USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 764 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 HIS : no HD1:sc= -0.0687 X(o=-0.069,f=-0.0067) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00264 X(o=-0.0026,f=-0.0019) USER MOD Single : A 6 GLN : amide:sc= -0.302 K(o=-0.3,f=-2.3!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.24 K(o=-0.24,f=-2.7!) USER MOD Single : A 18 TYR OH : rot -42:sc= -5.38! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 26 GLN : amide:sc=-0.00575 K(o=-0.0057,f=-1.9!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 71:sc= -0.937! USER MOD Single : B 1 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.0036) USER MOD Single : B 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc=-0.00318 X(o=-0.0032,f=0) USER MOD Single : B 6 GLN : amide:sc= -0.257 K(o=-0.26,f=-2.4!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.7!) USER MOD Single : B 18 TYR OH : rot -40:sc= -5.4! USER MOD Single : B 19 THR OG1 : rot 80:sc= 4.9e-05 USER MOD Single : B 25 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.97) USER MOD Single : B 26 GLN : amide:sc= -0.034 K(o=-0.034,f=-1.8!) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 74:sc= -0.987! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 82.765 65.299 66.995 1.00 0.00 N ATOM 2 CA HIS A 1 83.646 65.191 65.796 1.00 0.00 C ATOM 3 C HIS A 1 84.673 64.071 65.992 1.00 0.00 C ATOM 4 O HIS A 1 84.650 63.069 65.307 1.00 0.00 O ATOM 5 CB HIS A 1 84.343 66.547 65.695 1.00 0.00 C ATOM 6 CG HIS A 1 83.868 67.267 64.462 1.00 0.00 C ATOM 7 ND1 HIS A 1 84.732 67.972 63.639 1.00 0.00 N ATOM 8 CD2 HIS A 1 82.621 67.403 63.903 1.00 0.00 C ATOM 9 CE1 HIS A 1 84.000 68.494 62.637 1.00 0.00 C ATOM 10 NE2 HIS A 1 82.707 68.178 62.750 1.00 0.00 N ATOM 0 H1 HIS A 1 82.073 66.062 66.850 1.00 0.00 H new ATOM 0 H2 HIS A 1 82.263 64.399 67.139 1.00 0.00 H new ATOM 0 H3 HIS A 1 83.343 65.511 67.833 1.00 0.00 H new ATOM 0 HA HIS A 1 83.086 64.952 64.892 1.00 0.00 H new ATOM 0 HB2 HIS A 1 84.130 67.144 66.582 1.00 0.00 H new ATOM 0 HB3 HIS A 1 85.424 66.410 65.655 1.00 0.00 H new ATOM 0 HD2 HIS A 1 81.712 66.974 64.298 1.00 0.00 H new ATOM 0 HE1 HIS A 1 84.409 69.095 61.838 1.00 0.00 H new ATOM 0 HE2 HIS A 1 81.946 68.447 62.126 1.00 0.00 H new ATOM 20 N MET A 2 85.573 64.236 66.922 1.00 0.00 N ATOM 21 CA MET A 2 86.601 63.181 67.161 1.00 0.00 C ATOM 22 C MET A 2 87.317 62.834 65.853 1.00 0.00 C ATOM 23 O MET A 2 87.057 61.817 65.242 1.00 0.00 O ATOM 24 CB MET A 2 85.817 61.975 67.680 1.00 0.00 C ATOM 25 CG MET A 2 86.791 60.936 68.241 1.00 0.00 C ATOM 26 SD MET A 2 85.858 59.572 68.980 1.00 0.00 S ATOM 27 CE MET A 2 87.244 58.795 69.847 1.00 0.00 C ATOM 0 H MET A 2 85.642 65.054 67.527 1.00 0.00 H new ATOM 0 HA MET A 2 87.367 63.503 67.866 1.00 0.00 H new ATOM 0 HB2 MET A 2 85.117 62.289 68.455 1.00 0.00 H new ATOM 0 HB3 MET A 2 85.226 61.538 66.875 1.00 0.00 H new ATOM 0 HG2 MET A 2 87.437 60.561 67.447 1.00 0.00 H new ATOM 0 HG3 MET A 2 87.438 61.395 68.988 1.00 0.00 H new ATOM 0 HE1 MET A 2 86.890 57.914 70.382 1.00 0.00 H new ATOM 0 HE2 MET A 2 88.005 58.500 69.125 1.00 0.00 H new ATOM 0 HE3 MET A 2 87.672 59.503 70.557 1.00 0.00 H new ATOM 37 N GLY A 3 88.218 63.672 65.419 1.00 0.00 N ATOM 38 CA GLY A 3 88.949 63.389 64.150 1.00 0.00 C ATOM 39 C GLY A 3 89.920 64.533 63.854 1.00 0.00 C ATOM 40 O GLY A 3 89.522 65.609 63.453 1.00 0.00 O ATOM 0 H GLY A 3 88.480 64.540 65.887 1.00 0.00 H new ATOM 0 HA2 GLY A 3 89.493 62.448 64.234 1.00 0.00 H new ATOM 0 HA3 GLY A 3 88.242 63.276 63.328 1.00 0.00 H new ATOM 44 N HIS A 4 91.191 64.312 64.050 1.00 0.00 N ATOM 45 CA HIS A 4 92.186 65.391 63.782 1.00 0.00 C ATOM 46 C HIS A 4 93.297 64.874 62.864 1.00 0.00 C ATOM 47 O HIS A 4 93.396 65.257 61.715 1.00 0.00 O ATOM 48 CB HIS A 4 92.752 65.757 65.154 1.00 0.00 C ATOM 49 CG HIS A 4 91.930 66.864 65.755 1.00 0.00 C ATOM 50 ND1 HIS A 4 92.461 68.116 66.024 1.00 0.00 N ATOM 51 CD2 HIS A 4 90.615 66.923 66.147 1.00 0.00 C ATOM 52 CE1 HIS A 4 91.478 68.868 66.553 1.00 0.00 C ATOM 53 NE2 HIS A 4 90.332 68.189 66.651 1.00 0.00 N ATOM 0 H HIS A 4 91.584 63.432 64.384 1.00 0.00 H new ATOM 0 HA HIS A 4 91.737 66.250 63.283 1.00 0.00 H new ATOM 0 HB2 HIS A 4 92.742 64.885 65.808 1.00 0.00 H new ATOM 0 HB3 HIS A 4 93.791 66.072 65.059 1.00 0.00 H new ATOM 0 HD2 HIS A 4 89.908 66.110 66.075 1.00 0.00 H new ATOM 0 HE1 HIS A 4 91.601 69.896 66.861 1.00 0.00 H new ATOM 0 HE2 HIS A 4 89.441 68.526 67.016 1.00 0.00 H new ATOM 61 N ILE A 5 94.134 64.008 63.363 1.00 0.00 N ATOM 62 CA ILE A 5 95.240 63.467 62.521 1.00 0.00 C ATOM 63 C ILE A 5 95.021 61.976 62.246 1.00 0.00 C ATOM 64 O ILE A 5 94.561 61.240 63.097 1.00 0.00 O ATOM 65 CB ILE A 5 96.508 63.679 63.348 1.00 0.00 C ATOM 66 CG1 ILE A 5 97.720 63.169 62.563 1.00 0.00 C ATOM 67 CG2 ILE A 5 96.395 62.908 64.665 1.00 0.00 C ATOM 68 CD1 ILE A 5 98.273 64.295 61.687 1.00 0.00 C ATOM 0 H ILE A 5 94.101 63.651 64.318 1.00 0.00 H new ATOM 0 HA ILE A 5 95.298 63.961 61.551 1.00 0.00 H new ATOM 0 HB ILE A 5 96.630 64.742 63.558 1.00 0.00 H new ATOM 0 HG12 ILE A 5 98.490 62.817 63.250 1.00 0.00 H new ATOM 0 HG13 ILE A 5 97.434 62.319 61.943 1.00 0.00 H new ATOM 0 HG21 ILE A 5 97.299 63.060 65.254 1.00 0.00 H new ATOM 0 HG22 ILE A 5 95.532 63.269 65.225 1.00 0.00 H new ATOM 0 HG23 ILE A 5 96.273 61.845 64.455 1.00 0.00 H new ATOM 0 HD11 ILE A 5 99.136 63.931 61.129 1.00 0.00 H new ATOM 0 HD12 ILE A 5 97.503 64.626 60.990 1.00 0.00 H new ATOM 0 HD13 ILE A 5 98.575 65.131 62.317 1.00 0.00 H new ATOM 80 N GLN A 6 95.347 61.529 61.065 1.00 0.00 N ATOM 81 CA GLN A 6 95.159 60.087 60.733 1.00 0.00 C ATOM 82 C GLN A 6 95.890 59.747 59.431 1.00 0.00 C ATOM 83 O GLN A 6 95.288 59.334 58.460 1.00 0.00 O ATOM 84 CB GLN A 6 93.649 59.912 60.562 1.00 0.00 C ATOM 85 CG GLN A 6 93.152 60.839 59.450 1.00 0.00 C ATOM 86 CD GLN A 6 91.687 61.201 59.704 1.00 0.00 C ATOM 87 OE1 GLN A 6 91.234 61.198 60.831 1.00 0.00 O ATOM 88 NE2 GLN A 6 90.922 61.517 58.695 1.00 0.00 N ATOM 0 H GLN A 6 95.736 62.100 60.314 1.00 0.00 H new ATOM 0 HA GLN A 6 95.559 59.429 61.505 1.00 0.00 H new ATOM 0 HB2 GLN A 6 93.417 58.875 60.317 1.00 0.00 H new ATOM 0 HB3 GLN A 6 93.137 60.141 61.497 1.00 0.00 H new ATOM 0 HG2 GLN A 6 93.760 61.743 59.416 1.00 0.00 H new ATOM 0 HG3 GLN A 6 93.254 60.350 58.481 1.00 0.00 H new ATOM 0 HE21 GLN A 6 91.302 61.520 57.748 1.00 0.00 H new ATOM 0 HE22 GLN A 6 89.944 61.761 58.853 1.00 0.00 H new ATOM 97 N ILE A 7 97.183 59.919 59.402 1.00 0.00 N ATOM 98 CA ILE A 7 97.948 59.607 58.159 1.00 0.00 C ATOM 99 C ILE A 7 99.107 58.649 58.474 1.00 0.00 C ATOM 100 O ILE A 7 99.549 58.564 59.602 1.00 0.00 O ATOM 101 CB ILE A 7 98.468 60.958 57.653 1.00 0.00 C ATOM 102 CG1 ILE A 7 99.499 61.520 58.635 1.00 0.00 C ATOM 103 CG2 ILE A 7 97.304 61.942 57.521 1.00 0.00 C ATOM 104 CD1 ILE A 7 100.876 60.953 58.294 1.00 0.00 C ATOM 0 H ILE A 7 97.743 60.261 60.183 1.00 0.00 H new ATOM 0 HA ILE A 7 97.332 59.112 57.408 1.00 0.00 H new ATOM 0 HB ILE A 7 98.937 60.816 56.679 1.00 0.00 H new ATOM 0 HG12 ILE A 7 99.516 62.608 58.580 1.00 0.00 H new ATOM 0 HG13 ILE A 7 99.227 61.257 59.657 1.00 0.00 H new ATOM 0 HG21 ILE A 7 97.677 62.901 57.161 1.00 0.00 H new ATOM 0 HG22 ILE A 7 96.573 61.549 56.814 1.00 0.00 H new ATOM 0 HG23 ILE A 7 96.831 62.079 58.493 1.00 0.00 H new ATOM 0 HD11 ILE A 7 101.615 61.349 58.990 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.851 59.866 58.371 1.00 0.00 H new ATOM 0 HD13 ILE A 7 101.145 61.238 57.277 1.00 0.00 H new ATOM 116 N PRO A 8 99.563 57.957 57.457 1.00 0.00 N ATOM 117 CA PRO A 8 100.683 56.999 57.635 1.00 0.00 C ATOM 118 C PRO A 8 102.006 57.750 57.847 1.00 0.00 C ATOM 119 O PRO A 8 102.460 58.451 56.964 1.00 0.00 O ATOM 120 CB PRO A 8 100.707 56.227 56.320 1.00 0.00 C ATOM 121 CG PRO A 8 100.086 57.148 55.323 1.00 0.00 C ATOM 122 CD PRO A 8 99.091 57.996 56.068 1.00 0.00 C ATOM 0 HA PRO A 8 100.557 56.353 58.504 1.00 0.00 H new ATOM 0 HB2 PRO A 8 101.726 55.964 56.035 1.00 0.00 H new ATOM 0 HB3 PRO A 8 100.148 55.295 56.399 1.00 0.00 H new ATOM 0 HG2 PRO A 8 100.844 57.771 54.848 1.00 0.00 H new ATOM 0 HG3 PRO A 8 99.595 56.584 54.530 1.00 0.00 H new ATOM 0 HD2 PRO A 8 99.067 59.015 55.683 1.00 0.00 H new ATOM 0 HD3 PRO A 8 98.080 57.598 55.978 1.00 0.00 H new ATOM 130 N PRO A 9 102.588 57.583 59.011 1.00 0.00 N ATOM 131 CA PRO A 9 103.871 58.265 59.315 1.00 0.00 C ATOM 132 C PRO A 9 105.019 57.606 58.545 1.00 0.00 C ATOM 133 O PRO A 9 104.978 56.433 58.234 1.00 0.00 O ATOM 134 CB PRO A 9 104.040 58.064 60.818 1.00 0.00 C ATOM 135 CG PRO A 9 103.249 56.835 61.137 1.00 0.00 C ATOM 136 CD PRO A 9 102.121 56.762 60.139 1.00 0.00 C ATOM 0 HA PRO A 9 103.875 59.317 59.029 1.00 0.00 H new ATOM 0 HB2 PRO A 9 105.090 57.937 61.083 1.00 0.00 H new ATOM 0 HB3 PRO A 9 103.672 58.926 61.375 1.00 0.00 H new ATOM 0 HG2 PRO A 9 103.877 55.946 61.075 1.00 0.00 H new ATOM 0 HG3 PRO A 9 102.861 56.880 62.154 1.00 0.00 H new ATOM 0 HD2 PRO A 9 101.927 55.735 59.831 1.00 0.00 H new ATOM 0 HD3 PRO A 9 101.192 57.150 60.557 1.00 0.00 H new ATOM 144 N GLY A 10 106.043 58.354 58.233 1.00 0.00 N ATOM 145 CA GLY A 10 107.191 57.769 57.482 1.00 0.00 C ATOM 146 C GLY A 10 107.383 58.528 56.168 1.00 0.00 C ATOM 147 O GLY A 10 108.486 58.672 55.678 1.00 0.00 O ATOM 0 H GLY A 10 106.134 59.343 58.465 1.00 0.00 H new ATOM 0 HA2 GLY A 10 108.099 57.826 58.083 1.00 0.00 H new ATOM 0 HA3 GLY A 10 107.007 56.714 57.281 1.00 0.00 H new ATOM 151 N LEU A 11 106.318 59.015 55.593 1.00 0.00 N ATOM 152 CA LEU A 11 106.441 59.765 54.309 1.00 0.00 C ATOM 153 C LEU A 11 107.023 61.158 54.563 1.00 0.00 C ATOM 154 O LEU A 11 107.652 61.745 53.705 1.00 0.00 O ATOM 155 CB LEU A 11 105.013 59.870 53.773 1.00 0.00 C ATOM 156 CG LEU A 11 104.701 58.648 52.907 1.00 0.00 C ATOM 157 CD1 LEU A 11 103.881 57.643 53.716 1.00 0.00 C ATOM 158 CD2 LEU A 11 103.899 59.088 51.680 1.00 0.00 C ATOM 0 H LEU A 11 105.369 58.927 55.955 1.00 0.00 H new ATOM 0 HA LEU A 11 107.106 59.268 53.603 1.00 0.00 H new ATOM 0 HB2 LEU A 11 104.306 59.932 54.601 1.00 0.00 H new ATOM 0 HB3 LEU A 11 104.899 60.782 53.187 1.00 0.00 H new ATOM 0 HG LEU A 11 105.633 58.181 52.588 1.00 0.00 H new ATOM 0 HD11 LEU A 11 103.659 56.773 53.098 1.00 0.00 H new ATOM 0 HD12 LEU A 11 104.450 57.331 54.592 1.00 0.00 H new ATOM 0 HD13 LEU A 11 102.948 58.108 54.036 1.00 0.00 H new ATOM 0 HD21 LEU A 11 103.675 58.219 51.061 1.00 0.00 H new ATOM 0 HD22 LEU A 11 102.968 59.554 52.002 1.00 0.00 H new ATOM 0 HD23 LEU A 11 104.482 59.805 51.102 1.00 0.00 H new ATOM 170 N THR A 12 106.819 61.692 55.737 1.00 0.00 N ATOM 171 CA THR A 12 107.360 63.047 56.045 1.00 0.00 C ATOM 172 C THR A 12 108.876 63.072 55.842 1.00 0.00 C ATOM 173 O THR A 12 109.391 63.802 55.019 1.00 0.00 O ATOM 174 CB THR A 12 107.012 63.287 57.515 1.00 0.00 C ATOM 175 OG1 THR A 12 105.603 63.223 57.682 1.00 0.00 O ATOM 176 CG2 THR A 12 107.517 64.664 57.943 1.00 0.00 C ATOM 0 H THR A 12 106.301 61.249 56.496 1.00 0.00 H new ATOM 0 HA THR A 12 106.941 63.816 55.395 1.00 0.00 H new ATOM 0 HB THR A 12 107.486 62.523 58.131 1.00 0.00 H new ATOM 0 HG1 THR A 12 105.378 63.375 58.624 