USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 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 9 ASN : amide:sc= -0.0501 X(o=-1.1,f=-0.94) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -1.01 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= -0.0115 USER MOD Set 2.2: A 52 THR OG1 : rot 93:sc= 0.0257 USER MOD Set 3.1: A 45 THR OG1 : rot -1:sc= -0.266! USER MOD Set 3.2: A 54 THR OG1 : rot 147:sc= 0.546 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 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 -130:sc= -1.88 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -137:sc= 1.15 (180deg=-0.896) USER MOD Single : A 33 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.5) USER MOD Single : A 34 TYR OH : rot -30:sc= -4.51! USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.0931 X(o=-0.093,f=0.1) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.364 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.445 -14.055 8.501 1.00 0.00 N ATOM 2 CA MET A 1 -2.809 -14.137 7.903 1.00 0.00 C ATOM 3 C MET A 1 -2.831 -13.436 6.542 1.00 0.00 C ATOM 4 O MET A 1 -3.190 -14.024 5.539 1.00 0.00 O ATOM 5 CB MET A 1 -3.721 -13.411 8.896 1.00 0.00 C ATOM 6 CG MET A 1 -4.437 -14.433 9.781 1.00 0.00 C ATOM 7 SD MET A 1 -5.114 -13.598 11.238 1.00 0.00 S ATOM 8 CE MET A 1 -6.644 -14.555 11.360 1.00 0.00 C ATOM 0 H1 MET A 1 -1.441 -14.534 9.424 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.760 -14.517 7.869 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.181 -13.057 8.628 1.00 0.00 H new ATOM 0 HA MET A 1 -3.127 -15.166 7.736 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.134 -12.730 9.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.451 -12.806 8.359 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.237 -14.918 9.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.743 -15.216 10.087 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.228 -14.200 12.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.223 -14.433 10.445 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.404 -15.609 11.500 1.00 0.00 H new ATOM 20 N THR A 2 -2.451 -12.185 6.504 1.00 0.00 N ATOM 21 CA THR A 2 -2.447 -11.435 5.212 1.00 0.00 C ATOM 22 C THR A 2 -1.163 -10.605 5.085 1.00 0.00 C ATOM 23 O THR A 2 -0.294 -10.914 4.293 1.00 0.00 O ATOM 24 CB THR A 2 -3.685 -10.534 5.274 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.844 -11.340 5.432 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.798 -9.727 3.980 1.00 0.00 C ATOM 0 H THR A 2 -2.142 -11.649 7.315 1.00 0.00 H new ATOM 0 HA THR A 2 -2.475 -12.096 4.345 1.00 0.00 H new ATOM 0 HB THR A 2 -3.596 -9.851 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.638 -10.767 5.474 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.679 -9.087 4.026 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.908 -9.110 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.888 -10.408 3.133 1.00 0.00 H new ATOM 34 N THR A 3 -1.037 -9.554 5.861 1.00 0.00 N ATOM 35 CA THR A 3 0.190 -8.691 5.797 1.00 0.00 C ATOM 36 C THR A 3 0.517 -8.293 4.352 1.00 0.00 C ATOM 37 O THR A 3 1.303 -8.939 3.685 1.00 0.00 O ATOM 38 CB THR A 3 1.319 -9.545 6.379 1.00 0.00 C ATOM 39 OG1 THR A 3 0.944 -10.002 7.672 1.00 0.00 O ATOM 40 CG2 THR A 3 2.599 -8.708 6.482 1.00 0.00 C ATOM 0 H THR A 3 -1.736 -9.254 6.541 1.00 0.00 H new ATOM 0 HA THR A 3 0.048 -7.762 6.349 1.00 0.00 H new ATOM 0 HB THR A 3 1.501 -10.400 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.664 -10.551 8.047 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.401 -9.319 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.885 -8.358 5.490 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.422 -7.851 7.132 1.00 0.00 H new ATOM 48 N PHE A 4 -0.075 -7.229 3.875 1.00 0.00 N ATOM 49 CA PHE A 4 0.203 -6.776 2.482 1.00 0.00 C ATOM 50 C PHE A 4 1.422 -5.853 2.475 1.00 0.00 C ATOM 51 O PHE A 4 1.618 -5.067 3.382 1.00 0.00 O ATOM 52 CB PHE A 4 -1.051 -6.016 2.050 1.00 0.00 C ATOM 53 CG PHE A 4 -1.990 -6.964 1.345 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.715 -7.376 0.037 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.132 -7.436 2.001 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.580 -8.260 -0.617 1.00 0.00 C ATOM 57 CE2 PHE A 4 -3.999 -8.319 1.348 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.723 -8.732 0.039 1.00 0.00 C ATOM 0 H PHE A 4 -0.740 -6.654 4.392 1.00 0.00 H new ATOM 0 HA PHE A 4 0.421 -7.605 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.542 -5.578 2.919 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.782 -5.193 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.833 -7.011 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.344 -7.119 3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.366 -8.578 -1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.881 -8.682 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.392 -9.414 -0.464 1.00 0.00 H new ATOM 68 N LYS A 5 2.245 -5.948 1.464 1.00 0.00 N ATOM 69 CA LYS A 5 3.459 -5.079 1.402 1.00 0.00 C ATOM 70 C LYS A 5 3.202 -3.896 0.463 1.00 0.00 C ATOM 71 O LYS A 5 2.113 -3.737 -0.057 1.00 0.00 O ATOM 72 CB LYS A 5 4.572 -5.972 0.842 1.00 0.00 C ATOM 73 CG LYS A 5 4.736 -7.220 1.715 1.00 0.00 C ATOM 74 CD LYS A 5 6.168 -7.744 1.595 1.00 0.00 C ATOM 75 CE LYS A 5 6.330 -8.487 0.266 1.00 0.00 C ATOM 76 NZ LYS A 5 7.339 -9.548 0.538 1.00 0.00 N ATOM 0 H LYS A 5 2.130 -6.589 0.679 1.00 0.00 H new ATOM 0 HA LYS A 5 3.724 -4.671 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.335 -6.263 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.510 -5.418 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.511 -6.981 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.029 -7.989 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.875 -6.916 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.393 -8.411 2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.384 -8.917 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.667 -7.815 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.504 -10.101 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.231 -9.109 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.988 -10.177 1.289 1.00 0.00 H new ATOM 90 N LEU A 6 4.195 -3.069 0.238 1.00 0.00 N ATOM 91 CA LEU A 6 4.002 -1.901 -0.673 1.00 0.00 C ATOM 92 C LEU A 6 5.355 -1.318 -1.084 1.00 0.00 C ATOM 93 O LEU A 6 6.058 -0.737 -0.281 1.00 0.00 O ATOM 94 CB LEU A 6 3.199 -0.883 0.153 1.00 0.00 C ATOM 95 CG LEU A 6 3.015 0.432 -0.632 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.593 0.513 -1.198 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.264 1.626 0.301 1.00 0.00 C ATOM 0 H LEU A 6 5.127 -3.153 0.645 1.00 0.00 H new