USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 310 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= -1.25 (180deg=-1.39) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 6 GLN : amide:sc= -0.0972 K(o=-0.097,f=-0.82) USER MOD Single : A 12 ASN : amide:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 75:sc= 0.936 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.135 F(o=-0.78,f=-0.14) USER MOD Single : A 32 ASN : amide:sc= -0.414 K(o=-0.41,f=-3.4!) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0516) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.739 K(o=-0.74,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.335 0.003 0.164 1.00 0.00 N ATOM 2 CA MET A 1 2.083 -0.014 -1.088 1.00 0.00 C ATOM 3 C MET A 1 1.683 1.160 -1.977 1.00 0.00 C ATOM 4 O MET A 1 1.760 1.076 -3.203 1.00 0.00 O ATOM 5 CB MET A 1 1.848 -1.332 -1.829 1.00 0.00 C ATOM 6 CG MET A 1 3.012 -1.749 -2.712 1.00 0.00 C ATOM 7 SD MET A 1 2.769 -3.370 -3.464 1.00 0.00 S ATOM 8 CE MET A 1 3.258 -4.445 -2.116 1.00 0.00 C ATOM 0 H1 MET A 1 1.998 -0.008 0.965 1.00 0.00 H new ATOM 0 H2 MET A 1 0.753 0.863 0.209 1.00 0.00 H new ATOM 0 H3 MET A 1 0.720 -0.834 0.212 1.00 0.00 H new ATOM 0 HA MET A 1 3.143 0.078 -0.850 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.655 -2.119 -1.100 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.952 -1.239 -2.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.151 -1.006 -3.497 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.926 -1.762 -2.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.162 -5.485 -2.427 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.294 -4.241 -1.845 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.615 -4.264 -1.254 1.00 0.00 H new ATOM 18 N ILE A 2 1.257 2.251 -1.350 1.00 0.00 N ATOM 19 CA ILE A 2 0.846 3.441 -2.085 1.00 0.00 C ATOM 20 C ILE A 2 1.354 4.709 -1.405 1.00 0.00 C ATOM 21 O ILE A 2 1.818 5.638 -2.067 1.00 0.00 O ATOM 22 CB ILE A 2 -0.686 3.521 -2.216 1.00 0.00 C ATOM 23 CG1 ILE A 2 -1.242 2.205 -2.765 1.00 0.00 C ATOM 24 CG2 ILE A 2 -1.081 4.685 -3.114 1.00 0.00 C ATOM 25 CD1 ILE A 2 -1.695 1.245 -1.688 1.00 0.00 C ATOM 0 H ILE A 2 1.187 2.336 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 2 1.284 3.364 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.112 3.690 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.083 2.422 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.477 1.722 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.167 4.728 -3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.712 5.617 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.647 4.544 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.077 0.334 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.852 0.998 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.483 1.709 -1.095 1.00 0.00 H new ATOM 37 N THR A 3 1.264 4.739 -0.079 1.00 0.00 N ATOM 38 CA THR A 3 1.714 5.892 0.691 1.00 0.00 C ATOM 39 C THR A 3 1.893 5.534 2.162 1.00 0.00 C ATOM 40 O THR A 3 1.234 4.630 2.675 1.00 0.00 O ATOM 41 CB THR A 3 0.724 7.066 0.576 1.00 0.00 C ATOM 42 OG1 THR A 3 1.193 8.179 1.345 1.00 0.00 O ATOM 43 CG2 THR A 3 -0.659 6.656 1.058 1.00 0.00 C ATOM 0 H THR A 3 0.884 3.978 0.484 1.00 0.00 H new ATOM 0 HA THR A 3 2.674 6.195 0.274 1.00 0.00 H new ATOM 0 HB THR A 3 0.655 7.354 -0.473 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.559 8.922 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.341 7.501 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.025 5.828 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.603 6.345 2.101 1.00 0.00 H new ATOM 51 N ASP A 4 2.787 6.250 2.835 1.00 0.00 N ATOM 52 CA ASP A 4 3.050 6.009 4.249 1.00 0.00 C ATOM 53 C ASP A 4 3.538 4.581 4.476 1.00 0.00 C ATOM 54 O ASP A 4 3.362 4.018 5.556 1.00 0.00 O ATOM 55 CB ASP A 4 1.790 6.268 5.076 1.00 0.00 C ATOM 56 CG ASP A 4 2.102 6.858 6.438 1.00 0.00 C ATOM 57 OD1 ASP A 4 2.415 8.065 6.504 1.00 0.00 O ATOM 58 OD2 ASP A 4 2.035 6.112 7.437 1.00 0.00 O ATOM 0 H ASP A 4 3.341 7.001 2.425 1.00 0.00 H new ATOM 0 HA ASP A 4 3.833 6.696 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.134 6.947 4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.245 5.333 5.205 1.00 0.00 H new ATOM 63 N VAL A 5 4.150 4.000 3.449 1.00 0.00 N ATOM 64 CA VAL A 5 4.663 2.638 3.535 1.00 0.00 C ATOM 65 C VAL A 5 5.879 2.566 4.451 1.00 0.00 C ATOM 66 O VAL A 5 6.290 1.484 4.868 1.00 0.00 O ATOM 67 CB VAL A 5 5.046 2.094 2.147 1.00 0.00 C ATOM 68 CG1 VAL A 5 5.426 0.623 2.236 1.00 0.00 C ATOM 69 CG2 VAL A 5 3.906 2.300 1.161 1.00 0.00 C ATOM 0 