USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 437 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 50 THR OG1 : rot -100:sc= 1.21 USER MOD Set 1.2: A 52 THR OG1 : rot 96:sc= 0.149 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.469 USER MOD Set 2.2: A 54 THR OG1 : rot 121:sc= 0.266 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= 0.294 F(o=-4.8,f=-0.81) USER MOD Set 3.2: A 56 THR OG1 : rot 177:sc= -1.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0294 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0879 USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= 0.31 (180deg=0.179) 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 32:sc= 0.303 USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.018) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0203) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 30:sc= -2.96! USER MOD Single : A 36 ASN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 38 ASN : amide:sc= -1.02 X(o=-1,f=-0.65) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.062 -15.729 7.069 1.00 0.00 N ATOM 2 CA MET A 1 -2.005 -14.289 7.453 1.00 0.00 C ATOM 3 C MET A 1 -2.131 -13.405 6.209 1.00 0.00 C ATOM 4 O MET A 1 -1.726 -13.782 5.126 1.00 0.00 O ATOM 5 CB MET A 1 -0.635 -14.107 8.105 1.00 0.00 C ATOM 6 CG MET A 1 -0.756 -14.326 9.614 1.00 0.00 C ATOM 7 SD MET A 1 0.879 -14.180 10.378 1.00 0.00 S ATOM 8 CE MET A 1 0.465 -14.978 11.948 1.00 0.00 C ATOM 0 H1 MET A 1 -1.435 -16.279 7.690 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.037 -16.076 7.167 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.754 -15.837 6.082 1.00 0.00 H new ATOM 0 HA MET A 1 -2.816 -14.008 8.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.079 -14.813 7.680 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.253 -13.107 7.901 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.437 -13.593 10.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.177 -15.311 9.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.346 -14.998 12.589 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.330 -14.419 12.442 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.129 -15.998 11.760 1.00 0.00 H new ATOM 20 N THR A 2 -2.692 -12.232 6.360 1.00 0.00 N ATOM 21 CA THR A 2 -2.851 -11.315 5.193 1.00 0.00 C ATOM 22 C THR A 2 -1.953 -10.083 5.356 1.00 0.00 C ATOM 23 O THR A 2 -2.427 -8.981 5.562 1.00 0.00 O ATOM 24 CB THR A 2 -4.327 -10.911 5.205 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.135 -12.078 5.144 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.623 -10.018 3.999 1.00 0.00 C ATOM 0 H THR A 2 -3.048 -11.870 7.245 1.00 0.00 H new ATOM 0 HA THR A 2 -2.566 -11.790 4.254 1.00 0.00 H new ATOM 0 HB THR A 2 -4.548 -10.363 6.121 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.081 -11.822 5.153 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.674 -9.731 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.002 -9.124 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.404 -10.563 3.081 1.00 0.00 H new ATOM 34 N THR A 3 -0.660 -10.266 5.262 1.00 0.00 N ATOM 35 CA THR A 3 0.277 -9.112 5.407 1.00 0.00 C ATOM 36 C THR A 3 0.603 -8.522 4.033 1.00 0.00 C ATOM 37 O THR A 3 1.381 -9.078 3.279 1.00 0.00 O ATOM 38 CB THR A 3 1.534 -9.696 6.052 1.00 0.00 C ATOM 39 OG1 THR A 3 1.171 -10.424 7.218 1.00 0.00 O ATOM 40 CG2 THR A 3 2.487 -8.562 6.430 1.00 0.00 C ATOM 0 H THR A 3 -0.213 -11.167 5.091 1.00 0.00 H new ATOM 0 HA THR A 3 -0.150 -8.308 6.006 1.00 0.00 H new ATOM 0 HB THR A 3 2.030 -10.364 5.347 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.975 -10.801 7.632 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.383 -8.978 6.890 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.764 -8.005 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.994 -7.893 7.135 1.00 0.00 H new ATOM 48 N PHE A 4 0.014 -7.401 3.705 1.00 0.00 N ATOM 49 CA PHE A 4 0.281 -6.766 2.381 1.00 0.00 C ATOM 50 C PHE A 4 1.487 -5.830 2.479 1.00 0.00 C ATOM 51 O PHE A 4 1.770 -5.276 3.523 1.00 0.00 O ATOM 52 CB PHE A 4 -0.985 -5.977 2.058 1.00 0.00 C ATOM 53 CG PHE A 4 -2.011 -6.904 1.456 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.820 -7.410 0.167 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.149 -7.259 2.185 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.766 -8.274 -0.395 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.095 -8.124 1.624 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.904 -8.632 0.334 1.00 0.00 C ATOM 0 H PHE A 4 -0.643 -6.897 4.300 1.00 0.00 H new ATOM 0 HA PHE A 4 0.511 -7.500 1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.381 -5.517 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.756 -5.169 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.941 -7.134 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.298 -6.866 3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.617 -8.664 -1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.974 -8.400 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.635 -9.300 -0.098 1.00 0.00 H new ATOM 68 N LYS A 5 2.197 -5.653 1.394 1.00 0.00 N ATOM 69 CA LYS A 5 3.387 -4.753 1.412 1.00 0.00 C ATOM 70 C LYS A 5 3.148 -3.548 0.499 1.00 0.00 C ATOM 71 O LYS A 5 2.042 -3.312 0.047 1.00 0.00 O ATOM 72 CB LYS A 5 4.538 -5.607 0.877 1.00 0.00 C ATOM 73 CG LYS A 5 4.758 -6.810 1.797 1.00 0.00 C ATOM 74 CD LYS A 5 3.976 -8.013 1.263 1.00 0.00 C ATOM 75 CE LYS A 5 4.760 -9.297 1.541 1.00 0.00 C ATOM 76 NZ LYS A 5 4.105 -10.337 0.700 1.00 0.00 N ATOM 0 H LYS A 5 2.003 -6.094 0.495 1.00 0.00 H new ATOM 0 HA LYS A 5 3.596 -4.364 2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.312 -5.946 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.449 -5.011 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.820 -7.049 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.432 -6.571 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.996 -8.063 1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.806 -7.903 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.812 -9.182 1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.722 -9.562 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.770 -11.120 0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.260 -10.697 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.827 -9.922 -0.212 1.00 0.00 H new ATOM 90 N LEU A 6 4.178 -2.787 0.221 1.00 0.00 N ATOM 91 CA LEU A 6 4.017 -1.597 -0.665 1.00 0.00 C ATOM 92 C LEU A 6 5.387 -1.083 -1.110 1.00 0.00 C ATOM 93 O LEU A 6 6.114 -0.485 -0.339 1.00 0.00 O ATOM 94 CB LEU A 6 3.300 -0.553 0.201 1.00 0.00 C ATOM 95 CG LEU A 6 3.104 0.745 -0.593 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.962 0.568 -1.593 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.763 