ATOM 0 HA LEU A 6 3.487 -2.175 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.225 -1.301 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.714 -0.682 1.093 1.00 0.00 H new ATOM 0 HG LEU A 6 3.728 0.456 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.474 1.445 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.419 -0.330 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.873 0.481 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.134 2.555 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.555 1.595 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.280 1.576 0.692 1.00 0.00 H new ATOM 109 N ILE A 7 5.701 -1.437 -2.339 1.00 0.00 N ATOM 110 CA ILE A 7 6.985 -0.856 -2.820 1.00 0.00 C ATOM 111 C ILE A 7 6.707 0.570 -3.287 1.00 0.00 C ATOM 112 O ILE A 7 5.924 0.785 -4.198 1.00 0.00 O ATOM 113 CB ILE A 7 7.421 -1.741 -3.990 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.651 -3.170 -3.492 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.724 -1.198 -4.587 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.369 -4.157 -4.625 1.00 0.00 C ATOM 0 H ILE A 7 5.147 -1.913 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 7 7.761 -0.821 -2.056 1.00 0.00 H new ATOM 0 HB ILE A 7 6.642 -1.740 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.677 -3.284 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.001 -3.379 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.033 -1.829 -5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.565 -0.180 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.502 -1.198 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.533 -5.175 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.335 -4.049 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.038 -3.952 -5.461 1.00 0.00 H new ATOM 128 N ILE A 8 7.316 1.549 -2.667 1.00 0.00 N ATOM 129 CA ILE A 8 7.046 2.953 -3.083 1.00 0.00 C ATOM 130 C ILE A 8 8.049 3.353 -4.174 1.00 0.00 C ATOM 131 O ILE A 8 9.242 3.405 -3.936 1.00 0.00 O ATOM 132 CB ILE A 8 7.213 3.853 -1.840 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.161 3.535 -0.766 1.00 0.00 C ATOM 134 CG2 ILE A 8 6.994 5.307 -2.261 1.00 0.00 C ATOM 135 CD1 ILE A 8 6.415 2.170 -0.149 1.00 0.00 C ATOM 0 H ILE A 8 7.980 1.437 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 8 6.038 3.059 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 8 8.210 3.682 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.185 4.300 0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.165 3.560 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.108 5.958 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.727 5.581 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.990 5.420 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.658 1.967 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.367 1.406 -0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.402 2.157 0.312 1.00 0.00 H new ATOM 147 N ASN A 9 7.576 3.636 -5.358 1.00 0.00 N ATOM 148 CA ASN A 9 8.503 4.034 -6.457 1.00 0.00 C ATOM 149 C ASN A 9 8.640 5.558 -6.509 1.00 0.00 C ATOM 150 O ASN A 9 7.739 6.282 -6.127 1.00 0.00 O ATOM 151 CB ASN A 9 7.855 3.508 -7.737 1.00 0.00 C ATOM 152 CG ASN A 9 8.790 3.753 -8.922 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.687 2.973 -9.175 1.00 0.00 O ATOM 154 ND2 ASN A 9 8.620 4.813 -9.664 1.00 0.00 N ATOM 0 H ASN A 9 6.588 3.609 -5.612 1.00 0.00 H new ATOM 0 HA ASN A 9 9.506 3.631 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.646 2.443 -7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.900 4.006 -7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.240 4.986 -10.455 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.867 5.468 -9.453 1.00 0.00 H new ATOM 161 N GLY A 10 9.760 6.046 -6.976 1.00 0.00 N ATOM 162 CA GLY A 10 9.966 7.522 -7.054 1.00 0.00 C ATOM 163 C GLY A 10 11.055 7.937 -6.064 1.00 0.00 C ATOM 164 O GLY A 10 11.899 7.145 -5.692 1.00 0.00 O ATOM 0 H GLY A 10 10.543 5.483 -7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.252 7.807 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.036 8.042 -6.827 1.00 0.00 H new ATOM 168 N LYS A 11 11.036 9.173 -5.633 1.00 0.00 N ATOM 169 CA LYS A 11 12.067 9.648 -4.661 1.00 0.00 C ATOM 170 C LYS A 11 11.418 9.942 -3.305 1.00 0.00 C ATOM 171 O LYS A 11 11.850 10.814 -2.576 1.00 0.00 O ATOM 172 CB LYS A 11 12.649 10.926 -5.276 1.00 0.00 C ATOM 173 CG LYS A 11 11.537 11.957 -5.510 1.00 0.00 C ATOM 174 CD LYS A 11 12.063 13.360 -5.191 1.00 0.00 C ATOM 175 CE LYS A 11 11.442 14.376 -6.155 1.00 0.00 C ATOM 176 NZ LYS A 11 10.356 15.032 -5.375 1.00 0.00 N ATOM 0 H LYS A 11 10.350 9.874 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 11 12.841 8.901 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.408 11.343 -4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.142 10.692 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.197 11.912 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.677 11.728 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.820 13.625 -4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.149 13.380 -5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.181 15.103 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.048 13.886 -7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.883 15.742 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.664 14.316 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.762 15.496 -4.537 1.00 0.00 H new ATOM 190 N THR A 12 10.382 9.216 -2.969 1.00 0.00 N ATOM 191 CA THR A 12 9.693 9.444 -1.662 1.00 0.00 C ATOM 192 C THR A 12 10.276 8.501 -0.594 1.00 0.00 C ATOM 193 O THR A 12 11.451 8.186 -0.622 1.00 0.00 O ATOM 194 CB THR A 12 8.216 9.145 -1.948 1.00 0.00 C ATOM 195 OG1 THR A 12 8.086 7.817 -2.434 1.00 0.00 O ATOM 196 CG2 THR A 12 7.691 10.130 -2.995 1.00 0.00 C ATOM 0 H THR A 12 9.983 8.474 -3.544 1.00 0.00 H new ATOM 0 HA THR A 12 9.823 10.455 -1.276 1.00 0.00 H new ATOM 0 HB THR A 12 7.638 9.251 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.548 7.820 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.641 9.919 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.790 11.148 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.268 10.026 -3.914 1.00 0.00 H new ATOM 204 N LEU A 13 9.479 8.062 0.356 1.00 0.00 N ATOM 205 CA LEU A 13 10.005 7.158 1.431 1.00 0.00 C ATOM 206 C LEU A 13 10.705 5.925 0.832 1.00 0.00 C ATOM 207 O LEU A 13 11.700 5.462 1.353 1.00 0.00 O ATOM 208 CB LEU A 13 8.776 6.761 2.266 1.00 0.00 C ATOM 209 CG LEU A 13 7.800 5.927 1.432 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.186 4.440 1.502 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.383 6.120 1.981 1.00 0.00 C ATOM 0 H LEU A 