USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 409 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 NoAdj-H: A 1 ILE H2 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD NoAdj-H: A 1 ILE H3 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD Single : A 1 ILE N :NH3+ -123:sc= -0.0977 (180deg=-0.621) USER MOD Single : A 2 TYR OH : rot 165:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.2) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -46:sc= 0.772 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= -0.0481 (180deg=-0.314) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.219 0.613 0.169 1.00 23.30 N ATOM 2 CA ILE A 1 2.083 0.808 -0.989 1.00 23.14 C ATOM 3 C ILE A 1 1.899 -0.312 -2.007 1.00 25.21 C ATOM 4 O ILE A 1 2.034 -0.098 -3.212 1.00 21.11 O ATOM 5 CB ILE A 1 3.566 0.876 -0.579 1.00 64.20 C ATOM 6 CG1 ILE A 1 3.797 2.035 0.392 1.00 2.15 C ATOM 7 CG2 ILE A 1 4.449 1.025 -1.809 1.00 62.41 C ATOM 8 CD1 ILE A 1 3.548 3.396 -0.220 1.00 65.43 C ATOM 0 H1 ILE A 1 0.612 1.448 0.293 1.00 23.30 H new ATOM 0 HA ILE A 1 1.796 1.757 -1.441 1.00 23.14 H new ATOM 0 HB ILE A 1 3.831 -0.054 -0.075 1.00 64.20 H new ATOM 0 HG12 ILE A 1 3.145 1.910 1.256 1.00 2.15 H new ATOM 0 HG13 ILE A 1 4.823 1.993 0.758 1.00 2.15 H new ATOM 0 HG21 ILE A 1 5.494 1.072 -1.503 1.00 62.41 H new ATOM 0 HG22 ILE A 1 4.302 0.170 -2.468 1.00 62.41 H new ATOM 0 HG23 ILE A 1 4.185 1.941 -2.338 1.00 62.41 H new ATOM 0 HD11 ILE A 1 3.731 4.169 0.526 1.00 65.43 H new ATOM 0 HD12 ILE A 1 4.219 3.542 -1.067 1.00 65.43 H new ATOM 0 HD13 ILE A 1 2.514 3.458 -0.561 1.00 65.43 H new ATOM 20 N TYR A 2 1.589 -1.506 -1.515 1.00 25.43 N ATOM 21 CA TYR A 2 1.387 -2.661 -2.382 1.00 23.34 C ATOM 22 C TYR A 2 0.017 -2.607 -3.050 1.00 31.50 C ATOM 23 O TYR A 2 -0.313 -3.452 -3.882 1.00 75.22 O ATOM 24 CB TYR A 2 1.526 -3.957 -1.581 1.00 31.03 C ATOM 25 CG TYR A 2 2.956 -4.420 -1.420 1.00 44.34 C ATOM 26 CD1 TYR A 2 3.745 -3.954 -0.375 1.00 52.12 C ATOM 27 CD2 TYR A 2 3.520 -5.322 -2.314 1.00 41.43 C ATOM 28 CE1 TYR A 2 5.053 -4.373 -0.225 1.00 75.20 C ATOM 29 CE2 TYR A 2 4.826 -5.748 -2.171 1.00 44.50 C ATOM 30 CZ TYR A 2 5.589 -5.270 -1.125 1.00 75.41 C ATOM 31 OH TYR A 2 