1.00 0.00 H new ATOM 0 HG21 THR A 12 107.268 64.833 58.991 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.598 64.711 57.815 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.045 65.431 57.329 1.00 0.00 H new ATOM 184 N GLU A 13 109.593 62.277 56.587 1.00 0.00 N ATOM 185 CA GLU A 13 111.079 62.249 56.444 1.00 0.00 C ATOM 186 C GLU A 13 111.470 62.075 54.973 1.00 0.00 C ATOM 187 O GLU A 13 112.303 62.790 54.454 1.00 0.00 O ATOM 188 CB GLU A 13 111.531 61.041 57.264 1.00 0.00 C ATOM 189 CG GLU A 13 112.174 61.519 58.568 1.00 0.00 C ATOM 190 CD GLU A 13 111.092 62.070 59.499 1.00 0.00 C ATOM 191 OE1 GLU A 13 110.421 61.273 60.132 1.00 0.00 O ATOM 192 OE2 GLU A 13 110.955 63.281 59.562 1.00 0.00 O ATOM 0 H GLU A 13 109.214 61.643 57.291 1.00 0.00 H new ATOM 0 HA GLU A 13 111.543 63.174 56.787 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.679 60.397 57.481 1.00 0.00 H new ATOM 0 HB3 GLU A 13 112.243 60.446 56.692 1.00 0.00 H new ATOM 0 HG2 GLU A 13 112.699 60.694 59.051 1.00 0.00 H new ATOM 0 HG3 GLU A 13 112.916 62.290 58.359 1.00 0.00 H new ATOM 199 N LEU A 14 110.874 61.131 54.300 1.00 0.00 N ATOM 200 CA LEU A 14 111.210 60.912 52.864 1.00 0.00 C ATOM 201 C LEU A 14 111.010 62.207 52.072 1.00 0.00 C ATOM 202 O LEU A 14 111.922 62.712 51.446 1.00 0.00 O ATOM 203 CB LEU A 14 110.231 59.839 52.388 1.00 0.00 C ATOM 204 CG LEU A 14 111.009 58.614 51.903 1.00 0.00 C ATOM 205 CD1 LEU A 14 111.539 57.835 53.107 1.00 0.00 C ATOM 206 CD2 LEU A 14 110.080 57.716 51.083 1.00 0.00 C ATOM 0 H LEU A 14 110.168 60.501 54.682 1.00 0.00 H new ATOM 0 HA LEU A 14 112.248 60.609 52.724 1.00 0.00 H new ATOM 0 HB2 LEU A 14 109.560 59.558 53.200 1.00 0.00 H new ATOM 0 HB3 LEU A 14 109.610 60.231 51.582 1.00 0.00 H new ATOM 0 HG LEU A 14 111.846 58.936 51.284 1.00 0.00 H new ATOM 0 HD11 LEU A 14 112.093 56.963 52.761 1.00 0.00 H new ATOM 0 HD12 LEU A 14 112.199 58.475 53.693 1.00 0.00 H new ATOM 0 HD13 LEU A 14 110.703 57.511 53.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 110.632 56.842 50.736 1.00 0.00 H new ATOM 0 HD22 LEU A 14 109.244 57.394 51.704 1.00 0.00 H new ATOM 0 HD23 LEU A 14 109.702 58.271 50.224 1.00 0.00 H new ATOM 218 N LEU A 15 109.823 62.750 52.096 1.00 0.00 N ATOM 219 CA LEU A 15 109.564 64.011 51.345 1.00 0.00 C ATOM 220 C LEU A 15 110.466 65.133 51.867 1.00 0.00 C ATOM 221 O LEU A 15 110.970 65.939 51.109 1.00 0.00 O ATOM 222 CB LEU A 15 108.093 64.333 51.608 1.00 0.00 C ATOM 223 CG LEU A 15 107.215 63.205 51.058 1.00 0.00 C ATOM 224 CD1 LEU A 15 105.742 63.550 51.283 1.00 0.00 C ATOM 225 CD2 LEU A 15 107.474 63.039 49.557 1.00 0.00 C ATOM 0 H LEU A 15 109.022 62.375 52.603 1.00 0.00 H new ATOM 0 HA LEU A 15 109.773 63.909 50.280 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.922 64.452 52.678 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.827 65.278 51.135 1.00 0.00 H new ATOM 0 HG LEU A 15 107.455 62.275 51.574 1.00 0.00 H new ATOM 0 HD11 LEU A 15 105.117 62.748 50.892 1.00 0.00 H new ATOM 0 HD12 LEU A 15 105.555 63.668 52.350 1.00 0.00 H new ATOM 0 HD13 LEU A 15 105.503 64.480 50.767 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.849 62.236 49.167 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.234 63.969 49.041 1.00 0.00 H new ATOM 0 HD23 LEU A 15 108.523 62.794 49.394 1.00 0.00 H new ATOM 237 N GLN A 16 110.683 65.190 53.154 1.00 0.00 N ATOM 238 CA GLN A 16 111.560 66.260 53.713 1.00 0.00 C ATOM 239 C GLN A 16 112.916 66.241 53.003 1.00 0.00 C ATOM 240 O GLN A 16 113.456 67.270 52.649 1.00 0.00 O ATOM 241 CB GLN A 16 111.722 65.915 55.193 1.00 0.00 C ATOM 242 CG GLN A 16 111.193 67.070 56.046 1.00 0.00 C ATOM 243 CD GLN A 16 111.966 67.127 57.364 1.00 0.00 C ATOM 244 OE1 GLN A 16 113.084 66.656 57.447 1.00 0.00 O ATOM 245 NE2 GLN A 16 111.415 67.685 58.406 1.00 0.00 N ATOM 0 H GLN A 16 110.293 64.544 53.840 1.00 0.00 H new ATOM 0 HA GLN A 16 111.139 67.256 53.577 1.00 0.00 H new ATOM 0 HB2 GLN A 16 111.179 64.999 55.425 1.00 0.00 H new ATOM 0 HB3 GLN A 16 112.772 65.731 55.422 1.00 0.00 H new ATOM 0 HG2 GLN A 16 111.300 68.012 55.508 1.00 0.00 H new ATOM 0 HG3 GLN A 16 110.129 66.934 56.242 1.00 0.00 H new ATOM 0 HE21 GLN A 16 110.477 68.080 58.337 1.00 0.00 H new ATOM 0 HE22 GLN A 16 111.922 67.726 59.290 1.00 0.00 H new ATOM 254 N GLY A 17 113.464 65.076 52.782 1.00 0.00 N ATOM 255 CA GLY A 17 114.777 64.994 52.083 1.00 0.00 C ATOM 256 C GLY A 17 114.661 65.697 50.730 1.00 0.00 C ATOM 257 O GLY A 17 115.400 66.615 50.431 1.00 0.00 O ATOM 0 H GLY A 17 113.060 64.180 53.055 1.00 0.00 H new ATOM 0 HA2 GLY A 17 115.555 65.462 52.686 1.00 0.00 H new ATOM 0 HA3 GLY A 17 115.066 63.952 51.943 1.00 0.00 H new ATOM 261 N TYR A 18 113.727 65.279 49.915 1.00 0.00 N ATOM 262 CA TYR A 18 113.539 65.922 48.581 1.00 0.00 C ATOM 263 C TYR A 18 113.533 67.447 48.719 1.00 0.00 C ATOM 264 O TYR A 18 114.176 68.153 47.968 1.00 0.00 O ATOM 265 CB TYR A 18 112.174 65.425 48.107 1.00 0.00 C ATOM 266 CG TYR A 18 112.186 65.276 46.609 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.225 64.554 45.985 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.161 65.858 45.833 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.240 64.413 44.580 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.174 65.719 44.428 1.00 0.00 C ATOM 271 CZ TYR A 18 112.214 64.996 43.800 1.00 0.00 C ATOM 272 OH TYR A 18 112.228 64.860 42.428 1.00 0.00 O ATOM 0 H TYR A 18 113.083 64.515 50.118 1.00 0.00 H new ATOM 0 HA TYR A 18 114.338 65.673 47.883 1.00 0.00 H new ATOM 0 HB2 TYR A 18 111.940 64.469 48.576 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.396 66.126 48.407 1.00 0.00 H new ATOM 0 HD1 TYR A 18 114.008 64.110 46.581 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.367 66.410 46.314 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.035 63.860 44.101 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.390 66.165 43.834 1.00 0.00 H new ATOM 0 HH TYR A 18 113.141 64.987 42.096 1.00 0.00 H new ATOM 282 N THR A 19 112.813 67.954 49.680 1.00 0.00 N ATOM 283 CA THR A 19 112.761 69.430 49.880 1.00 0.00 C ATOM 284 C THR A 19 114.164 69.963 50.192 1.00 0.00 C ATOM 285 O THR A 19 114.514 71.070 49.831 1.00 0.00 O ATOM 286 CB THR A 19 111.828 69.623 51.078 1.00 0.00 C ATOM 287 OG1 THR A 19 110.511 69.227 50.717 1.00 0.00 O ATOM 288 CG2 THR A 19 111.820 71.091 51.504 1.00 0.00 C ATOM 0 H THR A 19 112.256 67.409 50.338 1.00 0.00 H new ATOM 0 HA THR A 19 112.408 69.965 48.998 1.00 0.00 H new ATOM 0 HB THR A 19 112.181 69.013 51.910 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.912 69.348 51.483 1.00 0.00 H new ATOM 0 HG21 THR A 19 111.153 71.219 52.357 1.00 0.00 H new ATOM 0 HG22 THR A 19 112.829 71.394 51.783 1.00 0.00 H new ATOM 0 HG23 THR A 19 111.472 71.708 50.676 1.00 0.00 H new ATOM 296 N VAL A 20 114.967 69.183 50.861 1.00 0.00 N ATOM 297 CA VAL A 20 116.345 69.642 51.202 1.00 0.00 C ATOM 298 C VAL A 20 117.296 69.419 50.023 1.00 0.00 C ATOM 299 O VAL A 20 118.279 70.116 49.867 1.00 0.00 O ATOM 300 CB VAL A 20 116.760 68.784 52.396 1.00 0.00 C ATOM 301 CG1 VAL A 20 118.144 69.219 52.883 1.00 0.00 C ATOM 302 CG2 VAL A 20 115.743 68.960 53.526 1.00 0.00 C ATOM 0 H VAL A 20 114.729 68.246 51.187 1.00 0.00 H new ATOM 0 HA VAL A 20 116.377 70.707 51.430 1.00 0.00 H new ATOM 0 HB VAL A 20 116.795 67.737 52.096 1.00 0.00 H new ATOM 0 HG11 VAL A 20 118.439 68.606 53.735 1.00 0.00 H new ATOM 0 HG12 VAL A 20 118.869 69.095 52.078 1.00 0.00 H new ATOM 0 HG13 VAL A 20 118.111 70.266 53.183 1.00 0.00 H new ATOM 0 HG21 VAL A 20 116.037 68.349 54.379 1.00 0.00 H new ATOM 0 HG22 VAL A 20 115.709 70.008 53.825 1.00 0.00 H new ATOM 0 HG23 VAL A 20 114.757 68.649 53.180 1.00 0.00 H new ATOM 312 N GLU A 21 117.012 68.457 49.187 1.00 0.00 N ATOM 313 CA GLU A 21 117.910 68.204 48.016 1.00 0.00 C ATOM 314 C GLU A 21 117.590 69.210 46.919 1.00 0.00 C ATOM 315 O GLU A 21 118.430 69.978 46.489 1.00 0.00 O ATOM 316 CB GLU A 21 117.605 66.784 47.500 1.00 0.00 C ATOM 317 CG GLU A 21 117.232 65.837 48.643 1.00 0.00 C ATOM 318 CD GLU A 21 117.965 64.507 48.467 1.00 0.00 C ATOM 319 OE1 GLU A 21 119.154 64.540 48.193 1.00 0.00 O ATOM 320 OE2 GLU A 21 117.327 63.477 48.610 1.00 0.00 O ATOM 0 H GLU A 21 116.205 67.838 49.260 1.00 0.00 H new ATOM 0 HA GLU A 21 118.958 68.299 48.300 1.00 0.00 H new ATOM 0 HB2 GLU A 21 116.788 66.826 46.780 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.475 66.393 46.972 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.496 66.285 49.601 1.00 0.00 H new ATOM 0 HG3 GLU A 21 116.155 65.671 48.655 1.00 0.00 H new ATOM 327 N VAL A 22 116.372 69.202 46.467 1.00 0.00 N ATOM 328 CA VAL A 22 115.961 70.144 45.392 1.00 0.00 C ATOM 329 C VAL A 22 116.276 71.582 45.814 1.00 0.00 C ATOM 330 O VAL A 22 116.602 72.420 44.997 1.00 0.00 O ATOM 331 CB VAL A 22 114.451 69.939 45.234 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.967 70.704 44.009 1.00 0.00 C ATOM 333 CG2 VAL A 22 114.140 68.450 45.042 1.00 0.00 C ATOM 0 H VAL A 22 115.636 68.578 46.798 1.00 0.00 H new ATOM 0 HA VAL A 22 116.488 69.964 44.455 1.00 0.00 H new ATOM 0 HB VAL A 22 113.947 70.302 46.130 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.893 70.561 43.892 1.00 0.00 H new ATOM 0 HG12 VAL A 22 114.181 71.765 44.135 1.00 0.00 H new ATOM 0 HG13 VAL A 22 114.481 70.333 43.122 1.00 0.00 H new ATOM 0 HG21 VAL A 22 113.064 68.314 44.931 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.646 68.085 44.148 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.488 67.891 45.910 1.00 0.00 H new ATOM 343 N LEU A 23 116.188 71.876 47.082 1.00 0.00 N ATOM 344 CA LEU A 23 116.492 73.261 47.547 1.00 0.00 C ATOM 345 C LEU A 23 118.005 73.453 47.684 1.00 0.00 C ATOM 346 O LEU A 23 118.500 74.563 47.701 1.00 0.00 O ATOM 347 CB LEU A 23 115.812 73.381 48.912 1.00 0.00 C ATOM 348 CG LEU A 23 115.911 74.827 49.406 1.00 0.00 C ATOM 349 CD1 LEU A 23 114.898 75.693 48.656 1.00 0.00 C ATOM 350 CD2 LEU A 23 115.610 74.874 50.906 1.00 0.00 C ATOM 0 H LEU A 23 115.920 71.220 47.815 1.00 0.00 H new ATOM 0 HA LEU A 23 116.137 74.017 46.847 1.00 0.00 H new ATOM 0 HB2 LEU A 23 114.767 73.082 48.837 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.286 72.708 49.627 1.00 0.00 H new ATOM 0 HG LEU A 23 116.917 75.205 49.224 1.00 0.00 H new ATOM 0 HD11 LEU A 23 114.968 76.722 49.008 1.00 0.00 H new ATOM 0 HD12 LEU A 23 115.111 75.659 47.588 1.00 0.00 H new ATOM 0 HD13 LEU A 23 113.892 75.316 48.838 1.00 0.00 H new ATOM 0 HD21 LEU A 23 115.680 75.903 51.259 1.00 0.00 H new ATOM 0 HD22 LEU A 23 114.604 74.496 51.087 1.00 0.00 H new ATOM 0 HD23 LEU A 23 116.331 74.257 51.441 1.00 0.00 H new ATOM 362 N ARG A 24 118.744 72.380 47.786 1.00 0.00 N ATOM 363 CA ARG A 24 120.223 72.504 47.927 1.00 0.00 C ATOM 364 C ARG A 24 120.885 72.630 46.550 1.00 0.00 C ATOM 365 O ARG A 24 121.698 73.504 46.321 1.00 0.00 O ATOM 366 CB ARG A 24 120.664 71.209 48.613 1.00 0.00 C ATOM 367 CG ARG A 24 120.784 71.443 50.120 1.00 0.00 C ATOM 368 CD ARG A 24 122.241 71.749 50.475 1.00 0.00 C ATOM 369 NE ARG A 24 122.177 72.471 51.775 1.00 0.00 N ATOM 370 CZ ARG A 24 123.109 73.330 52.090 1.00 0.00 C ATOM 371 