1.884 0.369 1.00 0.00 C ATOM 0 H LEU A 6 5.124 -2.940 0.571 1.00 0.00 H new ATOM 0 HA LEU A 6 3.456 -1.826 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.334 -0.940 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.882 -0.354 1.101 1.00 0.00 H new ATOM 0 HG LEU A 6 4.023 0.982 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.825 1.491 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.202 -0.243 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.043 0.330 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.624 2.807 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.845 1.644 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.577 2.014 1.082 1.00 0.00 H new ATOM 109 N ILE A 7 5.734 -1.294 -2.354 1.00 0.00 N ATOM 110 CA ILE A 7 7.044 -0.801 -2.861 1.00 0.00 C ATOM 111 C ILE A 7 6.869 0.638 -3.338 1.00 0.00 C ATOM 112 O ILE A 7 6.281 0.887 -4.375 1.00 0.00 O ATOM 113 CB ILE A 7 7.408 -1.717 -4.032 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.483 -3.170 -3.547 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.768 -1.301 -4.601 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.486 -4.110 -4.754 1.00 0.00 C ATOM 0 H ILE A 7 5.163 -1.788 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 7 7.825 -0.815 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 7 6.646 -1.633 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.384 -3.320 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.634 -3.393 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.028 -1.953 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.717 -0.269 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.528 -1.385 -3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.539 -5.143 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.572 -3.966 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.349 -3.892 -5.383 1.00 0.00 H new ATOM 128 N ILE A 8 7.351 1.584 -2.577 1.00 0.00 N ATOM 129 CA ILE A 8 7.188 3.009 -2.979 1.00 0.00 C ATOM 130 C ILE A 8 8.175 3.340 -4.103 1.00 0.00 C ATOM 131 O ILE A 8 9.364 3.468 -3.876 1.00 0.00 O ATOM 132 CB ILE A 8 7.493 3.863 -1.737 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.724 3.328 -0.478 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.123 5.318 -2.060 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.463 4.150 -0.140 1.00 0.00 C ATOM 0 H ILE A 8 7.848 1.432 -1.699 1.00 0.00 H new ATOM 0 HA ILE A 8 6.180 3.205 -3.343 1.00 0.00 H new ATOM 0 HB ILE A 8 8.553 3.805 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.438 2.290 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.396 3.336 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.330 5.947 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.713 5.664 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.063 5.378 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.978 3.727 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.746 5.183 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.773 4.121 -0.983 1.00 0.00 H new ATOM 147 N ASN A 9 7.692 3.471 -5.311 1.00 0.00 N ATOM 148 CA ASN A 9 8.595 3.788 -6.462 1.00 0.00 C ATOM 149 C ASN A 9 8.891 5.297 -6.538 1.00 0.00 C ATOM 150 O ASN A 9 9.549 5.753 -7.455 1.00 0.00 O ATOM 151 CB ASN A 9 7.817 3.330 -7.697 1.00 0.00 C ATOM 152 CG ASN A 9 8.629 3.597 -8.970 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.072 4.239 -9.965 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.779 3.218 -9.060 1.00 0.00 N flip ATOM 0 H ASN A 9 6.706 3.372 -5.553 1.00 0.00 H new ATOM 0 HA ASN A 9 9.563 3.295 -6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.591 2.267 -7.619 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.863 3.855 -7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.213 2.718 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.311 3.400 -9.911 1.00 0.00 H new ATOM 161 N GLY A 10 8.417 6.072 -5.590 1.00 0.00 N ATOM 162 CA GLY A 10 8.680 7.541 -5.622 1.00 0.00 C ATOM 163 C GLY A 10 10.129 7.808 -5.214 1.00 0.00 C ATOM 164 O GLY A 10 11.011 7.009 -5.469 1.00 0.00 O ATOM 0 H GLY A 10 7.861 5.748 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.494 7.933 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.999 8.058 -4.946 1.00 0.00 H new ATOM 168 N LYS A 11 10.378 8.925 -4.581 1.00 0.00 N ATOM 169 CA LYS A 11 11.772 9.255 -4.151 1.00 0.00 C ATOM 170 C LYS A 11 11.766 9.831 -2.732 1.00 0.00 C ATOM 171 O LYS A 11 12.584 10.664 -2.389 1.00 0.00 O ATOM 172 CB LYS A 11 12.272 10.298 -5.158 1.00 0.00 C ATOM 173 CG LYS A 11 11.340 11.515 -5.162 1.00 0.00 C ATOM 174 CD LYS A 11 12.040 12.696 -5.837 1.00 0.00 C ATOM 175 CE LYS A 11 11.156 13.940 -5.737 1.00 0.00 C ATOM 176 NZ LYS A 11 11.517 14.765 -6.924 1.00 0.00 N ATOM 0 H LYS A 11 9.676 9.625 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 11 12.415 8.375 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.285 10.607 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.316 9.860 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.417 11.277 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.065 11.778 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.003 12.882 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.241 12.463 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.099 13.675 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.340 14.482 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.951 15.638 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.527 15.008 -6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.325 14.226 -7.793 1.00 0.00 H new ATOM 190 N THR A 12 10.849 9.391 -1.908 1.00 0.00 N ATOM 191 CA THR A 12 10.782 9.908 -0.507 1.00 0.00 C ATOM 192 C THR A 12 10.290 8.820 0.455 1.00 0.00 C ATOM 193 O THR A 12 9.876 9.113 1.562 1.00 0.00 O ATOM 194 CB THR A 12 9.783 11.064 -0.561 1.00 0.00 C ATOM 195 OG1 THR A 12 8.658 10.680 -1.339 1.00 0.00 O ATOM 196 CG2 THR A 12 10.448 12.289 -1.191 1.00 0.00 C ATOM 0 H THR A 12 10.142 8.695 -2.145 1.00 0.00 H new ATOM 0 HA THR A 12 11.760 10.223 -0.144 1.00 0.00 H new ATOM 0 HB THR A 12 9.459 11.311 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.016 11.420 -1.373 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.734 13.112 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.310 12.583 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.775 12.046 -2.202 1.00 0.00 H new ATOM 204 N LEU A 13 10.331 7.571 0.052 1.00 0.00 N ATOM 205 CA LEU A 13 9.866 6.471 0.955 1.00 0.00 C ATOM 206 C LEU A 13 10.221 5.105 0.358 1.00 0.00 C ATOM 207 O LEU A 13 9.472 4.156 0.477 1.00 0.00 O ATOM 208 CB LEU A 13 8.339 6.638 1.046 1.00 0.00 C ATOM 209 CG LEU A 13 7.931 7.007 2.478 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.412 