6.891 -5.691 -0.980 1.00 34.12 O ATOM 0 H TYR A 2 1.472 -1.700 -0.520 1.00 25.43 H new ATOM 0 HA TYR A 2 2.151 -2.639 -3.159 1.00 23.34 H new ATOM 0 HB2 TYR A 2 1.087 -3.813 -0.594 1.00 31.03 H new ATOM 0 HB3 TYR A 2 0.952 -4.742 -2.074 1.00 31.03 H new ATOM 0 HD1 TYR A 2 3.328 -3.252 0.332 1.00 52.12 H new ATOM 0 HD2 TYR A 2 2.927 -5.697 -3.135 1.00 41.43 H new ATOM 0 HE1 TYR A 2 5.652 -4.000 0.592 1.00 75.20 H new ATOM 0 HE2 TYR A 2 5.248 -6.451 -2.874 1.00 44.50 H new ATOM 0 HH TYR A 2 7.041 -6.486 -1.533 1.00 34.12 H new ATOM 41 N TRP A 3 -0.775 -1.608 -2.680 1.00 34.13 N ATOM 42 CA TRP A 3 -2.110 -1.442 -3.243 1.00 74.42 C ATOM 43 C TRP A 3 -2.160 -0.242 -4.183 1.00 23.45 C ATOM 44 O TRP A 3 -2.884 -0.252 -5.178 1.00 15.40 O ATOM 45 CB TRP A 3 -3.141 -1.273 -2.125 1.00 62.45 C ATOM 46 CG TRP A 3 -4.547 -1.145 -2.628 1.00 61.22 C ATOM 47 CD1 TRP A 3 -5.403 -2.164 -2.938 1.00 4.51 C ATOM 48 CD2 TRP A 3 -5.259 0.071 -2.881 1.00 31.11 C ATOM 49 NE1 TRP A 3 -6.604 -1.654 -3.368 1.00 41.31 N ATOM 50 CE2 TRP A 3 -6.542 -0.286 -3.341 1.00 43.44 C ATOM 51 CE3 TRP A 3 -4.939 1.426 -2.761 1.00 70.21 C ATOM 52 CZ2 TRP A 3 -7.501 0.665 -3.682 1.00 65.33 C ATOM 53 CZ3 TRP A 3 -5.892 2.368 -3.100 1.00 64.32 C ATOM 54 CH2 TRP A 3 -7.160 1.984 -3.556 1.00 11.05 C ATOM 0 H TRP A 3 -0.516 -0.900 -1.992 1.00 34.13 H new ATOM 0 HA TRP A 3 -2.349 -2.338 -3.815 1.00 74.42 H new ATOM 0 HB2 TRP A 3 -3.080 -2.128 -1.452 1.00 62.45 H new ATOM 0 HB3 TRP A 3 -2.890 -0.388 -1.540 1.00 62.45 H new ATOM 0 HD1 TRP A 3 -5.170 -3.215 -2.857 1.00 4.51 H new ATOM 0 HE1 TRP A 3 -7.411 -2.205 -3.660 1.00 41.31 H new ATOM 0 HE3 TRP A 3 -3.965 1.732 -2.410 1.00 70.21 H new ATOM 0 HZ2 TRP A 3 -8.479 0.372 -4.033 1.00 65.33 H new ATOM 0 HZ3 TRP A 3 -5.655 3.418 -3.012 1.00 64.32 H new ATOM 0 HH2 TRP A 3 -7.883 2.744 -3.813 1.00 11.05 H new ATOM 65 N ILE A 4 -1.385 0.788 -3.860 1.00 73.02 N ATOM 66 CA ILE A 4 -1.341 1.994 -4.677 1.00 43.41 C ATOM 67 C ILE A 4 -0.582 1.750 -5.977 1.00 3.40 C ATOM 68 O ILE A 4 -0.974 2.236 -7.037 1.00 51.13 O ATOM 69 CB ILE A 4 -0.680 3.162 -3.921 1.00 44.01 C ATOM 70 CG1 ILE A 4 -1.543 3.581 -2.730 1.00 13.12 C ATOM 71 CG2 ILE A 4 -0.453 4.339 -4.858 1.00 70.02 