H VAL A 5 4.303 4.452 2.547 1.00 0.00 H new ATOM 0 HA VAL A 5 3.863 2.024 3.949 1.00 0.00 H new ATOM 0 HB VAL A 5 5.913 2.647 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.694 0.256 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.276 0.507 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.580 0.051 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.194 1.910 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.019 1.774 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.687 3.364 1.076 1.00 0.00 H new ATOM 79 N GLN A 6 6.450 3.726 4.760 1.00 0.00 N ATOM 80 CA GLN A 6 7.621 3.794 5.627 1.00 0.00 C ATOM 81 C GLN A 6 7.288 3.301 7.031 1.00 0.00 C ATOM 82 O GLN A 6 8.045 2.534 7.627 1.00 0.00 O ATOM 83 CB GLN A 6 8.153 5.227 5.689 1.00 0.00 C ATOM 84 CG GLN A 6 8.195 5.919 4.336 1.00 0.00 C ATOM 85 CD GLN A 6 8.892 5.089 3.277 1.00 0.00 C ATOM 86 OE1 GLN A 6 9.825 4.342 3.571 1.00 0.00 O ATOM 87 NE2 GLN A 6 8.441 5.215 2.034 1.00 0.00 N ATOM 0 H GLN A 6 6.121 4.631 4.423 1.00 0.00 H new ATOM 0 HA GLN A 6 8.391 3.146 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.528 5.809 6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.157 5.215 6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.177 6.135 4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.707 6.876 4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.665 5.846 1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.871 4.681 1.279 1.00 0.00 H new ATOM 96 N LEU A 7 6.151 3.747 7.555 1.00 0.00 N ATOM 97 CA LEU A 7 5.717 3.352 8.890 1.00 0.00 C ATOM 98 C LEU A 7 5.665 1.833 9.018 1.00 0.00 C ATOM 99 O LEU A 7 5.918 1.281 10.089 1.00 0.00 O ATOM 100 CB LEU A 7 4.342 3.948 9.198 1.00 0.00 C ATOM 101 CG LEU A 7 3.643 3.413 10.448 1.00 0.00 C ATOM 102 CD1 LEU A 7 3.413 4.532 11.452 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.326 2.746 10.079 1.00 0.00 C ATOM 0 H LEU A 7 5.513 4.382 7.075 1.00 0.00 H new ATOM 0 HA LEU A 7 6.442 3.735 9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.451 5.028 9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.692 3.774 8.340 1.00 0.00 H new ATOM 0 HG LEU A 7 4.289 2.666 10.910 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.914 4.132 12.335 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.371 4.964 11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.788 5.303 11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.843 2.371 10.981 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.674 3.472 9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.517 1.916 9.398 1.00 0.00 H new ATOM 115 N ALA A 8 5.337 1.162 7.919 1.00 0.00 N ATOM 116 CA ALA A 8 5.257 -0.293 7.907 1.00 0.00 C ATOM 117 C ALA A 8 6.528 -0.918 8.472 1.00 0.00 C ATOM 118 O ALA A 8 6.479 -1.948 9.144 1.00 0.00 O ATOM 119 CB ALA A 8 5.001 -0.797 6.494 1.00 0.00 C ATOM 0 H ALA A 8 5.122 1.603 7.025 1.00 0.00 H new ATOM 0 HA ALA A 8 4.424 -0.591 8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.944 -1.885 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.061 -0.386 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.815 -0.481 5.842 1.00 0.00 H new ATOM 125 N ILE A 9 7.665 -0.289 8.193 1.00 0.00 N ATOM 126 CA ILE A 9 8.949 -0.784 8.673 1.00 0.00 C ATOM 127 C ILE A 9 9.045 -0.680 10.192 1.00 0.00 C ATOM 128 O ILE A 9 9.725 -1.478 10.838 1.00 0.00 O ATOM 129 CB ILE A 9 10.122 -0.011 8.042 1.00 0.00 C ATOM 130 CG1 ILE A 9 10.064 -0.110 6.516 1.00 0.00 C ATOM 131 CG2 ILE A 9 11.449 -0.544 8.563 1.00 0.00 C ATOM 132 CD1 ILE A 9 11.020 0.829 5.814 1.00 0.00 C ATOM 0 H ILE A 9 7.723 0.564 7.637 1.00 0.00 H new ATOM 0 HA ILE A 9 9.014 -1.831 8.378 1.00 0.00 H new ATOM 0 HB ILE A 9 10.039 1.039 8.323 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.288 -1.134 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.048 0.104 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.268 0.012 8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.488 -0.427 9.646 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.542 -1.600 8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.925 0.705 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.783 1.858 6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 9 12.042 0.601 6.117 1.00 0.00 H new ATOM 144 N PHE A 10 8.358 0.308 10.756 1.00 0.00 N ATOM 145 CA PHE A 10 8.364 0.516 12.200 1.00 0.00 C ATOM 146 C PHE A 10 7.366 -0.411 12.887 1.00 0.00 C ATOM 147 O PHE A 10 7.553 -0.796 14.041 1.00 0.00 O ATOM 148 CB PHE A 10 8.034 1.974 12.527 1.00 0.00 C ATOM 149 CG PHE A 10 8.407 2.373 13.926 1.00 0.00 C ATOM 150 CD1 PHE A 10 9.672 