7.175 2.545 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.357 5.895 3.445 1.00 0.00 C ATOM 0 H LEU A 13 10.666 7.267 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 13 10.339 6.522 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.009 7.413 0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.846 5.713 0.747 1.00 0.00 H new ATOM 0 HG LEU A 13 8.420 7.939 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.119 7.437 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.103 7.967 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.930 6.241 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.064 6.164 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.871 4.961 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.439 5.769 3.401 1.00 0.00 H new ATOM 223 N LYS A 14 11.359 4.999 -0.283 1.00 0.00 N ATOM 224 CA LYS A 14 11.770 3.694 -0.894 1.00 0.00 C ATOM 225 C LYS A 14 11.728 2.562 0.145 1.00 0.00 C ATOM 226 O LYS A 14 12.648 2.384 0.919 1.00 0.00 O ATOM 227 CB LYS A 14 13.205 3.905 -1.409 1.00 0.00 C ATOM 228 CG LYS A 14 14.102 4.478 -0.297 1.00 0.00 C ATOM 229 CD LYS A 14 15.449 3.749 -0.289 1.00 0.00 C ATOM 230 CE LYS A 14 15.366 2.526 0.630 1.00 0.00 C ATOM 231 NZ LYS A 14 16.754 1.989 0.680 1.00 0.00 N ATOM 0 H LYS A 14 12.024 5.762 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 14 11.093 3.403 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.614 2.958 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.195 4.584 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.257 5.545 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.613 4.367 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.712 3.439 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.236 4.421 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.013 2.802 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.669 1.784 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.779 1.148 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.060 1.729 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.393 2.715 1.063 1.00 0.00 H new ATOM 245 N GLY A 15 10.661 1.799 0.164 1.00 0.00 N ATOM 246 CA GLY A 15 10.558 0.683 1.152 1.00 0.00 C ATOM 247 C GLY A 15 9.348 -0.195 0.826 1.00 0.00 C ATOM 248 O GLY A 15 8.601 0.076 -0.094 1.00 0.00 O ATOM 0 H GLY A 15 9.861 1.902 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.468 0.084 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.464 1.086 2.160 1.00 0.00 H new ATOM 252 N GLU A 16 9.156 -1.247 1.581 1.00 0.00 N ATOM 253 CA GLU A 16 7.999 -2.159 1.333 1.00 0.00 C ATOM 254 C GLU A 16 6.910 -1.929 2.385 1.00 0.00 C ATOM 255 O GLU A 16 5.738 -1.858 2.071 1.00 0.00 O ATOM 256 CB GLU A 16 8.575 -3.570 1.457 1.00 0.00 C ATOM 257 CG GLU A 16 7.937 -4.483 0.404 1.00 0.00 C ATOM 258 CD GLU A 16 8.880 -4.628 -0.794 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.575 -3.671 -1.095 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.890 -5.693 -1.389 1.00 0.00 O ATOM 0 H GLU A 16 9.754 -1.514 2.363 1.00 0.00 H new ATOM 0 HA GLU A 16 7.540 -1.990 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.656 -3.545 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.387 -3.964 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.729 -5.462 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.983 -4.068 0.080 1.00 0.00 H new ATOM 267 N ILE A 17 7.292 -1.814 3.635 1.00 0.00 N ATOM 268 CA ILE A 17 6.287 -1.589 4.730 1.00 0.00 C ATOM 269 C ILE A 17 5.197 -2.667 4.690 1.00 0.00 C ATOM 270 O ILE A 17 4.160 -2.493 4.077 1.00 0.00 O ATOM 271 CB ILE A 17 5.689 -0.197 4.459 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.807 0.861 4.448 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.661 0.150 5.542 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.550 0.873 5.791 1.00 0.00 C ATOM 0 H ILE A 17 8.261 -1.866 3.948 1.00 0.00 H new ATOM 0 HA ILE A 17 6.744 -1.644 5.718 1.00 0.00 H new ATOM 0 HB ILE A 17 5.196 -0.207 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.508 0.650 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.382 1.845 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.242 1.137 5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.862 -0.591 5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.147 0.152 6.518 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.337 1.627 5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.849 1.107 6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.992 -0.107 5.971 1.00 0.00 H new ATOM 286 N THR A 18 5.428 -3.778 5.343 1.00 0.00 N ATOM 287 CA THR A 18 4.414 -4.875 5.354 1.00 0.00 C ATOM 288 C THR A 18 3.373 -4.619 6.446 1.00 0.00 C ATOM 289 O THR A 18 3.708 -4.288 7.567 1.00 0.00 O ATOM 290 CB THR A 18 5.209 -6.146 5.661 1.00 0.00 C ATOM 291 OG1 THR A 18 5.891 -5.988 6.898 1.00 0.00 O ATOM 292 CG2 THR A 18 6.227 -6.410 4.547 1.00 0.00 C ATOM 0 H THR A 18 6.279 -3.973 5.871 1.00 0.00 H new ATOM 0 HA THR A 18 3.875 -4.949 4.410 1.00 0.00 H new ATOM 0 HB THR A 18 4.523 -6.991 5.724 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.365 -5.412 7.490 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.788 -7.316 4.774 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.704 -6.535 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.914 -5.567 4.474 1.00 0.00 H new ATOM 300 N ILE A 19 2.113 -4.780 6.125 1.00 0.00 N ATOM 301 CA ILE A 19 1.043 -4.553 7.146 1.00 0.00 C ATOM 302 C ILE A 19 -0.086 -5.575 6.973 1.00 0.00 C ATOM 303 O ILE A 19 -0.374 -6.014 5.876 1.00 0.00 O ATOM 304 CB ILE A 19 0.534 -3.127 6.900 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.016 -3.000 5.473 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.684 -2.136 7.089 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.530 -3.225 5.486 1.00 0.00 C ATOM 0 H ILE A 19 1.779 -5.058 5.202 1.00 0.00 H new ATOM 0 HA ILE A 19 1.419 -4.671 8.162 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.263 -2.908 7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.212 -2.013 5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.465 -3.729 4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.323 -1.122 6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.068 -2.214 8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.481 -2.364 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.920 -3.135 4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.746 -4.222 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.003 -2.479 6.125 1.00 0.00 H new ATOM 319 N GLU A 20 -0.720 -5.956 8.054 1.00 0.00 N ATOM 320 CA GLU A 20 -1.830 -6.952 7.969 1.00 0.00 C ATOM 321 C GLU A 20 -3.162 -6.241 7.716 1.00 0.00 C ATOM 322 O GLU A 20 -3.346 -5.099 8.094 1.00 0.00 O ATOM 323 CB GLU A 20 -1.844 -7.646 