NH1 ARG A 24 124.352 72.943 52.178 1.00 0.00 N ATOM 372 NH2 ARG A 24 122.795 74.577 52.317 1.00 0.00 N ATOM 0 H ARG A 24 118.387 71.424 47.778 1.00 0.00 H new ATOM 0 HA ARG A 24 120.507 73.389 48.496 1.00 0.00 H new ATOM 0 HB2 ARG A 24 119.943 70.416 48.414 1.00 0.00 H new ATOM 0 HB3 ARG A 24 121.621 70.879 48.209 1.00 0.00 H new ATOM 0 HG2 ARG A 24 120.143 72.271 50.422 1.00 0.00 H new ATOM 0 HG3 ARG A 24 120.443 70.562 50.664 1.00 0.00 H new ATOM 0 HD2 ARG A 24 122.827 70.834 50.560 1.00 0.00 H new ATOM 0 HD3 ARG A 24 122.714 72.360 49.707 1.00 0.00 H new ATOM 0 HE ARG A 24 121.406 72.295 52.419 1.00 0.00 H new ATOM 0 HH11 ARG A 24 124.597 71.969 52.001 1.00 0.00 H new ATOM 0 HH12 ARG A 24 125.079 73.615 52.424 1.00 0.00 H new ATOM 0 HH21 ARG A 24 121.823 74.879 52.248 1.00 0.00 H new ATOM 0 HH22 ARG A 24 123.522 75.249 52.563 1.00 0.00 H new ATOM 386 N GLN A 25 120.549 71.762 45.635 1.00 0.00 N ATOM 387 CA GLN A 25 121.167 71.834 44.281 1.00 0.00 C ATOM 388 C GLN A 25 120.219 72.517 43.289 1.00 0.00 C ATOM 389 O GLN A 25 120.642 73.056 42.285 1.00 0.00 O ATOM 390 CB GLN A 25 121.414 70.378 43.876 1.00 0.00 C ATOM 391 CG GLN A 25 120.081 69.632 43.783 1.00 0.00 C ATOM 392 CD GLN A 25 120.171 68.326 44.574 1.00 0.00 C ATOM 393 OE1 GLN A 25 120.026 67.256 44.020 1.00 0.00 O ATOM 394 NE2 GLN A 25 120.407 68.370 45.857 1.00 0.00 N ATOM 0 H GLN A 25 119.875 71.008 45.766 1.00 0.00 H new ATOM 0 HA GLN A 25 122.087 72.418 44.284 1.00 0.00 H new ATOM 0 HB2 GLN A 25 121.930 70.340 42.917 1.00 0.00 H new ATOM 0 HB3 GLN A 25 122.062 69.893 44.606 1.00 0.00 H new ATOM 0 HG2 GLN A 25 119.276 70.253 44.176 1.00 0.00 H new ATOM 0 HG3 GLN A 25 119.841 69.422 42.741 1.00 0.00 H new ATOM 0 HE21 GLN A 25 120.529 69.269 46.323 1.00 0.00 H new ATOM 0 HE22 GLN A 25 120.470 67.505 46.394 1.00 0.00 H new ATOM 403 N GLN A 26 118.941 72.501 43.559 1.00 0.00 N ATOM 404 CA GLN A 26 117.972 73.152 42.628 1.00 0.00 C ATOM 405 C GLN A 26 118.220 72.693 41.185 1.00 0.00 C ATOM 406 O GLN A 26 118.694 73.456 40.368 1.00 0.00 O ATOM 407 CB GLN A 26 118.240 74.650 42.768 1.00 0.00 C ATOM 408 CG GLN A 26 117.156 75.281 43.644 1.00 0.00 C ATOM 409 CD GLN A 26 117.216 76.804 43.517 1.00 0.00 C ATOM 410 OE1 GLN A 26 118.007 77.331 42.760 1.00 0.00 O ATOM 411 NE2 GLN A 26 116.408 77.538 44.230 1.00 0.00 N ATOM 0 H GLN A 26 118.526 72.066 44.383 1.00 0.00 H new ATOM 0 HA GLN A 26 116.939 72.895 42.864 1.00 0.00 H new ATOM 0 HB2 GLN A 26 119.222 74.815 43.211 1.00 0.00 H new ATOM 0 HB3 GLN A 26 118.250 75.122 41.786 1.00 0.00 H new ATOM 0 HG2 GLN A 26 116.173 74.919 43.341 1.00 0.00 H new ATOM 0 HG3 GLN A 26 117.298 74.987 44.684 1.00 0.00 H new ATOM 0 HE21 GLN A 26 115.744 77.096 44.865 1.00 0.00 H new ATOM 0 HE22 GLN A 26 116.440 78.555 44.152 1.00 0.00 H new ATOM 420 N PRO A 27 117.890 71.453 40.916 1.00 0.00 N ATOM 421 CA PRO A 27 118.084 70.898 39.555 1.00 0.00 C ATOM 422 C PRO A 27 117.073 71.513 38.578 1.00 0.00 C ATOM 423 O PRO A 27 116.009 71.938 38.981 1.00 0.00 O ATOM 424 CB PRO A 27 117.828 69.404 39.735 1.00 0.00 C ATOM 425 CG PRO A 27 116.952 69.307 40.941 1.00 0.00 C ATOM 426 CD PRO A 27 117.313 70.463 41.835 1.00 0.00 C ATOM 0 HA PRO A 27 119.071 71.108 39.143 1.00 0.00 H new ATOM 0 HB2 PRO A 27 117.341 68.978 38.858 1.00 0.00 H new ATOM 0 HB3 PRO A 27 118.760 68.858 39.879 1.00 0.00 H new ATOM 0 HG2 PRO A 27 115.900 69.350 40.659 1.00 0.00 H new ATOM 0 HG3 PRO A 27 117.106 68.358 41.455 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.437 70.858 42.350 1.00 0.00 H new ATOM 0 HD3 PRO A 27 118.028 70.166 42.603 1.00 0.00 H new ATOM 434 N PRO A 28 117.437 71.539 37.319 1.00 0.00 N ATOM 435 CA PRO A 28 116.539 72.107 36.285 1.00 0.00 C ATOM 436 C PRO A 28 115.328 71.196 36.073 1.00 0.00 C ATOM 437 O PRO A 28 114.209 71.653 35.951 1.00 0.00 O ATOM 438 CB PRO A 28 117.416 72.154 35.035 1.00 0.00 C ATOM 439 CG PRO A 28 118.457 71.108 35.258 1.00 0.00 C ATOM 440 CD PRO A 28 118.697 71.048 36.744 1.00 0.00 C ATOM 0 HA PRO A 28 116.138 73.085 36.553 1.00 0.00 H new ATOM 0 HB2 PRO A 28 116.835 71.948 34.136 1.00 0.00 H new ATOM 0 HB3 PRO A 28 117.866 73.138 34.905 1.00 0.00 H new ATOM 0 HG2 PRO A 28 118.122 70.142 34.880 1.00 0.00 H new ATOM 0 HG3 PRO A 28 119.376 71.357 34.727 1.00 0.00 H new ATOM 0 HD2 PRO A 28 118.919 70.033 37.073 1.00 0.00 H new ATOM 0 HD3 PRO A 28 119.542 71.671 37.039 1.00 0.00 H new ATOM 448 N ASP A 29 115.542 69.909 36.034 1.00 0.00 N ATOM 449 CA ASP A 29 114.400 68.970 35.836 1.00 0.00 C ATOM 450 C ASP A 29 114.134 68.185 37.122 1.00 0.00 C ATOM 451 O ASP A 29 114.951 67.399 37.562 1.00 0.00 O ATOM 452 CB ASP A 29 114.846 68.030 34.716 1.00 0.00 C ATOM 453 CG ASP A 29 116.169 67.368 35.100 1.00 0.00 C ATOM 454 OD1 ASP A 29 117.160 68.074 35.187 1.00 0.00 O ATOM 455 OD2 ASP A 29 116.169 66.164 35.302 1.00 0.00 O ATOM 0 H ASP A 29 116.456 69.467 36.130 1.00 0.00 H new ATOM 0 HA ASP A 29 113.476 69.491 35.584 1.00 0.00 H new ATOM 0 HB2 ASP A 29 114.085 67.270 34.540 1.00 0.00 H new ATOM 0 HB3 ASP A 29 114.962 68.586 33.786 1.00 0.00 H new ATOM 460 N LEU A 30 112.998 68.391 37.727 1.00 0.00 N ATOM 461 CA LEU A 30 112.676 67.657 38.985 1.00 0.00 C ATOM 462 C LEU A 30 112.071 66.292 38.652 1.00 0.00 C ATOM 463 O LEU A 30 112.280 65.320 39.351 1.00 0.00 O ATOM 464 CB LEU A 30 111.655 68.538 39.706 1.00 0.00 C ATOM 465 CG LEU A 30 111.264 67.891 41.036 1.00 0.00 C ATOM 466 CD1 LEU A 30 111.884 68.682 42.189 1.00 0.00 C ATOM 467 CD2 LEU A 30 109.740 67.896 41.176 1.00 0.00 C ATOM 0 H LEU A 30 112.277 69.037 37.405 1.00 0.00 H new ATOM 0 HA LEU A 30 113.558 67.474 39.599 1.00 0.00 H new ATOM 0 HB2 LEU A 30 112.075 69.528 39.882 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.771 68.672 39.082 1.00 0.00 H new ATOM 0 HG LEU A 30 111.629 66.864 41.062 1.00 0.00 H new ATOM 0 HD11 LEU A 30 111.606 68.222 43.137 1.00 0.00 H new ATOM 0 HD12 LEU A 30 112.969 68.680 42.089 1.00 0.00 H new ATOM 0 HD13 LEU A 30 111.519 69.709 42.163 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.460 67.435 42.123 1.00 0.00 H new ATOM 0 HD22 LEU A 30 109.376 68.923 41.150 1.00 0.00 H new ATOM 0 HD23 LEU A 30 109.297 67.333 40.354 1.00 0.00 H new ATOM 479 N VAL A 31 111.328 66.210 37.582 1.00 0.00 N ATOM 480 CA VAL A 31 110.715 64.908 37.194 1.00 0.00 C ATOM 481 C VAL A 31 111.794 63.828 37.125 1.00 0.00 C ATOM 482 O VAL A 31 111.798 62.885 37.890 1.00 0.00 O ATOM 483 CB VAL A 31 110.121 65.150 35.807 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.369 63.900 35.349 1.00 0.00 C ATOM 485 CG2 VAL A 31 109.153 66.333 35.867 1.00 0.00 C ATOM 0 H VAL A 31 111.119 66.990 36.959 1.00 0.00 H new ATOM 0 HA VAL A 31 109.963 64.572 37.908 1.00 0.00 H new ATOM 0 HB VAL A 31 110.922 65.371 35.102 1.00 0.00 H new ATOM 0 HG11 VAL A 31 108.945 64.072 34.360 1.00 0.00 H new ATOM 0 HG12 VAL A 31 110.058 63.056 35.307 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.567 63.679 36.054 1.00 0.00 H new ATOM 0 HG21 VAL A 31 108.729 66.506 34.878 1.00 0.00 H new ATOM 0 HG22 VAL A 31 108.352 66.112 36.572 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.688 67.225 36.194 1.00 0.00 H new ATOM 495 N ASP A 32 112.714 63.970 36.214 1.00 0.00 N ATOM 496 CA ASP A 32 113.802 62.966 36.091 1.00 0.00 C ATOM 497 C ASP A 32 114.544 62.839 37.423 1.00 0.00 C ATOM 498 O ASP A 32 114.806 61.752 37.896 1.00 0.00 O ATOM 499 CB ASP A 32 114.720 63.525 35.005 1.00 0.00 C ATOM 500 CG ASP A 32 115.202 62.386 34.104 1.00 0.00 C ATOM 501 OD1 ASP A 32 114.407 61.506 33.818 1.00 0.00 O ATOM 502 OD2 ASP A 32 116.358 62.413 33.716 1.00 0.00 O ATOM 0 H ASP A 32 112.758 64.741 35.548 1.00 0.00 H new ATOM 0 HA ASP A 32 113.435 61.971 35.839 1.00 0.00 H new ATOM 0 HB2 ASP A 32 114.188 64.270 34.413 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.573 64.029 35.460 1.00 0.00 H new ATOM 507 N PHE A 33 114.878 63.944 38.036 1.00 0.00 N ATOM 508 CA PHE A 33 115.595 63.878 39.342 1.00 0.00 C ATOM 509 C PHE A 33 114.808 63.007 40.323 1.00 0.00 C ATOM 510 O PHE A 33 115.354 62.141 40.978 1.00 0.00 O ATOM 511 CB PHE A 33 115.657 65.323 39.842 1.00 0.00 C ATOM 512 CG PHE A 33 116.336 65.355 41.189 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.671 64.907 41.317 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.637 65.826 42.324 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.306 64.931 42.579 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.274 65.851 43.586 1.00 0.00 C ATOM 517 CZ PHE A 33 117.608 65.403 43.713 1.00 0.00 C ATOM 0 H PHE A 33 114.686 64.884 37.691 1.00 0.00 H new ATOM 0 HA PHE A 33 116.589 63.442 39.246 1.00 0.00 H new ATOM 0 HB2 PHE A 33 116.204 65.943 39.131 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.652 65.737 39.919 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.205 64.547 40.450 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.617 66.167 42.227 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.326 64.588 42.677 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.741 66.213 44.453 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.094 65.421 44.677 1.00 0.00 H new ATOM 527 N ALA A 34 113.524 63.226 40.423 1.00 0.00 N ATOM 528 CA ALA A 34 112.695 62.407 41.355 1.00 0.00 C ATOM 529 C ALA A 34 112.927 60.919 41.089 1.00 0.00 C ATOM 530 O ALA A 34 113.139 60.139 41.998 1.00 0.00 O ATOM 531 CB ALA A 34 111.249 62.794 41.041 1.00 0.00 C ATOM 0 H ALA A 34 113.013 63.937 39.899 1.00 0.00 H new ATOM 0 HA ALA A 34 112.943 62.585 42.401 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.574 62.233 41.687 1.00 0.00 H new ATOM 0 HB2 ALA A 34 111.112 63.862 41.213 1.00 0.00 H new ATOM 0 HB3 ALA A 34 111.029 62.564 39.999 1.00 0.00 H new ATOM 537 N VAL A 35 112.896 60.518 39.847 1.00 0.00 N ATOM 538 CA VAL A 35 113.121 59.088 39.518 1.00 0.00 C ATOM 539 C VAL A 35 114.532 58.673 39.940 1.00 0.00 C ATOM 540 O VAL A 35 114.727 57.668 40.592 1.00 0.00 O ATOM 541 CB VAL A 35 112.973 59.017 38.000 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.218 57.587 37.536 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.559 59.447 37.604 1.00 0.00 C ATOM 0 H VAL A 35 112.724 61.124 39.045 1.00 0.00 H new ATOM 0 HA VAL A 35 112.426 58.422 40.030 1.00 0.00 H new ATOM 0 HB VAL A 35 113.698 59.682 37.531 1.00 0.00 H new ATOM 0 HG11 VAL A 35 113.113 57.533 36.452 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.225 57.280 37.819 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.492 56.923 38.004 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.453 59.396 36.520 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.832 58.782 38.071 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.383 60.469 37.938 1.00 0.00 H new ATOM 553 N GLU A 36 115.517 59.444 39.569 1.00 0.00 N ATOM 554 CA GLU A 36 116.920 59.106 39.941 1.00 0.00 C ATOM 555 C GLU A 36 117.028 58.842 41.446 1.00 0.00 C ATOM 556 O GLU A 36 117.473 57.795 41.873 1.00 0.00 O ATOM 557 CB GLU A 36 117.734 60.342 39.556 1.00 0.00 C ATOM 558 CG GLU A 36 118.173 60.244 38.092 1.00 0.00 C ATOM 559 CD GLU A 36 116.949 60.058 37.192 1.00 0.00 C ATOM 560 OE1 GLU A 36 116.364 58.988 37.234 1.00 0.00 O ATOM 561 OE2 GLU A 36 