00 0.00 O ATOM 511 CB ASP A 32 -1.154 1.985 14.019 1.00 0.00 C ATOM 512 CG ASP A 32 -1.504 1.251 15.314 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.171 1.773 16.403 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.220 0.229 15.228 1.00 0.00 O ATOM 0 H ASP A 32 -0.402 2.647 11.836 1.00 0.00 H new ATOM 0 HA ASP A 32 0.850 2.716 14.400 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.544 3.001 14.078 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.667 1.495 13.191 1.00 0.00 H new ATOM 519 N LYS A 33 1.078 -0.182 12.945 1.00 0.00 N ATOM 520 CA LYS A 33 1.719 -1.508 13.039 1.00 0.00 C ATOM 521 C LYS A 33 3.239 -1.471 12.876 1.00 0.00 C ATOM 522 O LYS A 33 3.924 -2.258 13.523 1.00 0.00 O ATOM 523 CB LYS A 33 1.087 -2.453 11.998 1.00 0.00 C ATOM 524 CG LYS A 33 1.115 -3.944 12.400 1.00 0.00 C ATOM 525 CD LYS A 33 2.072 -4.856 11.605 1.00 0.00 C ATOM 526 CE LYS A 33 3.569 -4.780 11.941 1.00 0.00 C ATOM 527 NZ LYS A 33 3.848 -5.046 13.371 1.00 0.00 N ATOM 0 H LYS A 33 0.609 -0.020 12.054 1.00 0.00 H new ATOM 0 HA LYS A 33 1.540 -1.878 14.049 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.053 -2.152 11.831 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.611 -2.334 11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.382 -4.007 13.455 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.105 -4.342 12.302 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.748 -5.887 11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.953 -4.626 10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.112 -5.501 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.946 -3.791 11.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.716 -5.612 13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.972 -4.144 13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.052 -5.569 13.789 1.00 0.00 H new ATOM 541 N GLU A 34 3.750 -0.661 11.946 1.00 0.00 N ATOM 542 CA GLU A 34 5.164 -0.682 11.516 1.00 0.00 C ATOM 543 C GLU A 34 5.801 0.712 11.347 1.00 0.00 C ATOM 544 O GLU A 34 7.003 0.864 11.577 1.00 0.00 O ATOM 545 CB GLU A 34 5.249 -1.476 10.199 1.00 0.00 C ATOM 546 CG GLU A 34 6.665 -1.618 9.618 1.00 0.00 C ATOM 547 CD GLU A 34 7.630 -2.393 10.530 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.209 -3.422 11.107 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.817 -1.994 10.641 1.00 0.00 O ATOM 0 H GLU A 34 3.192 0.040 11.459 1.00 0.00 H new ATOM 0 HA GLU A 34 5.740 -1.157 12.310 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.839 -2.472 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.615 -0.990 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.604 -2.124 8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.073 -0.625 9.432 1.00 0.00 H new ATOM 556 N GLY A 35 5.022 1.726 10.958 1.00 0.00 N ATOM 557 CA GLY A 35 5.512 3.090 10.744 1.00 0.00 C ATOM 558 C GLY A 35 5.899 3.402 9.296 1.00 0.00 C ATOM 559 O GLY A 35 6.988 3.921 9.059 1.00 0.00 O ATOM 0 H GLY A 35 4.023 1.621 10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.742 3.794 11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.379 3.256 11.383 1.00 0.00 H new ATOM 563 N ILE A 36 5.026 3.110 8.320 1.00 0.00 N ATOM 564 CA ILE A 36 5.198 3.559 6.922 1.00 0.00 C ATOM 565 C ILE A 36 4.230 4.732 6.644 1.00 0.00 C ATOM 566 O ILE A 36 3.061 4.483 6.343 1.00 0.00 O ATOM 567 CB ILE A 36 5.053 2.367 5.941 1.00 0.00 C ATOM 568 CG1 ILE A 36 6.128 1.290 6.242 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.158 2.817 4.472 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.000 -0.013 5.443 1.00 0.00 C ATOM 0 H ILE A 36 4.182 2.558 8.473 1.00 0.00 H new ATOM 0 HA ILE A 36 6.207 3.938 6.761 1.00 0.00 H new ATOM 0 HB ILE A 36 4.061 1.941 6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.111 1.719 6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.089 1.050 7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.051 1.952 3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.368 3.536 4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.129 3.282 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.800 -0.696 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.035 -0.475 5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.074 0.205 4.378 1.00 0.00 H new ATOM 582 N PRO A 37 4.654 6.005 6.804 1.00 0.00 N ATOM 583 CA PRO A 37 3.813 7.192 6.601 1.00 0.00 C ATOM 584 C PRO A 37 3.710 7.615 5.118 1.00 0.00 C ATOM 585 O PRO A 37 4.550 7.216 4.306 1.00 0.00 O ATOM 586 CB PRO A 37 4.472 8.276 7.458 1.00 0.00 C ATOM 587 CG PRO A 37 5.956 7.946 7.316 1.00 0.00 C ATOM 588 CD PRO A 37 5.950 6.420 7.333 1.00 0.00 C ATOM 0 HA PRO A 37 2.780 7.000 6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.242 9.278 7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.143 8.230 8.496 