9.332 1.00 0.00 C ATOM 324 CG GLU A 20 -0.749 -8.713 9.373 1.00 0.00 C ATOM 325 CD GLU A 20 -1.167 -9.838 10.322 1.00 0.00 C ATOM 326 OE1 GLU A 20 -2.323 -10.228 10.274 1.00 0.00 O ATOM 327 OE2 GLU A 20 -0.326 -10.291 11.080 1.00 0.00 O ATOM 0 H GLU A 20 -0.515 -5.618 8.994 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.688 -7.659 7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.685 -6.916 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.818 -8.102 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.577 -9.111 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.191 -8.272 9.706 1.00 0.00 H new ATOM 334 N ALA A 21 -4.089 -6.910 7.077 1.00 0.00 N ATOM 335 CA ALA A 21 -5.413 -6.281 6.793 1.00 0.00 C ATOM 336 C ALA A 21 -6.429 -7.346 6.374 1.00 0.00 C ATOM 337 O ALA A 21 -6.067 -8.435 5.971 1.00 0.00 O ATOM 338 CB ALA A 21 -5.148 -5.313 5.639 1.00 0.00 C ATOM 0 H ALA A 21 -3.985 -7.867 6.739 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.826 -5.776 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.075 -4.807 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.408 -4.574 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.772 -5.867 4.779 1.00 0.00 H new ATOM 344 N VAL A 22 -7.699 -7.037 6.465 1.00 0.00 N ATOM 345 CA VAL A 22 -8.757 -8.022 6.073 1.00 0.00 C ATOM 346 C VAL A 22 -8.513 -8.536 4.644 1.00 0.00 C ATOM 347 O VAL A 22 -8.677 -9.707 4.357 1.00 0.00 O ATOM 348 CB VAL A 22 -10.079 -7.242 6.155 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.043 -6.044 5.198 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.242 -8.165 5.774 1.00 0.00 C ATOM 0 H VAL A 22 -8.051 -6.139 6.796 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.762 -8.899 6.721 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.216 -6.880 7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.984 -5.498 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.220 -5.384 5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.899 -6.398 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.179 -7.612 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.099 -8.530 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.276 -9.010 6.462 1.00 0.00 H new ATOM 360 N ASP A 23 -8.115 -7.662 3.759 1.00 0.00 N ATOM 361 CA ASP A 23 -7.847 -8.070 2.349 1.00 0.00 C ATOM 362 C ASP A 23 -6.969 -7.012 1.683 1.00 0.00 C ATOM 363 O ASP A 23 -6.681 -5.987 2.271 1.00 0.00 O ATOM 364 CB ASP A 23 -9.222 -8.130 1.678 1.00 0.00 C ATOM 365 CG ASP A 23 -9.827 -9.521 1.872 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.109 -10.489 1.680 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.996 -9.595 2.210 1.00 0.00 O ATOM 0 H ASP A 23 -7.963 -6.673 3.955 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.328 -9.026 2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.880 -7.373 2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.129 -7.908 0.615 1.00 0.00 H new ATOM 372 N ALA A 24 -6.537 -7.246 0.468 1.00 0.00 N ATOM 373 CA ALA A 24 -5.671 -6.237 -0.216 1.00 0.00 C ATOM 374 C ALA A 24 -6.420 -4.908 -0.346 1.00 0.00 C ATOM 375 O ALA A 24 -5.820 -3.849 -0.385 1.00 0.00 O ATOM 376 CB ALA A 24 -5.362 -6.819 -1.596 1.00 0.00 C ATOM 0 H ALA A 24 -6.744 -8.084 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.757 -6.039 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.729 -6.126 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.844 -7.771 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.293 -6.975 -2.142 1.00 0.00 H new ATOM 382 N ALA A 25 -7.732 -4.955 -0.402 1.00 0.00 N ATOM 383 CA ALA A 25 -8.531 -3.700 -0.514 1.00 0.00 C ATOM 384 C ALA A 25 -8.228 -2.786 0.676 1.00 0.00 C ATOM 385 O ALA A 25 -7.969 -1.608 0.518 1.00 0.00 O ATOM 386 CB ALA A 25 -9.995 -4.142 -0.491 1.00 0.00 C ATOM 0 H ALA A 25 -8.282 -5.814 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.297 -3.143 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.640 -3.267 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.186 -4.811 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.203 -4.663 0.443 1.00 0.00 H new ATOM 392 N GLU A 26 -8.244 -3.336 1.864 1.00 0.00 N ATOM 393 CA GLU A 26 -7.941 -2.518 3.074 1.00 0.00 C ATOM 394 C GLU A 26 -6.458 -2.146 3.073 1.00 0.00 C ATOM 395 O GLU A 26 -6.090 -1.027 3.376 1.00 0.00 O ATOM 396 CB GLU A 26 -8.280 -3.415 4.266 1.00 0.00 C ATOM 397 CG GLU A 26 -8.077 -2.636 5.566 1.00 0.00 C ATOM 398 CD GLU A 26 -9.112 -3.088 6.599 1.00 0.00 C ATOM 399 OE1 GLU A 26 -8.969 -4.187 7.109 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.029 -2.328 6.861 1.00 0.00 O ATOM 0 H GLU A 26 -8.454 -4.317 2.047 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.509 -1.589 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.312 -3.759 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.647 -4.302 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.070 -2.802 5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.176 -1.566 5.381 1.00 0.00 H new ATOM 407 N ALA A 27 -5.604 -3.077 2.712 1.00 0.00 N ATOM 408 CA ALA A 27 -4.136 -2.778 2.663 1.00 0.00 C ATOM 409 C ALA A 27 -3.887 -1.589 1.739 1.00 0.00 C ATOM 410 O ALA A 27 -3.177 -0.662 2.079 1.00 0.00 O ATOM 411 CB ALA A 27 -3.476 -4.032 2.088 1.00 0.00 C ATOM 0 H ALA A 27 -5.860 -4.029 2.450 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.737 -2.529 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.399 -3.880 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.685 -4.883 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.873 -4.228 1.092 1.00 0.00 H new ATOM 417 N GLU A 28 -4.490 -1.603 0.572 1.00 0.00 N ATOM 418 CA GLU A 28 -4.315 -0.465 -0.380 1.00 0.00 C ATOM 419 C GLU A 28 -4.749 0.834 0.302 1.00 0.00 C ATOM 420 O GLU A 28 -4.111 1.852 0.157 1.00 0.00 O ATOM 421 CB GLU A 28 -5.218 -0.782 -1.576 1.00 0.00 C ATOM 422 CG GLU A 28 -4.761 0.024 -2.798 1.00 0.00 C ATOM 423 CD GLU A 28 -5.886 0.056 -3.834 1.00 0.00 C ATOM 424 OE1 GLU A 28 -7.031 0.173 -3.431 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.583 -0.037 -5.011 1.00 0.00 O ATOM 0 H GLU A 28 -5.095 -2.354 0.241 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.279 -0.340 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.182 -1.849 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.254 -0.541 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.497 1.039 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.866 -0.425 -3.230 1.00 0.00 H new ATOM 432 N LYS A 29 -5.815 0.796 1.065 1.00 0.00 N ATOM 433 CA LYS A 29 -6.269 2.030 1.779 1.00 0.00 C ATOM 434 C LYS A 29 -5.218 2.432 2.817 1.00 0.00 C ATOM 435 O LYS A 29 -4.735 3.551 2.830 1.00 0.00 O ATOM 436 CB LYS A 29 -7.582 1.647 2.462 1.00 0.00 C ATOM 437 CG LYS A 29 -8.720 1.652 1.435 