116.618 60.989 36.475 1.00 0.00 O ATOM 0 H GLU A 36 115.410 60.298 39.021 1.00 0.00 H new ATOM 0 HA GLU A 36 117.273 58.205 39.439 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.137 61.242 39.706 1.00 0.00 H new ATOM 0 HB3 GLU A 36 118.608 60.428 40.202 1.00 0.00 H new ATOM 0 HG2 GLU A 36 118.713 61.146 37.804 1.00 0.00 H new ATOM 0 HG3 GLU A 36 118.860 59.407 37.964 1.00 0.00 H new ATOM 568 N TYR A 37 116.630 59.787 42.253 1.00 0.00 N ATOM 569 CA TYR A 37 116.716 59.594 43.731 1.00 0.00 C ATOM 570 C TYR A 37 116.018 58.296 44.144 1.00 0.00 C ATOM 571 O TYR A 37 116.636 57.382 44.650 1.00 0.00 O ATOM 572 CB TYR A 37 115.996 60.804 44.331 1.00 0.00 C ATOM 573 CG TYR A 37 115.969 60.677 45.837 1.00 0.00 C ATOM 574 CD1 TYR A 37 117.175 60.718 46.572 1.00 0.00 C ATOM 575 CD2 TYR A 37 114.737 60.517 46.511 1.00 0.00 C ATOM 576 CE1 TYR A 37 117.150 60.600 47.980 1.00 0.00 C ATOM 577 CE2 TYR A 37 114.712 60.399 47.919 1.00 0.00 C ATOM 578 CZ TYR A 37 115.917 60.439 48.653 1.00 0.00 C ATOM 579 OH TYR A 37 115.893 60.323 50.028 1.00 0.00 O ATOM 0 H TYR A 37 116.249 60.685 41.954 1.00 0.00 H new ATOM 0 HA TYR A 37 117.748 59.519 44.075 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.504 61.724 44.042 1.00 0.00 H new ATOM 0 HB3 TYR A 37 114.980 60.866 43.942 1.00 0.00 H new ATOM 0 HD1 TYR A 37 118.117 60.840 46.057 1.00 0.00 H new ATOM 0 HD2 TYR A 37 113.815 60.485 45.950 1.00 0.00 H new ATOM 0 HE1 TYR A 37 118.072 60.633 48.542 1.00 0.00 H new ATOM 0 HE2 TYR A 37 113.770 60.278 48.434 1.00 0.00 H new ATOM 0 HH TYR A 37 114.967 60.220 50.331 1.00 0.00 H new ATOM 589 N PHE A 38 114.733 58.211 43.938 1.00 0.00 N ATOM 590 CA PHE A 38 113.995 56.975 44.325 1.00 0.00 C ATOM 591 C PHE A 38 114.581 55.754 43.608 1.00 0.00 C ATOM 592 O PHE A 38 114.938 54.773 44.229 1.00 0.00 O ATOM 593 CB PHE A 38 112.553 57.222 43.886 1.00 0.00 C ATOM 594 CG PHE A 38 111.921 58.248 44.795 1.00 0.00 C ATOM 595 CD1 PHE A 38 112.013 58.103 46.197 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.237 59.356 44.243 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.422 59.063 47.048 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.646 60.316 45.095 1.00 0.00 C ATOM 599 CZ PHE A 38 110.739 60.171 46.497 1.00 0.00 C ATOM 0 H PHE A 38 114.161 58.944 43.518 1.00 0.00 H new ATOM 0 HA PHE A 38 114.065 56.771 45.393 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.530 57.571 42.854 1.00 0.00 H new ATOM 0 HB3 PHE A 38 111.986 56.291 43.920 1.00 0.00 H new ATOM 0 HD1 PHE A 38 112.536 57.257 46.619 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.166 59.468 43.171 1.00 0.00 H new ATOM 0 HE1 PHE A 38 111.492 58.950 48.120 1.00 0.00 H new ATOM 0 HE2 PHE A 38 110.123 61.162 44.674 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.289 60.906 47.147 1.00 0.00 H new ATOM 609 N THR A 39 114.686 55.805 42.307 1.00 0.00 N ATOM 610 CA THR A 39 115.252 54.641 41.560 1.00 0.00 C ATOM 611 C THR A 39 116.595 54.227 42.167 1.00 0.00 C ATOM 612 O THR A 39 116.944 53.063 42.192 1.00 0.00 O ATOM 613 CB THR A 39 115.443 55.140 40.126 1.00 0.00 C ATOM 614 OG1 THR A 39 114.182 55.495 39.578 1.00 0.00 O ATOM 615 CG2 THR A 39 116.078 54.035 39.279 1.00 0.00 C ATOM 0 H THR A 39 114.406 56.598 41.730 1.00 0.00 H new ATOM 0 HA THR A 39 114.600 53.768 41.603 1.00 0.00 H new ATOM 0 HB THR A 39 116.096 56.012 40.129 1.00 0.00 H new ATOM 0 HG1 THR A 39 113.860 56.317 40.003 1.00 0.00 H new ATOM 0 HG21 THR A 39 116.213 54.392 38.258 1.00 0.00 H new ATOM 0 HG22 THR A 39 117.046 53.765 39.700 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.427 53.161 39.275 1.00 0.00 H new ATOM 623 N ARG A 40 117.348 55.171 42.662 1.00 0.00 N ATOM 624 CA ARG A 40 118.664 54.832 43.272 1.00 0.00 C ATOM 625 C ARG A 40 118.459 54.283 44.687 1.00 0.00 C ATOM 626 O ARG A 40 119.229 53.476 45.169 1.00 0.00 O ATOM 627 CB ARG A 40 119.435 56.151 43.314 1.00 0.00 C ATOM 628 CG ARG A 40 120.841 55.905 43.865 1.00 0.00 C ATOM 629 CD ARG A 40 121.842 56.792 43.122 1.00 0.00 C ATOM 630 NE ARG A 40 122.881 55.854 42.612 1.00 0.00 N ATOM 631 CZ ARG A 40 122.720 55.268 41.456 1.00 0.00 C ATOM 632 NH1 ARG A 40 123.038 55.896 40.357 1.00 0.00 N ATOM 633 NH2 ARG A 40 122.242 54.055 41.400 1.00 0.00 N ATOM 0 H ARG A 40 117.108 56.162 42.670 1.00 0.00 H new ATOM 0 HA ARG A 40 119.199 54.069 42.707 1.00 0.00 H new ATOM 0 HB2 ARG A 40 119.495 56.581 42.314 1.00 0.00 H new ATOM 0 HB3 ARG A 40 118.909 56.872 43.940 1.00 0.00 H new ATOM 0 HG2 ARG A 40 120.868 56.123 44.933 1.00 0.00 H new ATOM 0 HG3 ARG A 40 121.111 54.856 43.747 1.00 0.00 H new ATOM 0 HD2 ARG A 40 121.362 57.331 42.306 1.00 0.00 H new ATOM 0 HD3 ARG A 40 122.276 57.539 43.786 1.00 0.00 H new ATOM 0 HE ARG A 40 123.718 55.670 43.165 1.00 0.00 H new ATOM 0 HH11 ARG A 40 123.412 56.844 40.401 1.00 0.00 H new ATOM 0 HH12 ARG A 40 122.913 55.439 39.454 1.00 0.00 H new ATOM 0 HH21 ARG A 40 121.994 53.564 42.259 1.00 0.00 H new ATOM 0 HH22 ARG A 40 122.116 53.598 40.497 1.00 0.00 H new ATOM 647 N LEU A 41 117.423 54.715 45.354 1.00 0.00 N ATOM 648 CA LEU A 41 117.166 54.217 46.735 1.00 0.00 C ATOM 649 C LEU A 41 117.035 52.692 46.728 1.00 0.00 C ATOM 650 O LEU A 41 117.438 52.020 47.658 1.00 0.00 O ATOM 651 CB LEU A 41 115.844 54.867 47.152 1.00 0.00 C ATOM 652 CG LEU A 41 116.022 55.569 48.498 1.00 0.00 C ATOM 653 CD1 LEU A 41 116.970 56.758 48.333 1.00 0.00 C ATOM 654 CD2 LEU A 41 114.664 56.067 48.995 1.00 0.00 C ATOM 0 H LEU A 41 116.744 55.391 45.002 1.00 0.00 H new ATOM 0 HA LEU A 41 117.975 54.465 47.422 1.00 0.00 H new ATOM 0 HB2 LEU A 41 115.525 55.584 46.396 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.062 54.111 47.225 1.00 0.00 H new ATOM 0 HG LEU A 41 116.441 54.868 49.220 1.00 0.00 H new ATOM 0 HD11 LEU A 41 117.097 57.258 49.293 1.00 0.00 H new ATOM 0 HD12 LEU A 41 117.938 56.405 47.977 1.00 0.00 H new ATOM 0 HD13 LEU A 41 116.552 57.459 47.611 1.00 0.00 H new ATOM 0 HD21 LEU A 41 114.789 56.568 49.955 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.246 56.768 48.272 1.00 0.00 H new ATOM 0 HD23 LEU A 41 113.987 55.221 49.113 1.00 0.00 H new ATOM 666 N ARG A 42 116.478 52.140 45.685 1.00 0.00 N ATOM 667 CA ARG A 42 116.324 50.659 45.618 1.00 0.00 C ATOM 668 C ARG A 42 117.695 49.982 45.693 1.00 0.00 C ATOM 669 O ARG A 42 117.833 48.888 46.205 1.00 0.00 O ATOM 670 CB ARG A 42 115.667 50.388 44.264 1.00 0.00 C ATOM 671 CG ARG A 42 114.343 51.148 44.176 1.00 0.00 C ATOM 672 CD ARG A 42 113.188 50.153 44.045 1.00 0.00 C ATOM 673 NE ARG A 42 113.364 49.532 42.703 1.00 0.00 N ATOM 674 CZ ARG A 42 113.805 48.308 42.603 1.00 0.00 C ATOM 675 NH1 ARG A 42 113.064 47.313 43.009 1.00 0.00 N ATOM 676 NH2 ARG A 42 114.985 48.079 42.098 1.00 0.00 N ATOM 0 H ARG A 42 116.123 52.650 44.876 1.00 0.00 H new ATOM 0 HA ARG A 42 115.730 50.268 46.444 1.00 0.00 H new ATOM 0 HB2 ARG A 42 116.331 50.699 43.457 1.00 0.00 H new ATOM 0 HB3 ARG A 42 115.493 49.319 44.140 1.00 0.00 H new ATOM 0 HG2 ARG A 42 114.206 51.765 45.064 1.00 0.00 H new ATOM 0 HG3 ARG A 42 114.355 51.822 43.319 1.00 0.00 H new ATOM 0 HD2 ARG A 42 113.222 49.402 44.835 1.00 0.00 H new ATOM 0 HD3 ARG A 42 112.224 50.655 44.124 1.00 0.00 H new ATOM 0 HE ARG A 42 113.140 50.064 41.862 1.00 0.00 H new ATOM 0 HH11 ARG A 42 112.141 47.493 43.404 1.00 0.00 H new ATOM 0 HH12 ARG A 42 113.408 46.356 42.931 1.00 0.00 H new ATOM 0 HH21 ARG A 42 115.564 48.857 41.781 1.00 0.00 H new ATOM 0 HH22 ARG A 42 115.329 47.122 42.020 1.00 0.00 H new ATOM 690 N GLU A 43 118.712 50.624 45.184 1.00 0.00 N ATOM 691 CA GLU A 43 120.073 50.016 45.225 1.00 0.00 C ATOM 692 C GLU A 43 120.886 50.617 46.374 1.00 0.00 C ATOM 693 O GLU A 43 121.733 49.968 46.953 1.00 0.00 O ATOM 694 CB GLU A 43 120.703 50.369 43.877 1.00 0.00 C ATOM 695 CG GLU A 43 120.394 49.265 42.865 1.00 0.00 C ATOM 696 CD GLU A 43 121.303 49.419 41.645 1.00 0.00 C ATOM 697 OE1 GLU A 43 122.428 48.953 41.706 1.00 0.00 O ATOM 698 OE2 GLU A 43 120.858 50.004 40.671 1.00 0.00 O ATOM 0 H GLU A 43 118.659 51.542 44.742 1.00 0.00 H new ATOM 0 HA GLU A 43 120.041 48.939 45.390 1.00 0.00 H new ATOM 0 HB2 GLU A 43 120.314 51.323 43.521 1.00 0.00 H new ATOM 0 HB3 GLU A 43 121.781 50.485 43.987 1.00 0.00 H new ATOM 0 HG2 GLU A 43 120.544 48.287 43.322 1.00 0.00 H new ATOM 0 HG3 GLU A 43 119.349 49.318 42.561 1.00 0.00 H new ATOM 705 N ALA A 44 120.636 51.853 46.707 1.00 0.00 N ATOM 706 CA ALA A 44 121.397 52.493 47.820 1.00 0.00 C ATOM 707 C ALA A 44 121.163 51.735 49.125 1.00 0.00 C ATOM 708 O ALA A 44 121.998 50.978 49.576 1.00 0.00 O ATOM 709 CB ALA A 44 120.827 53.906 47.936 1.00 0.00 C ATOM 0 H ALA A 44 119.939 52.448 46.258 1.00 0.00 H new ATOM 0 HA ALA A 44 122.470 52.493 47.629 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.339 54.440 48.737 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.973 54.436 46.995 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.762 53.851 48.160 1.00 0.00 H new ATOM 715 N ARG A 45 120.027 51.944 49.730 1.00 0.00 N ATOM 716 CA ARG A 45 119.704 51.258 51.009 1.00 0.00 C ATOM 717 C ARG A 45 120.864 51.385 52.009 1.00 0.00 C ATOM 718 O ARG A 45 120.928 52.327 52.775 1.00 0.00 O ATOM 719 CB ARG A 45 119.456 49.800 50.627 1.00 0.00 C ATOM 720 CG ARG A 45 117.951 49.556 50.497 1.00 0.00 C ATOM 721 CD ARG A 45 117.327 49.469 51.891 1.00 0.00 C ATOM 722 NE ARG A 45 117.229 48.012 52.176 1.00 0.00 N ATOM 723 CZ ARG A 45 116.076 47.482 52.481 1.00 0.00 C ATOM 724 NH1 ARG A 45 115.270 48.102 53.298 1.00 0.00 N ATOM 725 NH2 ARG A 45 115.729 46.334 51.966 1.00 0.00 N ATOM 0 H ARG A 45 119.299 52.570 49.386 1.00 0.00 H new ATOM 0 HA ARG A 45 118.837 51.698 51.501 1.00 0.00 H new ATOM 0 HB2 ARG A 45 119.955 49.569 49.686 1.00 0.00 H new ATOM 0 HB3 ARG A 45 119.879 49.138 51.383 1.00 0.00 H new ATOM 0 HG2 ARG A 45 117.488 50.363 49.929 1.00 0.00 H new ATOM 0 HG3 ARG A 45 117.767 48.633 49.946 1.00 0.00 H new ATOM 0 HD2 ARG A 45 117.944 49.976 52.633 1.00 0.00 H new ATOM 0 HD3 ARG A 45 116.346 49.943 51.915 1.00 0.00 H new ATOM 0 HE ARG A 45 118.063 47.427 52.133 1.00 0.00 H new ATOM 0 HH11 ARG A 45 115.541 49.000 53.698 1.00 0.00 H new ATOM 0 HH12 ARG A 45 114.369 47.688 53.537 1.00 0.00 H new ATOM 0 HH21 ARG A 45 116.359 45.851 51.325 1.00 0.00 H new ATOM 0 HH22 ARG A 45 114.828 45.920 52.204 1.00 0.00 H new ATOM 739 N ARG A 46 121.782 50.452 52.014 1.00 0.00 N ATOM 740 CA ARG A 46 122.924 50.535 52.972 1.00 0.00 C ATOM 741 C ARG A 46 122.403 50.666 54.406 1.00 0.00 C ATOM 742 O ARG A 46 121.324 50.162 54.672 1.00 0.00 O ATOM 743 CB ARG A 46 123.697 51.792 52.565 1.00 0.00 C ATOM 744 CG ARG A 46 125.101 51.403 52.096 1.00 0.00 C ATOM 745 CD ARG A 46 125.341 51.957 50.690 1.00 0.00 C ATOM 746 NE ARG A 46 126.752 52.437 50.703 1.00 0.00 N ATOM 747 CZ ARG A 46 127.019 53.681 50.415 1.00 0.00 C ATOM 748 NH1 ARG A 46 127.172 54.043 49.170 1.00 0.00 N ATOM 749 NH2 ARG A 46 127.133 54.561 51.370 1.00 0.00 N ATOM 750 OXT ARG A 46 123.093 51.267 55.213 1.00 0.00 O ATOM 0 H ARG A 46 121.790 49.639 51.398 1.00 0.00 H new ATOM 0 HA ARG A 46 123.552 49.645 52.942 1.00 0.00 H new ATOM 0 HB2 ARG A 46 123.168 52.314 51.768 1.00 0.00 H new ATOM 0 HB3 ARG A 46 123.762 