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.374 8.341 6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.545 8.360 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.763 6.022 6.725 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.095 6.043 8.345 1.00 0.00 H new ATOM 596 N PRO A 38 2.706 8.426 4.727 1.00 0.00 N ATOM 597 CA PRO A 38 2.445 8.779 3.327 1.00 0.00 C ATOM 598 C PRO A 38 3.397 9.840 2.740 1.00 0.00 C ATOM 599 O PRO A 38 3.360 10.083 1.534 1.00 0.00 O ATOM 600 CB PRO A 38 0.997 9.282 3.322 1.00 0.00 C ATOM 601 CG PRO A 38 0.844 9.917 4.703 1.00 0.00 C ATOM 602 CD PRO A 38 1.679 8.996 5.590 1.00 0.00 C ATOM 0 HA PRO A 38 2.612 7.911 2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.825 10.005 2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.288 8.468 3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.215 10.942 4.721 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.198 9.950 5.021 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.127 9.550 6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.061 8.213 6.030 1.00 0.00 H new ATOM 610 N ASP A 39 4.236 10.491 3.548 1.00 0.00 N ATOM 611 CA ASP A 39 5.172 11.554 3.136 1.00 0.00 C ATOM 612 C ASP A 39 6.490 11.109 2.464 1.00 0.00 C ATOM 613 O ASP A 39 7.226 11.943 1.928 1.00 0.00 O ATOM 614 CB ASP A 39 5.395 12.593 4.260 1.00 0.00 C ATOM 615 CG ASP A 39 5.691 12.023 5.656 1.00 0.00 C ATOM 616 OD1 ASP A 39 5.791 10.790 5.790 1.00 0.00 O ATOM 617 OD2 ASP A 39 5.790 12.858 6.599 1.00 0.00 O ATOM 0 H ASP A 39 4.289 10.289 4.546 1.00 0.00 H new ATOM 0 HA ASP A 39 4.649 12.040 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.223 13.240 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.508 13.222 4.327 1.00 0.00 H new ATOM 622 N GLN A 40 6.772 9.800 2.445 1.00 0.00 N ATOM 623 CA GLN A 40 8.033 9.215 1.956 1.00 0.00 C ATOM 624 C GLN A 40 7.862 8.323 0.710 1.00 0.00 C ATOM 625 O GLN A 40 8.809 8.120 -0.043 1.00 0.00 O ATOM 626 CB GLN A 40 8.656 8.452 3.142 1.00 0.00 C ATOM 627 CG GLN A 40 10.081 7.888 2.941 1.00 0.00 C ATOM 628 CD GLN A 40 11.201 8.915 3.118 1.00 0.00 C ATOM 629 OE1 GLN A 40 11.000 10.042 3.537 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.432 8.579 2.815 1.00 0.00 N ATOM 0 H GLN A 40 6.113 9.097 2.778 1.00 0.00 H new ATOM 0 HA GLN A 40 8.694 10.010 1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.674 9.120 4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.996 7.623 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.238 7.073 3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.151 7.461 1.940 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.633 7.643 2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.188 9.253 2.932 1.00 0.00 H new ATOM 639 N ASN A 41 6.690 7.726 0.493 1.00 0.00 N ATOM 640 CA ASN A 41 6.547 6.517 -0.336 1.00 0.00 C ATOM 641 C ASN A 41 5.114 6.395 -0.914 1.00 0.00 C ATOM 642 O ASN A 41 4.283 7.267 -0.661 1.00 0.00 O ATOM 643 CB ASN A 41 6.910 5.335 0.594 1.00 0.00 C ATOM 644 CG ASN A 41 5.917 5.177 1.729 1.00 0.00 C ATOM 645 OD1 ASN A 41 4.817 4.687 1.555 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.282 5.596 2.913 1.00 0.00 N ATOM 0 H ASN A 41 5.810 8.062 0.884 1.00 0.00 H new ATOM 0 HA ASN A 41 7.201 6.541 -1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.945 4.414 0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.908 5.490 1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.642 5.514 3.703 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.207 6.005 3.047 1.00 0.00 H new ATOM 653 N ARG A 42 4.806 5.338 -1.686 1.00 0.00 N ATOM 654 CA ARG A 42 3.463 5.067 -2.234 1.00 0.00 C ATOM 655 C ARG A 42 3.264 3.573 -2.520 1.00 0.00 C ATOM 656 O ARG A 42 4.093 2.937 -3.173 1.00 0.00 O ATOM 657 CB ARG A 42 3.224 5.947 -3.476 1.00 0.00 C ATOM 658 CG ARG A 42 4.103 5.590 -4.690 1.00 0.00 C ATOM 659 CD ARG A 42 4.206 6.755 -5.683 1.00 0.00 C ATOM 660 NE ARG A 42 4.310 6.263 -7.067 1.00 0.00 N ATOM 661 CZ ARG A 42 5.412 6.009 -7.748 1.00 0.00 C ATOM 662 NH1 ARG A 42 6.612 6.139 -7.262 1.00 0.00 N ATOM 663 NH2 ARG A 42 5.354 5.571 -8.968 1.00 0.00 N ATOM 0 H ARG A 42 5.495 4.635 -1.952 1.00 0.00 H new ATOM 0 HA ARG A 42 2.713 5.330 -1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.176 5.867 -3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.402 6.988 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.101 5.315 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.688 4.718 -5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.331 7.398 -5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.077 7.365 -5.444 1.00 0.00 H new ATOM 0 HE ARG A 42 3.430 6.100 -7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.741 6.454 -6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.423 5.926 -7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.449 5.419 -9.413 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.214 5.379 -9.482 1.00 0.00 H new ATOM 677 N LEU A 43 2.166 3.003 -2.017 1.00 0.00 N ATOM 678 CA LEU A 43 1.828 1.578 -2.168 1.00 0.00 C ATOM 679 C LEU A 43 1.355 1.280 -3.597 1.00 0.00 C ATOM 680 O LEU A 43 0.372 1.870 -4.052 1.00 0.00 O ATOM 681 CB LEU A 43 0.716 1.185 -1.169 1.00 0.00 C ATOM 682 CG LEU A 43 1.163 0.730 0.231 1.00 0.00 C ATOM 683 CD1 LEU A 43 1.975 -0.564 0.176 1.00 0.00 C ATOM 684 CD2 LEU A 43 1.949 1.795 0.994 1.00 0.00 C ATOM 0 H LEU A 43 1.472 3.525 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 43 2.725 0.994 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.050 2.039 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.129 0.382 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 43 0.238 0.551 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.271 -0.851 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.368 -1.356 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.865 -0.409 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.232 1.407 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.847 2.056 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.330 2.683 1.121 1.00 0.00 H new ATOM 696 N ILE A 44 2.008 0.321 -4.265 1.00 0.00 N ATOM 697 CA ILE A 44 1.572 -0.169 -5.596 1.00 0.00 C ATOM 698 C ILE A 44 0.964 -1.582 -5.547 1.00 0.00 C ATOM 699 O ILE A 44 1.534 -2.495 -4.949 1.00 0.00 O ATOM 700 CB ILE A 44 2.731 -0.095 -6.618 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.368 1.307 -6.706 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.290 -0.550 -8.024 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.425 2.468 -7.062 1.00 0.00 C ATOM 0 H ILE A 44 2.846 -0.139 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 44 0.774 0.496 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 44 3.488 -0.784 -6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.836 1.530 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.164 1.274 -7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.134 -0.482 -8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.941 -1.582 -7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.483 0.092 -8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.990 3.399 -7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.974 2.285 -8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.641 2.544 -6.308 1.00 0.00 H new ATOM 715 N PHE A 45 -0.139 -1.813 -6.268 1.00 0.00 N ATOM 716 CA PHE A 45 -0.626 -3.168 -6.576 1.00 0.00 C ATOM 717 C PHE A 45 -1.179 -3.313 -8.006 1.00 0.00 C ATOM 718 O PHE A 45 -1.847 -2.408 -8.501 1.00 0.00 O ATOM 719 CB PHE A 45 -1.549 -3.693 -5.466 1.00 0.00 C ATOM 720 CG PHE A 45 -2.189 -5.046 -5.720 1.00 0.00 C ATOM 721 CD1 PHE A 45 -3.431 -5.151 -6.378 1.00 0.00 C ATOM 722 CD2 PHE A 45 -1.548 -6.212 -5.256 1.00 0.00 C ATOM 723 CE1 PHE A 45 -4.029 -6.412 -6.556 1.00 0.00 C ATOM 724 CE2 PHE A 45 -2.148 -7.471 -5.430 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.393 -7.570 -6.075 1.00 0.00 C ATOM 0 H PHE A 45 -0.720 -1.069 -6.655 1.00 0.00 H new ATOM 0 HA PHE A 45 0.238 -3.833 -6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.975 -3.752 -4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.342 -2.963 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.924 -4.263 -6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.590 -6.138 -4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.979 -6.491 -7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.653 -8.361 -5.069 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.861 -8.535 -6.201 1.00 0.00 H new ATOM 735 N ALA A 46 -0.833 -4.402 -8.708 1.00 0.00 N ATOM 736 CA ALA A 46 -1.151 -4.624 -10.132 1.00 0.00 C ATOM 737 C ALA A 46 -0.792 -3.437 -11.070 1.00 0.00 C ATOM 738 O ALA A 46 -1.437 -3.203 -12.093 1.00 0.00 O ATOM 739 CB ALA A 46 -2.604 -5.105 -10.257 1.00 0.00 C ATOM 0 H ALA A 46 -0.311 -5.174 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.495 -5.413 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.843 -5.270 -11.307 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.727 -6.037 -9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.274 -4.349 -9.847 1.00 0.00 H new ATOM 745 N GLY A 47 0.225 -2.647 -10.704 1.00 0.00 N ATOM 746 CA GLY A 47 0.649 -1.433 -11.417 1.00 0.00 C ATOM 747 C GLY A 47 -0.191 -0.171 -11.151 1.00 0.00 C ATOM 748 O GLY A 47 0.199 0.906 -11.601 1.00 0.00 O ATOM 0 H GLY A 47 0.793 -2.840 -9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.684 -1.220 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.632 -1.639 -12.487 1.00 0.00 H new ATOM 752 N LYS A 48 -1.306 -0.256 -10.410 1.00 0.00 N ATOM 753 CA LYS A 48 -2.080 0.908 -9.935 1.00 