13 8.488 8.291 0.432 1.00 0.00 H new ATOM 0 HA LEU A 13 10.759 7.653 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.093 6.192 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.275 7.657 2.633 1.00 0.00 H new ATOM 0 HG LEU A 13 7.840 6.252 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.486 3.854 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.195 4.307 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.151 4.103 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.681 5.529 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.348 5.795 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.110 7.174 1.921 1.00 0.00 H new ATOM 223 N LYS A 14 10.201 5.401 -0.262 1.00 0.00 N ATOM 224 CA LYS A 14 10.836 4.202 -0.911 1.00 0.00 C ATOM 225 C LYS A 14 11.070 3.071 0.101 1.00 0.00 C ATOM 226 O LYS A 14 12.040 3.081 0.838 1.00 0.00 O ATOM 227 CB LYS A 14 12.174 4.708 -1.457 1.00 0.00 C ATOM 228 CG LYS A 14 11.937 5.485 -2.752 1.00 0.00 C ATOM 229 CD LYS A 14 13.247 5.578 -3.539 1.00 0.00 C ATOM 230 CE LYS A 14 13.305 4.447 -4.569 1.00 0.00 C ATOM 231 NZ LYS A 14 14.721 3.984 -4.550 1.00 0.00 N ATOM 0 H LYS A 14 9.371 5.754 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 14 10.195 3.787 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.660 5.348 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.844 3.868 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.174 4.989 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.564 6.484 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.315 6.544 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.097 5.510 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.622 3.639 -4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.018 4.800 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.842 3.208 -5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.348 4.773 -4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.964 3.648 -3.596 1.00 0.00 H new ATOM 245 N GLY A 15 10.200 2.090 0.134 1.00 0.00 N ATOM 246 CA GLY A 15 10.386 0.959 1.093 1.00 0.00 C ATOM 247 C GLY A 15 9.239 -0.045 0.960 1.00 0.00 C ATOM 248 O GLY A 15 8.464 0.000 0.022 1.00 0.00 O ATOM 0 H GLY A 15 9.373 2.025 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.337 0.462 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.427 1.341 2.113 1.00 0.00 H new ATOM 252 N GLU A 16 9.133 -0.950 1.900 1.00 0.00 N ATOM 253 CA GLU A 16 8.045 -1.972 1.858 1.00 0.00 C ATOM 254 C GLU A 16 7.105 -1.787 3.051 1.00 0.00 C ATOM 255 O GLU A 16 5.942 -1.468 2.894 1.00 0.00 O ATOM 256 CB GLU A 16 8.766 -3.318 1.950 1.00 0.00 C ATOM 257 CG GLU A 16 9.132 -3.800 0.545 1.00 0.00 C ATOM 258 CD GLU A 16 10.350 -3.025 0.040 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.310 -2.917 0.786 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.303 -2.553 -1.084 1.00 0.00 O ATOM 0 H GLU A 16 9.760 -1.024 2.701 1.00 0.00 H new ATOM 0 HA GLU A 16 7.437 -1.895 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.666 -3.220 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.127 -4.051 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.348 -4.868 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.290 -3.655 -0.131 1.00 0.00 H new ATOM 267 N ILE A 17 7.604 -1.989 4.250 1.00 0.00 N ATOM 268 CA ILE A 17 6.752 -1.832 5.475 1.00 0.00 C ATOM 269 C ILE A 17 5.468 -2.663 5.343 1.00 0.00 C ATOM 270 O ILE A 17 4.397 -2.139 5.108 1.00 0.00 O ATOM 271 CB ILE A 17 6.433 -0.333 5.559 1.00 0.00 C ATOM 272 CG1 ILE A 17 7.742 0.456 5.688 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.555 -0.057 6.783 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.453 1.959 5.639 1.00 0.00 C ATOM 0 H ILE A 17 8.571 -2.258 4.433 1.00 0.00 H new ATOM 0 HA ILE A 17 7.258 -2.183 6.375 1.00 0.00 H new ATOM 0 HB ILE A 17 5.902 -0.026 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.238 0.203 6.625 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.423 0.182 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.332 1.008 6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.625 -0.619 6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.083 -0.364 7.686 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.388 2.512 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.976 2.207 4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.789 2.229 6.460 1.00 0.00 H new ATOM 286 N THR A 18 5.581 -3.959 5.487 1.00 0.00 N ATOM 287 CA THR A 18 4.381 -4.847 5.365 1.00 0.00 C ATOM 288 C THR A 18 3.324 -4.458 6.405 1.00 0.00 C ATOM 289 O THR A 18 3.646 -3.979 7.476 1.00 0.00 O ATOM 290 CB THR A 18 4.894 -6.268 5.639 1.00 0.00 C ATOM 291 OG1 THR A 18 5.357 -6.349 6.979 1.00 0.00 O ATOM 292 CG2 THR A 18 6.039 -6.608 4.680 1.00 0.00 C ATOM 0 H THR A 18 6.456 -4.444 5.685 1.00 0.00 H new ATOM 0 HA THR A 18 3.915 -4.764 4.383 1.00 0.00 H new ATOM 0 HB THR A 18 4.082 -6.978 5.486 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.684 -7.255 7.158 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.396 -7.618 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.682 -6.549 3.652 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.855 -5.900 4.822 1.00 0.00 H new ATOM 300 N ILE A 19 2.067 -4.667 6.098 1.00 0.00 N ATOM 301 CA ILE A 19 0.987 -4.314 7.079 1.00 0.00 C ATOM 302 C ILE A 19 -0.153 -5.338 7.029 1.00 0.00 C ATOM 303 O ILE A 19 -0.616 -5.717 5.970 1.00 0.00 O ATOM 304 CB ILE A 19 0.485 -2.922 6.671 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.086 -2.959 5.247 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.645 -1.927 6.726 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.598 -3.195 5.305 1.00 0.00 C ATOM 0 H ILE A 19 1.741 -5.064 5.217 1.00 0.00 H new ATOM 0 HA ILE A 19 1.364 -4.318 8.102 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.301 -2.613 7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.126 -2.020 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.394 -3.751 4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.290 -0.938 6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.043 -1.887 7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.430 -2.246 6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.001 -3.221 4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.799 -4.145 5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.071 -2.387 5.863 1.00 0.00 H new ATOM 319 N GLU A 20 -0.610 -5.778 8.175 1.00 0.00 N ATOM 320 CA GLU A 20 -1.726 -6.773 8.216 1.00 0.00 C ATOM 321 C GLU A 20 -3.049 -6.100 7.840 1.00 0.00 C ATOM 322 O GLU A 20 -3.331 -4.992 8.256 1.00 0.00 O ATOM 323 CB GLU A 20 -1.763 -7.279 9.664 1.00 0.00 C ATOM 324 CG GLU A 20 -2.017 -6.110 10.629 1.00 0.00 C ATOM 325 CD GLU A 20 -1.071 -6.213 