C ATOM 72 CD1 ILE A 4 -0.855 3.409 -1.394 1.00 45.50 C ATOM 0 H ILE A 4 -0.780 0.811 -3.039 1.00 73.02 H new ATOM 0 HA ILE A 4 -2.373 2.258 -4.906 1.00 43.41 H new ATOM 0 HB ILE A 4 0.288 2.830 -3.545 1.00 44.01 H new ATOM 0 HG12 ILE A 4 -1.830 4.626 -2.850 1.00 13.12 H new ATOM 0 HG13 ILE A 4 -2.462 2.995 -2.734 1.00 13.12 H new ATOM 0 HG21 ILE A 4 0.015 5.156 -4.309 1.00 70.02 H new ATOM 0 HG22 ILE A 4 0.198 4.032 -5.676 1.00 70.02 H new ATOM 0 HG23 ILE A 4 -1.409 4.673 -5.261 1.00 70.02 H new ATOM 0 HD11 ILE A 4 -1.526 3.726 -0.596 1.00 45.50 H new ATOM 0 HD12 ILE A 4 -0.592 2.361 -1.252 1.00 45.50 H new ATOM 0 HD13 ILE A 4 0.050 4.016 -1.370 1.00 45.50 H new ATOM 84 N ALA A 5 0.507 0.993 -5.887 1.00 74.10 N ATOM 85 CA ALA A 5 1.319 0.681 -7.056 1.00 72.34 C ATOM 86 C ALA A 5 0.503 -0.062 -8.109 1.00 70.11 C ATOM 87 O ALA A 5 0.867 -0.090 -9.285 1.00 1.32 O ATOM 88 CB ALA A 5 2.534 -0.141 -6.651 1.00 52.31 C ATOM 0 H ALA A 5 0.847 0.585 -5.016 1.00 74.10 H new ATOM 0 HA ALA A 5 1.658 1.620 -7.493 1.00 72.34 H new ATOM 0 HB1 ALA A 5 3.131 -0.367 -7.534 1.00 52.31 H new ATOM 0 HB2 ALA A 5 3.136 0.425 -5.941 1.00 52.31 H new ATOM 0 HB3 ALA A 5 2.206 -1.071 -6.188 1.00 52.31 H new ATOM 94 N ASP A 6 -0.601 -0.663 -7.679 1.00 61.24 N ATOM 95 CA ASP A 6 -1.469 -1.406 -8.585 1.00 60.44 C ATOM 96 C ASP A 6 -2.509 -0.487 -9.218 1.00 43.22 C ATOM 97 O ASP A 6 -2.442 -0.188 -10.410 1.00 53.31 O ATOM 98 CB ASP A 6 -2.165 -2.546 -7.839 1.00 65.14 C ATOM 99 CG ASP A 6 -3.258 -3.195 -8.664 1.00 75.31 C ATOM 100 OD1 ASP A 6 -2.927 -3.976 -9.581 1.00 22.12 O ATOM 101 OD2 ASP A 6 -4.446 -2.923 -8.392 1.00 74.32 O ATOM 0 H ASP A 6 -0.916 -0.650 -6.709 1.00 61.24 H new ATOM 0 HA ASP A 6 -0.850 -1.825 -9.378 1.00 60.44 H new ATOM 0 HB2 ASP A 6 -1.427 -3.299 -7.562 1.00 65.14 H new ATOM 0 HB3 ASP A 6 -2.592 -2.163 -6.912 1.00 65.14 H new ATOM 106 N GLN A 7 -3.468 -0.044 -8.412 1.00 40.51 N ATOM 107 CA GLN A 7 -4.523 0.840 -8.894 1.00 44.35 C ATOM 108 C GLN A 7 -3.933 2.051 -9.611 1.00 71.53 C ATOM 109 O GLN A 7 -4.153 2.245 -10.807 1.00 72.20 O ATOM 110 CB GLN A 7 -5.403 1.301 -7.731 1.00 71.44 C ATOM 111 CG GLN A 7 -6.082 0.158 -6.993 1.00 42.20 C ATOM 112 CD GLN A 7 -7.194 -0.481 -7.802 1.00 5.42 C ATOM 113 OE1 GLN A 7 -6.942 -1.143 -8.809 1.00 34.11 O ATOM 114 NE2 GLN A 7 -8.432 -0.285 -7.364 1.00 41.13 N ATOM 0 H GLN A 7 -3.536 -0.282 -7.423 1.00 40.51 H new ATOM 0 HA GLN A 7 -5.134 0.282 -9.603 1.00 44.35 H new ATOM 0 HB2 GLN A 7 -4.793 1.866 -7.026 1.00 71.44 H new ATOM 0 HB3 GLN A 7 -6.165 1.982 -8.110 1.00 71.44 H new ATOM 0 HG2 GLN A 7 -5.339 -0.599 -6.742 1.00 42.20 H new ATOM 0 HG3 GLN A 7 -6.489 0.529 -6.052 1.00 42.20 H new ATOM 0 HE21 GLN A 7 -8.594 0.271 -6.524 1.00 41.13 H new ATOM 0 HE22 GLN A 7 -9.221 -0.690 -7.867 1.00 41.13 H new ATOM 123 N PHE A 8 -3.183 2.862 -8.873 1.00 13.10 N ATOM 124 CA PHE A 8 -2.563 4.055 -9.438 1.00 21.31 C ATOM 125 C PHE A 8 -1.290 3.697 -10.199 1.00 24.11 C ATOM 126 O PHE A 8 -1.246 3.769 -11.426 1.00 62.02 O ATOM 127 CB PHE A 8 -2.243 5.062 -8.331 1.00 52.04 C ATOM 128 CG PHE A 8 -3.420 5.382 -7.454 1.00 44.43 C ATOM 129 CD1 PHE A 8 -3.755 4.556 -6.394 1.00 12.43 C ATOM 130 CD2 PHE A 8 -4.190 6.509 -7.691 1.00 13.33 C ATOM 131 CE1 PHE A 8 -4.837 4.848 -5.584 1.00 41.43 C ATOM 132 CE2 PHE A 8 -5.273 6.807 -6.885 1.00 23.35 C ATOM 133 CZ PHE A 8 -5.597 5.975 -5.831 1.00 32.31 C ATOM 0 H PHE A 8 -2.990 2.715 -7.882 1.00 13.10 H new ATOM 0 HA PHE A 8 -3.269 4.505 -10.136 1.00 21.31 H new ATOM 0 HB2 PHE A 8 -1.436 4.667 -7.713 1.00 52.04 H new ATOM 0 HB3 PHE A 8 -1.876 5.983 -8.784 1.00 52.04 H new ATOM 0 HD1 PHE A 8 -3.164 3.673 -6.198 1.00 12.43 H new ATOM 0 HD2 PHE A 8 -3.941 7.162 -8.515 1.00 13.33 H new ATOM 0 HE1 PHE A 8 -5.087 4.196 -4.760 1.00 41.43 H new ATOM 0 HE2 PHE A 8 -5.865 7.689 -7.079 1.00 23.35 H new ATOM 0 HZ PHE A 8 -6.443 6.205 -5.201 1.00 32.31 H new ATOM 143 N GLY A 9 -0.254 3.311 -9.460 1.00 1.25 N ATOM 144 CA GLY A 9 1.007 2.949 -10.080 1.00 73.45 C ATOM 145 C GLY A 9 1.940 4.133 -10.234 1.00 14.44 C ATOM 146 O GLY A 9 3.103 4.071 -9.836 1.00 64.21 O ATOM 0 H GLY A 9 -0.266 3.243 -8.442 1.00 1.25 H new ATOM 0 HA2 GLY A 9 1.496 2.181 -9.480 1.00 73.45 H new ATOM 0 HA3 GLY A 9 0.814 2.513 -11.060 1.00 73.45 H new ATOM 150 N ILE A 10 1.429 5.215 -10.812 1.00 44.24 N ATOM 151 CA ILE A 10 2.226 6.419 -11.017 1.00 73.34 C ATOM 152 C ILE A 10 3.507 6.106 -11.783 