52.480 53.408 1.00 0.00 H new ATOM 0 HG2 ARG A 46 125.848 51.796 52.786 1.00 0.00 H new ATOM 0 HG3 ARG A 46 125.208 50.318 52.094 1.00 0.00 H new ATOM 0 HD2 ARG A 46 125.192 51.188 49.932 1.00 0.00 H new ATOM 0 HD3 ARG A 46 124.650 52.768 50.462 1.00 0.00 H new ATOM 0 HE ARG A 46 127.508 51.793 50.937 1.00 0.00 H new ATOM 0 HH11 ARG A 46 127.083 53.353 48.424 1.00 0.00 H new ATOM 0 HH12 ARG A 46 127.381 55.015 48.944 1.00 0.00 H new ATOM 0 HH21 ARG A 46 127.013 54.277 52.342 1.00 0.00 H new ATOM 0 HH22 ARG A 46 127.342 55.534 51.145 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 114.759 91.658 60.893 1.00 0.00 N ATOM 766 CA HIS B 1 114.791 90.258 60.378 1.00 0.00 C ATOM 767 C HIS B 1 114.467 90.238 58.882 1.00 0.00 C ATOM 768 O HIS B 1 115.300 89.908 58.061 1.00 0.00 O ATOM 769 CB HIS B 1 113.710 89.521 61.170 1.00 0.00 C ATOM 770 CG HIS B 1 114.352 88.503 62.071 1.00 0.00 C ATOM 771 ND1 HIS B 1 113.826 87.233 62.244 1.00 0.00 N ATOM 772 CD2 HIS B 1 115.478 88.553 62.855 1.00 0.00 C ATOM 773 CE1 HIS B 1 114.627 86.576 63.104 1.00 0.00 C ATOM 774 NE2 HIS B 1 115.650 87.335 63.506 1.00 0.00 N ATOM 0 H1 HIS B 1 114.980 91.659 61.909 1.00 0.00 H new ATOM 0 H2 HIS B 1 115.462 92.231 60.385 1.00 0.00 H new ATOM 0 H3 HIS B 1 113.812 92.061 60.745 1.00 0.00 H new ATOM 0 HA HIS B 1 115.771 89.796 60.497 1.00 0.00 H new ATOM 0 HB2 HIS B 1 113.130 90.230 61.761 1.00 0.00 H new ATOM 0 HB3 HIS B 1 113.015 89.031 60.488 1.00 0.00 H new ATOM 0 HD2 HIS B 1 116.131 89.408 62.952 1.00 0.00 H new ATOM 0 HE1 HIS B 1 114.462 85.559 63.429 1.00 0.00 H new ATOM 0 HE2 HIS B 1 116.397 87.077 64.151 1.00 0.00 H new ATOM 784 N MET B 2 113.263 90.587 58.521 1.00 0.00 N ATOM 785 CA MET B 2 112.888 90.587 57.077 1.00 0.00 C ATOM 786 C MET B 2 113.204 89.228 56.447 1.00 0.00 C ATOM 787 O MET B 2 114.177 89.074 55.737 1.00 0.00 O ATOM 788 CB MET B 2 113.745 91.683 56.444 1.00 0.00 C ATOM 789 CG MET B 2 113.236 91.977 55.031 1.00 0.00 C ATOM 790 SD MET B 2 114.162 93.368 54.335 1.00 0.00 S ATOM 791 CE MET B 2 113.077 93.677 52.919 1.00 0.00 C ATOM 0 H MET B 2 112.523 90.872 59.162 1.00 0.00 H new ATOM 0 HA MET B 2 111.823 90.765 56.928 1.00 0.00 H new ATOM 0 HB2 MET B 2 113.705 92.587 57.052 1.00 0.00 H new ATOM 0 HB3 MET B 2 114.788 91.369 56.408 1.00 0.00 H new ATOM 0 HG2 MET B 2 113.353 91.096 54.400 1.00 0.00 H new ATOM 0 HG3 MET B 2 112.172 92.211 55.057 1.00 0.00 H new ATOM 0 HE1 MET B 2 113.467 94.513 52.338 1.00 0.00 H new ATOM 0 HE2 MET B 2 113.035 92.787 52.291 1.00 0.00 H new ATOM 0 HE3 MET B 2 112.075 93.918 53.274 1.00 0.00 H new ATOM 801 N GLY B 3 112.390 88.241 56.703 1.00 0.00 N ATOM 802 CA GLY B 3 112.644 86.893 56.118 1.00 0.00 C ATOM 803 C GLY B 3 111.565 85.918 56.592 1.00 0.00 C ATOM 804 O GLY B 3 111.559 85.489 57.729 1.00 0.00 O ATOM 0 H GLY B 3 111.560 88.309 57.292 1.00 0.00 H new ATOM 0 HA2 GLY B 3 112.643 86.951 55.030 1.00 0.00 H new ATOM 0 HA3 GLY B 3 113.629 86.535 56.417 1.00 0.00 H new ATOM 808 N HIS B 4 110.650 85.566 55.731 1.00 0.00 N ATOM 809 CA HIS B 4 109.571 84.619 56.136 1.00 0.00 C ATOM 810 C HIS B 4 109.481 83.459 55.143 1.00 0.00 C ATOM 811 O HIS B 4 109.821 82.334 55.454 1.00 0.00 O ATOM 812 CB HIS B 4 108.287 85.449 56.108 1.00 0.00 C ATOM 813 CG HIS B 4 108.058 86.063 57.462 1.00 0.00 C ATOM 814 ND1 HIS B 4 106.956 85.744 58.241 1.00 0.00 N ATOM 815 CD2 HIS B 4 108.777 86.979 58.189 1.00 0.00 C ATOM 816 CE1 HIS B 4 107.044 86.457 59.380 1.00 0.00 C ATOM 817 NE2 HIS B 4 108.136 87.227 59.398 1.00 0.00 N ATOM 0 H HIS B 4 110.602 85.892 54.766 1.00 0.00 H new ATOM 0 HA HIS B 4 109.754 84.181 57.117 1.00 0.00 H new ATOM 0 HB2 HIS B 4 108.362 86.229 55.351 1.00 0.00 H new ATOM 0 HB3 HIS B 4 107.440 84.820 55.834 1.00 0.00 H new ATOM 0 HD2 HIS B 4 109.701 87.438 57.870 1.00 0.00 H new ATOM 0 HE1 HIS B 4 106.321 86.412 60.181 1.00 0.00 H new ATOM 0 HE2 HIS B 4 108.435 87.861 60.139 1.00 0.00 H new ATOM 825 N ILE B 5 109.021 83.721 53.952 1.00 0.00 N ATOM 826 CA ILE B 5 108.906 82.632 52.939 1.00 0.00 C ATOM 827 C ILE B 5 109.896 82.862 51.795 1.00 0.00 C ATOM 828 O ILE B 5 110.132 83.979 51.379 1.00 0.00 O ATOM 829 CB ILE B 5 107.467 82.714 52.429 1.00 0.00 C ATOM 830 CG1 ILE B 5 107.234 81.618 51.386 1.00 0.00 C ATOM 831 CG2 ILE B 5 107.228 84.083 51.790 1.00 0.00 C ATOM 832 CD1 ILE B 5 106.763 80.341 52.084 1.00 0.00 C ATOM 0 H ILE B 5 108.719 84.642 53.635 1.00 0.00 H new ATOM 0 HA ILE B 5 109.134 81.653 53.361 1.00 0.00 H new ATOM 0 HB ILE B 5 106.778 82.577 53.263 1.00 0.00 H new ATOM 0 HG12 ILE B 5 106.489 81.944 50.660 1.00 0.00 H new ATOM 0 HG13 ILE B 5 108.154 81.425 50.834 1.00 0.00 H new ATOM 0 HG21 ILE B 5 106.202 84.141 51.427 1.00 0.00 H new ATOM 0 HG22 ILE B 5 107.395 84.865 52.531 1.00 0.00 H new ATOM 0 HG23 ILE B 5 107.916 84.221 50.956 1.00 0.00 H new ATOM 0 HD11 ILE B 5 106.597 79.561 51.341 1.00 0.00 H new ATOM 0 HD12 ILE B 5 107.523 80.012 52.793 1.00 0.00 H new ATOM 0 HD13 ILE B 5 105.833 80.539 52.616 1.00 0.00 H new ATOM 844 N GLN B 6 110.476 81.811 51.281 1.00 0.00 N ATOM 845 CA GLN B 6 111.450 81.967 50.162 1.00 0.00 C ATOM 846 C GLN B 6 111.750 80.605 49.531 1.00 0.00 C ATOM 847 O GLN B 6 112.876 80.148 49.526 1.00 0.00 O ATOM 848 CB GLN B 6 112.709 82.545 50.810 1.00 0.00 C ATOM 849 CG GLN B 6 113.210 81.589 51.894 1.00 0.00 C ATOM 850 CD GLN B 6 113.969 82.379 52.962 1.00 0.00 C ATOM 851 OE1 GLN B 6 113.717 83.551 53.161 1.00 0.00 O ATOM 852 NE2 GLN B 6 114.895 81.782 53.663 1.00 0.00 N ATOM 0 H GLN B 6 110.318 80.851 51.587 1.00 0.00 H new ATOM 0 HA GLN B 6 111.068 82.609 49.368 1.00 0.00 H new ATOM 0 HB2 GLN B 6 113.482 82.695 50.057 1.00 0.00 H new ATOM 0 HB3 GLN B 6 112.492 83.521 51.243 1.00 0.00 H new ATOM 0 HG2 GLN B 6 112.369 81.062 52.345 1.00 0.00 H new ATOM 0 HG3 GLN B 6 113.861 80.833 51.454 1.00 0.00 H new ATOM 0 HE21 GLN B 6 115.106 80.798 53.496 1.00 0.00 H new ATOM 0 HE22 GLN B 6 115.407 82.299 54.378 1.00 0.00 H new ATOM 861 N ILE B 7 110.752 79.952 49.002 1.00 0.00 N ATOM 862 CA ILE B 7 110.984 78.618 48.376 1.00 0.00 C ATOM 863 C ILE B 7 110.429 78.598 46.943 1.00 0.00 C ATOM 864 O ILE B 7 109.570 79.386 46.603 1.00 0.00 O ATOM 865 CB ILE B 7 110.243 77.617 49.271 1.00 0.00 C ATOM 866 CG1 ILE B 7 108.734 77.854 49.178 1.00 0.00 C ATOM 867 CG2 ILE B 7 110.695 77.789 50.723 1.00 0.00 C ATOM 868 CD1 ILE B 7 108.179 77.076 47.985 1.00 0.00 C ATOM 0 H ILE B 7 109.788 80.283 48.976 1.00 0.00 H new ATOM 0 HA ILE B 7 112.044 78.376 48.301 1.00 0.00 H new ATOM 0 HB ILE B 7 110.471 76.605 48.936 1.00 0.00 H new ATOM 0 HG12 ILE B 7 108.245 77.532 50.097 1.00 0.00 H new ATOM 0 HG13 ILE B 7 108.527 78.918 49.063 1.00 0.00 H new ATOM 0 HG21 ILE B 7 110.166 77.076 51.356 1.00 0.00 H new ATOM 0 HG22 ILE B 7 111.768 77.611 50.794 1.00 0.00 H new ATOM 0 HG23 ILE B 7 110.473 78.803 51.055 1.00 0.00 H new ATOM 0 HD11 ILE B 7 107.104 77.240 47.912 1.00 0.00 H new ATOM 0 HD12 ILE B 7 108.661 77.420 47.070 1.00 0.00 H new ATOM 0 HD13 ILE B 7 108.375 76.013 48.121 1.00 0.00 H new ATOM 880 N PRO B 8 110.942 77.691 46.148 1.00 0.00 N ATOM 881 CA PRO B 8 110.487 77.572 44.739 1.00 0.00 C ATOM 882 C PRO B 8 109.075 76.971 44.678 1.00 0.00 C ATOM 883 O PRO B 8 108.876 75.835 45.063 1.00 0.00 O ATOM 884 CB PRO B 8 111.503 76.624 44.111 1.00 0.00 C ATOM 885 CG PRO B 8 112.039 75.825 45.253 1.00 0.00 C ATOM 886 CD PRO B 8 111.979 76.703 46.473 1.00 0.00 C ATOM 0 HA PRO B 8 110.432 78.533 44.227 1.00 0.00 H new ATOM 0 HB2 PRO B 8 111.036 75.982 43.364 1.00 0.00 H new ATOM 0 HB3 PRO B 8 112.297 77.174 43.606 1.00 0.00 H new ATOM 0 HG2 PRO B 8 111.450 74.920 45.400 1.00 0.00 H new ATOM 0 HG3 PRO B 8 113.063 75.510 45.055 1.00 0.00 H new ATOM 0 HD2 PRO B 8 111.720 76.131 47.364 1.00 0.00 H new ATOM 0 HD3 PRO B 8 112.939 77.181 46.668 1.00 0.00 H new ATOM 894 N PRO B 9 108.133 77.747 44.194 1.00 0.00 N ATOM 895 CA PRO B 9 106.736 77.259 44.091 1.00 0.00 C ATOM 896 C PRO B 9 106.608 76.241 42.954 1.00 0.00 C ATOM 897 O PRO B 9 107.338 76.285 41.985 1.00 0.00 O ATOM 898 CB PRO B 9 105.934 78.521 43.784 1.00 0.00 C ATOM 899 CG PRO B 9 106.911 79.453 43.143 1.00 0.00 C ATOM 900 CD PRO B 9 108.271 79.126 43.703 1.00 0.00 C ATOM 0 HA PRO B 9 106.393 76.752 44.993 1.00 0.00 H new ATOM 0 HB2 PRO B 9 105.099 78.306 43.118 1.00 0.00 H new ATOM 0 HB3 PRO B 9 105.514 78.953 44.693 1.00 0.00 H new ATOM 0 HG2 PRO B 9 106.902 79.334 42.060 1.00 0.00 H new ATOM 0 HG3 PRO B 9 106.648 80.490 43.352 1.00 0.00 H new ATOM 0 HD2 PRO B 9 109.045 79.202 42.940 1.00 0.00 H new ATOM 0 HD3 PRO B 9 108.547 79.810 44.506 1.00 0.00 H new ATOM 908 N GLY B 10 105.684 75.327 43.065 1.00 0.00 N ATOM 909 CA GLY B 10 105.510 74.307 41.991 1.00 0.00 C ATOM 910 C GLY B 10 105.697 72.908 42.578 1.00 0.00 C ATOM 911 O GLY B 10 105.086 71.954 42.139 1.00 0.00 O ATOM 0 H GLY B 10 105.042 75.242 43.853 1.00 0.00 H new ATOM 0 HA2 GLY B 10 104.518 74.397 41.547 1.00 0.00 H new ATOM 0 HA3 GLY B 10 106.233 74.477 41.193 1.00 0.00 H new ATOM 915 N LEU B 11 106.535 72.777 43.569 1.00 0.00 N ATOM 916 CA LEU B 11 106.759 71.436 44.183 1.00 0.00 C ATOM 917 C LEU B 11 105.563 71.048 45.055 1.00 0.00 C ATOM 918 O LEU B 11 105.279 69.882 45.253 1.00 0.00 O ATOM 919 CB LEU B 11 108.016 71.597 45.038 1.00 0.00 C ATOM 920 CG LEU B 11 109.253 71.296 44.191 1.00 0.00 C ATOM 921 CD1 LEU B 11 109.893 72.610 43.736 1.00 0.00 C ATOM 922 CD2 LEU B 11 110.259 70.499 45.023 1.00 0.00 C ATOM 0 H LEU B 11 107.074 73.539 43.980 1.00 0.00 H new ATOM 0 HA LEU B 11 106.873 70.652 43.434 1.00 0.00 H new ATOM 0 HB2 LEU B 11 108.072 72.611 45.434 1.00 0.00 H new ATOM 0 HB3 LEU B 11 107.975 70.923 45.893 1.00 0.00 H new ATOM 0 HG LEU B 11 108.962 70.713 43.317 1.00 0.00 H new ATOM 0 HD11 LEU B 11 110.775 72.395 43.132 1.00 0.00 H new ATOM 0 HD12 LEU B 11 109.176 73.177 43.142 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.184 73.194 44.609 1.00 0.00 H new ATOM 0 HD21 LEU B 11 111.141 70.284 44.420 1.00 0.00 H new ATOM 0 HD22 LEU B 11 110.550 71.081 45.897 1.00 0.00 H new ATOM 0 HD23 LEU B 11 109.803 69.563 45.346 1.00 0.00 H new ATOM 934 N THR B 12 104.859 72.014 45.579 1.00 0.00 N ATOM 935 CA THR B 12 103.682 71.701 46.439 1.00 0.00 C ATOM 936 C THR B 12 102.681 70.834 45.671 1.00 0.00 C ATOM 937 O THR B 12 102.395 69.715 46.049 1.00 0.00 O ATOM 938 CB THR B 12 103.068 73.058 46.779 1.00 0.00 C ATOM 939 OG1 THR B 12 104.029 73.855 47.458 1.00 0.00 O ATOM 940 CG2 THR B 12 101.843 72.858 47.673 1.00 0.00 C ATOM 0 H THR B 12 105.048 73.008 45.449 1.00 0.00 H new ATOM 0 HA THR B 12 103.961 71.145 47.334 1.00 0.00 H new ATOM 0 HB THR B 12 102.765 73.559 45.860 1.00 0.00 H new ATOM 0 HG1 THR B 12 103.637 74.726 47.675 1.00 0.00 H new ATOM 0 HG21 THR B 12 101.407 73.827 47.914 1.00 0.00 H new ATOM 0 HG22 THR B 12 101.106 72.248 47.150 1.00 0.00 H new ATOM 0 HG23 THR B 12 102.142 72.356 48.593 1.00 0.00 H new ATOM 948 N GLU B 13 102.147 71.345 44.597 1.00 0.00 N ATOM 949 CA GLU B 13 101.162 70.556 43.799 1.00 0.00 C ATOM 950 C GLU B 13 101.715 69.162 43.494 1.00 0.00 C ATOM 951 O GLU B 13 101.049 68.163 43.682 1.00 0.00 O ATOM 952 CB GLU B 13 100.975 71.352 42.507 1.00 0.00 C ATOM 953 CG GLU B 13 99.620 72.062 42.533 