0.00 C ATOM 754 C LYS A 48 -1.605 1.425 -8.567 1.00 0.00 C ATOM 755 O LYS A 48 -1.121 0.659 -7.731 1.00 0.00 O ATOM 756 CB LYS A 48 -3.591 0.584 -9.890 1.00 0.00 C ATOM 757 CG LYS A 48 -4.326 0.808 -11.224 1.00 0.00 C ATOM 758 CD LYS A 48 -5.850 0.759 -10.998 1.00 0.00 C ATOM 759 CE LYS A 48 -6.685 0.868 -12.282 1.00 0.00 C ATOM 760 NZ LYS A 48 -6.597 2.198 -12.929 1.00 0.00 N ATOM 0 H LYS A 48 -1.704 -1.148 -10.118 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.906 1.707 -10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.719 -0.455 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.060 1.199 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.043 1.772 -11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.032 0.045 -11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.101 -0.175 -10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.132 1.570 -10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.354 0.106 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.728 0.654 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.182 2.205 -13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.939 2.927 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.608 2.396 -13.182 1.00 0.00 H new ATOM 774 N GLN A 49 -1.838 2.716 -8.323 1.00 0.00 N ATOM 775 CA GLN A 49 -1.902 3.288 -6.974 1.00 0.00 C ATOM 776 C GLN A 49 -3.226 2.892 -6.287 1.00 0.00 C ATOM 777 O GLN A 49 -4.235 2.654 -6.961 1.00 0.00 O ATOM 778 CB GLN A 49 -1.833 4.825 -7.028 1.00 0.00 C ATOM 779 CG GLN A 49 -0.572 5.392 -7.700 1.00 0.00 C ATOM 780 CD GLN A 49 0.051 6.539 -6.908 1.00 0.00 C ATOM 781 OE1 GLN A 49 1.199 6.469 -6.510 1.00 0.00 O ATOM 782 NE2 GLN A 49 -0.694 7.574 -6.576 1.00 0.00 N ATOM 0 H GLN A 49 -1.989 3.402 -9.063 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.053 2.900 -6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.709 5.195 -7.561 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.891 5.213 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.162 4.595 -7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.824 5.742 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.657 7.637 -6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.308 8.312 -5.988 1.00 0.00 H new ATOM 791 N LEU A 50 -3.248 2.897 -4.953 1.00 0.00 N ATOM 792 CA LEU A 50 -4.411 2.542 -4.130 1.00 0.00 C ATOM 793 C LEU A 50 -5.012 3.775 -3.430 1.00 0.00 C ATOM 794 O LEU A 50 -4.376 4.357 -2.548 1.00 0.00 O ATOM 795 CB LEU A 50 -4.001 1.441 -3.133 1.00 0.00 C ATOM 796 CG LEU A 50 -3.423 0.160 -3.768 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.113 -0.859 -2.673 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.400 -0.491 -4.746 1.00 0.00 C ATOM 0 H LEU A 50 -2.433 3.156 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.202 2.153 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.261 1.852 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.873 1.170 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.523 0.451 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.705 -1.764 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.385 -0.438 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.028 -1.103 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.949 -1.389 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.317 -0.758 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.632 0.209 -5.548 1.00 0.00 H new ATOM 810 N GLU A 51 -6.229 4.172 -3.809 1.00 0.00 N ATOM 811 CA GLU A 51 -6.911 5.397 -3.359 1.00 0.00 C ATOM 812 C GLU A 51 -8.218 5.133 -2.580 1.00 0.00 C ATOM 813 O GLU A 51 -8.756 4.024 -2.595 1.00 0.00 O ATOM 814 CB GLU A 51 -7.160 6.301 -4.584 1.00 0.00 C ATOM 815 CG GLU A 51 -6.583 7.701 -4.326 1.00 0.00 C ATOM 816 CD GLU A 51 -6.816 8.723 -5.453 1.00 0.00 C ATOM 817 OE1 GLU A 51 -7.731 8.545 -6.286 1.00 0.00 O ATOM 818 OE2 GLU A 51 -6.056 9.722 -5.495 1.00 0.00 O ATOM 0 H GLU A 51 -6.792 3.630 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.257 5.897 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.697 5.865 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.229 6.370 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.018 8.092 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.510 7.609 -4.157 1.00 0.00 H new ATOM 825 N ASP A 52 -8.709 6.165 -1.883 1.00 0.00 N ATOM 826 CA ASP A 52 -9.947 6.160 -1.083 1.00 0.00 C ATOM 827 C ASP A 52 -11.240 5.918 -1.908 1.00 0.00 C ATOM 828 O ASP A 52 -11.237 5.921 -3.139 1.00 0.00 O ATOM 829 CB ASP A 52 -9.974 7.437 -0.204 1.00 0.00 C ATOM 830 CG ASP A 52 -11.250 7.655 0.629 1.00 0.00 C ATOM 831 OD1 ASP A 52 -11.769 6.678 1.212 1.00 0.00 O ATOM 832 OD2 ASP A 52 -11.764 8.798 0.661 1.00 0.00 O ATOM 0 H ASP A 52 -8.236 7.068 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.934 5.290 