2.103 14.423 1.00 0.00 C ATOM 151 CD2 PHE A 10 7.494 3.018 14.744 1.00 0.00 C ATOM 152 CE1 PHE A 10 10.020 2.470 15.710 1.00 0.00 C ATOM 153 CE2 PHE A 10 7.835 3.387 16.032 1.00 0.00 C ATOM 154 CZ PHE A 10 9.099 3.112 16.515 1.00 0.00 C ATOM 0 H PHE A 10 7.790 0.977 10.236 1.00 0.00 H new ATOM 0 HA PHE A 10 9.362 0.285 12.572 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.553 2.623 11.822 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.966 2.138 12.383 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.395 1.600 13.798 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.504 3.235 14.371 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.010 2.255 16.085 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.114 3.890 16.659 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.367 3.399 17.521 1.00 0.00 H new ATOM 164 N ALA A 11 6.305 -0.765 12.170 1.00 0.00 N ATOM 165 CA ALA A 11 5.278 -1.647 12.709 1.00 0.00 C ATOM 166 C ALA A 11 5.685 -3.110 12.576 1.00 0.00 C ATOM 167 O ALA A 11 5.490 -3.905 13.495 1.00 0.00 O ATOM 168 CB ALA A 11 3.950 -1.401 12.008 1.00 0.00 C ATOM 0 H ALA A 11 6.134 -0.454 11.214 1.00 0.00 H new ATOM 0 HA ALA A 11 5.163 -1.424 13.770 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.192 -2.067 12.421 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.645 -0.366 12.159 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.061 -1.594 10.941 1.00 0.00 H new ATOM 174 N ASN A 12 6.253 -3.459 11.426 1.00 0.00 N ATOM 175 CA ASN A 12 6.687 -4.828 11.173 1.00 0.00 C ATOM 176 C ASN A 12 7.810 -5.228 12.125 1.00 0.00 C ATOM 177 O ASN A 12 7.878 -6.371 12.576 1.00 0.00 O ATOM 178 CB ASN A 12 7.154 -4.977 9.723 1.00 0.00 C ATOM 179 CG ASN A 12 6.719 -6.293 9.108 1.00 0.00 C ATOM 180 OD1 ASN A 12 7.550 -7.121 8.734 1.00 0.00 O ATOM 181 ND2 ASN A 12 5.410 -6.491 8.999 1.00 0.00 N ATOM 0 H ASN A 12 6.423 -2.813 10.655 1.00 0.00 H new ATOM 0 HA ASN A 12 5.838 -5.490 11.344 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.757 -4.153 9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.241 -4.903 9.685 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.057 -7.357 8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.758 -5.777 9.322 1.00 0.00 H new ATOM 188 N MET A 13 8.689 -4.277 12.426 1.00 0.00 N ATOM 189 CA MET A 13 9.808 -4.530 13.326 1.00 0.00 C ATOM 190 C MET A 13 9.330 -4.643 14.770 1.00 0.00 C ATOM 191 O MET A 13 9.882 -5.412 15.559 1.00 0.00 O ATOM 192 CB MET A 13 10.847 -3.413 13.207 1.00 0.00 C ATOM 193 CG MET A 13 11.742 -3.283 14.429 1.00 0.00 C ATOM 194 SD MET A 13 13.048 -2.059 14.207 1.00 0.00 S ATOM 195 CE MET A 13 14.476 -2.982 14.769 1.00 0.00 C ATOM 0 H MET A 13 8.648 -3.326 12.060 1.00 0.00 H new ATOM 0 HA MET A 13 10.266 -5.476 13.039 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.468 -3.597 12.330 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.333 -2.466 13.041 1.00 0.00 H new ATOM 0 HG2 MET A 13 11.135 -3.008 15.292 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.191 -4.251 14.650 1.00 0.00 H new ATOM 0 HE1 MET A 13 15.366 -2.358 14.692 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.331 -3.281 15.807 1.00 0.00 H new ATOM 0 HE3 MET A 13 14.602 -3.870 14.150 1.00 0.00 H new ATOM 205 N LEU A 14 8.302 -3.874 15.110 1.00 0.00 N ATOM 206 CA LEU A 14 7.749 -3.889 16.460 1.00 0.00 C ATOM 207 C LEU A 14 7.210 -5.272 16.813 1.00 0.00 C ATOM 208 O LEU A 14 7.006 -5.589 17.984 1.00 0.00 O ATOM 209 CB LEU A 14 6.636 -2.847 16.588 1.00 0.00 C ATOM 210 CG LEU A 14 6.599 -2.062 17.900 1.00 0.00 C ATOM 211 CD1 LEU A 14 6.322 -2.992 19.071 1.00 0.00 C ATOM 212 CD2 LEU A 14 7.906 -1.312 18.109 1.00 0.00 C ATOM 0 H LEU A 14 7.834 -3.232 14.470 1.00 0.00 H new ATOM 0 HA LEU A 14 8.550 -3.643 17.157 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.733 -2.138 15.766 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.678 -3.351 16.462 1.00 0.00 H new ATOM 0 HG LEU A 14 5.790 -1.333 17.843 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.299 -2.416 19.996 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.360 -3.483 18.926 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.108 -3.745 19.132 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.862 -0.759 19.047 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.732 -2.023 18.