1.00 0.00 C ATOM 438 CD LYS A 29 -9.980 2.252 2.064 1.00 0.00 C ATOM 439 CE LYS A 29 -9.776 3.752 2.285 1.00 0.00 C ATOM 440 NZ LYS A 29 -10.143 4.384 0.988 1.00 0.00 N ATOM 0 H LYS A 29 -6.388 -0.033 1.224 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.405 2.876 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.493 0.660 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.802 2.348 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.429 2.230 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.920 0.636 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.839 2.083 1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.195 1.760 3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.404 4.121 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.744 3.975 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.567 5.238 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.969 3.713 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.150 4.644 1.001 1.00 0.00 H new ATOM 454 N ILE A 30 -4.842 1.512 3.675 1.00 0.00 N ATOM 455 CA ILE A 30 -3.800 1.815 4.709 1.00 0.00 C ATOM 456 C ILE A 30 -2.528 2.307 4.010 1.00 0.00 C ATOM 457 O ILE A 30 -1.870 3.224 4.463 1.00 0.00 O ATOM 458 CB ILE A 30 -3.547 0.479 5.428 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.816 0.048 6.171 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.401 0.639 6.439 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.609 -1.347 6.765 1.00 0.00 C ATOM 0 H ILE A 30 -5.213 0.562 3.704 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.109 2.590 5.410 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.277 -0.277 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.047 0.761 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.666 0.042 5.489 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.227 -0.311 6.945 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.494 0.943 5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.668 1.398 7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.511 -1.655 7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.398 -2.056 5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.770 -1.325 7.461 1.00 0.00 H new ATOM 473 N PHE A 31 -2.202 1.704 2.899 1.00 0.00 N ATOM 474 CA PHE A 31 -0.993 2.129 2.138 1.00 0.00 C ATOM 475 C PHE A 31 -1.275 3.463 1.442 1.00 0.00 C ATOM 476 O PHE A 31 -0.413 4.315 1.337 1.00 0.00 O ATOM 477 CB PHE A 31 -0.755 1.016 1.111 1.00 0.00 C ATOM 478 CG PHE A 31 0.009 -0.118 1.754 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.206 0.140 2.435 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.478 -1.428 1.665 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.915 -0.912 3.027 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.232 -2.480 2.258 1.00 0.00 C ATOM 483 CZ PHE A 31 1.428 -2.222 2.938 1.00 0.00 C ATOM 0 H PHE A 31 -2.724 0.932 2.484 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.121 2.274 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.708 0.653 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.197 1.407 0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.582 1.150 2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.400 -1.627 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.837 -0.713 3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.144 -3.490 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.975 -3.034 3.394 1.00 0.00 H new ATOM 493 N LYS A 32 -2.484 3.644 0.968 1.00 0.00 N ATOM 494 CA LYS A 32 -2.848 4.913 0.275 1.00 0.00 C ATOM 495 C LYS A 32 -3.141 6.037 1.280 1.00 0.00 C ATOM 496 O LYS A 32 -3.475 7.141 0.892 1.00 0.00 O ATOM 497 CB LYS A 32 -4.097 4.596 -0.541 1.00 0.00 C ATOM 498 CG LYS A 32 -3.689 3.898 -1.842 1.00 0.00 C ATOM 499 CD LYS A 32 -4.882 3.846 -2.804 1.00 0.00 C ATOM 500 CE LYS A 32 -6.018 3.017 -2.190 1.00 0.00 C ATOM 501 NZ LYS A 32 -7.067 4.010 -1.822 1.00 0.00 N ATOM 0 H LYS A 32 -3.238 2.960 1.034 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.028 5.264 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.768 3.957 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.643 5.513 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.860 4.432 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.339 2.888 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.232 4.856 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.574 3.409 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.400 2.284 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.675 2.464 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.694 3.601 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.616 4.867 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.624 4.255 -2.665 1.00 0.00 H new ATOM 515 N GLN A 33 -2.979 5.786 2.556 1.00 0.00 N ATOM 516 CA GLN A 33 -3.204 6.863 3.568 1.00 0.00 C ATOM 517 C GLN A 33 -1.828 7.212 4.107 1.00 0.00 C ATOM 518 O GLN A 33 -1.426 8.354 4.200 1.00 0.00 O ATOM 519 CB GLN A 33 -4.084 6.238 4.649 1.00 0.00 C ATOM 520 CG GLN A 33 -4.933 7.323 5.328 1.00 0.00 C ATOM 521 CD GLN A 33 -6.422 7.035 5.106 1.00 0.00 C ATOM 522 OE1 GLN A 33 -6.994 7.458 4.121 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.075 6.326 5.985 1.00 0.00 N ATOM 0 H GLN A 33 -2.701 4.883 2.940 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.684 7.762 3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.732 5.480 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.462 5.735 5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.715 7.353 6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.679 8.303 4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.595 5.971 6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.066 6.127 5.845 1.00 0.00 H new ATOM 532 N TYR A 34 -1.092 6.180 4.392 1.00 0.00 N ATOM 533 CA TYR A 34 0.313 6.300 4.860 1.00 0.00 C ATOM 534 C TYR A 34 1.106 7.163 3.853 1.00 0.00 C ATOM 535 O TYR A 34 1.890 8.015 4.224 1.00 0.00 O ATOM 536 CB TYR A 34 0.752 4.823 4.844 1.00 0.00 C ATOM 537 CG TYR A 34 2.258 4.673 4.733 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.060 4.811 5.873 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.846 4.394 3.494 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.449 4.669 5.774 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.235 4.254 3.395 1.00 0.00 C ATOM 542 CZ TYR A 34 5.037 4.391 4.534 1.00 0.00 C ATOM 543 OH TYR A 34 6.405 4.251 4.437 1.00 0.00 O ATOM 0 H TYR A 34 -1.421 5.218 4.316 1.00 0.00 H new ATOM 0 HA TYR A 34 0.459 6.777 5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.406 4.333 5.754 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.275 4.313 4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.606 5.027 6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.228 