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.122 7.405 0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.834 8.303 -0.851 1.00 0.00 H new ATOM 837 N GLY A 53 -12.364 5.668 -1.234 1.00 0.00 N ATOM 838 CA GLY A 53 -13.669 5.408 -1.841 1.00 0.00 C ATOM 839 C GLY A 53 -13.886 3.948 -2.245 1.00 0.00 C ATOM 840 O GLY A 53 -14.995 3.614 -2.669 1.00 0.00 O ATOM 0 H GLY A 53 -12.391 5.640 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.450 5.700 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.781 6.039 -2.723 1.00 0.00 H new ATOM 844 N ARG A 54 -12.860 3.093 -2.092 1.00 0.00 N ATOM 845 CA ARG A 54 -12.856 1.659 -2.432 1.00 0.00 C ATOM 846 C ARG A 54 -12.479 0.756 -1.250 1.00 0.00 C ATOM 847 O ARG A 54 -11.915 1.211 -0.253 1.00 0.00 O ATOM 848 CB ARG A 54 -11.910 1.436 -3.620 1.00 0.00 C ATOM 849 CG ARG A 54 -12.354 2.265 -4.832 1.00 0.00 C ATOM 850 CD ARG A 54 -11.646 1.802 -6.098 1.00 0.00 C ATOM 851 NE ARG A 54 -12.093 2.593 -7.251 1.00 0.00 N ATOM 852 CZ ARG A 54 -12.668 2.161 -8.354 1.00 0.00 C ATOM 853 NH1 ARG A 54 -12.991 0.916 -8.579 1.00 0.00 N ATOM 854 NH2 ARG A 54 -12.917 3.036 -9.283 1.00 0.00 N ATOM 0 H ARG A 54 -11.966 3.399 -1.708 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.874 1.376 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.894 1.711 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.893 0.378 -3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.433 2.178 -4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.139 3.319 -4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.567 1.902 -5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.851 0.746 -6.272 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.940 3.600 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.799 0.204 -7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.435 0.655 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.668 4.015 -9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.361 2.743 -10.153 1.00 0.00 H new ATOM 868 N THR A 55 -12.756 -0.540 -1.387 1.00 0.00 N ATOM 869 CA THR A 55 -12.236 -1.624 -0.527 1.00 0.00 C ATOM 870 C THR A 55 -11.047 -2.381 -1.119 1.00 0.00 C ATOM 871 O THR A 55 -10.745 -2.242 -2.307 1.00 0.00 O ATOM 872 CB THR A 55 -13.329 -2.582 -0.009 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.553 -3.616 -0.941 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.678 -1.923 0.277 1.00 0.00 C ATOM 0 H THR A 55 -13.370 -0.886 -2.124 1.00 0.00 H new ATOM 0 HA THR A 55 -11.847 -1.097 0.345 1.00 0.00 H new ATOM 0 HB THR A 55 -12.939 -2.955 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.247 -4.218 -0.601 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.381 -2.674 0.636 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.552 -1.151 1.036 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.064 -1.473 -0.637 1.00 0.00 H new ATOM 882 N LEU A 56 -10.386 -3.217 -0.312 1.00 0.00 N ATOM 883 CA LEU A 56 -9.337 -4.133 -0.781 1.00 0.00 C ATOM 884 C LEU A 56 -9.815 -5.008 -1.955 1.00 0.00 C ATOM 885 O LEU A 56 -9.197 -5.012 -3.020 1.00 0.00 O ATOM 886 CB LEU A 56 -8.910 -5.030 0.394 1.00 0.00 C ATOM 887 CG LEU A 56 -8.072 -4.325 1.478 1.00 0.00 C ATOM 888 CD1 LEU A 56 -7.908 -5.255 2.681 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.676 -3.975 0.954 1.00 0.00 C ATOM 0 H LEU A 56 -10.563 -3.279 0.691 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.497 -3.539 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.804 -5.444 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.337 -5.870 0.001 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.591 -3.409 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.315 -4.757 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.889 -5.504 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.402 -6.169 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.106 -3.479 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.161 -4.887 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.766 -3.310 0.095 1.00 0.00 H new ATOM 901 N SER A 57 -10.927 -5.728 -1.776 1.00 0.00 N ATOM 902 CA SER A 57 -11.438 -6.650 -2.807 1.00 0.00 C ATOM 903 C SER A 57 -11.907 -5.937 -4.092 1.00 0.00 C ATOM 904 O SER A 57 -11.882 -6.549 -5.160 1.00 0.00 O ATOM 905 CB SER A 57 -12.568 -7.507 -2.227 1.00 0.00 C ATOM 906 OG SER A 57 -12.689 -8.720 -2.950 1.00 0.00 O ATOM 0 H SER A 57 -11.494 -5.693 -0.929 1.00 0.00 H new ATOM 0 HA SER A 57 -10.602 -7.285 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.369 -7.720 -1.177 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.508 -6.957 -2.268 1.00 0.00 H new ATOM 0 HG SER A 57 -13.413 -9.258 -2.568 1.00 0.00 H new ATOM 912 N ASP A 58 -12.259 -4.643 -4.028 1.00 0.00 N ATOM 913 CA ASP A 58 -12.557 -3.809 -5.218 1.00 0.00 C ATOM 914 C ASP