1.00 0.00 C ATOM 954 CD GLU B 13 99.666 73.213 43.541 1.00 0.00 C ATOM 955 OE1 GLU B 13 100.193 74.256 43.194 1.00 0.00 O ATOM 956 OE2 GLU B 13 99.171 73.030 44.641 1.00 0.00 O ATOM 0 H GLU B 13 102.349 72.277 44.235 1.00 0.00 H new ATOM 0 HA GLU B 13 100.222 70.412 44.332 1.00 0.00 H new ATOM 0 HB2 GLU B 13 101.777 72.082 42.398 1.00 0.00 H new ATOM 0 HB3 GLU B 13 101.031 70.686 41.646 1.00 0.00 H new ATOM 0 HG2 GLU B 13 99.378 72.443 41.541 1.00 0.00 H new ATOM 0 HG3 GLU B 13 98.834 71.358 42.805 1.00 0.00 H new ATOM 963 N LEU B 14 102.931 69.087 43.025 1.00 0.00 N ATOM 964 CA LEU B 14 103.528 67.757 42.709 1.00 0.00 C ATOM 965 C LEU B 14 103.478 66.850 43.942 1.00 0.00 C ATOM 966 O LEU B 14 102.907 65.777 43.915 1.00 0.00 O ATOM 967 CB LEU B 14 104.977 68.055 42.322 1.00 0.00 C ATOM 968 CG LEU B 14 105.232 67.589 40.888 1.00 0.00 C ATOM 969 CD1 LEU B 14 104.592 68.574 39.910 1.00 0.00 C ATOM 970 CD2 LEU B 14 106.740 67.527 40.637 1.00 0.00 C ATOM 0 H LEU B 14 103.537 69.888 42.847 1.00 0.00 H new ATOM 0 HA LEU B 14 102.991 67.242 41.913 1.00 0.00 H new ATOM 0 HB2 LEU B 14 105.175 69.123 42.408 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.658 67.549 43.006 1.00 0.00 H new ATOM 0 HG LEU B 14 104.797 66.600 40.742 1.00 0.00 H new ATOM 0 HD11 LEU B 14 104.774 68.242 38.888 1.00 0.00 H new ATOM 0 HD12 LEU B 14 103.518 68.620 40.091 1.00 0.00 H new ATOM 0 HD13 LEU B 14 105.027 69.563 40.053 1.00 0.00 H new ATOM 0 HD21 LEU B 14 106.925 67.195 39.615 1.00 0.00 H new ATOM 0 HD22 LEU B 14 107.174 68.516 40.781 1.00 0.00 H new ATOM 0 HD23 LEU B 14 107.196 66.825 41.335 1.00 0.00 H new ATOM 982 N LEU B 15 104.073 67.275 45.024 1.00 0.00 N ATOM 983 CA LEU B 15 104.061 66.439 46.257 1.00 0.00 C ATOM 984 C LEU B 15 102.622 66.201 46.724 1.00 0.00 C ATOM 985 O LEU B 15 102.275 65.127 47.175 1.00 0.00 O ATOM 986 CB LEU B 15 104.840 67.248 47.294 1.00 0.00 C ATOM 987 CG LEU B 15 106.278 67.452 46.810 1.00 0.00 C ATOM 988 CD1 LEU B 15 107.067 68.227 47.866 1.00 0.00 C ATOM 989 CD2 LEU B 15 106.940 66.089 46.582 1.00 0.00 C ATOM 0 H LEU B 15 104.566 68.164 45.107 1.00 0.00 H new ATOM 0 HA LEU B 15 104.504 65.457 46.093 1.00 0.00 H new ATOM 0 HB2 LEU B 15 104.359 68.213 47.454 1.00 0.00 H new ATOM 0 HB3 LEU B 15 104.838 66.728 48.252 1.00 0.00 H new ATOM 0 HG LEU B 15 106.269 68.014 45.876 1.00 0.00 H new ATOM 0 HD11 LEU B 15 108.091 68.372 47.521 1.00 0.00 H new ATOM 0 HD12 LEU B 15 106.599 69.197 48.031 1.00 0.00 H new ATOM 0 HD13 LEU B 15 107.075 67.665 48.800 1.00 0.00 H new ATOM 0 HD21 LEU B 15 107.964 66.235 46.237 1.00 0.00 H new ATOM 0 HD22 LEU B 15 106.948 65.528 47.516 1.00 0.00 H new ATOM 0 HD23 LEU B 15 106.380 65.534 45.830 1.00 0.00 H new ATOM 1001 N GLN B 16 101.776 67.192 46.615 1.00 0.00 N ATOM 1002 CA GLN B 16 100.360 67.011 47.049 1.00 0.00 C ATOM 1003 C GLN B 16 99.755 65.794 46.346 1.00 0.00 C ATOM 1004 O GLN B 16 99.069 64.993 46.951 1.00 0.00 O ATOM 1005 CB GLN B 16 99.641 68.293 46.624 1.00 0.00 C ATOM 1006 CG GLN B 16 99.048 68.978 47.857 1.00 0.00 C ATOM 1007 CD GLN B 16 97.787 69.745 47.458 1.00 0.00 C ATOM 1008 OE1 GLN B 16 97.153 69.426 46.471 1.00 0.00 O ATOM 1009 NE2 GLN B 16 97.390 70.750 48.190 1.00 0.00 N ATOM 0 H GLN B 16 102.004 68.115 46.246 1.00 0.00 H new ATOM 0 HA GLN B 16 100.273 66.840 48.122 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.338 68.964 46.122 1.00 0.00 H new ATOM 0 HB3 GLN B 16 98.852 68.060 45.909 1.00 0.00 H new ATOM 0 HG2 GLN B 16 98.809 68.236 48.619 1.00 0.00 H new ATOM 0 HG3 GLN B 16 99.778 69.660 48.294 1.00 0.00 H new ATOM 0 HE21 GLN B 16 97.921 71.019 49.018 1.00 0.00 H new ATOM 0 HE22 GLN B 16 96.549 71.267 47.934 1.00 0.00 H new ATOM 1018 N GLY B 17 100.012 65.641 45.075 1.00 0.00 N ATOM 1019 CA GLY B 17 99.461 64.469 44.340 1.00 0.00 C ATOM 1020 C GLY B 17 99.915 63.189 45.041 1.00 0.00 C ATOM 1021 O GLY B 17 99.111 62.372 45.442 1.00 0.00 O ATOM 0 H GLY B 17 100.580 66.277 44.515 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.372 64.518 44.313 1.00 0.00 H new ATOM 0 HA3 GLY B 17 99.806 64.476 43.306 1.00 0.00 H new ATOM 1025 N TYR B 18 101.202 63.017 45.200 1.00 0.00 N ATOM 1026 CA TYR B 18 101.725 61.799 45.886 1.00 0.00 C ATOM 1027 C TYR B 18 100.951 61.543 47.184 1.00 0.00 C ATOM 1028 O TYR B 18 100.548 60.434 47.472 1.00 0.00 O ATOM 1029 CB TYR B 18 103.183 62.132 46.198 1.00 0.00 C ATOM 1030 CG TYR B 18 104.014 60.879 46.114 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.921 60.052 44.976 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.884 60.535 47.171 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.699 58.875 44.892 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.662 59.360 47.090 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.570 58.528 45.950 1.00 0.00 C ATOM 1036 OH TYR B 18 106.329 57.379 45.870 1.00 0.00 O ATOM 0 H TYR B 18 101.916 63.672 44.882 1.00 0.00 H new ATOM 0 HA TYR B 18 101.623 60.903 45.274 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.556 62.876 45.494 1.00 0.00 H new ATOM 0 HB3 TYR B 18 103.262 62.568 47.194 1.00 0.00 H new ATOM 0 HD1 TYR B 18 103.255 60.318 44.168 1.00 0.00 H new ATOM 0 HD2 TYR B 18 104.954 61.171 48.041 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.628 58.241 44.020 1.00 0.00 H new ATOM 0 HE2 TYR B 18 106.328 59.096 47.899 1.00 0.00 H new ATOM 0 HH TYR B 18 105.791 56.658 45.480 1.00 0.00 H new ATOM 1046 N THR B 19 100.742 62.567 47.962 1.00 0.00 N ATOM 1047 CA THR B 19 99.993 62.399 49.238 1.00 0.00 C ATOM 1048 C THR B 19 98.571 61.904 48.949 1.00 0.00 C ATOM 1049 O THR B 19 97.990 61.168 49.722 1.00 0.00 O ATOM 1050 CB THR B 19 99.967 63.801 49.854 1.00 0.00 C ATOM 1051 OG1 THR B 19 101.287 64.178 50.220 1.00 0.00 O ATOM 1052 CG2 THR B 19 99.072 63.812 51.095 1.00 0.00 C ATOM 0 H THR B 19 101.059 63.517 47.769 1.00 0.00 H new ATOM 0 HA THR B 19 100.451 61.668 49.905 1.00 0.00 H new ATOM 0 HB THR B 19 99.571 64.506 49.123 1.00 0.00 H new ATOM 0 HG1 THR B 19 101.772 64.484 49.425 1.00 0.00 H new ATOM 0 HG21 THR B 19 99.060 64.813 51.526 1.00 0.00 H new ATOM 0 HG22 THR B 19 98.058 63.525 50.815 1.00 0.00 H new ATOM 0 HG23 THR B 19 99.459 63.106 51.829 1.00 0.00 H new ATOM 1060 N VAL B 20 98.009 62.304 47.842 1.00 0.00 N ATOM 1061 CA VAL B 20 96.627 61.862 47.500 1.00 0.00 C ATOM 1062 C VAL B 20 96.650 60.475 46.851 1.00 0.00 C ATOM 1063 O VAL B 20 95.697 59.726 46.936 1.00 0.00 O ATOM 1064 CB VAL B 20 96.113 62.909 46.515 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.662 62.594 46.143 1.00 0.00 C ATOM 1066 CG2 VAL B 20 96.183 64.294 47.162 1.00 0.00 C ATOM 0 H VAL B 20 98.448 62.920 47.157 1.00 0.00 H new ATOM 0 HA VAL B 20 95.991 61.781 48.382 1.00 0.00 H new ATOM 0 HB VAL B 20 96.729 62.894 45.616 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.296 63.342 45.440 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.610 61.607 45.683 1.00 0.00 H new ATOM 0 HG13 VAL B 20 94.045 62.608 47.041 1.00 0.00 H new ATOM 0 HG21 VAL B 20 95.816 65.043 46.460 1.00 0.00 H new ATOM 0 HG22 VAL B 20 95.567 64.307 48.061 1.00 0.00 H new ATOM 0 HG23 VAL B 20 97.216 64.520 47.427 1.00 0.00 H new ATOM 1076 N GLU B 21 97.730 60.123 46.207 1.00 0.00 N ATOM 1077 CA GLU B 21 97.802 58.774 45.560 1.00 0.00 C ATOM 1078 C GLU B 21 98.131 57.731 46.619 1.00 0.00 C ATOM 1079 O GLU B 21 97.392 56.794 46.848 1.00 0.00 O ATOM 1080 CB GLU B 21 98.947 58.818 44.528 1.00 0.00 C ATOM 1081 CG GLU B 21 99.069 60.200 43.882 1.00 0.00 C ATOM 1082 CD GLU B 21 99.243 60.043 42.369 1.00 0.00 C ATOM 1083 OE1 GLU B 21 98.509 59.263 41.786 1.00 0.00 O ATOM 1084 OE2 GLU B 21 100.109 60.705 41.821 1.00 0.00 O ATOM 0 H GLU B 21 98.562 60.704 46.099 1.00 0.00 H new ATOM 0 HA GLU B 21 96.855 58.520 45.083 1.00 0.00 H new ATOM 0 HB2 GLU B 21 99.887 58.559 45.015 1.00 0.00 H new ATOM 0 HB3 GLU B 21 98.771 58.069 43.756 1.00 0.00 H new ATOM 0 HG2 GLU B 21 98.180 60.793 44.097 1.00 0.00 H new ATOM 0 HG3 GLU B 21 99.920 60.736 44.303 1.00 0.00 H new ATOM 1091 N VAL B 22 99.248 57.897 47.265 1.00 0.00 N ATOM 1092 CA VAL B 22 99.660 56.929 48.316 1.00 0.00 C ATOM 1093 C VAL B 22 98.550 56.794 49.363 1.00 0.00 C ATOM 1094 O VAL B 22 98.348 55.741 49.932 1.00 0.00 O ATOM 1095 CB VAL B 22 100.926 57.527 48.938 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.551 56.506 49.881 1.00 0.00 C ATOM 1097 CG2 VAL B 22 101.939 57.872 47.840 1.00 0.00 C ATOM 0 H VAL B 22 99.898 58.667 47.109 1.00 0.00 H new ATOM 0 HA VAL B 22 99.843 55.932 47.916 1.00 0.00 H new ATOM 0 HB VAL B 22 100.661 58.433 49.484 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.453 56.926 50.327 1.00 0.00 H new ATOM 0 HG12 VAL B 22 100.840 56.255 50.668 1.00 0.00 H new ATOM 0 HG13 VAL B 22 101.808 55.605 49.323 1.00 0.00 H new ATOM 0 HG21 VAL B 22 102.835 58.296 48.292 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.203 56.968 47.291 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.500 58.597 47.155 1.00 0.00 H new ATOM 1107 N LEU B 23 97.824 57.848 49.616 1.00 0.00 N ATOM 1108 CA LEU B 23 96.725 57.768 50.622 1.00 0.00 C ATOM 1109 C LEU B 23 95.472 57.154 49.987 1.00 0.00 C ATOM 1110 O LEU B 23 94.591 56.672 50.671 1.00 0.00 O ATOM 1111 CB LEU B 23 96.459 59.216 51.036 1.00 0.00 C ATOM 1112 CG LEU B 23 95.463 59.239 52.198 1.00 0.00 C ATOM 1113 CD1 LEU B 23 96.178 58.841 53.490 1.00 0.00 C ATOM 1114 CD2 LEU B 23 94.889 60.648 52.349 1.00 0.00 C ATOM 0 H LEU B 23 97.943 58.759 49.172 1.00 0.00 H new ATOM 0 HA LEU B 23 96.990 57.143 51.474 1.00 0.00 H new ATOM 0 HB2 LEU B 23 97.391 59.698 51.332 1.00 0.00 H new ATOM 0 HB3 LEU B 23 96.062 59.780 50.192 1.00 0.00 H new ATOM 0 HG LEU B 23 94.655 58.536 51.997 1.00 0.00 H new ATOM 0 HD11 LEU B 23 95.469 58.857 54.318 1.00 0.00 H new ATOM 0 HD12 LEU B 23 96.589 57.837 53.384 1.00 0.00 H new ATOM 0 HD13 LEU B 23 96.986 59.545 53.690 1.00 0.00 H new ATOM 0 HD21 LEU B 23 94.180 60.665 53.176 1.00 0.00 H new ATOM 0 HD22 LEU B 23 95.698 61.351 52.550 1.00 0.00 H new ATOM 0 HD23 LEU B 23 94.380 60.934 51.429 1.00 0.00 H new ATOM 1126 N ARG B 24 95.385 57.172 48.684 1.00 0.00 N ATOM 1127 CA ARG B 24 94.186 56.592 48.009 1.00 0.00 C ATOM 1128 C ARG B 24 94.359 55.083 47.815 1.00 0.00 C ATOM 1129 O ARG B 24 93.485 54.304 48.140 1.00 0.00 O ATOM 1130 CB ARG B 24 94.117 57.299 46.654 1.00 0.00 C ATOM 1131 CG ARG B 24 93.148 58.480 46.743 1.00 0.00 C ATOM 1132 CD ARG B 24 91.772 58.051 46.227 1.00 0.00 C ATOM 1133 NE ARG B 24 90.816 59.017 46.836 1.00 0.00 N ATOM 1134 CZ ARG B 24 89.583 58.655 47.069 1.00 0.00 C ATOM 1135 NH1 ARG B 24 88.821 58.263 46.085 1.00 0.00 N ATOM 1136 NH2 ARG B 24 89.113 58.684 48.286 1.00 0.00 N ATOM 0 H ARG B 24 96.090 57.562 48.058 1.00 0.00 H new ATOM 0 HA ARG B 24 93.277 56.733 48.594 1.00 0.00 H new ATOM 0 HB2 ARG B 24 95.108 57.649 46.364 1.00 0.00 H new ATOM 0 HB3 ARG B 24 93.787 56.601 45.884 1.00 0.00 H new ATOM 0 HG2 ARG B 24 93.070 58.824 47.774 1.00 0.00 H new ATOM 0 HG3 ARG B 24 93.524 59.318 46.155 1.00 0.00 H new ATOM 0 HD2 ARG B 24 91.730 58.086 45.138 1.00 0.00 H new ATOM 0 HD3 ARG B 24 91.541 57.027 46.522 1.00 0.00 H new ATOM 0 HE ARG B 24 91.124 59.961 47.071 1.00 0.00 H new ATOM 0 