1.00 52.43 C ATOM 153 O ILE A 10 4.609 6.399 -11.317 1.00 55.03 O ATOM 154 CB ILE A 10 2.591 7.087 -9.679 1.00 21.23 C ATOM 155 CG1 ILE A 10 1.362 7.164 -8.770 1.00 64.11 C ATOM 156 CG2 ILE A 10 3.167 8.474 -9.919 1.00 12.30 C ATOM 157 CD1 ILE A 10 1.253 6.006 -7.803 1.00 15.01 C ATOM 0 H ILE A 10 0.468 5.283 -11.146 1.00 44.24 H new ATOM 0 HA ILE A 10 1.615 7.107 -11.602 1.00 73.34 H new ATOM 0 HB ILE A 10 3.349 6.481 -9.183 1.00 21.23 H new ATOM 0 HG12 ILE A 10 1.395 8.096 -8.206 1.00 64.11 H new ATOM 0 HG13 ILE A 10 0.465 7.197 -9.388 1.00 64.11 H new ATOM 0 HG21 ILE A 10 3.420 8.933 -8.963 1.00 12.30 H new ATOM 0 HG22 ILE A 10 4.065 8.394 -10.532 1.00 12.30 H new ATOM 0 HG23 ILE A 10 2.430 9.090 -10.434 1.00 12.30 H new ATOM 0 HD11 ILE A 10 0.359 6.126 -7.191 1.00 15.01 H new ATOM 0 HD12 ILE A 10 1.188 5.071 -8.360 1.00 15.01 H new ATOM 0 HD13 ILE A 10 2.133 5.985 -7.160 1.00 15.01 H new ATOM 169 N HIS A 11 3.355 5.512 -12.962 1.00 71.24 N ATOM 170 CA HIS A 11 4.500 5.162 -13.795 1.00 60.22 C ATOM 171 C HIS A 11 5.529 4.365 -12.998 1.00 15.41 C ATOM 172 O HIS A 11 6.734 4.503 -13.208 1.00 64.10 O ATOM 173 CB HIS A 11 5.147 6.424 -14.367 1.00 33.04 C ATOM 174 CG HIS A 11 4.424 6.983 -15.553 1.00 73.34 C ATOM 175 ND1 HIS A 11 3.764 8.193 -15.531 1.00 41.44 N ATOM 176 CD2 HIS A 11 4.260 6.490 -16.803 1.00 64.43 C ATOM 177 CE1 HIS A 11 3.225 8.420 -16.716 1.00 12.01 C ATOM 178 NE2 HIS A 11 3.512 7.401 -17.506 1.00 52.42 N ATOM 0 H HIS A 11 2.450 5.263 -13.362 1.00 71.24 H new ATOM 0 HA HIS A 11 4.143 4.541 -14.617 1.00 60.22 H new ATOM 0 HB2 HIS A 11 5.192 7.185 -13.588 1.00 33.04 H new ATOM 0 HB3 HIS A 11 6.175 6.198 -14.652 1.00 33.04 H new ATOM 0 HD2 HIS A 11 4.646 5.554 -17.178 1.00 64.43 H new ATOM 0 HE1 HIS A 11 2.648 9.290 -16.992 1.00 12.01 H new ATOM 0 HE2 HIS A 11 3.224 7.307 -18.480 1.00 52.42 H new ATOM 186 N LEU A 12 5.045 3.533 -12.082 1.00 53.52 N ATOM 187 CA LEU A 12 5.922 2.715 -11.252 1.00 51.12 C ATOM 188 C LEU A 12 6.865 1.882 -12.114 1.00 21.41 C ATOM 189 O LEU A 12 6.438 1.226 -13.064 1.00 11.32 O ATOM 190 CB LEU A 12 5.094 1.799 -10.349 1.00 71.15 C ATOM 191 CG LEU A 12 5.846 0.634 -9.705 1.00 73.31 C ATOM 192 CD1 LEU A 12 6.942 1.149 -8.786 1.00 31.04 C ATOM 193 CD2 LEU A 12 4.884 -0.264 -8.940 1.00 52.15 C ATOM 0 H LEU A 12 4.050 3.407 -11.896 1.00 53.52 H new ATOM 0 HA LEU A 12 6.520 3.382 -10.631 1.00 51.12 H new ATOM 0 HB2 LEU A 12 4.655 2.404 -9.556 1.00 71.15 H new ATOM 0 HB3 LEU A 12 4.269 1.393 -10.935 1.00 71.15 H new ATOM 0 HG LEU A 12 6.311 0.045 -10.496 1.00 73.31 H new ATOM 0 HD11 LEU A 12 7.466 0.306 -8.337 1.00 31.04 H new ATOM 0 HD12 LEU A 12 7.647 1.750 -9.361 1.00 31.04 H new ATOM 0 HD13 LEU A 12 6.500 1.762 -8.000 1.00 31.04 H new ATOM 0 HD21 LEU A 12 5.437 -1.088 -8.488 1.00 52.15 H new ATOM 0 HD22 LEU A 12 4.391 0.314 -8.158 1.00 52.15 H new ATOM 0 HD23 LEU A 12 4.135 -0.662 -9.625 1.00 52.15 H new ATOM 205 N ALA A 13 8.150 1.910 -11.774 1.00 14.31 N ATOM 206 CA ALA A 13 9.153 1.154 -12.514 1.00 14.24 C ATOM 207 C ALA A 13 9.240 -0.282 -12.009 1.00 31.11 C ATOM 208 O ALA A 13 10.158 -0.637 -11.269 1.00 11.04 O ATOM 209 CB ALA A 13 10.509 1.835 -12.410 1.00 42.42 C ATOM 0 H ALA A 13 8.521 2.448 -10.991 1.00 14.31 H new ATOM 0 HA ALA A 13 8.852 1.126 -13.561 1.00 14.24 H new ATOM 0 HB1 ALA A 13 11.249 1.260 -12.967 1.00 42.42 H new ATOM 0 HB2 ALA A 13 10.444 2.841 -12.825 1.00 42.42 H new ATOM 0 HB3 ALA A 13 10.808 1.893 -11.363 1.00 42.42 H new ATOM 215 N THR A 14 8.278 -1.106 -12.413 1.00 61.23 N ATOM 216 CA THR A 14 8.245 -2.504 -12.001 1.00 4.53 C ATOM 217 C THR A 14 8.909 -3.400 -13.040 1.00 40.52 C ATOM 218 O THR A 14 8.606 -4.588 -13.134 1.00 31.12 O ATOM 219 CB THR A 14 6.801 -2.987 -11.769 1.00 64.34 C ATOM 220 OG1 THR A 14 6.810 -4.291 -11.177 1.00 64.14 O ATOM 221 CG2 THR A 14 6.027 -3.024 -13.078 1.00 71.32 C ATOM 0 H THR A 14 7.511 -0.829 -13.026 1.00 61.23 H new ATOM 0 HA THR A 14 8.797 -2.570 -11.064 1.00 4.53 H new ATOM 0 HB THR A 14 6.310 -2.286 -11.094 1.00 64.34 H new ATOM 0 HG1 THR A 14 7.446 -4.863 -11.656 1.00 64.14 H new ATOM 0 HG21 THR A 14 5.010 -3.368 -12.890 1.00 71.32 H new ATOM 0 HG22 THR A 14 5.997 -2.024 -13.512 1.00 71.32 H new ATOM 0 HG23 THR A 14 6.518 -3.706 -13.772 1.00 71.32 H new ATOM 229 N GLY A 15 9.818 -2.821 -13.820 1.00 75.21 N ATOM 230 CA GLY A 15 10.510 -3.583 -14.843 1.00 4.04 C ATOM 231 C GLY A 15 11.664 -4.390 -14.282 