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.062 -0.616 17.285 1.00 0.00 H new ATOM 224 N GLY A 15 6.984 -6.092 15.791 1.00 0.00 N ATOM 225 CA GLY A 15 6.473 -7.432 16.015 1.00 0.00 C ATOM 226 C GLY A 15 7.498 -8.503 15.699 1.00 0.00 C ATOM 227 O GLY A 15 7.596 -9.506 16.406 1.00 0.00 O ATOM 0 H GLY A 15 7.145 -5.853 14.813 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.159 -7.529 17.054 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.587 -7.588 15.399 1.00 0.00 H new ATOM 231 N VAL A 16 8.264 -8.292 14.633 1.00 0.00 N ATOM 232 CA VAL A 16 9.286 -9.247 14.225 1.00 0.00 C ATOM 233 C VAL A 16 10.213 -9.591 15.386 1.00 0.00 C ATOM 234 O VAL A 16 10.832 -10.654 15.405 1.00 0.00 O ATOM 235 CB VAL A 16 10.127 -8.704 13.054 1.00 0.00 C ATOM 236 CG1 VAL A 16 11.404 -9.514 12.893 1.00 0.00 C ATOM 237 CG2 VAL A 16 9.316 -8.710 11.768 1.00 0.00 C ATOM 0 H VAL A 16 8.195 -7.467 14.037 1.00 0.00 H new ATOM 0 HA VAL A 16 8.765 -10.148 13.901 1.00 0.00 H new ATOM 0 HB VAL A 16 10.405 -7.674 13.276 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.985 -9.116 12.061 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.992 -9.452 13.809 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.152 -10.555 12.694 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.926 -8.323 10.951 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.006 -9.729 11.538 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.434 -8.082 11.891 1.00 0.00 H new ATOM 247 N SER A 17 10.303 -8.683 16.352 1.00 0.00 N ATOM 248 CA SER A 17 11.156 -8.888 17.516 1.00 0.00 C ATOM 249 C SER A 17 10.591 -9.980 18.419 1.00 0.00 C ATOM 250 O SER A 17 11.299 -10.912 18.804 1.00 0.00 O ATOM 251 CB SER A 17 11.302 -7.585 18.304 1.00 0.00 C ATOM 252 OG SER A 17 11.593 -6.498 17.443 1.00 0.00 O ATOM 0 H SER A 17 9.796 -7.798 16.351 1.00 0.00 H new ATOM 0 HA SER A 17 12.138 -9.204 17.164 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.382 -7.383 18.852 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.096 -7.690 19.043 1.00 0.00 H new ATOM 0 HG SER A 17 10.783 -6.243 16.953 1.00 0.00 H new ATOM 258 N LEU A 18 9.311 -9.860 18.753 1.00 0.00 N ATOM 259 CA LEU A 18 8.649 -10.836 19.611 1.00 0.00 C ATOM 260 C LEU A 18 8.484 -12.171 18.890 1.00 0.00 C ATOM 261 O LEU A 18 8.397 -13.223 19.523 1.00 0.00 O ATOM 262 CB LEU A 18 7.282 -10.311 20.054 1.00 0.00 C ATOM 263 CG LEU A 18 7.212 -8.821 20.389 1.00 0.00 C ATOM 264 CD1 LEU A 18 5.825 -8.451 20.891 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.269 -8.457 21.422 1.00 0.00 C ATOM 0 H LEU A 18 8.711 -9.096 18.443 1.00 0.00 H new ATOM 0 HA LEU A 18 9.274 -10.993 20.490 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.561 -10.519 19.263 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.965 -10.875 20.931 1.00 0.00 H new ATOM 0 HG LEU A 18 7.410 -8.254 19.479 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.794 -7.387 21.124 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.087 -8.675 20.120 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.598 -9.026 21.789 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.205 -7.393 21.649 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.102 -9.033 22.332 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.259 -8.685 21.026 1.00 0.00 H new ATOM 277 N PHE A 19 8.444 -12.119 17.563 1.00 0.00 N ATOM 278 CA PHE A 19 8.291 -13.324 16.755 1.00 0.00 C ATOM 279 C PHE A 19 9.614 -14.076 16.645 1.00 0.00 C ATOM 280 O PHE A 19 9.748 -15.196 17.142 1.00 0.00 O ATOM 281 CB PHE A 19 7.777 -12.966 15.359 1.00 0.00 C ATOM 282 CG PHE A 19 7.504 -14.165 14.496 1.00 0.00 C ATOM 283 CD1 PHE A 19 7.091 -15.361 15.059 1.00 0.00 C ATOM 284 CD2 PHE A 19 7.660 -14.095 13.121 1.00 0.00 C ATOM 285 CE1 PHE A 19 6.839 -16.465 14.267 1.00 0.00 C ATOM 286 CE2 PHE A 19 7.410 -15.195 12.324 1.00 0.00 C ATOM 287 CZ PHE A 19 6.998 -16.382 12.898 1.00 0.00 C ATOM 0 H PHE A 19 8.515 -11.256 17.024 1.00 0.00 H new ATOM 0 HA PHE A 19 7.565 -13.971 17.247 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.862 -12.382 15.456 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.510 -12.330 14.863 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.964 -15.432 16.129 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.981 -13.169 12.667 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.518 -17.392 14.719 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.536 -15.127 11.254 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.801 -17.243 12.277 1.00 0.00 H new ATOM 297 N LEU A 20 10.589 -13.455 15.991 1.00 0.00 N ATOM 298 CA LEU A 20 11.902 -14.064 15.814 1.00 0.00 C ATOM 299 C LEU A 20 12.458 -14.556 17.147 1.00 0.00 C ATOM 300 O LEU A 20 13.142 -15.578 17.207 1.00 0.00 O ATOM 301 CB LEU A 20 12.871 -13.063 15.183 1.00 0.00 C ATOM 302 CG LEU A 20 13.488 -12.036 16.133 1.00 0.00 C ATOM 303 CD1 LEU A 20 