HH11 ARG B 24 89.188 58.239 45.134 1.00 0.00 H new ATOM 0 HH12 ARG B 24 87.858 57.980 46.267 1.00 0.00 H new ATOM 0 HH21 ARG B 24 89.709 58.989 49.056 1.00 0.00 H new ATOM 0 HH22 ARG B 24 88.150 58.401 48.468 1.00 0.00 H new ATOM 1150 N GLN B 25 95.474 54.665 47.282 1.00 0.00 N ATOM 1151 CA GLN B 25 95.691 53.206 47.062 1.00 0.00 C ATOM 1152 C GLN B 25 96.568 52.616 48.172 1.00 0.00 C ATOM 1153 O GLN B 25 96.528 51.432 48.441 1.00 0.00 O ATOM 1154 CB GLN B 25 96.394 53.107 45.707 1.00 0.00 C ATOM 1155 CG GLN B 25 97.749 53.814 45.772 1.00 0.00 C ATOM 1156 CD GLN B 25 97.881 54.772 44.586 1.00 0.00 C ATOM 1157 OE1 GLN B 25 98.765 54.624 43.766 1.00 0.00 O ATOM 1158 NE2 GLN B 25 97.032 55.756 44.458 1.00 0.00 N ATOM 0 H GLN B 25 96.243 55.268 46.990 1.00 0.00 H new ATOM 0 HA GLN B 25 94.755 52.648 47.077 1.00 0.00 H new ATOM 0 HB2 GLN B 25 96.532 52.061 45.435 1.00 0.00 H new ATOM 0 HB3 GLN B 25 95.775 53.559 44.932 1.00 0.00 H new ATOM 0 HG2 GLN B 25 97.840 54.363 46.709 1.00 0.00 H new ATOM 0 HG3 GLN B 25 98.555 53.081 45.753 1.00 0.00 H new ATOM 0 HE21 GLN B 25 96.289 55.881 45.146 1.00 0.00 H new ATOM 0 HE22 GLN B 25 97.112 56.399 43.670 1.00 0.00 H new ATOM 1167 N GLN B 26 97.361 53.429 48.820 1.00 0.00 N ATOM 1168 CA GLN B 26 98.236 52.908 49.911 1.00 0.00 C ATOM 1169 C GLN B 26 99.011 51.672 49.435 1.00 0.00 C ATOM 1170 O GLN B 26 98.735 50.568 49.863 1.00 0.00 O ATOM 1171 CB GLN B 26 97.276 52.540 51.041 1.00 0.00 C ATOM 1172 CG GLN B 26 97.315 53.627 52.118 1.00 0.00 C ATOM 1173 CD GLN B 26 96.631 53.115 53.387 1.00 0.00 C ATOM 1174 OE1 GLN B 26 96.204 51.978 53.445 1.00 0.00 O ATOM 1175 NE2 GLN B 26 96.506 53.912 54.413 1.00 0.00 N ATOM 0 H GLN B 26 97.440 54.430 48.641 1.00 0.00 H new ATOM 0 HA GLN B 26 98.980 53.639 50.227 1.00 0.00 H new ATOM 0 HB2 GLN B 26 96.263 52.434 50.652 1.00 0.00 H new ATOM 0 HB3 GLN B 26 97.555 51.578 51.470 1.00 0.00 H new ATOM 0 HG2 GLN B 26 98.347 53.902 52.335 1.00 0.00 H new ATOM 0 HG3 GLN B 26 96.814 54.526 51.760 1.00 0.00 H new ATOM 0 HE21 GLN B 26 96.864 54.866 54.364 1.00 0.00 H new ATOM 0 HE22 GLN B 26 96.050 53.581 55.263 1.00 0.00 H new ATOM 1184 N PRO B 27 99.961 51.896 48.561 1.00 0.00 N ATOM 1185 CA PRO B 27 100.779 50.780 48.029 1.00 0.00 C ATOM 1186 C PRO B 27 101.726 50.249 49.112 1.00 0.00 C ATOM 1187 O PRO B 27 102.089 50.972 50.019 1.00 0.00 O ATOM 1188 CB PRO B 27 101.563 51.420 46.886 1.00 0.00 C ATOM 1189 CG PRO B 27 101.619 52.874 47.224 1.00 0.00 C ATOM 1190 CD PRO B 27 100.363 53.190 47.992 1.00 0.00 C ATOM 0 HA PRO B 27 100.182 49.929 47.703 1.00 0.00 H new ATOM 0 HB2 PRO B 27 102.563 50.994 46.806 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.069 51.256 45.928 1.00 0.00 H new ATOM 0 HG2 PRO B 27 102.504 53.099 47.820 1.00 0.00 H new ATOM 0 HG3 PRO B 27 101.682 53.479 46.320 1.00 0.00 H new ATOM 0 HD2 PRO B 27 100.547 53.929 48.772 1.00 0.00 H new ATOM 0 HD3 PRO B 27 99.589 53.598 47.342 1.00 0.00 H new ATOM 1198 N PRO B 28 102.098 49.000 48.986 1.00 0.00 N ATOM 1199 CA PRO B 28 103.013 48.379 49.975 1.00 0.00 C ATOM 1200 C PRO B 28 104.419 48.970 49.842 1.00 0.00 C ATOM 1201 O PRO B 28 105.078 49.256 50.821 1.00 0.00 O ATOM 1202 CB PRO B 28 103.002 46.899 49.597 1.00 0.00 C ATOM 1203 CG PRO B 28 102.623 46.878 48.152 1.00 0.00 C ATOM 1204 CD PRO B 28 101.713 48.055 47.928 1.00 0.00 C ATOM 0 HA PRO B 28 102.709 48.549 51.008 1.00 0.00 H new ATOM 0 HB2 PRO B 28 103.979 46.443 49.757 1.00 0.00 H new ATOM 0 HB3 PRO B 28 102.287 46.341 50.202 1.00 0.00 H new ATOM 0 HG2 PRO B 28 103.507 46.946 47.519 1.00 0.00 H new ATOM 0 HG3 PRO B 28 102.120 45.945 47.897 1.00 0.00 H new ATOM 0 HD2 PRO B 28 101.852 48.486 46.936 1.00 0.00 H new ATOM 0 HD3 PRO B 28 100.664 47.771 48.008 1.00 0.00 H new ATOM 1212 N ASP B 29 104.881 49.159 48.636 1.00 0.00 N ATOM 1213 CA ASP B 29 106.242 49.734 48.442 1.00 0.00 C ATOM 1214 C ASP B 29 106.139 51.150 47.871 1.00 0.00 C ATOM 1215 O ASP B 29 105.692 51.352 46.758 1.00 0.00 O ATOM 1216 CB ASP B 29 106.932 48.804 47.445 1.00 0.00 C ATOM 1217 CG ASP B 29 106.084 48.697 46.176 1.00 0.00 C ATOM 1218 OD1 ASP B 29 104.998 48.150 46.256 1.00 0.00 O ATOM 1219 OD2 ASP B 29 106.537 49.166 45.144 1.00 0.00 O ATOM 0 H ASP B 29 104.375 48.940 47.778 1.00 0.00 H new ATOM 0 HA ASP B 29 106.795 49.806 49.378 1.00 0.00 H new ATOM 0 HB2 ASP B 29 107.924 49.186 47.201 1.00 0.00 H new ATOM 0 HB3 ASP B 29 107.070 47.817 47.887 1.00 0.00 H new ATOM 1224 N LEU B 30 106.551 52.133 48.623 1.00 0.00 N ATOM 1225 CA LEU B 30 106.479 53.537 48.125 1.00 0.00 C ATOM 1226 C LEU B 30 107.718 53.859 47.291 1.00 0.00 C ATOM 1227 O LEU B 30 107.658 54.603 46.332 1.00 0.00 O ATOM 1228 CB LEU B 30 106.437 54.401 49.387 1.00 0.00 C ATOM 1229 CG LEU B 30 106.334 55.876 48.997 1.00 0.00 C ATOM 1230 CD1 LEU B 30 104.927 56.388 49.309 1.00 0.00 C ATOM 1231 CD2 LEU B 30 107.359 56.686 49.795 1.00 0.00 C ATOM 0 H LEU B 30 106.935 52.025 49.562 1.00 0.00 H new ATOM 0 HA LEU B 30 105.613 53.710 47.487 1.00 0.00 H new ATOM 0 HB2 LEU B 30 105.585 54.118 50.005 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.334 54.234 49.984 1.00 0.00 H new ATOM 0 HG LEU B 30 106.533 55.986 47.931 1.00 0.00 H new ATOM 0 HD11 LEU B 30 104.853 57.439 49.031 1.00 0.00 H new ATOM 0 HD12 LEU B 30 104.196 55.811 48.743 1.00 0.00 H new ATOM 0 HD13 LEU B 30 104.728 56.279 50.375 1.00 0.00 H new ATOM 0 HD21 LEU B 30 107.287 57.738 49.518 1.00 0.00 H new ATOM 0 HD22 LEU B 30 107.159 56.577 50.861 1.00 0.00 H new ATOM 0 HD23 LEU B 30 108.362 56.321 49.575 1.00 0.00 H new ATOM 1243 N VAL B 31 108.842 53.299 47.646 1.00 0.00 N ATOM 1244 CA VAL B 31 110.088 53.565 46.869 1.00 0.00 C ATOM 1245 C VAL B 31 109.845 53.284 45.388 1.00 0.00 C ATOM 1246 O VAL B 31 109.888 54.170 44.558 1.00 0.00 O ATOM 1247 CB VAL B 31 111.119 52.585 47.429 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.476 52.841 46.771 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.241 52.783 48.941 1.00 0.00 C ATOM 0 H VAL B 31 108.952 52.669 48.440 1.00 0.00 H new ATOM 0 HA VAL B 31 110.418 54.600 46.955 1.00 0.00 H new ATOM 0 HB VAL B 31 110.801 51.564 47.220 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.211 52.142 47.170 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.390 52.701 45.693 1.00 0.00 H new ATOM 0 HG13 VAL B 31 112.795 53.862 46.980 1.00 0.00 H new ATOM 0 HG21 VAL B 31 111.976 52.085 49.341 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.560 53.804 49.150 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.274 52.601 49.411 1.00 0.00 H new ATOM 1259 N ASP B 32 109.583 52.052 45.055 1.00 0.00 N ATOM 1260 CA ASP B 32 109.328 51.699 43.634 1.00 0.00 C ATOM 1261 C ASP B 32 108.166 52.536 43.093 1.00 0.00 C ATOM 1262 O ASP B 32 108.239 53.092 42.015 1.00 0.00 O ATOM 1263 CB ASP B 32 108.967 50.216 43.665 1.00 0.00 C ATOM 1264 CG ASP B 32 109.609 49.508 42.471 1.00 0.00 C ATOM 1265 OD1 ASP B 32 110.737 49.839 42.146 1.00 0.00 O ATOM 1266 OD2 ASP B 32 108.961 48.645 41.901 1.00 0.00 O ATOM 0 H ASP B 32 109.535 51.272 45.710 1.00 0.00 H new ATOM 0 HA ASP B 32 110.184 51.893 42.987 1.00 0.00 H new ATOM 0 HB2 ASP B 32 109.312 49.767 44.596 1.00 0.00 H new ATOM 0 HB3 ASP B 32 107.884 50.094 43.634 1.00 0.00 H new ATOM 1271 N PHE B 33 107.098 52.641 43.839 1.00 0.00 N ATOM 1272 CA PHE B 33 105.940 53.453 43.365 1.00 0.00 C ATOM 1273 C PHE B 33 106.409 54.865 43.006 1.00 0.00 C ATOM 1274 O PHE B 33 106.081 55.393 41.961 1.00 0.00 O ATOM 1275 CB PHE B 33 104.969 53.497 44.546 1.00 0.00 C ATOM 1276 CG PHE B 33 103.770 54.339 44.175 1.00 0.00 C ATOM 1277 CD1 PHE B 33 102.949 53.955 43.091 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.473 55.511 44.907 1.00 0.00 C ATOM 1279 CE1 PHE B 33 101.831 54.742 42.738 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.353 56.298 44.553 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.532 55.913 43.470 1.00 0.00 C ATOM 0 H PHE B 33 106.978 52.202 44.752 1.00 0.00 H new ATOM 0 HA PHE B 33 105.474 53.030 42.475 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.652 52.488 44.809 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.464 53.914 45.423 1.00 0.00 H new ATOM 0 HD1 PHE B 33 103.177 53.059 42.532 1.00 0.00 H new ATOM 0 HD2 PHE B 33 104.101 55.805 45.735 1.00 0.00 H new ATOM 0 HE1 PHE B 33 101.204 54.449 41.909 1.00 0.00 H new ATOM 0 HE2 PHE B 33 102.125 57.194 45.111 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.676 56.514 43.201 1.00 0.00 H new ATOM 1291 N ALA B 34 107.181 55.478 43.864 1.00 0.00 N ATOM 1292 CA ALA B 34 107.680 56.853 43.573 1.00 0.00 C ATOM 1293 C ALA B 34 108.341 56.888 42.193 1.00 0.00 C ATOM 1294 O ALA B 34 108.084 57.764 41.391 1.00 0.00 O ATOM 1295 CB ALA B 34 108.708 57.141 44.669 1.00 0.00 C ATOM 0 H ALA B 34 107.487 55.085 44.754 1.00 0.00 H new ATOM 0 HA ALA B 34 106.880 57.593 43.563 1.00 0.00 H new ATOM 0 HB1 ALA B 34 109.124 58.138 44.525 1.00 0.00 H new ATOM 0 HB2 ALA B 34 108.225 57.087 45.645 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.509 56.404 44.619 1.00 0.00 H new ATOM 1301 N VAL B 35 109.186 55.935 41.908 1.00 0.00 N ATOM 1302 CA VAL B 35 109.856 55.905 40.582 1.00 0.00 C ATOM 1303 C VAL B 35 108.813 55.729 39.476 1.00 0.00 C ATOM 1304 O VAL B 35 108.804 56.446 38.497 1.00 0.00 O ATOM 1305 CB VAL B 35 110.779 54.689 40.648 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.501 54.530 39.315 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.807 54.887 41.764 1.00 0.00 C ATOM 0 H VAL B 35 109.440 55.175 42.539 1.00 0.00 H new ATOM 0 HA VAL B 35 110.401 56.823 40.363 1.00 0.00 H new ATOM 0 HB VAL B 35 110.190 53.795 40.853 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.160 53.663 39.359 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.769 54.389 38.519 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.090 55.424 39.112 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.465 54.019 41.811 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.398 55.780 41.560 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.291 55.003 42.717 1.00 0.00 H new ATOM 1317 N GLU B 36 107.936 54.775 39.630 1.00 0.00 N ATOM 1318 CA GLU B 36 106.888 54.541 38.594 1.00 0.00 C ATOM 1319 C GLU B 36 106.158 55.847 38.264 1.00 0.00 C ATOM 1320 O GLU B 36 106.106 56.268 37.125 1.00 0.00 O ATOM 1321 CB GLU B 36 105.926 53.537 39.234 1.00 0.00 C ATOM 1322 CG GLU B 36 106.408 52.109 38.962 1.00 0.00 C ATOM 1323 CD GLU B 36 107.840 51.936 39.477 1.00 0.00 C ATOM 1324 OE1 GLU B 36 108.738 52.501 38.876 1.00 0.00 O ATOM 1325 OE2 GLU B 36 108.012 51.239 40.463 1.00 0.00 O ATOM 0 H GLU B 36 107.899 54.145 40.431 1.00 0.00 H new ATOM 0 HA GLU B 36 107.308 54.172 37.658 1.00 0.00 H new ATOM 0 HB2 GLU B 36 105.866 53.712 40.308 1.00 0.00 H new ATOM 0 HB3 GLU B 36 104.922 53.674 38.832 1.00 0.00 H new ATOM 0 HG2 GLU B 36 105.747 51.393 39.451 1.00 0.00 H new ATOM 0 HG3 GLU B 36 106.369 51.900 37.893 1.00 0.00 H new ATOM 1332 N TYR B 37 105.592 56.487 39.249 1.00 0.00 N ATOM 1333 CA TYR B 37 104.860 57.762 38.993 1.00 0.00 C ATOM 1334 C TYR B 37 105.755 58.750 38.238 1.00 0.00 C ATOM 1335 O TYR B 37 105.476 59.124 37.117 1.00 0.00 O ATOM 1336 