4.287 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.067 4.774 6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.689 4.040 2.439 1.00 0.00 H new ATOM 0 HH TYR A 34 6.759 3.903 5.282 1.00 0.00 H new ATOM 553 N ALA A 35 0.883 6.935 2.584 1.00 0.00 N ATOM 554 CA ALA A 35 1.589 7.723 1.525 1.00 0.00 C ATOM 555 C ALA A 35 1.215 9.204 1.631 1.00 0.00 C ATOM 556 O ALA A 35 2.067 10.071 1.613 1.00 0.00 O ATOM 557 CB ALA A 35 1.084 7.150 0.197 1.00 0.00 C ATOM 0 H ALA A 35 0.236 6.230 2.231 1.00 0.00 H new ATOM 0 HA ALA A 35 2.673 7.654 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.558 7.678 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.332 6.090 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.003 7.274 0.135 1.00 0.00 H new ATOM 563 N ASN A 36 -0.058 9.496 1.739 1.00 0.00 N ATOM 564 CA ASN A 36 -0.506 10.923 1.842 1.00 0.00 C ATOM 565 C ASN A 36 0.164 11.614 3.033 1.00 0.00 C ATOM 566 O ASN A 36 0.696 12.701 2.910 1.00 0.00 O ATOM 567 CB ASN A 36 -2.015 10.855 2.054 1.00 0.00 C ATOM 568 CG ASN A 36 -2.722 10.798 0.697 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.470 11.692 0.351 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.517 9.779 -0.092 1.00 0.00 N ATOM 0 H ASN A 36 -0.809 8.807 1.760 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.241 11.495 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.270 9.976 2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.353 11.726 2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.984 9.733 -0.998 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.890 9.028 0.197 1.00 0.00 H new ATOM 577 N ASP A 37 0.140 10.989 4.183 1.00 0.00 N ATOM 578 CA ASP A 37 0.772 11.604 5.396 1.00 0.00 C ATOM 579 C ASP A 37 2.240 11.948 5.130 1.00 0.00 C ATOM 580 O ASP A 37 2.805 12.828 5.751 1.00 0.00 O ATOM 581 CB ASP A 37 0.665 10.541 6.491 1.00 0.00 C ATOM 582 CG ASP A 37 -0.661 10.707 7.237 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.667 10.913 6.578 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.647 10.628 8.454 1.00 0.00 O ATOM 0 H ASP A 37 -0.290 10.077 4.337 1.00 0.00 H new ATOM 0 HA ASP A 37 0.278 12.534 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.725 9.545 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.499 10.634 7.186 1.00 0.00 H new ATOM 589 N ASN A 38 2.853 11.256 4.211 1.00 0.00 N ATOM 590 CA ASN A 38 4.277 11.520 3.886 1.00 0.00 C ATOM 591 C ASN A 38 4.393 12.382 2.624 1.00 0.00 C ATOM 592 O ASN A 38 5.370 13.081 2.430 1.00 0.00 O ATOM 593 CB ASN A 38 4.892 10.140 3.650 1.00 0.00 C ATOM 594 CG ASN A 38 5.439 9.594 4.969 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.297 10.198 5.581 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.977 8.466 5.436 1.00 0.00 N ATOM 0 H ASN A 38 2.420 10.510 3.666 1.00 0.00 H new ATOM 0 HA ASN A 38 4.783 12.064 4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.142 9.460 3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.692 10.208 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.336 8.092 6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.257 7.958 4.923 1.00 0.00 H new ATOM 603 N GLY A 39 3.406 12.330 1.765 1.00 0.00 N ATOM 604 CA GLY A 39 3.454 13.137 0.509 1.00 0.00 C ATOM 605 C GLY A 39 3.710 12.208 -0.679 1.00 0.00 C ATOM 606 O GLY A 39 4.315 12.592 -1.661 1.00 0.00 O ATOM 0 H GLY A 39 2.567 11.762 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.515 13.672 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.242 13.887 0.575 1.00 0.00 H new ATOM 610 N ILE A 40 3.253 10.986 -0.588 1.00 0.00 N ATOM 611 CA ILE A 40 3.461 10.011 -1.697 1.00 0.00 C ATOM 612 C ILE A 40 2.217 10.005 -2.591 1.00 0.00 C ATOM 613 O ILE A 40 1.177 9.485 -2.229 1.00 0.00 O ATOM 614 CB ILE A 40 3.704 8.674 -0.962 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.187 8.565 -0.623 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.305 7.449 -1.793 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.525 9.615 0.424 1.00 0.00 C ATOM 0 H ILE A 40 2.740 10.620 0.214 1.00 0.00 H new ATOM 0 HA ILE A 40 4.293 10.237 -2.363 1.00 0.00 H new ATOM 0 HB ILE A 40 3.080 8.680 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.417 7.568 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.791 8.715 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.500 6.542 -1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.244 7.504 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.887 7.429 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.583 9.549 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.307 10.607 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.927 9.442 1.319 1.00 0.00 H new ATOM 629 N ASP A 41 2.327 10.595 -3.746 1.00 0.00 N ATOM 630 CA ASP A 41 1.161 10.648 -4.681 1.00 0.00 C ATOM 631 C ASP A 41 1.634 10.641 -6.139 1.00 0.00 C ATOM 632 O ASP A 41 2.084 11.643 -6.661 1.00 0.00 O ATOM 633 CB ASP A 41 0.452 11.963 -4.353 1.00 0.00 C ATOM 634 CG ASP A 41 -1.064 11.755 -4.402 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.512 10.701 -3.979 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.750 12.653 -4.862 1.00 0.00 O ATOM 0 H ASP A 41 3.176 11.046 -4.088 1.00 0.00 H new ATOM 0 HA ASP A 41 0.504 9.786 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.750 12.312 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.747 12.734 -5.065 1.00 0.00 H new ATOM 641 N GLY A 42 1.528 9.514 -6.796 1.00 0.00 N ATOM 642 CA GLY A 42 1.961 9.421 -8.221 1.00 0.00 C ATOM 643 C GLY A 42 1.183 8.301 -8.919 1.00 0.00 C ATOM 644 O GLY A 42 0.303 8.552 -9.721 1.00 0.00 O ATOM 0 H GLY A 42 1.157 8.649 -6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.787 10.370 -8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.032 9.223 -8.275 1.00 0.00 H new ATOM 648 N GLU A 43 1.503 7.067 -8.618 1.00 0.00 N ATOM 649 CA GLU A 43 0.787 5.919 -9.258 1.00 0.00 C ATOM 650 C GLU A 43 0.449 4.858 -8.205 1.00 0.00 C ATOM 651 O GLU A 43 0.889 4.942 -7.082 1.00 0.00 O ATOM 652 CB GLU A 43 1.774 5.359 -10.284 1.00 0.00 C ATOM 653 CG GLU A 43 1.923 6.348 -11.440 1.00 0.00 C ATOM 654 CD GLU A 43 2.523 5.631 -12.652 1.00 0.00 C ATOM 655 OE1 GLU A 43 3.706 5.336 -12.615 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.789 5.391 -13.596 1.00 0.00 O ATOM 0 H GLU A 43 2.232 6.804 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.153 6.222 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.742 5.183 -9.815 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.421 4.398 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.952 6.771 -11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.563 7.178 -11.142 1.00 0.00 H new ATOM 663 N TRP A 44 -0.326 3.864 -8.568 1.00 0.00 N ATOM 664 CA TRP A 44 -0.700 