11.828 1.00 0.00 C ATOM 326 OE1 GLU A 20 0.114 -5.991 11.645 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.549 -6.513 12.910 1.00 0.00 O ATOM 0 H GLU A 20 -0.257 -5.490 9.087 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.576 -7.589 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.547 -8.028 9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.819 -7.765 9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.864 -5.162 10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.053 -6.125 10.969 1.00 0.00 H new ATOM 334 N ALA A 21 -3.857 -6.763 7.054 1.00 0.00 N ATOM 335 CA ALA A 21 -5.163 -6.169 6.643 1.00 0.00 C ATOM 336 C ALA A 21 -6.151 -7.274 6.263 1.00 0.00 C ATOM 337 O ALA A 21 -5.762 -8.359 5.875 1.00 0.00 O ATOM 338 CB ALA A 21 -4.838 -5.301 5.428 1.00 0.00 C ATOM 0 H ALA A 21 -3.668 -7.692 6.678 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.625 -5.593 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.750 -4.827 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.118 -4.533 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.413 -5.923 4.640 1.00 0.00 H new ATOM 344 N VAL A 22 -7.427 -7.004 6.373 1.00 0.00 N ATOM 345 CA VAL A 22 -8.459 -8.029 6.021 1.00 0.00 C ATOM 346 C VAL A 22 -8.236 -8.548 4.592 1.00 0.00 C ATOM 347 O VAL A 22 -8.394 -9.721 4.314 1.00 0.00 O ATOM 348 CB VAL A 22 -9.805 -7.297 6.135 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.840 -6.112 5.163 1.00 0.00 C ATOM 350 CG2 VAL A 22 -10.945 -8.265 5.802 1.00 0.00 C ATOM 0 H VAL A 22 -7.802 -6.111 6.694 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.415 -8.899 6.676 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.925 -6.928 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.797 -5.598 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.033 -5.420 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.714 -6.474 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.899 -7.745 5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.820 -8.638 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.927 -9.102 6.500 1.00 0.00 H new ATOM 360 N ASP A 23 -7.864 -7.674 3.693 1.00 0.00 N ATOM 361 CA ASP A 23 -7.621 -8.089 2.282 1.00 0.00 C ATOM 362 C ASP A 23 -6.744 -7.046 1.589 1.00 0.00 C ATOM 363 O ASP A 23 -6.357 -6.060 2.190 1.00 0.00 O ATOM 364 CB ASP A 23 -9.006 -8.145 1.635 1.00 0.00 C ATOM 365 CG ASP A 23 -9.497 -9.594 1.593 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.043 -10.327 0.729 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.316 -9.947 2.424 1.00 0.00 O ATOM 0 H ASP A 23 -7.717 -6.682 3.879 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.108 -9.048 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.707 -7.530 2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.963 -7.736 0.626 1.00 0.00 H new ATOM 372 N ALA A 24 -6.426 -7.250 0.335 1.00 0.00 N ATOM 373 CA ALA A 24 -5.570 -6.257 -0.381 1.00 0.00 C ATOM 374 C ALA A 24 -6.315 -4.929 -0.507 1.00 0.00 C ATOM 375 O ALA A 24 -5.723 -3.867 -0.448 1.00 0.00 O ATOM 376 CB ALA A 24 -5.304 -6.854 -1.761 1.00 0.00 C ATOM 0 H ALA A 24 -6.719 -8.054 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.639 -6.061 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.679 -6.172 -2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.792 -7.810 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.250 -7.006 -2.280 1.00 0.00 H new ATOM 382 N ALA A 25 -7.616 -4.981 -0.671 1.00 0.00 N ATOM 383 CA ALA A 25 -8.418 -3.724 -0.794 1.00 0.00 C ATOM 384 C ALA A 25 -8.167 -2.827 0.422 1.00 0.00 C ATOM 385 O ALA A 25 -7.986 -1.630 0.296 1.00 0.00 O ATOM 386 CB ALA A 25 -9.878 -4.179 -0.834 1.00 0.00 C ATOM 0 H ALA A 25 -8.158 -5.844 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.153 -3.148 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.528 -3.309 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.031 -4.836 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.117 -4.717 0.083 1.00 0.00 H new ATOM 392 N GLU A 26 -8.137 -3.410 1.593 1.00 0.00 N ATOM 393 CA GLU A 26 -7.874 -2.610 2.825 1.00 0.00 C ATOM 394 C GLU A 26 -6.412 -2.170 2.833 1.00 0.00 C ATOM 395 O GLU A 26 -6.100 -1.027 3.109 1.00 0.00 O ATOM 396 CB GLU A 26 -8.161 -3.556 3.992 1.00 0.00 C ATOM 397 CG GLU A 26 -8.501 -2.741 5.241 1.00 0.00 C ATOM 398 CD GLU A 26 -10.010 -2.501 5.301 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.566 -2.104 4.290 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.584 -2.720 6.354 1.00 0.00 O ATOM 0 H GLU A 26 -8.284 -4.407 1.748 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.489 -1.712 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.989 -4.219 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.294 -4.188 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.171 -3.271 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.971 -1.788 5.221 1.00 0.00 H new ATOM 407 N ALA A 27 -5.511 -3.070 2.513 1.00 0.00 N ATOM 408 CA ALA A 27 -4.057 -2.707 2.480 1.00 0.00 C ATOM 409 C ALA A 27 -3.844 -1.508 1.555 1.00 0.00 C ATOM 410 O ALA A 27 -3.139 -0.574 1.888 1.00 0.00 O ATOM 411 CB ALA A 27 -3.334 -3.936 1.921 1.00 0.00 C ATOM 0 H ALA A 27 -5.720 -4.039 2.273 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.683 -2.436 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.264 -3.737 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.514 -4.791 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.710 -4.156 0.922 1.00 0.00 H new ATOM 417 N GLU A 28 -4.472 -1.520 0.401 1.00 0.00 N ATOM 418 CA GLU A 28 -4.327 -0.372 -0.545 1.00 0.00 C ATOM 419 C GLU A 28 -4.814 0.908 0.136 1.00 0.00 C ATOM 420 O GLU A 28 -4.220 1.954 -0.011 1.00 0.00 O ATOM 421 CB GLU A 28 -5.204 -0.714 -1.751 1.00 0.00 C ATOM 422 CG GLU A 28 -4.732 0.088 -2.970 1.00 0.00 C ATOM 423 CD GLU A 28 -5.867 0.179 -3.993 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.191 -0.840 -4.581 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.392 1.265 -4.171 1.00 0.00 O ATOM 0 H GLU A 28 -5.077 -2.275 0.077 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.293 -0.210 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.150 -1.782 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.247 -0.484 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.424 1.088 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.862 -0.391 -3.419 1.00 0.00 H new ATOM 432 N LYS A 29 -5.878 0.825 0.898 1.00 0.00 N ATOM 433 CA LYS A 29 -6.384 2.038 1.609 1.00 0.00 C ATOM 434 C LYS A 29 -5.381 2.441 2.692 1.00 0.00 C ATOM 435 O LYS A 29 -4.960 3.583 2.774 1.00 0.00 O ATOM 436 CB LYS A 29 -7.716 1.622 2.234 1.00 0.00 C ATOM 437 CG LYS A 29 -8.806 1.605 1.157 1.00 0.00 C ATOM 438 CD LYS A 29 -10.114 