CB TYR B 37 104.512 58.306 40.379 1.00 0.00 C ATOM 1337 CG TYR B 37 103.815 59.639 40.240 1.00 0.00 C ATOM 1338 CD1 TYR B 37 102.547 59.713 39.620 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.431 60.813 40.728 1.00 0.00 C ATOM 1340 CE1 TYR B 37 101.895 60.960 39.490 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.779 62.060 40.599 1.00 0.00 C ATOM 1342 CZ TYR B 37 102.511 62.134 39.980 1.00 0.00 C ATOM 1343 OH TYR B 37 101.874 63.351 39.853 1.00 0.00 O ATOM 0 H TYR B 37 105.604 56.183 40.222 1.00 0.00 H new ATOM 0 HA TYR B 37 103.972 57.609 38.380 1.00 0.00 H new ATOM 0 HB2 TYR B 37 103.869 57.601 40.906 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.418 58.418 40.975 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.076 58.816 39.245 1.00 0.00 H new ATOM 0 HD2 TYR B 37 105.401 60.757 41.200 1.00 0.00 H new ATOM 0 HE1 TYR B 37 100.926 61.016 39.016 1.00 0.00 H new ATOM 0 HE2 TYR B 37 104.250 62.957 40.974 1.00 0.00 H new ATOM 0 HH TYR B 37 102.433 64.055 40.243 1.00 0.00 H new ATOM 1353 N PHE B 38 106.825 59.180 38.847 1.00 0.00 N ATOM 1354 CA PHE B 38 107.733 60.148 38.169 1.00 0.00 C ATOM 1355 C PHE B 38 108.246 59.568 36.846 1.00 0.00 C ATOM 1356 O PHE B 38 108.128 60.181 35.803 1.00 0.00 O ATOM 1357 CB PHE B 38 108.885 60.362 39.149 1.00 0.00 C ATOM 1358 CG PHE B 38 108.398 61.174 40.327 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.680 62.371 40.109 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.659 60.736 41.644 1.00 0.00 C ATOM 1361 CE1 PHE B 38 107.224 63.130 41.209 1.00 0.00 C ATOM 1362 CE2 PHE B 38 108.202 61.496 42.744 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.485 62.693 42.526 1.00 0.00 C ATOM 0 H PHE B 38 107.110 58.903 39.786 1.00 0.00 H new ATOM 0 HA PHE B 38 107.228 61.082 37.923 1.00 0.00 H new ATOM 0 HB2 PHE B 38 109.270 59.401 39.490 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.708 60.877 38.653 1.00 0.00 H new ATOM 0 HD1 PHE B 38 107.480 62.705 39.102 1.00 0.00 H new ATOM 0 HD2 PHE B 38 109.208 59.821 41.810 1.00 0.00 H new ATOM 0 HE1 PHE B 38 106.675 64.045 41.043 1.00 0.00 H new ATOM 0 HE2 PHE B 38 108.401 61.162 43.751 1.00 0.00 H new ATOM 0 HZ PHE B 38 107.136 63.274 43.367 1.00 0.00 H new ATOM 1373 N THR B 39 108.812 58.390 36.876 1.00 0.00 N ATOM 1374 CA THR B 39 109.327 57.780 35.613 1.00 0.00 C ATOM 1375 C THR B 39 108.237 57.796 34.538 1.00 0.00 C ATOM 1376 O THR B 39 108.512 57.945 33.363 1.00 0.00 O ATOM 1377 CB THR B 39 109.693 56.341 35.981 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.721 56.351 36.961 1.00 0.00 O ATOM 1379 CG2 THR B 39 110.182 55.602 34.734 1.00 0.00 C ATOM 0 H THR B 39 108.940 57.826 37.716 1.00 0.00 H new ATOM 0 HA THR B 39 110.181 58.326 35.212 1.00 0.00 H new ATOM 0 HB THR B 39 108.815 55.834 36.380 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.345 56.614 37.827 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.443 54.577 34.997 1.00 0.00 H new ATOM 0 HG22 THR B 39 109.392 55.594 33.983 1.00 0.00 H new ATOM 0 HG23 THR B 39 111.060 56.108 34.332 1.00 0.00 H new ATOM 1387 N ARG B 40 107.002 57.649 34.931 1.00 0.00 N ATOM 1388 CA ARG B 40 105.896 57.661 33.934 1.00 0.00 C ATOM 1389 C ARG B 40 105.571 59.101 33.529 1.00 0.00 C ATOM 1390 O ARG B 40 105.145 59.365 32.423 1.00 0.00 O ATOM 1391 CB ARG B 40 104.706 57.024 34.653 1.00 0.00 C ATOM 1392 CG ARG B 40 103.523 56.918 33.688 1.00 0.00 C ATOM 1393 CD ARG B 40 102.773 55.609 33.941 1.00 0.00 C ATOM 1394 NE ARG B 40 102.720 54.934 32.614 1.00 0.00 N ATOM 1395 CZ ARG B 40 103.701 54.160 32.237 1.00 0.00 C ATOM 1396 NH1 ARG B 40 103.744 52.920 32.640 1.00 0.00 N ATOM 1397 NH2 ARG B 40 104.637 54.627 31.457 1.00 0.00 N ATOM 0 H ARG B 40 106.711 57.521 35.900 1.00 0.00 H new ATOM 0 HA ARG B 40 106.154 57.123 33.022 1.00 0.00 H new ATOM 0 HB2 ARG B 40 104.978 56.035 35.022 1.00 0.00 H new ATOM 0 HB3 ARG B 40 104.429 57.623 35.521 1.00 0.00 H new ATOM 0 HG2 ARG B 40 102.852 57.766 33.824 1.00 0.00 H new ATOM 0 HG3 ARG B 40 103.876 56.954 32.658 1.00 0.00 H new ATOM 0 HD2 ARG B 40 103.290 54.993 34.677 1.00 0.00 H new ATOM 0 HD3 ARG B 40 101.772 55.796 34.329 1.00 0.00 H new ATOM 0 HE ARG B 40 101.918 55.077 32.001 1.00 0.00 H new ATOM 0 HH11 ARG B 40 103.011 52.556 33.249 1.00 0.00 H new ATOM 0 HH12 ARG B 40 104.510 52.314 32.346 1.00 0.00 H new ATOM 0 HH21 ARG B 40 104.602 55.597 31.142 1.00 0.00 H new ATOM 0 HH22 ARG B 40 105.404 54.023 31.162 1.00 0.00 H new ATOM 1411 N LEU B 41 105.775 60.035 34.419 1.00 0.00 N ATOM 1412 CA LEU B 41 105.482 61.458 34.086 1.00 0.00 C ATOM 1413 C LEU B 41 106.286 61.886 32.854 1.00 0.00 C ATOM 1414 O LEU B 41 105.829 62.664 32.042 1.00 0.00 O ATOM 1415 CB LEU B 41 105.922 62.252 35.316 1.00 0.00 C ATOM 1416 CG LEU B 41 104.776 63.154 35.778 1.00 0.00 C ATOM 1417 CD1 LEU B 41 103.625 62.291 36.299 1.00 0.00 C ATOM 1418 CD2 LEU B 41 105.268 64.073 36.898 1.00 0.00 C ATOM 0 H LEU B 41 106.131 59.874 35.361 1.00 0.00 H new ATOM 0 HA LEU B 41 104.430 61.621 33.853 1.00 0.00 H new ATOM 0 HB2 LEU B 41 106.209 61.572 36.118 1.00 0.00 H new ATOM 0 HB3 LEU B 41 106.799 62.854 35.079 1.00 0.00 H new ATOM 0 HG LEU B 41 104.429 63.757 34.939 1.00 0.00 H new ATOM 0 HD11 LEU B 41 102.808 62.934 36.628 1.00 0.00 H new ATOM 0 HD12 LEU B 41 103.272 61.635 35.503 1.00 0.00 H new ATOM 0 HD13 LEU B 41 103.973 61.688 37.138 1.00 0.00 H new ATOM 0 HD21 LEU B 41 104.451 64.715 37.227 1.00 0.00 H new ATOM 0 HD22 LEU B 41 105.616 63.470 37.737 1.00 0.00 H new ATOM 0 HD23 LEU B 41 106.088 64.689 36.529 1.00 0.00 H new ATOM 1430 N ARG B 42 107.482 61.382 32.711 1.00 0.00 N ATOM 1431 CA ARG B 42 108.314 61.757 31.532 1.00 0.00 C ATOM 1432 C ARG B 42 107.598 61.367 30.236 1.00 0.00 C ATOM 1433 O ARG B 42 107.741 62.014 29.218 1.00 0.00 O ATOM 1434 CB ARG B 42 109.609 60.959 31.688 1.00 0.00 C ATOM 1435 CG ARG B 42 110.257 61.295 33.033 1.00 0.00 C ATOM 1436 CD ARG B 42 111.619 61.952 32.794 1.00 0.00 C ATOM 1437 NE ARG B 42 112.471 60.875 32.219 1.00 0.00 N ATOM 1438 CZ ARG B 42 112.773 60.891 30.949 1.00 0.00 C ATOM 1439 NH1 ARG B 42 113.561 61.818 30.478 1.00 0.00 N ATOM 1440 NH2 ARG B 42 112.286 59.980 30.152 1.00 0.00 N ATOM 0 H ARG B 42 107.919 60.727 33.360 1.00 0.00 H new ATOM 0 HA ARG B 42 108.501 62.830 31.484 1.00 0.00 H new ATOM 0 HB2 ARG B 42 109.400 59.891 31.630 1.00 0.00 H new ATOM 0 HB3 ARG B 42 110.294 61.194 30.873 1.00 0.00 H new ATOM 0 HG2 ARG B 42 109.613 61.966 33.602 1.00 0.00 H new ATOM 0 HG3 ARG B 42 110.378 60.389 33.627 1.00 0.00 H new ATOM 0 HD2 ARG B 42 111.535 62.796 32.110 1.00 0.00 H new ATOM 0 HD3 ARG B 42 112.041 62.335 33.723 1.00 0.00 H new ATOM 0 HE ARG B 42 112.819 60.125 32.817 1.00 0.00 H new ATOM 0 HH11 ARG B 42 113.941 62.530 31.102 1.00 0.00 H new ATOM 0 HH12 ARG B 42 113.797 61.831 29.486 1.00 0.00 H new ATOM 0 HH21 ARG B 42 111.670 59.256 30.521 1.00 0.00 H new ATOM 0 HH22 ARG B 42 112.522 59.992 29.160 1.00 0.00 H new ATOM 1454 N GLU B 43 106.829 60.312 30.267 1.00 0.00 N ATOM 1455 CA GLU B 43 106.107 59.881 29.035 1.00 0.00 C ATOM 1456 C GLU B 43 104.650 60.350 29.083 1.00 0.00 C ATOM 1457 O GLU B 43 104.044 60.624 28.067 1.00 0.00 O ATOM 1458 CB GLU B 43 106.181 58.353 29.048 1.00 0.00 C ATOM 1459 CG GLU B 43 107.437 57.898 28.302 1.00 0.00 C ATOM 1460 CD GLU B 43 107.337 56.402 27.997 1.00 0.00 C ATOM 1461 OE1 GLU B 43 106.712 56.061 27.007 1.00 0.00 O ATOM 1462 OE2 GLU B 43 107.889 55.624 28.758 1.00 0.00 O ATOM 0 H GLU B 43 106.670 59.731 31.090 1.00 0.00 H new ATOM 0 HA GLU B 43 106.545 60.303 28.130 1.00 0.00 H new ATOM 0 HB2 GLU B 43 106.202 57.988 30.075 1.00 0.00 H new ATOM 0 HB3 GLU B 43 105.293 57.931 28.578 1.00 0.00 H new ATOM 0 HG2 GLU B 43 107.547 58.462 27.376 1.00 0.00 H new ATOM 0 HG3 GLU B 43 108.323 58.099 28.904 1.00 0.00 H new ATOM 1469 N ALA B 44 104.086 60.447 30.255 1.00 0.00 N ATOM 1470 CA ALA B 44 102.669 60.900 30.366 1.00 0.00 C ATOM 1471 C ALA B 44 102.519 62.311 29.802 1.00 0.00 C ATOM 1472 O ALA B 44 102.037 62.506 28.706 1.00 0.00 O ATOM 1473 CB ALA B 44 102.367 60.910 31.864 1.00 0.00 C ATOM 0 H ALA B 44 104.544 60.233 31.141 1.00 0.00 H new ATOM 0 HA ALA B 44 101.992 60.251 29.811 1.00 0.00 H new ATOM 0 HB1 ALA B 44 101.339 61.234 32.026 1.00 0.00 H new ATOM 0 HB2 ALA B 44 102.499 59.907 32.269 1.00 0.00 H new ATOM 0 HB3 ALA B 44 103.047 61.597 32.368 1.00 0.00 H new ATOM 1479 N ARG B 45 102.932 63.291 30.557 1.00 0.00 N ATOM 1480 CA ARG B 45 102.824 64.703 30.101 1.00 0.00 C ATOM 1481 C ARG B 45 101.414 65.003 29.569 1.00 0.00 C ATOM 1482 O ARG B 45 100.539 65.402 30.312 1.00 0.00 O ATOM 1483 CB ARG B 45 103.877 64.846 29.002 1.00 0.00 C ATOM 1484 CG ARG B 45 105.143 65.475 29.588 1.00 0.00 C ATOM 1485 CD ARG B 45 104.919 66.974 29.797 1.00 0.00 C ATOM 1486 NE ARG B 45 105.516 67.623 28.597 1.00 0.00 N ATOM 1487 CZ ARG B 45 106.439 68.535 28.740 1.00 0.00 C ATOM 1488 NH1 ARG B 45 106.314 69.449 29.662 1.00 0.00 N ATOM 1489 NH2 ARG B 45 107.485 68.533 27.960 1.00 0.00 N ATOM 0 H ARG B 45 103.345 63.171 31.482 1.00 0.00 H new ATOM 0 HA ARG B 45 102.991 65.410 30.913 1.00 0.00 H new ATOM 0 HB2 ARG B 45 104.107 63.870 28.575 1.00 0.00 H new ATOM 0 HB3 ARG B 45 103.491 65.466 28.192 1.00 0.00 H new ATOM 0 HG2 ARG B 45 105.393 64.998 30.536 1.00 0.00 H new ATOM 0 HG3 ARG B 45 105.987 65.313 28.917 1.00 0.00 H new ATOM 0 HD2 ARG B 45 103.858 67.206 29.884 1.00 0.00 H new ATOM 0 HD3 ARG B 45 105.398 67.321 30.713 1.00 0.00 H new ATOM 0 HE ARG B 45 105.204 67.355 27.664 1.00 0.00 H new ATOM 0 HH11 ARG B 45 105.496 69.451 30.271 1.00 0.00 H new ATOM 0 HH12 ARG B 45 107.035 70.162 29.774 1.00 0.00 H new ATOM 0 HH21 ARG B 45 107.582 67.819 27.238 1.00 0.00 H new ATOM 0 HH22 ARG B 45 108.206 69.246 28.072 1.00 0.00 H new ATOM 1503 N ARG B 46 101.181 64.823 28.294 1.00 0.00 N ATOM 1504 CA ARG B 46 99.827 65.107 27.736 1.00 0.00 C ATOM 1505 C ARG B 46 99.404 66.538 28.074 1.00 0.00 C ATOM 1506 O ARG B 46 100.279 67.378 28.203 1.00 0.00 O ATOM 1507 CB ARG B 46 98.894 64.099 28.413 1.00 0.00 C ATOM 1508 CG ARG B 46 98.303 63.158 27.360 1.00 0.00 C ATOM 1509 CD ARG B 46 98.597 61.708 27.751 1.00 0.00 C ATOM 1510 NE ARG B 46 97.351 60.963 27.421 1.00 0.00 N ATOM 1511 CZ ARG B 46 96.729 60.287 28.350 1.00 0.00 C ATOM 1512 NH1 ARG B 46 97.090 59.063 28.617 1.00 0.00 N ATOM 1513 NH2 ARG B 46 95.748 60.838 29.010 1.00 0.00 N ATOM 1514 OXT ARG B 46 98.213 66.770 28.199 1.00 0.00 O ATOM 0 H ARG B 46 101.869 64.492 27.617 1.00 0.00 H new ATOM 0 HA ARG B 46 99.804 65.016 26.650 1.00 0.00 H new ATOM 0 HB2 ARG B 46 99.442 63.526 29.161 1.00 0.00 H new ATOM 0 HB3 ARG B 46 98.094 64.623 28.937 1.00 0.00 H new ATOM 0 HG2 ARG B 46 97.227 63.314 27.280 1.00 0.00 H new ATOM 0 HG3 ARG B 46 98.730 63.376 26.381 1.00 0.00 H new ATOM 0 HD2 ARG B 46 99.451 61.315 27.199 1.00 0.00 H new ATOM 0 HD3 ARG B 46 98.838 61.626 28.811 1.00 0.00 H new ATOM 0 HE ARG B 46 96.983 60.980 26.470 1.00 0.00 H new ATOM 0 HH11 ARG B 46 97.858 58.634 28.101 1.00 0.00 H new ATOM 0 HH12 ARG B 46 96.605 58.535 29.342 1.00 0.00 H new ATOM 0 HH21 ARG B 46 95.467 61.796 28.801 1.00 0.00 H new ATOM 0 HH22 ARG B 46 95.262 60.311 29.735 1.00 0.00 H new TER 1528 ARG B 46