14.780 -12.572 16.731 1.00 0.00 C ATOM 304 CD2 LEU A 20 13.739 -10.722 15.408 1.00 0.00 C ATOM 0 H LEU A 20 10.495 -12.529 15.574 1.00 0.00 H new ATOM 0 HA LEU A 20 11.791 -14.920 15.149 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.679 -13.620 14.708 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.345 -12.527 14.393 1.00 0.00 H new ATOM 0 HG LEU A 20 12.784 -11.851 16.945 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.205 -11.828 17.405 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.572 -13.487 17.286 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.490 -12.786 15.932 1.00 0.00 H new ATOM 0 HD21 LEU A 20 14.178 -10.003 16.100 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.423 -10.890 14.576 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.796 -10.330 15.028 1.00 0.00 H new ATOM 316 N LEU A 21 12.159 -13.823 18.213 1.00 0.00 N ATOM 317 CA LEU A 21 12.626 -14.185 19.547 1.00 0.00 C ATOM 318 C LEU A 21 12.057 -15.533 19.976 1.00 0.00 C ATOM 319 O LEU A 21 12.793 -16.421 20.407 1.00 0.00 O ATOM 320 CB LEU A 21 12.232 -13.106 20.558 1.00 0.00 C ATOM 321 CG LEU A 21 13.213 -11.945 20.718 1.00 0.00 C ATOM 322 CD1 LEU A 21 12.649 -10.896 21.663 1.00 0.00 C ATOM 323 CD2 LEU A 21 14.558 -12.450 21.220 1.00 0.00 C ATOM 0 H LEU A 21 11.595 -12.974 18.180 1.00 0.00 H new ATOM 0 HA LEU A 21 13.713 -14.264 19.515 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.264 -12.699 20.266 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.099 -13.579 21.531 1.00 0.00 H new ATOM 0 HG LEU A 21 13.362 -11.482 19.742 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.361 -10.077 21.765 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.710 -10.513 21.263 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.470 -11.345 22.640 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.245 -11.610 21.328 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.426 -12.938 22.186 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.968 -13.164 20.506 1.00 0.00 H new ATOM 335 N VAL A 22 10.742 -15.680 19.854 1.00 0.00 N ATOM 336 CA VAL A 22 10.073 -16.922 20.226 1.00 0.00 C ATOM 337 C VAL A 22 10.496 -18.068 19.314 1.00 0.00 C ATOM 338 O VAL A 22 10.786 -19.171 19.778 1.00 0.00 O ATOM 339 CB VAL A 22 8.541 -16.773 20.169 1.00 0.00 C ATOM 340 CG1 VAL A 22 7.863 -18.081 20.549 1.00 0.00 C ATOM 341 CG2 VAL A 22 8.082 -15.642 21.076 1.00 0.00 C ATOM 0 H VAL A 22 10.118 -14.955 19.500 1.00 0.00 H new ATOM 0 HA VAL A 22 10.370 -17.148 21.250 1.00 0.00 H new ATOM 0 HB VAL A 22 8.255 -16.527 19.146 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.781 -17.957 20.503 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.168 -18.864 19.855 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.153 -18.361 21.562 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.997 -15.551 21.023 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.379 -15.856 22.103 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.541 -14.707 20.753 1.00 0.00 H new ATOM 351 N VAL A 23 10.530 -17.800 18.012 1.00 0.00 N ATOM 352 CA VAL A 23 10.919 -18.808 17.034 1.00 0.00 C ATOM 353 C VAL A 23 12.297 -19.377 17.349 1.00 0.00 C ATOM 354 O VAL A 23 12.474 -20.593 17.438 1.00 0.00 O ATOM 355 CB VAL A 23 10.928 -18.231 15.606 1.00 0.00 C ATOM 356 CG1 VAL A 23 11.149 -19.336 14.584 1.00 0.00 C ATOM 357 CG2 VAL A 23 9.632 -17.485 15.325 1.00 0.00 C ATOM 0 H VAL A 23 10.293 -16.893 17.611 1.00 0.00 H new ATOM 0 HA VAL A 23 10.178 -19.606 17.091 1.00 0.00 H new ATOM 0 HB VAL A 23 11.753 -17.524 15.524 1.00 0.00 H new ATOM 0 HG11 VAL A 23 11.152 -18.909 13.581 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.106 -19.822 14.775 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.347 -20.070 14.663 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.655 -17.084 14.312 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.789 -18.169 15.425 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.522 -16.667 16.037 1.00 0.00 H new ATOM 367 N LEU A 24 13.272 -18.491 17.518 1.00 0.00 N ATOM 368 CA LEU A 24 14.637 -18.904 17.825 1.00 0.00 C ATOM 369 C LEU A 24 14.721 -19.514 19.220 1.00 0.00 C ATOM 370 O LEU A 24 15.600 -20.329 19.501 1.00 0.00 O ATOM 371 CB LEU A 24 15.588 -17.710 17.720 1.00 0.00 C ATOM 372 CG LEU A 24 16.794 -17.892 16.797 1.00 0.00 C ATOM 373 CD1 LEU A 24 16.753 -16.882 15.661 1.00 0.00 C ATOM 374 CD2 LEU A 24 18.091 -17.762 17.582 1.00 0.00 C ATOM 0 H LEU A 24 13.143 -17.482 17.448 1.00 0.00 H new ATOM 0 HA LEU A 24 14.933 -19.661 17.099 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.019 -16.847 17.