2.149 1.739 1.00 0.00 C ATOM 439 CE LYS A 29 -9.967 3.648 2.008 1.00 0.00 C ATOM 440 NZ LYS A 29 -11.286 4.235 1.641 1.00 0.00 N ATOM 0 H LYS A 29 -6.415 -0.027 1.057 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.512 2.891 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.624 0.635 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.988 2.315 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.497 2.209 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.954 0.589 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.935 1.972 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.359 1.625 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.726 3.840 3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.163 4.079 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.264 5.263 1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.485 4.042 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.031 3.810 2.230 1.00 0.00 H new ATOM 454 N ILE A 30 -4.974 1.501 3.512 1.00 0.00 N ATOM 455 CA ILE A 30 -3.974 1.809 4.584 1.00 0.00 C ATOM 456 C ILE A 30 -2.693 2.341 3.938 1.00 0.00 C ATOM 457 O ILE A 30 -2.052 3.240 4.447 1.00 0.00 O ATOM 458 CB ILE A 30 -3.708 0.472 5.289 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.006 -0.054 5.906 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.671 0.669 6.397 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.946 -1.581 5.992 1.00 0.00 C ATOM 0 H ILE A 30 -5.292 0.532 3.485 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.329 2.563 5.286 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.332 -0.245 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.148 0.372 6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.860 0.254 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.485 -0.283 6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.742 1.039 5.964 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.046 1.391 7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.870 -1.957 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.824 -1.997 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.101 -1.877 6.614 1.00 0.00 H new ATOM 473 N PHE A 31 -2.335 1.792 2.807 1.00 0.00 N ATOM 474 CA PHE A 31 -1.112 2.257 2.095 1.00 0.00 C ATOM 475 C PHE A 31 -1.404 3.593 1.406 1.00 0.00 C ATOM 476 O PHE A 31 -0.573 4.480 1.365 1.00 0.00 O ATOM 477 CB PHE A 31 -0.818 1.169 1.057 1.00 0.00 C ATOM 478 CG PHE A 31 0.037 0.088 1.673 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.231 0.423 2.324 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.360 -1.251 1.585 1.00 0.00 C ATOM 481 CE1 PHE A 31 2.025 -0.581 2.890 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.435 -2.256 2.149 1.00 0.00 C ATOM 483 CZ PHE A 31 1.629 -1.920 2.801 1.00 0.00 C ATOM 0 H PHE A 31 -2.842 1.037 2.345 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.266 2.412 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.752 0.742 0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.307 1.603 0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.539 1.456 2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.280 -1.509 1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.944 -0.322 3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.128 -3.289 2.082 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.244 -2.695 3.235 1.00 0.00 H new ATOM 493 N LYS A 32 -2.588 3.732 0.865 1.00 0.00 N ATOM 494 CA LYS A 32 -2.967 4.999 0.172 1.00 0.00 C ATOM 495 C LYS A 32 -3.179 6.144 1.171 1.00 0.00 C ATOM 496 O LYS A 32 -3.359 7.282 0.777 1.00 0.00 O ATOM 497 CB LYS A 32 -4.274 4.688 -0.560 1.00 0.00 C ATOM 498 CG LYS A 32 -3.978 3.931 -1.860 1.00 0.00 C ATOM 499 CD LYS A 32 -4.089 4.887 -3.052 1.00 0.00 C ATOM 500 CE LYS A 32 -4.275 4.079 -4.338 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.730 3.765 -4.386 1.00 0.00 N ATOM 0 H LYS A 32 -3.314 3.015 0.874 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.179 5.325 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.925 4.091 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.806 5.613 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.978 3.498 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.679 3.104 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.931 5.565 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.192 5.503 -3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.965 4.651 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.675 3.169 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.862 2.775 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.148 3.909 -3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.198 4.391 -5.072 1.00 0.00 H new ATOM 515 N GLN A 33 -3.113 5.873 2.454 1.00 0.00 N ATOM 516 CA GLN A 33 -3.261 6.970 3.462 1.00 0.00 C ATOM 517 C GLN A 33 -1.870 7.193 4.022 1.00 0.00 C ATOM 518 O GLN A 33 -1.365 8.294 4.114 1.00 0.00 O ATOM 519 CB GLN A 33 -4.213 6.429 4.527 1.00 0.00 C ATOM 520 CG GLN A 33 -4.779 7.592 5.347 1.00 0.00 C ATOM 521 CD GLN A 33 -3.686 8.159 6.255 1.00 0.00 C ATOM 522 OE1 GLN A 33 -3.039 9.128 5.913 1.00 0.00 O ATOM 523 NE2 GLN A 33 -3.453 7.590 7.406 1.00 0.00 N ATOM 0 H GLN A 33 -2.964 4.943 2.845 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.653 7.908 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.024 5.874 4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.687 5.732 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.154 8.370 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.623 7.251 5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.997 6.776 7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.727 7.959 8.020 1.00 0.00 H new ATOM 532 N TYR A 34 -1.234 6.098 4.319 1.00 0.00 N ATOM 533 CA TYR A 34 0.171 6.094 4.805 1.00 0.00 C ATOM 534 C TYR A 34 1.042 6.931 3.838 1.00 0.00 C ATOM 535 O TYR A 34 1.935 7.648 4.244 1.00 0.00 O ATOM 536 CB TYR A 34 0.502 4.585 4.744 1.00 0.00 C ATOM 537 CG TYR A 34 1.983 4.328 4.536 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.518 4.345 3.244 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.811 4.075 5.637 1.00 0.00 C ATOM 540 CE1 TYR A 34 3.884 4.108 3.050 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.177 3.839 5.442 1.00 0.00 C ATOM 542 CZ TYR A 34 4.713 3.855 4.149 1.00 0.00 C ATOM 543 OH TYR A 34 6.059 3.623 3.956 1.00 0.00 O ATOM 0 H TYR A 34 -1.648 5.169 4.241 1.00 0.00 H new ATOM 0 HA TYR A 34 0.338 6.525 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.179 4.107 5.669 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.062 4.124 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.878 4.541 2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.397 4.062 