2.784 -7.595 1.00 0.00 C ATOM 665 C TRP A 44 -1.050 1.503 -8.345 1.00 0.00 C ATOM 666 O TRP A 44 -1.883 1.502 -9.233 1.00 0.00 O ATOM 667 CB TRP A 44 -1.935 3.308 -6.856 1.00 0.00 C ATOM 668 CG TRP A 44 -1.503 4.133 -5.697 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.364 5.479 -5.689 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.156 3.674 -4.372 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.929 5.870 -4.435 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.789 4.790 -3.587 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.121 2.401 -3.786 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.395 4.645 -2.258 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.728 2.250 -2.448 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.363 3.371 -1.688 1.00 0.00 C ATOM 0 H TRP A 44 -0.719 3.752 -9.503 1.00 0.00 H new ATOM 0 HA TRP A 44 0.117 2.554 -6.912 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.551 3.903 -7.530 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.549 2.475 -6.515 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.560 6.138 -6.522 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.736 6.836 -4.170 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.398 1.533 -4.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.117 5.510 -1.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.706 1.267 -2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.057 3.248 -0.660 1.00 0.00 H new ATOM 687 N THR A 45 -0.425 0.412 -7.988 1.00 0.00 N ATOM 688 CA THR A 45 -0.724 -0.883 -8.673 1.00 0.00 C ATOM 689 C THR A 45 -0.642 -2.016 -7.663 1.00 0.00 C ATOM 690 O THR A 45 0.302 -2.106 -6.904 1.00 0.00 O ATOM 691 CB THR A 45 0.346 -1.074 -9.763 1.00 0.00 C ATOM 692 OG1 THR A 45 1.562 -1.508 -9.170 1.00 0.00 O ATOM 693 CG2 THR A 45 0.585 0.235 -10.512 1.00 0.00 C ATOM 0 H THR A 45 0.279 0.360 -7.252 1.00 0.00 H new ATOM 0 HA THR A 45 -1.723 -0.879 -9.109 1.00 0.00 H new ATOM 0 HB THR A 45 -0.007 -1.826 -10.469 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.240 -1.630 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.344 0.082 -11.279 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.344 0.561 -10.981 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.925 0.998 -9.812 1.00 0.00 H new ATOM 701 N TYR A 46 -1.616 -2.878 -7.656 1.00 0.00 N ATOM 702 CA TYR A 46 -1.600 -4.019 -6.697 1.00 0.00 C ATOM 703 C TYR A 46 -1.007 -5.262 -7.377 1.00 0.00 C ATOM 704 O TYR A 46 -1.255 -5.525 -8.539 1.00 0.00 O ATOM 705 CB TYR A 46 -3.071 -4.233 -6.306 1.00 0.00 C ATOM 706 CG TYR A 46 -3.209 -5.519 -5.519 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.489 -5.689 -4.333 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.035 -6.546 -5.990 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.599 -6.881 -3.612 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.143 -7.742 -5.272 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.426 -7.910 -4.082 1.00 0.00 C ATOM 712 OH TYR A 46 -3.531 -9.091 -3.376 1.00 0.00 O ATOM 0 H TYR A 46 -2.426 -2.844 -8.274 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.985 -3.826 -5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.425 -3.391 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.693 -4.274 -7.200 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.847 -4.898 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.589 -6.415 -6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.047 -7.009 -2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.779 -8.535 -5.636 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.146 -9.696 -3.840 1.00 0.00 H new ATOM 722 N ASP A 47 -0.234 -6.025 -6.649 1.00 0.00 N ATOM 723 CA ASP A 47 0.373 -7.257 -7.229 1.00 0.00 C ATOM 724 C ASP A 47 -0.253 -8.495 -6.583 1.00 0.00 C ATOM 725 O ASP A 47 0.105 -8.885 -5.487 1.00 0.00 O ATOM 726 CB ASP A 47 1.862 -7.167 -6.892 1.00 0.00 C ATOM 727 CG ASP A 47 2.660 -8.016 -7.883 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.817 -7.583 -9.011 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.097 -9.087 -7.496 1.00 0.00 O ATOM 0 H ASP A 47 0.003 -5.846 -5.673 1.00 0.00 H new ATOM 0 HA ASP A 47 0.209 -7.336 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.194 -6.130 -6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.037 -7.515 -5.874 1.00 0.00 H new ATOM 734 N ASP A 48 -1.189 -9.113 -7.262 1.00 0.00 N ATOM 735 CA ASP A 48 -1.859 -10.331 -6.701 1.00 0.00 C ATOM 736 C ASP A 48 -0.915 -11.548 -6.697 1.00 0.00 C ATOM 737 O ASP A 48 -1.276 -12.610 -6.223 1.00 0.00 O ATOM 738 CB ASP A 48 -3.062 -10.587 -7.617 1.00 0.00 C ATOM 739 CG ASP A 48 -2.585 -10.806 -9.056 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.105 -11.891 -9.343 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.709 -9.885 -9.847 1.00 0.00 O ATOM 0 H ASP A 48 -1.520 -8.826 -8.183 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.154 -10.176 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.614 -11.461 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.747 -9.740 -7.577 1.00 0.00 H new ATOM 746 N ALA A 49 0.283 -11.406 -7.210 1.00 0.00 N ATOM 747 CA ALA A 49 1.239 -12.551 -7.225 1.00 0.00 C ATOM 748 C ALA A 49 2.125 -12.501 -5.978 1.00 0.00 C ATOM 749 O ALA A 49 2.618 -13.513 -5.519 1.00 0.00 O ATOM 750 CB ALA A 49 2.077 -12.355 -8.489 1.00 0.00 C ATOM 0 H ALA A 49 0.639 -10.542 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 49 0.733 -13.517 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.806 -13.161 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.425 -12.365 -9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.598 -11.399 -8.436 1.00 0.00 H new ATOM 756 N THR A 50 2.316 -11.330 -5.422 1.00 0.00 N ATOM 757 CA THR A 50 3.154 -11.207 -4.195 1.00 0.00 C ATOM 758 C THR A 50 2.416 -10.390 -3.129 1.00 0.00 C ATOM 759 O THR A 50 2.983 -10.030 -2.115 1.00 0.00 O ATOM 760 CB THR A 50 4.419 -10.476 -4.649 1.00 0.00 C ATOM 761 OG1 THR A 50 4.064 -9.214 -5.193 1.00 0.00 O ATOM 762 CG2 THR A 50 5.137 -11.308 -5.710 1.00 0.00 C ATOM 0 H THR A 50 1.926 -10.453 -5.768 1.00 0.00 H new ATOM 0 HA THR A 50 3.380 -12.177 -3.752 1.00 0.00 H new ATOM 0 HB THR A 50 5.082 -10.330 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.058 -9.270 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.038 -10.787 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.409 -12.277 -5.290 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.477 -11.455 -6.565 1.00 0.00 H new ATOM 770 N LYS A 51 1.150 -10.084 -3.350 1.00 0.00 N ATOM 771 CA LYS A 51 0.372 -9.280 -2.350 1.00 0.00 C ATOM 772 C LYS A 51 1.104 -7.972 -2.036 1.00 0.00 C ATOM 773 O LYS A 51 1.183 -7.553 -0.897 1.00 0.00 O ATOM 774 CB LYS A 51 0.271 -10.158 -1.096 1.00 0.00 C ATOM 775 CG LYS A 51 -0.443 -11.467 -1.441 1.00 0.00 C ATOM 776 CD LYS A 51 -1.948 -11.215 -1.557 1.00 0.00 C ATOM 777 CE LYS A 51 -2.680 -12.550 -1.715 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.087 -12.267 -1.318 1.00 0.00 N ATOM 0 H LYS A 51 0.626 -10.359 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.614 -9.011 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.267 -10.367 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.274 -9.630 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.058 -11.867 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.247 -12.214 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.309 -10.693 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.155 -10.572 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.625 -12.911 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.238 -13.320 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.652 -13.136 -1.