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.953 -17.473 18.719 1.00 0.00 H new ATOM 0 HG LEU A 24 16.751 -18.893 16.368 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.619 -17.026 15.014 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.840 -17.022 15.082 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.771 -15.872 16.071 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.938 -17.894 16.909 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.142 -16.774 18.040 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.123 -18.524 18.360 1.00 0.00 H new ATOM 386 N TYR A 25 13.800 -19.115 20.091 1.00 0.00 N ATOM 387 CA TYR A 25 13.770 -19.623 21.457 1.00 0.00 C ATOM 388 C TYR A 25 13.331 -21.084 21.487 1.00 0.00 C ATOM 389 O TYR A 25 13.973 -21.925 22.117 1.00 0.00 O ATOM 390 CB TYR A 25 12.827 -18.778 22.316 1.00 0.00 C ATOM 391 CG TYR A 25 12.823 -19.170 23.776 1.00 0.00 C ATOM 392 CD1 TYR A 25 11.968 -20.158 24.249 1.00 0.00 C ATOM 393 CD2 TYR A 25 13.677 -18.554 24.683 1.00 0.00 C ATOM 394 CE1 TYR A 25 11.961 -20.518 25.582 1.00 0.00 C ATOM 395 CE2 TYR A 25 13.677 -18.909 26.018 1.00 0.00 C ATOM 396 CZ TYR A 25 12.817 -19.892 26.463 1.00 0.00 C ATOM 397 OH TYR A 25 12.814 -20.249 27.792 1.00 0.00 O ATOM 0 H TYR A 25 13.065 -18.442 19.875 1.00 0.00 H new ATOM 0 HA TYR A 25 14.779 -19.558 21.864 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.113 -17.730 22.231 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.814 -18.865 21.922 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.297 -20.653 23.562 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.352 -17.785 24.338 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.288 -21.286 25.933 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.347 -18.420 26.710 1.00 0.00 H new ATOM 0 HH TYR A 25 13.477 -19.713 28.276 1.00 0.00 H new ATOM 407 N HIS A 26 12.232 -21.378 20.799 1.00 0.00 N ATOM 408 CA HIS A 26 11.706 -22.738 20.745 1.00 0.00 C ATOM 409 C HIS A 26 12.678 -23.668 20.025 1.00 0.00 C ATOM 410 O HIS A 26 12.889 -24.806 20.443 1.00 0.00 O ATOM 411 CB HIS A 26 10.349 -22.754 20.040 1.00 0.00 C ATOM 412 CG HIS A 26 9.201 -23.046 20.957 1.00 0.00 C ATOM 413 ND1 HIS A 26 8.271 -22.096 21.323 1.00 0.00 N ATOM 414 CD2 HIS A 26 8.835 -24.189 21.582 1.00 0.00 C ATOM 415 CE1 HIS A 26 7.383 -22.643 22.134 1.00 0.00 C ATOM 416 NE2 HIS A 26 7.703 -23.912 22.307 1.00 0.00 N ATOM 0 H HIS A 26 11.689 -20.694 20.272 1.00 0.00 H new ATOM 0 HA HIS A 26 11.580 -23.094 21.767 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.185 -21.788 19.563 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.369 -23.502 19.247 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.340 -25.142 21.522 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.539 -22.138 22.580 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.192 -24.579 22.886 1.00 0.00 H new ATOM 424 N TYR A 27 13.266 -23.175 18.940 1.00 0.00 N ATOM 425 CA TYR A 27 14.213 -23.963 18.160 1.00 0.00 C ATOM 426 C TYR A 27 15.444 -24.315 18.991 1.00 0.00 C ATOM 427 O TYR A 27 15.786 -25.487 19.150 1.00 0.00 O ATOM 428 CB TYR A 27 14.634 -23.197 16.905 1.00 0.00 C ATOM 429 CG TYR A 27 15.861 -23.768 16.230 1.00 0.00 C ATOM 430 CD1 TYR A 27 15.747 -24.756 15.259 1.00 0.00 C ATOM 431 CD2 TYR A 27 17.133 -23.321 16.562 1.00 0.00 C ATOM 432 CE1 TYR A 27 16.864 -25.282 14.640 1.00 0.00 C ATOM 433 CE2 TYR A 27 18.256 -23.840 15.947 1.00 0.00 C ATOM 434 CZ TYR A 27 18.116 -24.820 14.987 1.00 0.00 C ATOM 435 OH TYR A 27 19.233 -25.340 14.373 1.00 0.00 O ATOM 0 H TYR A 27 13.104 -22.234 18.581 1.00 0.00 H new ATOM 0 HA TYR A 27 13.719 -24.889 17.864 1.00 0.00 H new ATOM 0 HB2 TYR A 27 13.807 -23.196 16.195 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.827 -22.158 17.171 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.768 -25.119 14.984 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.246 -22.554 17.314 1.00 0.00 H new ATOM 0 HE1 TYR A 27 16.757 -26.051 13.889 1.00 0.00 H new ATOM 0 HE2 TYR A 27 19.238 -23.480 16.217 1.00 0.00 H new ATOM 0 HH TYR A 27 20.035 -24.906 14.731 1.00 0.00 H new ATOM 445 N VAL A 28 16.105 -23.291 19.521 1.00 0.00 N ATOM 446 CA VAL A 28 17.296 -23.490 20.337 1.00 0.00 C ATOM 447 C VAL A 28 16.974 -24.291 21.594 1.00 0.00 C ATOM 448 O VAL A 28 17.768 -25.120 22.035 1.00 0.00 O ATOM 449 CB VAL A 28 17.928 -22.146 20.746 1.00 0.00 C ATOM 450 CG1 VAL A 28 19.090 -22.371 21.701 1.00 0.00 C ATOM 451 CG2 VAL A 28 18.379 -21.373 19.516 1.00 0.00 C ATOM 0 H VAL A 28 15.835 -22.315 19.400 1.00 0.00 H new ATOM 0 HA VAL A 