6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.298 4.120 2.053 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.818 3.645 6.289 1.00 0.00 H new ATOM 0 HH TYR A 34 6.197 3.204 3.081 1.00 0.00 H new ATOM 553 N ALA A 35 0.762 6.831 2.561 1.00 0.00 N ATOM 554 CA ALA A 35 1.539 7.606 1.544 1.00 0.00 C ATOM 555 C ALA A 35 1.273 9.106 1.704 1.00 0.00 C ATOM 556 O ALA A 35 2.185 9.910 1.722 1.00 0.00 O ATOM 557 CB ALA A 35 1.016 7.125 0.186 1.00 0.00 C ATOM 0 H ALA A 35 0.023 6.241 2.177 1.00 0.00 H new ATOM 0 HA ALA A 35 2.613 7.453 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.540 7.650 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.188 6.053 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.052 7.329 0.114 1.00 0.00 H new ATOM 563 N ASN A 36 0.024 9.485 1.810 1.00 0.00 N ATOM 564 CA ASN A 36 -0.323 10.937 1.958 1.00 0.00 C ATOM 565 C ASN A 36 0.386 11.548 3.171 1.00 0.00 C ATOM 566 O ASN A 36 1.027 12.577 3.070 1.00 0.00 O ATOM 567 CB ASN A 36 -1.837 10.970 2.159 1.00 0.00 C ATOM 568 CG ASN A 36 -2.536 11.050 0.800 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.136 10.282 -0.176 1.00 0.00 O flip ATOM 570 ND2 ASN A 36 -3.460 11.820 0.625 1.00 0.00 N flip ATOM 0 H ASN A 36 -0.775 8.851 1.801 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.010 11.514 1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.162 10.078 2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.114 11.828 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.774 12.421 1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.921 11.865 -0.284 1.00 0.00 H new ATOM 577 N ASP A 37 0.268 10.924 4.316 1.00 0.00 N ATOM 578 CA ASP A 37 0.929 11.469 5.547 1.00 0.00 C ATOM 579 C ASP A 37 2.439 11.624 5.339 1.00 0.00 C ATOM 580 O ASP A 37 3.094 12.377 6.035 1.00 0.00 O ATOM 581 CB ASP A 37 0.643 10.445 6.647 1.00 0.00 C ATOM 582 CG ASP A 37 0.564 11.158 7.998 1.00 0.00 C ATOM 583 OD1 ASP A 37 1.609 11.490 8.531 1.00 0.00 O ATOM 584 OD2 ASP A 37 -0.540 11.359 8.476 1.00 0.00 O ATOM 0 H ASP A 37 -0.257 10.060 4.454 1.00 0.00 H new ATOM 0 HA ASP A 37 0.549 12.459 5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.294 9.927 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.428 9.689 6.668 1.00 0.00 H new ATOM 589 N ASN A 38 2.989 10.918 4.392 1.00 0.00 N ATOM 590 CA ASN A 38 4.448 11.008 4.128 1.00 0.00 C ATOM 591 C ASN A 38 4.722 11.893 2.906 1.00 0.00 C ATOM 592 O ASN A 38 5.785 12.467 2.774 1.00 0.00 O ATOM 593 CB ASN A 38 4.891 9.571 3.861 1.00 0.00 C ATOM 594 CG ASN A 38 5.306 8.911 5.177 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.760 7.895 5.559 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.255 9.450 5.893 1.00 0.00 N ATOM 0 H ASN A 38 2.482 10.275 3.783 1.00 0.00 H new ATOM 0 HA ASN A 38 4.988 11.454 4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.079 9.009 3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.724 9.561 3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.538 9.018 6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.714 10.303 5.573 1.00 0.00 H new ATOM 603 N GLY A 39 3.771 11.999 2.011 1.00 0.00 N ATOM 604 CA GLY A 39 3.971 12.836 0.792 1.00 0.00 C ATOM 605 C GLY A 39 4.163 11.926 -0.424 1.00 0.00 C ATOM 606 O GLY A 39 4.824 12.284 -1.380 1.00 0.00 O ATOM 0 H GLY A 39 2.863 11.540 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.111 13.488 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.841 13.480 0.919 1.00 0.00 H new ATOM 610 N ILE A 40 3.586 10.752 -0.389 1.00 0.00 N ATOM 611 CA ILE A 40 3.720 9.803 -1.531 1.00 0.00 C ATOM 612 C ILE A 40 2.488 9.945 -2.431 1.00 0.00 C ATOM 613 O ILE A 40 1.401 9.516 -2.090 1.00 0.00 O ATOM 614 CB ILE A 40 3.826 8.425 -0.842 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.285 8.164 -0.481 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.326 7.277 -1.723 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.695 9.140 0.612 1.00 0.00 C ATOM 0 H ILE A 40 3.023 10.409 0.390 1.00 0.00 H new ATOM 0 HA ILE A 40 4.578 9.973 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 40 3.192 8.457 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.412 7.137 -0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.920 8.289 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.426 6.335 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.278 7.442 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.917 7.236 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.737 8.967 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.579 10.162 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.063 8.992 1.488 1.00 0.00 H new ATOM 629 N ASP A 41 2.657 10.566 -3.565 1.00 0.00 N ATOM 630 CA ASP A 41 1.496 10.766 -4.491 1.00 0.00 C ATOM 631 C ASP A 41 1.919 10.638 -5.960 1.00 0.00 C ATOM 632 O ASP A 41 2.585 11.500 -6.503 1.00 0.00 O ATOM 633 CB ASP A 41 1.005 12.184 -4.199 1.00 0.00 C ATOM 634 CG ASP A 41 -0.490 12.280 -4.508 1.00 0.00 C ATOM 635 OD1 ASP A 41 -0.887 11.822 -5.567 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.213 12.811 -3.681 1.00 0.00 O ATOM 0 H ASP A 41 3.545 10.945 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 41 0.723 10.013 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.188 12.436 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.559 12.903 -4.802 1.00 0.00 H new ATOM 641 N GLY A 42 1.514 9.573 -6.606 1.00 0.00 N ATOM 642 CA GLY A 42 1.860 9.374 -8.047 1.00 0.00 C ATOM 643 C GLY A 42 0.968 8.269 -8.626 1.00 0.00 C ATOM 644 O GLY A 42 -0.222 8.455 -8.795 1.00 0.00 O ATOM 0 H GLY A 42 0.954 8.827 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.717 10.302 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.911 9.102 -8.148 1.00 0.00 H new ATOM 648 N GLU A 43 1.531 7.121 -8.927 1.00 0.00 N ATOM 649 CA GLU A 43 0.701 6.005 -9.493 1.00 0.00 C ATOM 650 C GLU A 43 0.416 4.948 -8.417 1.00 0.00 C ATOM 651 O GLU A 43 0.874 5.058 -7.304 1.00 0.00 O ATOM 652 CB GLU A 43 1.548 5.408 -10.619 1.00 0.00 C ATOM 653 CG GLU A 43 0.645 5.034 -11.796 1.00 0.00 C ATOM 654 CD GLU A 43 1.233 3.826 -12.527 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.047 2.720 -12.046 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.858 4.026 -13.555 1.00 0.00 O ATOM 0 H GLU A 43 2.521 6.908 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.266 6.357 -9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.303 6.126 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.079 4.526 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.359 4.803 -11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.554 5.877 -12.480 1.00 0.00 H new ATOM 663 N TRP A 44 -0.341 3.927 -8.751 1.00 0.00 N ATOM 664 CA TRP A 44 -0.674 2.847 -7.760 1.00 0.00 C ATOM 665 C TRP