A 58 -11.336 -3.612 -6.140 1.00 0.00 C ATOM 915 O ASP A 58 -11.395 -3.845 -7.345 1.00 0.00 O ATOM 916 CB ASP A 58 -13.311 -2.528 -4.779 1.00 0.00 C ATOM 917 CG ASP A 58 -13.531 -1.381 -5.788 1.00 0.00 C ATOM 918 OD1 ASP A 58 -13.190 -1.454 -6.987 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.114 -0.360 -5.362 1.00 0.00 O ATOM 0 H ASP A 58 -12.347 -4.137 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.242 -4.340 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.292 -2.836 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.775 -2.112 -3.926 1.00 0.00 H new ATOM 924 N TYR A 59 -10.160 -3.399 -5.537 1.00 0.00 N ATOM 925 CA TYR A 59 -8.857 -3.537 -6.195 1.00 0.00 C ATOM 926 C TYR A 59 -8.399 -4.958 -6.593 1.00 0.00 C ATOM 927 O TYR A 59 -7.241 -5.158 -6.956 1.00 0.00 O ATOM 928 CB TYR A 59 -7.794 -2.697 -5.464 1.00 0.00 C ATOM 929 CG TYR A 59 -7.745 -1.224 -5.823 1.00 0.00 C ATOM 930 CD1 TYR A 59 -6.953 -0.819 -6.913 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.376 -0.257 -5.012 1.00 0.00 C ATOM 932 CE1 TYR A 59 -6.737 0.550 -7.158 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.152 1.115 -5.249 1.00 0.00 C ATOM 934 CZ TYR A 59 -7.319 1.517 -6.314 1.00 0.00 C ATOM 935 OH TYR A 59 -6.998 2.826 -6.478 1.00 0.00 O ATOM 0 H TYR A 59 -10.087 -3.120 -4.558 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.004 -3.119 -7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.967 -2.783 -4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.815 -3.132 -5.665 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.510 -1.560 -7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.030 -0.567 -4.210 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.125 0.859 -7.993 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.617 1.856 -4.616 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.038 2.907 -6.657 1.00 0.00 H new ATOM 945 N ASN A 60 -9.285 -5.961 -6.500 1.00 0.00 N ATOM 946 CA ASN A 60 -9.004 -7.401 -6.619 1.00 0.00 C ATOM 947 C ASN A 60 -8.039 -7.970 -5.548 1.00 0.00 C ATOM 948 O ASN A 60 -7.586 -9.110 -5.669 1.00 0.00 O ATOM 949 CB ASN A 60 -8.638 -7.797 -8.075 1.00 0.00 C ATOM 950 CG ASN A 60 -9.836 -8.061 -8.973 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.440 -9.125 -8.949 1.00 0.00 O ATOM 952 ND2 ASN A 60 -10.167 -7.154 -9.860 1.00 0.00 N ATOM 0 H ASN A 60 -10.274 -5.779 -6.330 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.943 -7.902 -6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.037 -7.001 -8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.014 -8.690 -8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.921 -7.339 -10.521 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.670 -6.264 -9.889 1.00 0.00 H new ATOM 959 N ILE A 61 -7.722 -7.216 -4.488 1.00 0.00 N ATOM 960 CA ILE A 61 -6.733 -7.613 -3.473 1.00 0.00 C ATOM 961 C ILE A 61 -7.272 -8.791 -2.638 1.00 0.00 C ATOM 962 O ILE A 61 -8.306 -8.686 -1.977 1.00 0.00 O ATOM 963 CB ILE A 61 -6.291 -6.409 -2.602 1.00 0.00 C ATOM 964 CG1 ILE A 61 -5.880 -5.198 -3.476 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.134 -6.817 -1.673 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.506 -3.923 -2.710 1.00 0.00 C ATOM 0 H ILE A 61 -8.147 -6.306 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.832 -7.958 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.143 -6.106 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.031 -5.491 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.702 -4.966 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.834 -5.961 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.460 -7.627 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.287 -7.152 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.235 -3.140 -3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.357 -3.594 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.660 -4.128 -2.054 1.00 0.00 H new ATOM 978 N GLN A 62 -6.572 -9.926 -2.706 1.00 0.00 N ATOM 979 CA GLN A 62 -6.918 -11.203 -2.069 1.00 0.00 C ATOM 980 C GLN A 62 -6.103 -11.482 -0.782 1.00 0.00 C ATOM 981 O GLN A 62 -5.133 -10.780 -0.481 1.00 0.00 O ATOM 982 CB GLN A 62 -6.767 -12.328 -3.114 1.00 0.00 C ATOM 983 CG GLN A 62 -5.327 -12.626 -3.601 1.00 0.00 C ATOM 984 CD GLN A 62 -4.804 -11.862 -4.826 1.00 0.00 C ATOM 985 OE1 GLN A 62 -3.624 -11.913 -5.135 1.00 0.00 O ATOM 986 NE2 GLN A 62 -5.609 -11.195 -5.621 1.00 0.00 N ATOM 0 H GLN A 62 -5.702 -9.984 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.953 -11.155 -1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.182 -13.244 -2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.375 -12.072 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.648 -12.431 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.263 -13.692 