28 18.007 -24.047 19.727 1.00 0.00 H new ATOM 0 HB VAL A 28 17.174 -21.552 21.263 1.00 0.00 H new ATOM 0 HG11 VAL A 28 19.524 -21.410 21.979 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.732 -22.880 22.596 1.00 0.00 H new ATOM 0 HG13 VAL A 28 19.848 -22.984 21.214 1.00 0.00 H new ATOM 0 HG21 VAL A 28 18.823 -20.426 19.824 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.117 -21.959 18.968 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.520 -21.179 18.873 1.00 0.00 H new ATOM 461 N ALA A 29 15.802 -24.036 22.167 1.00 0.00 N ATOM 462 CA ALA A 29 15.372 -24.735 23.371 1.00 0.00 C ATOM 463 C ALA A 29 15.163 -26.221 23.099 1.00 0.00 C ATOM 464 O ALA A 29 15.390 -27.060 23.971 1.00 0.00 O ATOM 465 CB ALA A 29 14.096 -24.111 23.916 1.00 0.00 C ATOM 0 H ALA A 29 15.134 -23.350 21.816 1.00 0.00 H new ATOM 0 HA ALA A 29 16.159 -24.637 24.119 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.786 -24.643 24.815 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.278 -23.064 24.158 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.309 -24.178 23.165 1.00 0.00 H new ATOM 471 N VAL A 30 14.728 -26.540 21.885 1.00 0.00 N ATOM 472 CA VAL A 30 14.489 -27.925 21.497 1.00 0.00 C ATOM 473 C VAL A 30 15.750 -28.561 20.925 1.00 0.00 C ATOM 474 O VAL A 30 15.898 -29.782 20.929 1.00 0.00 O ATOM 475 CB VAL A 30 13.357 -28.030 20.458 1.00 0.00 C ATOM 476 CG1 VAL A 30 13.194 -29.467 19.988 1.00 0.00 C ATOM 477 CG2 VAL A 30 12.053 -27.498 21.035 1.00 0.00 C ATOM 0 H VAL A 30 14.534 -25.858 21.152 1.00 0.00 H new ATOM 0 HA VAL A 30 14.194 -28.460 22.400 1.00 0.00 H new ATOM 0 HB VAL A 30 13.622 -27.419 19.595 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.390 -29.521 19.254 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.124 -29.809 19.533 1.00 0.00 H new ATOM 0 HG13 VAL A 30 12.952 -30.103 20.839 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.264 -27.580 20.287 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.780 -28.080 21.915 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.179 -26.452 21.316 1.00 0.00 H new ATOM 487 N ASN A 31 16.657 -27.724 20.433 1.00 0.00 N ATOM 488 CA ASN A 31 17.908 -28.205 19.856 1.00 0.00 C ATOM 489 C ASN A 31 19.001 -28.286 20.917 1.00 0.00 C ATOM 490 O ASN A 31 19.995 -28.990 20.746 1.00 0.00 O ATOM 491 CB ASN A 31 18.355 -27.286 18.717 1.00 0.00 C ATOM 492 CG ASN A 31 18.123 -27.904 17.351 1.00 0.00 C ATOM 493 OD1 ASN A 31 17.031 -27.514 16.703 1.00 0.00 O flip ATOM 494 ND2 ASN A 31 18.917 -28.721 16.885 1.00 0.00 N flip ATOM 0 H ASN A 31 16.550 -26.710 20.422 1.00 0.00 H new ATOM 0 HA ASN A 31 17.735 -29.206 19.460 1.00 0.00 H new ATOM 0 HB2 ASN A 31 17.815 -26.342 18.782 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.414 -27.056 18.834 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.743 -28.991 17.419 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.749 -29.128 15.965 1.00 0.00 H new ATOM 501 N ASN A 32 18.808 -27.561 22.014 1.00 0.00 N ATOM 502 CA ASN A 32 19.777 -27.551 23.104 1.00 0.00 C ATOM 503 C ASN A 32 19.256 -28.339 24.302 1.00 0.00 C ATOM 504 O ASN A 32 18.162 -28.094 24.810 1.00 0.00 O ATOM 505 CB ASN A 32 20.091 -26.114 23.522 1.00 0.00 C ATOM 506 CG ASN A 32 20.857 -25.355 22.455 1.00 0.00 C ATOM 507 OD1 ASN A 32 20.957 -25.802 21.312 1.00 0.00 O ATOM 508 ND2 ASN A 32 21.401 -24.202 22.825 1.00 0.00 N ATOM 0 H ASN A 32 17.990 -26.973 22.172 1.00 0.00 H new ATOM 0 HA ASN A 32 20.691 -28.026 22.749 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.160 -25.590 23.739 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.673 -26.126 24.444 1.00 0.00 H new ATOM 0 HD21 ASN A 32 21.928 -23.647 22.151 1.00 0.00 H new ATOM 0 HD22 ASN A 32 21.292 -23.871 23.784 1.00 0.00 H new ATOM 515 N PRO A 33 20.058 -29.309 24.767 1.00 0.00 N ATOM 516 CA PRO A 33 19.700 -30.152 25.911 1.00 0.00 C ATOM 517 C PRO A 33 19.710 -29.379 27.226 1.00 0.00 C ATOM 518 O PRO A 33 19.232 -29.868 28.250 1.00 0.00 O ATOM 519 CB PRO A 33 20.790 -31.227 25.915 1.00 0.00 C ATOM 520 CG PRO A 33 21.954 -30.588 25.240 1.00 0.00 C ATOM 521 CD PRO A 33 21.377 -29.657 24.210 1.00 0.00 C ATOM 0 HA PRO A 33 18.689 -30.551 25.823 1.00 0.00 H new ATOM 0 HB2 PRO A 33 21.040 -31.533 26.931 1.00 0.00 H new ATOM 0 HB3 PRO A 33 20.466 -32.122 25.383 1.00 0.00 H new ATOM 0 HG2 PRO A 33 22.570 -30.044 25.956 1.00 0.00 H new ATOM 0 HG3 PRO A 33 22.594 -31.337 24.774 1.00 0.00 H new ATOM 0 HD2 PRO A 33 22.001 -28.774 24.072 1.00 0.00 H new ATOM 0 HD3 PRO A 33 21.288 -30.140 23.237 1.00 0.00 H new ATOM 529 N LYS A 34 20.257 -28.168 27.191 1.00 0.00 N ATOM 