1.00 65.20 C ATOM 232 O GLY A 15 11.944 -5.495 -14.748 1.00 65.15 O ATOM 0 H GLY A 15 10.087 -1.839 -13.761 1.00 75.21 H new ATOM 0 HA2 GLY A 15 9.804 -4.255 -15.331 1.00 4.04 H new ATOM 0 HA3 GLY A 15 10.884 -2.903 -15.608 1.00 4.04 H new ATOM 236 N THR A 16 12.339 -3.838 -13.278 1.00 52.32 N ATOM 237 CA THR A 16 13.471 -4.512 -12.655 1.00 53.12 C ATOM 238 C THR A 16 13.186 -4.826 -11.191 1.00 11.41 C ATOM 239 O THR A 16 13.786 -5.731 -10.612 1.00 74.24 O ATOM 240 CB THR A 16 14.751 -3.661 -12.746 1.00 42.44 C ATOM 241 OG1 THR A 16 15.055 -3.378 -14.117 1.00 11.31 O ATOM 242 CG2 THR A 16 15.926 -4.379 -12.099 1.00 52.14 C ATOM 0 H THR A 16 12.121 -2.925 -12.879 1.00 52.32 H new ATOM 0 HA THR A 16 13.623 -5.443 -13.200 1.00 53.12 H new ATOM 0 HB THR A 16 14.578 -2.727 -12.212 1.00 42.44 H new ATOM 0 HG1 THR A 16 15.869 -2.835 -14.166 1.00 11.31 H new ATOM 0 HG21 THR A 16 16.819 -3.758 -12.176 1.00 52.14 H new ATOM 0 HG22 THR A 16 15.704 -4.567 -11.049 1.00 52.14 H new ATOM 0 HG23 THR A 16 16.098 -5.327 -12.609 1.00 52.14 H new ATOM 250 N ALA A 17 12.267 -4.072 -10.597 1.00 54.31 N ATOM 251 CA ALA A 17 11.900 -4.272 -9.200 1.00 44.24 C ATOM 252 C ALA A 17 11.400 -5.692 -8.962 1.00 63.51 C ATOM 253 O ALA A 17 11.432 -6.191 -7.837 1.00 21.21 O ATOM 254 CB ALA A 17 10.843 -3.261 -8.782 1.00 41.20 C ATOM 0 H ALA A 17 11.763 -3.317 -11.061 1.00 54.31 H new ATOM 0 HA ALA A 17 12.791 -4.122 -8.591 1.00 44.24 H new ATOM 0 HB1 ALA A 17 10.579 -3.422 -7.737 1.00 41.20 H new ATOM 0 HB2 ALA A 17 11.236 -2.252 -8.906 1.00 41.20 H new ATOM 0 HB3 ALA A 17 9.956 -3.384 -9.404 1.00 41.20 H new ATOM 260 N ARG A 18 10.938 -6.339 -10.028 1.00 4.25 N ATOM 261 CA ARG A 18 10.430 -7.702 -9.933 1.00 54.21 C ATOM 262 C ARG A 18 11.459 -8.623 -9.285 1.00 45.15 C ATOM 263 O ARG A 18 11.112 -9.511 -8.507 1.00 73.44 O ATOM 264 CB ARG A 18 10.060 -8.228 -11.321 1.00 62.31 C ATOM 265 CG ARG A 18 8.676 -7.805 -11.784 1.00 72.34 C ATOM 266 CD ARG A 18 7.584 -8.520 -11.003 1.00 4.55 C ATOM 267 NE ARG A 18 7.218 -9.794 -11.614 1.00 23.43 N ATOM 268 CZ ARG A 18 6.512 -10.732 -10.991 1.00 51.35 C ATOM 269 NH1 ARG A 18 6.097 -10.538 -9.747 1.00 45.51 N ATOM 270 NH2 ARG A 18 6.218 -11.866 -11.614 