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.109 -11.931 -0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.483 -11.536 -1.942 1.00 0.00 H new ATOM 792 N THR A 52 1.645 -7.334 -3.042 1.00 0.00 N ATOM 793 CA THR A 52 2.381 -6.051 -2.809 1.00 0.00 C ATOM 794 C THR A 52 1.899 -4.972 -3.783 1.00 0.00 C ATOM 795 O THR A 52 1.750 -5.215 -4.965 1.00 0.00 O ATOM 796 CB THR A 52 3.851 -6.387 -3.065 1.00 0.00 C ATOM 797 OG1 THR A 52 4.226 -7.500 -2.265 1.00 0.00 O ATOM 798 CG2 THR A 52 4.721 -5.182 -2.705 1.00 0.00 C ATOM 0 H THR A 52 1.610 -7.644 -4.013 1.00 0.00 H new ATOM 0 HA THR A 52 2.219 -5.661 -1.804 1.00 0.00 H new ATOM 0 HB THR A 52 3.991 -6.632 -4.118 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.153 -8.322 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.768 -5.422 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.432 -4.328 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.583 -4.935 -1.652 1.00 0.00 H new ATOM 806 N PHE A 53 1.660 -3.780 -3.293 1.00 0.00 N ATOM 807 CA PHE A 53 1.192 -2.679 -4.188 1.00 0.00 C ATOM 808 C PHE A 53 2.404 -1.929 -4.765 1.00 0.00 C ATOM 809 O PHE A 53 3.527 -2.383 -4.635 1.00 0.00 O ATOM 810 CB PHE A 53 0.344 -1.771 -3.294 1.00 0.00 C ATOM 811 CG PHE A 53 -0.935 -2.484 -2.904 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.916 -3.466 -1.902 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.143 -2.162 -3.538 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.103 -4.121 -1.536 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.325 -2.818 -3.171 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.304 -3.794 -2.171 1.00 0.00 C ATOM 0 H PHE A 53 1.769 -3.523 -2.312 1.00 0.00 H new ATOM 0 HA PHE A 53 0.615 -3.041 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.906 -1.498 -2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.109 -0.845 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.013 -3.718 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.162 -1.407 -4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.088 -4.877 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.254 -2.569 -3.662 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.217 -4.296 -1.889 1.00 0.00 H new ATOM 826 N THR A 54 2.203 -0.789 -5.396 1.00 0.00 N ATOM 827 CA THR A 54 3.357 -0.034 -5.965 1.00 0.00 C ATOM 828 C THR A 54 2.959 1.427 -6.075 1.00 0.00 C ATOM 829 O THR A 54 2.178 1.799 -6.929 1.00 0.00 O ATOM 830 CB THR A 54 3.607 -0.629 -7.353 1.00 0.00 C ATOM 831 OG1 THR A 54 3.380 -2.032 -7.322 1.00 0.00 O ATOM 832 CG2 THR A 54 5.052 -0.354 -7.771 1.00 0.00 C ATOM 0 H THR A 54 1.290 -0.356 -5.537 1.00 0.00 H new ATOM 0 HA THR A 54 4.254 -0.103 -5.350 1.00 0.00 H new ATOM 0 HB THR A 54 2.926 -0.171 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.673 -2.263 -7.960 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.232 -0.777 -8.759 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.224 0.722 -7.800 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.732 -0.811 -7.052 1.00 0.00 H new ATOM 840 N VAL A 55 3.466 2.250 -5.203 1.00 0.00 N ATOM 841 CA VAL A 55 3.084 3.689 -5.238 1.00 0.00 C ATOM 842 C VAL A 55 4.287 4.575 -5.559 1.00 0.00 C ATOM 843 O VAL A 55 5.334 4.475 -4.950 1.00 0.00 O ATOM 844 CB VAL A 55 2.499 3.991 -3.847 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.496 3.608 -2.751 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.165 5.481 -3.732 1.00 0.00 C ATOM 0 H VAL A 55 4.126 1.991 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 55 2.357 3.897 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 55 1.590 3.403 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.065 3.829 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.718 2.543 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.415 4.179 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.752 5.686 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.071 6.069 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.434 5.750 -4.494 1.00 0.00 H new ATOM 856 N THR A 56 4.123 5.450 -6.516 1.00 0.00 N ATOM 857 CA THR A 56 5.228 6.368 -6.898 1.00 0.00 C ATOM 858 C THR A 56 4.730 7.817 -6.844 1.00 0.00 C ATOM 859 O THR A 56 3.633 8.084 -6.392 1.00 0.00 O ATOM 860 CB THR A 56 5.648 5.910 -8.318 1.00 0.00 C ATOM 861 OG1 THR A 56 7.057 6.038 -8.445 1.00 0.00 O ATOM 862 CG2 THR A 56 4.966 6.716 -9.437 1.00 0.00 C ATOM 0 H THR A 56 3.263 5.566 -7.052 1.00 0.00 H new ATOM 0 HA THR A 56 6.086 6.333 -6.227 1.00 0.00 H new ATOM 0 HB THR A 56 5.331 4.873 -8.431 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.338 5.705 -9.323 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.301 6.348 -10.407 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.885 6.603 -9.360 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.228 7.769 -9.339 1.00 0.00 H new ATOM 870 N GLU A 57 5.525 8.744 -7.303 1.00 0.00 N ATOM 871 CA GLU A 57 5.098 10.176 -7.282 1.00 0.00 C ATOM 872 C GLU A 57 5.172 10.770 -8.691 1.00 0.00 C ATOM 873 O GLU A 57 6.258 11.152 -9.095 1.00 0.00 O ATOM 874 CB GLU A 57 6.091 10.873 -6.352 1.00 0.00 C ATOM 875 CG GLU A 57 5.469 12.164 -5.816 1.00 0.00 C ATOM 876 CD GLU A 57 6.577 13.105 -5.343 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.291 12.732 -4.426 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.693 14.182 -5.905 1.00 0.00 O ATOM 879 OXT GLU A 57 4.142 10.832 -9.341 1.00 0.00 O ATOM 0 H GLU A 57 6.452 8.574 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 57 4.070 10.295 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.355 10.214 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.013 11.097 -6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.876 12.645 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.792 11.939 -4.992 1.00 0.00 H new TER 886 GLU A 57