530 CA LYS A 34 20.329 -27.326 28.379 1.00 0.00 C ATOM 531 C LYS A 34 19.847 -25.912 28.072 1.00 0.00 C ATOM 532 O LYS A 34 20.621 -24.956 28.125 1.00 0.00 O ATOM 533 CB LYS A 34 21.762 -27.283 28.914 1.00 0.00 C ATOM 534 CG LYS A 34 22.433 -28.645 28.964 1.00 0.00 C ATOM 535 CD LYS A 34 23.594 -28.730 27.988 1.00 0.00 C ATOM 536 CE LYS A 34 24.196 -30.127 27.958 1.00 0.00 C ATOM 537 NZ LYS A 34 24.826 -30.488 29.258 1.00 0.00 N ATOM 0 H LYS A 34 20.657 -27.748 26.352 1.00 0.00 H new ATOM 0 HA LYS A 34 19.678 -27.757 29.139 1.00 0.00 H new ATOM 0 HB2 LYS A 34 22.355 -26.618 28.287 1.00 0.00 H new ATOM 0 HB3 LYS A 34 21.754 -26.854 29.916 1.00 0.00 H new ATOM 0 HG2 LYS A 34 22.791 -28.838 29.975 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.703 -29.420 28.731 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.252 -28.459 26.989 1.00 0.00 H new ATOM 0 HD3 LYS A 34 24.361 -28.008 28.269 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.419 -30.852 27.717 1.00 0.00 H new ATOM 0 HE3 LYS A 34 24.942 -30.184 27.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.326 -31.395 29.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.502 -29.747 29.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.090 -30.575 29.988 1.00 0.00 H new ATOM 551 N LYS A 35 18.563 -25.785 27.754 1.00 0.00 N ATOM 552 CA LYS A 35 17.977 -24.487 27.441 1.00 0.00 C ATOM 553 C LYS A 35 18.347 -23.453 28.500 1.00 0.00 C ATOM 554 O LYS A 35 18.814 -23.803 29.584 1.00 0.00 O ATOM 555 CB LYS A 35 16.454 -24.604 27.338 1.00 0.00 C ATOM 556 CG LYS A 35 15.991 -25.772 26.485 1.00 0.00 C ATOM 557 CD LYS A 35 15.511 -26.932 27.341 1.00 0.00 C ATOM 558 CE LYS A 35 13.993 -27.023 27.357 1.00 0.00 C ATOM 559 NZ LYS A 35 13.521 -28.435 27.326 1.00 0.00 N ATOM 0 H LYS A 35 17.908 -26.566 27.706 1.00 0.00 H new ATOM 0 HA LYS A 35 18.376 -24.158 26.482 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.037 -24.709 28.340 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.054 -23.680 26.921 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.185 -25.446 25.827 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.809 -26.104 25.846 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.928 -27.864 26.960 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.880 -26.811 28.359 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.609 -26.532 28.251 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.588 -26.486 26.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.481 -28.454 27.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.866 -28.897 26.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.886 -28.941 28.158 1.00 0.00 H new ATOM 573 N GLN A 36 18.133 -22.181 28.180 1.00 0.00 N ATOM 574 CA GLN A 36 18.444 -21.098 29.105 1.00 0.00 C ATOM 575 C GLN A 36 17.678 -21.263 30.413 1.00 0.00 C ATOM 576 O GLN A 36 16.775 -22.093 30.514 1.00 0.00 O ATOM 577 CB GLN A 36 18.111 -19.746 28.472 1.00 0.00 C ATOM 578 CG GLN A 36 16.732 -19.697 27.833 1.00 0.00 C ATOM 579 CD GLN A 36 16.790 -19.706 26.318 1.00 0.00 C ATOM 580 OE1 GLN A 36 16.553 -20.733 25.682 1.00 0.00 O ATOM 581 NE2 GLN A 36 17.105 -18.557 25.732 1.00 0.00 N ATOM 0 H GLN A 36 17.746 -21.875 27.287 1.00 0.00 H new ATOM 0 HA GLN A 36 19.511 -21.136 29.323 1.00 0.00 H new ATOM 0 HB2 GLN A 36 18.176 -18.971 29.235 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.861 -19.513 27.716 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.147 -20.550 28.175 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.212 -18.799 28.168 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.294 -17.730 26.299 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.158 -18.501 24.715 1.00 0.00 H new ATOM 590 N GLU A 37 18.045 -20.467 31.413 1.00 0.00 N ATOM 591 CA GLU A 37 17.392 -20.527 32.715 1.00 0.00 C ATOM 592 C GLU A 37 17.522 -19.196 33.451 1.00 0.00 C ATOM 593 O GLU A 37 17.658 -18.143 32.829 1.00 0.00 O ATOM 594 CB GLU A 37 17.993 -21.651 33.561 1.00 0.00 C ATOM 595 CG GLU A 37 19.410 -21.368 34.032 1.00 0.00 C ATOM 596 CD GLU A 37 20.241 -22.628 34.172 1.00 0.00 C ATOM 597 OE1 GLU A 37 20.147 -23.502 33.284 1.00 0.00 O ATOM 598 OE2 GLU A 37 20.985 -22.741 35.168 1.00 0.00 O ATOM 0 H GLU A 37 18.790 -19.774 31.346 1.00 0.00 H new ATOM 0 HA GLU A 37 16.334 -20.731 32.553 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.357 -21.820 34.430 1.00 0.00 H new ATOM 0 HB3 GLU A 37 17.990 -22.573 32.980 1.00 0.00 H new ATOM 0 HG2 GLU A 37 19.895 -20.694 33.326 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.374 -20.853 34.992 1.00 0.00 H new TER 605 GLU A 37