A 44 -1.017 1.557 -8.501 1.00 0.00 C ATOM 666 O TRP A 44 -1.821 1.552 -9.414 1.00 0.00 O ATOM 667 CB TRP A 44 -1.913 3.345 -7.008 1.00 0.00 C ATOM 668 CG TRP A 44 -1.505 4.173 -5.841 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.360 5.518 -5.838 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.205 3.723 -4.499 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.968 5.918 -4.574 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.858 4.844 -3.712 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.193 2.455 -3.900 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.511 4.710 -2.369 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.845 2.315 -2.548 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.503 3.441 -1.784 1.00 0.00 C ATOM 0 H TRP A 44 -0.747 3.794 -9.677 1.00 0.00 H new ATOM 0 HA TRP A 44 0.160 2.643 -7.088 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.543 3.931 -7.677 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.509 2.497 -6.671 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.523 6.171 -6.683 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.783 6.886 -4.311 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.453 1.583 -4.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.250 5.580 -1.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.840 1.335 -2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.234 3.327 -0.744 1.00 0.00 H new ATOM 687 N THR A 45 -0.421 0.461 -8.111 1.00 0.00 N ATOM 688 CA THR A 45 -0.719 -0.841 -8.788 1.00 0.00 C ATOM 689 C THR A 45 -0.659 -1.963 -7.763 1.00 0.00 C ATOM 690 O THR A 45 0.253 -2.027 -6.964 1.00 0.00 O ATOM 691 CB THR A 45 0.371 -1.050 -9.856 1.00 0.00 C ATOM 692 OG1 THR A 45 1.576 -1.470 -9.232 1.00 0.00 O ATOM 693 CG2 THR A 45 0.624 0.246 -10.625 1.00 0.00 C ATOM 0 H THR A 45 0.260 0.409 -7.353 1.00 0.00 H new ATOM 0 HA THR A 45 -1.710 -0.837 -9.241 1.00 0.00 H new ATOM 0 HB THR A 45 0.031 -1.814 -10.555 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.444 -1.515 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.397 0.079 -11.375 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.296 0.563 -11.116 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.952 1.022 -9.933 1.00 0.00 H new ATOM 701 N TYR A 46 -1.616 -2.846 -7.784 1.00 0.00 N ATOM 702 CA TYR A 46 -1.609 -3.973 -6.808 1.00 0.00 C ATOM 703 C TYR A 46 -1.044 -5.236 -7.473 1.00 0.00 C ATOM 704 O TYR A 46 -1.215 -5.459 -8.657 1.00 0.00 O ATOM 705 CB TYR A 46 -3.077 -4.165 -6.391 1.00 0.00 C ATOM 706 CG TYR A 46 -3.218 -5.452 -5.601 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.419 -5.668 -4.474 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.125 -6.435 -6.016 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.525 -6.865 -3.761 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.233 -7.632 -5.300 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.433 -7.848 -4.172 1.00 0.00 C ATOM 712 OH TYR A 46 -3.538 -9.030 -3.469 1.00 0.00 O ATOM 0 H TYR A 46 -2.403 -2.838 -8.433 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.981 -3.769 -5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.408 -3.319 -5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.715 -4.197 -7.274 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.720 -4.909 -4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.740 -6.269 -6.888 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.906 -7.032 -2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.934 -8.390 -5.618 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.215 -9.601 -3.888 1.00 0.00 H new ATOM 722 N ASP A 47 -0.390 -6.064 -6.704 1.00 0.00 N ATOM 723 CA ASP A 47 0.175 -7.325 -7.257 1.00 0.00 C ATOM 724 C ASP A 47 -0.398 -8.516 -6.489 1.00 0.00 C ATOM 725 O ASP A 47 0.080 -8.874 -5.430 1.00 0.00 O ATOM 726 CB ASP A 47 1.685 -7.217 -7.046 1.00 0.00 C ATOM 727 CG ASP A 47 2.411 -7.953 -8.174 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.284 -9.165 -8.241 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.079 -7.293 -8.951 1.00 0.00 O ATOM 0 H ASP A 47 -0.222 -5.918 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.068 -7.469 -8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.986 -6.170 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.960 -7.645 -6.082 1.00 0.00 H new ATOM 734 N ASP A 48 -1.427 -9.128 -7.022 1.00 0.00 N ATOM 735 CA ASP A 48 -2.054 -10.301 -6.334 1.00 0.00 C ATOM 736 C ASP A 48 -1.121 -11.524 -6.347 1.00 0.00 C ATOM 737 O ASP A 48 -1.405 -12.530 -5.725 1.00 0.00 O ATOM 738 CB ASP A 48 -3.329 -10.593 -7.127 1.00 0.00 C ATOM 739 CG ASP A 48 -4.301 -11.396 -6.261 1.00 0.00 C ATOM 740 OD1 ASP A 48 -3.886 -12.406 -5.717 1.00 0.00 O ATOM 741 OD2 ASP A 48 -5.446 -10.987 -6.156 1.00 0.00 O ATOM 0 H ASP A 48 -1.861 -8.865 -7.907 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.258 -10.086 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.794 -9.659 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.087 -11.151 -8.032 1.00 0.00 H new ATOM 746 N ALA A 49 -0.011 -11.445 -7.040 1.00 0.00 N ATOM 747 CA ALA A 49 0.937 -12.596 -7.085 1.00 0.00 C ATOM 748 C ALA A 49 1.912 -12.503 -5.913 1.00 0.00 C ATOM 749 O ALA A 49 2.383 -13.503 -5.406 1.00 0.00 O ATOM 750 CB ALA A 49 1.678 -12.449 -8.415 1.00 0.00 C ATOM 0 H ALA A 49 0.278 -10.628 -7.578 1.00 0.00 H new ATOM 0 HA ALA A 49 0.432 -13.559 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.396 -13.262 -8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.962 -12.486 -9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.204 -11.495 -8.435 1.00 0.00 H new ATOM 756 N THR A 50 2.203 -11.305 -5.473 1.00 0.00 N ATOM 757 CA THR A 50 3.131 -11.130 -4.322 1.00 0.00 C ATOM 758 C THR A 50 2.455 -10.305 -3.220 1.00 0.00 C ATOM 759 O THR A 50 3.085 -9.924 -2.252 1.00 0.00 O ATOM 760 CB THR A 50 4.334 -10.380 -4.895 1.00 0.00 C ATOM 761 OG1 THR A 50 3.899 -9.152 -5.461 1.00 0.00 O ATOM 762 CG2 THR A 50 4.999 -11.234 -5.973 1.00 0.00 C ATOM 0 H THR A 50 1.834 -10.439 -5.865 1.00 0.00 H new ATOM 0 HA THR A 50 3.420 -12.081 -3.874 1.00 0.00 H new ATOM 0 HB THR A 50 5.051 -10.178 -4.099 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.669 -8.670 -5.827 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.857 -10.700 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.332 -12.176 -5.537 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.283 -11.436 -6.770 1.00 0.00 H new ATOM 770 N LYS A 51 1.174 -10.016 -3.359 1.00 0.00 N ATOM 771 CA LYS A 51 0.456 -9.209 -2.320 1.00 0.00 C ATOM 772 C LYS A 51 1.195 -7.892 -2.065 1.00 0.00 C ATOM 773 O LYS A 51 1.298 -7.434 -0.943 1.00 0.00 O ATOM 774 CB LYS A 51 0.447 -10.074 -1.053 1.00 0.00 C ATOM 775 CG LYS