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.603 -11.127 -5.401 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.241 -10.745 -6.459 1.00 0.00 H new ATOM 995 N LYS A 63 -6.435 -12.564 -0.059 1.00 0.00 N ATOM 996 CA LYS A 63 -5.572 -13.163 0.985 1.00 0.00 C ATOM 997 C LYS A 63 -4.173 -13.493 0.415 1.00 0.00 C ATOM 998 O LYS A 63 -4.068 -13.868 -0.748 1.00 0.00 O ATOM 999 CB LYS A 63 -6.276 -14.398 1.605 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.544 -15.586 0.642 1.00 0.00 C ATOM 1001 CD LYS A 63 -8.005 -15.713 0.165 1.00 0.00 C ATOM 1002 CE LYS A 63 -8.093 -16.774 -0.942 1.00 0.00 C ATOM 1003 NZ LYS A 63 -9.487 -17.028 -1.379 1.00 0.00 N ATOM 0 H LYS A 63 -7.320 -13.057 -0.181 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.415 -12.442 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.668 -14.759 2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.229 -14.075 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.899 -15.481 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.257 -16.512 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.648 -15.990 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.362 -14.753 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.501 -16.450 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.653 -17.705 -0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.490 -17.751 -2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.049 -17.363 -0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.901 -16.148 -1.747 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.116 -13.340 1.219 1.00 0.00 N ATOM 1018 CA GLU A 64 -1.698 -13.478 0.806 1.00 0.00 C ATOM 1019 C GLU A 64 -1.215 -12.505 -0.310 1.00 0.00 C ATOM 1020 O GLU A 64 -0.122 -12.681 -0.849 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.297 -14.957 0.551 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.340 -15.858 1.805 1.00 0.00 C ATOM 1023 CD GLU A 64 -0.585 -17.201 1.637 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -0.422 -17.699 0.500 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -0.150 -17.799 2.652 1.00 0.00 O ATOM 0 H GLU A 64 -3.217 -13.109 2.207 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.137 -13.139 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.962 -15.375 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.289 -14.981 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.911 -15.314 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.380 -16.066 2.056 1.00 0.00 H new ATOM 1032 N SER A 65 -1.971 -11.441 -0.637 1.00 0.00 N ATOM 1033 CA SER A 65 -1.582 -10.482 -1.694 1.00 0.00 C ATOM 1034 C SER A 65 -0.208 -9.848 -1.496 1.00 0.00 C ATOM 1035 O SER A 65 0.095 -9.342 -0.415 1.00 0.00 O ATOM 1036 CB SER A 65 -2.570 -9.325 -1.836 1.00 0.00 C ATOM 1037 OG SER A 65 -3.748 -9.778 -2.449 1.00 0.00 O ATOM 0 H SER A 65 -2.858 -11.221 -0.184 1.00 0.00 H new ATOM 0 HA SER A 65 -1.571 -11.106 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.797 -8.906 -0.856 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.125 -8.526 -2.429 1.00 0.00 H new ATOM 0 HG SER A 65 -4.255 -10.329 -1.817 1.00 0.00 H new ATOM 1043 N THR A 66 0.566 -9.788 -2.579 1.00 0.00 N ATOM 1044 CA THR A 66 1.921 -9.219 -2.624 1.00 0.00 C ATOM 1045 C THR A 66 2.027 -7.770 -3.104 1.00 0.00 C ATOM 1046 O THR A 66 2.445 -7.493 -4.232 1.00 0.00 O ATOM 1047 CB THR A 66 2.949 -10.174 -3.265 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.523 -11.523 -3.221 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.316 -10.077 -2.593 1.00 0.00 C ATOM 0 H THR A 66 0.260 -10.146 -3.484 1.00 0.00 H new ATOM 0 HA THR A 66 2.200 -9.130 -1.574 1.00 0.00 H new ATOM 0 HB THR A 66 3.033 -9.857 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.201 -12.094 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.009 -10.766 -3.076 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.695 -9.059 -2.684 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.222 -10.336 -1.538 1.00 0.00 H new ATOM 1057 N LEU A 67 1.624 -6.819 -2.259 1.00 0.00 N ATOM 1058 CA LEU A 67 1.718 -5.394 -2.569 1.00 0.00 C ATOM 1059 C LEU A 67 3.188 -4.979 -2.707 1.00 0.00 C ATOM 1060 O LEU A 67 4.045 -5.349 -1.906 1.00 0.00 O ATOM 1061 CB LEU A 67 1.006 -4.531 -1.516 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.513 -4.786 -1.438 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -0.906 -5.774 -0.339 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.239 -3.472 -1.146 1.00 0.00 C ATOM 0 H LEU A 67 1.224 -7.016 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 67 1.211 -5.226 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.450 -4.724 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.179 -3.479 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.797 -5.210 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.988 -5.908 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.422 -6.733 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.589 -5.386 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.312 -3.654 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.891 -3.067 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.032 -2.757 -1.943 1.00 0.00 H new ATOM 1076 N HIS A 68 3.484 -4.192 -3.731 1.00 0.00 N ATOM 1077 CA HIS A 68 4.778 -3.553 -3.904 1.00 0.00 C ATOM 1078 C HIS A 68 4.734 -2.196 -3.296 1.00 0.00 C ATOM 1079 O HIS A 68 3.691 -1.584 -3.058 1.00 0.00 O ATOM 1080 CB HIS A 68 5.173 -3.489 -5.381 1.00 0.00 C ATOM 1081 CG HIS A 68 5.424 -4.845 -6.009 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.637 -5.981 -5.925 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.474 -5.175 -6.824 1.00 0.00 C ATOM 1084 CE1 HIS A 68 5.215 -6.945 -6.634 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.342 -6.509 -7.208 1.00 0.00 N ATOM 0 H HIS A 68 2.821 -3.977 -4.476 1.00 0.00 H new ATOM 0 HA HIS A 68 5.541 -4.146 -3.400 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.383 -2.983 -5.936 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.072 -2.881 -5.480 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.762 -6.064 -5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.273 -4.511 -7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.826 -7.948 -6.734 1.00 0.00 H new ATOM 1093 N LEU A 69 5.940 -1.729 -3.056 1.00 0.00 N ATOM 1094 CA LEU A 69 6.133 -0.376 -2.720 1.00 0.00 C ATOM 1095 C LEU A 69 6.955 0.406 -3.733 1.00 0.00 C ATOM 1096 O LEU A 69 7.870 -0.150 -4.338 1.00 0.00 O ATOM 1097 CB LEU A 69 6.784 -0.277 -1.360 1.00 0.00 C ATOM 1098 CG LEU A 69 6.978 1.075 -0.657 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.622 1.672 -0.327 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.753 0.885 0.651 1.00 0.00 C ATOM 0 H LEU A 69 6.793 -2.287 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 69 5.142 0.078 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.202 -0.904 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.770 -0.732 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 69 7.534 1.736 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.759 2.631 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.055 1.819 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.077 0.995 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.884 1.850 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.197 0.217 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.730 0.452 0.436 1.00 0.00 H new ATOM 1112 N VAL A 70 6.728 1.720 -3.747 1.00 0.00 N ATOM 1113 CA VAL A 70 7.790 2.669 -4.039 1.00 0.00 C ATOM 1114 C VAL A 70 8.019 3.740 -3.013 1.00 0.00 C ATOM 1115 O VAL A 70 7.131 4.084 -2.249 1.00 0.00 O ATOM 1116 CB VAL A 70 7.677 3.374 -5.412 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.988 3.978 -5.954 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.140 2.425 -6.505 1.00 0.00 C ATOM 0 H VAL A 70 5.820 2.145 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 70 8.644 1.991 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 70 6.985 4.190 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.800 4.448 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.361 4.725 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.730 3.189 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.076 2.960 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.814 1.575 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.149 2.068 -6.223 1.00 0.00 H new ATOM 1128 N LEU A 71 9.163 4.391 -3.138 1.00 0.00 N ATOM 1129 CA LEU A 71 9.269 5.808 -2.913 1.00 0.00 C ATOM 1130 C LEU A 71 8.278 6.786 -3.544 1.00 0.00 C ATOM 1131 O LEU A 71 7.600 6.536 -4.544 1.00 0.00 O ATOM 1132 CB LEU A 71 10.654 6.316 -3.305 1.00 0.00 C ATOM 1133 CG LEU A 71 11.759 6.025 -2.253 1.00 0.00 C ATOM 1134 CD1 LEU A 71 13.102 5.747 -2.928 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.962 7.225 -1.331 1.00 0.00 C ATOM 0 H LEU A 71 10.042 3.944 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 71 9.030 5.824 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.941 5.861 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.601 7.392 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 71 11.429 5.154 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.857 5.547 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.008 4.881 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.401 6.615 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.741 6.997 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.260 8.091 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.031 7.445 -0.809 1.00 0.00 H new