A 51 -0.281 -11.394 -1.331 1.00 0.00 C ATOM 776 CD LYS A 51 -1.704 -11.329 -0.767 1.00 0.00 C ATOM 777 CE LYS A 51 -2.114 -12.712 -0.253 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.219 -12.451 0.711 1.00 0.00 N ATOM 0 H LYS A 51 0.599 -10.307 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.555 -8.953 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.469 -10.273 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.046 -9.540 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.313 -11.583 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.263 -12.223 -0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.753 -10.600 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.398 -10.996 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.445 -13.354 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.278 -13.217 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.554 -13.352 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.872 -11.843 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.003 -11.976 0.220 1.00 0.00 H new ATOM 792 N THR A 52 1.719 -7.290 -3.102 1.00 0.00 N ATOM 793 CA THR A 52 2.461 -6.005 -2.925 1.00 0.00 C ATOM 794 C THR A 52 1.935 -4.938 -3.888 1.00 0.00 C ATOM 795 O THR A 52 1.736 -5.193 -5.060 1.00 0.00 O ATOM 796 CB THR A 52 3.917 -6.341 -3.248 1.00 0.00 C ATOM 797 OG1 THR A 52 4.276 -7.555 -2.604 1.00 0.00 O ATOM 798 CG2 THR A 52 4.823 -5.213 -2.756 1.00 0.00 C ATOM 0 H THR A 52 1.665 -7.632 -4.062 1.00 0.00 H new ATOM 0 HA THR A 52 2.343 -5.603 -1.919 1.00 0.00 H new ATOM 0 HB THR A 52 4.034 -6.454 -4.326 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.131 -8.306 -3.217 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.861 -5.453 -2.987 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.547 -4.282 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.708 -5.098 -1.678 1.00 0.00 H new ATOM 806 N PHE A 53 1.718 -3.739 -3.402 1.00 0.00 N ATOM 807 CA PHE A 53 1.216 -2.647 -4.287 1.00 0.00 C ATOM 808 C PHE A 53 2.411 -1.884 -4.886 1.00 0.00 C ATOM 809 O PHE A 53 3.540 -2.322 -4.767 1.00 0.00 O ATOM 810 CB PHE A 53 0.375 -1.751 -3.373 1.00 0.00 C ATOM 811 CG PHE A 53 -0.914 -2.460 -3.009 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.914 -3.451 -2.018 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.111 -2.126 -3.660 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.108 -4.106 -1.678 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.299 -2.781 -3.320 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.299 -3.769 -2.330 1.00 0.00 C ATOM 0 H PHE A 53 1.868 -3.472 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 53 0.625 -3.013 -5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.935 -1.508 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.154 -0.809 -3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.006 -3.711 -1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.115 -1.363 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.107 -4.869 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.219 -2.523 -3.823 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.218 -4.272 -2.069 1.00 0.00 H new ATOM 826 N THR A 54 2.188 -0.748 -5.519 1.00 0.00 N ATOM 827 CA THR A 54 3.326 0.015 -6.105 1.00 0.00 C ATOM 828 C THR A 54 2.893 1.462 -6.234 1.00 0.00 C ATOM 829 O THR A 54 2.207 1.831 -7.169 1.00 0.00 O ATOM 830 CB THR A 54 3.595 -0.594 -7.486 1.00 0.00 C ATOM 831 OG1 THR A 54 3.273 -1.979 -7.481 1.00 0.00 O ATOM 832 CG2 THR A 54 5.073 -0.419 -7.841 1.00 0.00 C ATOM 0 H THR A 54 1.269 -0.325 -5.650 1.00 0.00 H new ATOM 0 HA THR A 54 4.227 -0.032 -5.494 1.00 0.00 H new ATOM 0 HB THR A 54 2.975 -0.086 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.929 -2.238 -8.361 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.265 -0.852 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.320 0.643 -7.858 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.688 -0.923 -7.096 1.00 0.00 H new ATOM 840 N VAL A 55 3.259 2.274 -5.285 1.00 0.00 N ATOM 841 CA VAL A 55 2.831 3.699 -5.333 1.00 0.00 C ATOM 842 C VAL A 55 3.963 4.602 -5.830 1.00 0.00 C ATOM 843 O VAL A 55 4.889 4.930 -5.115 1.00 0.00 O ATOM 844 CB VAL A 55 2.360 4.061 -3.907 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.411 3.688 -2.861 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.071 5.562 -3.816 1.00 0.00 C ATOM 0 H VAL A 55 3.833 2.016 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 55 2.018 3.849 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 55 1.452 3.494 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.048 3.956 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.599 2.615 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.336 4.227 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.740 5.808 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.977 6.122 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.290 5.826 -4.529 1.00 0.00 H new ATOM 856 N THR A 56 3.860 5.021 -7.061 1.00 0.00 N ATOM 857 CA THR A 56 4.883 5.929 -7.648 1.00 0.00 C ATOM 858 C THR A 56 4.549 7.364 -7.213 1.00 0.00 C ATOM 859 O THR A 56 3.505 7.610 -6.639 1.00 0.00 O ATOM 860 CB THR A 56 4.739 5.713 -9.174 1.00 0.00 C ATOM 861 OG1 THR A 56 5.532 4.600 -9.561 1.00 0.00 O ATOM 862 CG2 THR A 56 5.184 6.945 -9.972 1.00 0.00 C ATOM 0 H THR A 56 3.100 4.769 -7.693 1.00 0.00 H new ATOM 0 HA THR A 56 5.909 5.739 -7.331 1.00 0.00 H new ATOM 0 HB THR A 56 3.686 5.535 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.445 4.456 -10.526 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.066 6.750 -11.038 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.572 7.802 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.230 7.160 -9.756 1.00 0.00 H new ATOM 870 N GLU A 57 5.421 8.303 -7.483 1.00 0.00 N ATOM 871 CA GLU A 57 5.147 9.717 -7.088 1.00 0.00 C ATOM 872 C GLU A 57 5.431 10.655 -8.265 1.00 0.00 C ATOM 873 O GLU A 57 4.705 11.623 -8.413 1.00 0.00 O ATOM 874 CB GLU A 57 6.103 10.001 -5.927 1.00 0.00 C ATOM 875 CG GLU A 57 5.874 11.425 -5.409 1.00 0.00 C ATOM 876 CD GLU A 57 6.887 12.373 -6.053 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.005 12.433 -5.568 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.530 13.024 -7.022 1.00 0.00 O ATOM 879 OXT GLU A 57 6.370 10.388 -8.997 1.00 0.00 O ATOM 0 H GLU A 57 6.310 8.151 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 57 4.107 9.873 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.941 9.281 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.136 9.885 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.859 11.749 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.976 11.449 -4.324 1.00 0.00 H new TER 886 GLU A 57