1.00 44.03 N ATOM 0 H ARG A 18 10.905 -5.941 -10.967 1.00 4.25 H new ATOM 0 HA ARG A 18 9.538 -7.688 -9.307 1.00 54.21 H new ATOM 0 HB2 ARG A 18 10.798 -7.877 -12.042 1.00 62.31 H new ATOM 0 HB3 ARG A 18 10.114 -9.317 -11.314 1.00 62.31 H new ATOM 0 HG2 ARG A 18 8.565 -6.727 -11.664 1.00 72.34 H new ATOM 0 HG3 ARG A 18 8.565 -8.020 -12.847 1.00 72.34 H new ATOM 0 HD2 ARG A 18 7.923 -8.692 -9.981 1.00 4.55 H new ATOM 0 HD3 ARG A 18 6.703 -7.881 -10.943 1.00 4.55 H new ATOM 0 HE ARG A 18 7.521 -9.974 -12.571 1.00 23.43 H new ATOM 0 HH11 ARG A 18 6.319 -9.667 -9.265 1.00 45.51 H new ATOM 0 HH12 ARG A 18 5.555 -11.260 -9.272 1.00 45.51 H new ATOM 0 HH21 ARG A 18 6.534 -12.018 -12.572 1.00 44.03 H new ATOM 0 HH22 ARG A 18 5.676 -12.585 -11.135 1.00 44.03 H new ATOM 284 N LYS A 19 12.729 -8.405 -9.612 1.00 52.03 N ATOM 285 CA LYS A 19 13.810 -9.214 -9.063 1.00 5.20 C ATOM 286 C LYS A 19 13.995 -8.937 -7.574 1.00 51.13 C ATOM 287 O LYS A 19 14.493 -9.784 -6.832 1.00 24.10 O ATOM 288 CB LYS A 19 15.116 -8.932 -9.810 1.00 72.15 C ATOM 289 CG LYS A 19 15.231 -9.671 -11.133 1.00 2.14 C ATOM 290 CD LYS A 19 14.467 -8.960 -12.237 1.00 45.22 C ATOM 291 CE LYS A 19 15.013 -9.317 -13.611 1.00 63.02 C ATOM 292 NZ LYS A 19 16.375 -8.755 -13.831 1.00 13.44 N ATOM 0 H LYS A 19 13.034 -7.674 -10.255 1.00 52.03 H new ATOM 0 HA LYS A 19 13.545 -10.264 -9.190 1.00 5.20 H new ATOM 0 HB2 LYS A 19 15.196 -7.861 -9.994 1.00 72.15 H new ATOM 0 HB3 LYS A 19 15.956 -9.210 -9.174 1.00 72.15 H new ATOM 0 HG2 LYS A 19 16.281 -9.757 -11.413 1.00 2.14 H new ATOM 0 HG3 LYS A 19 14.848 -10.685 -11.019 1.00 2.14 H new ATOM 0 HD2 LYS A 19 13.412 -9.229 -12.182 1.00 45.22 H new ATOM 0 HD3 LYS A 19 14.529 -7.882 -12.088 1.00 45.22 H new ATOM 0 HE2 LYS A 19 15.046 -10.401 -13.718 1.00 63.02 H new ATOM 0 HE3 LYS A 19 14.337 -8.941 -14.379 1.00 63.02 H new ATOM 0 HZ1 LYS A 19 16.568 -8.702 -14.852 1.00 13.44 H new ATOM 0 HZ2 LYS A 19 16.428 -7.802 -13.418 1.00 13.44 H new ATOM 0 HZ3 LYS A 19 17.081 -9.369 -13.377 1.00 13.44 H new ATOM 306 N LEU A 20 13.589 -7.748 -7.144 1.00 11.42 N ATOM 307 CA LEU A 20 13.708 -7.360 -5.743 1.00 10.35 C ATOM 308 C LEU A 20 12.509 -7.851 -4.938 1.00 12.51 C ATOM 309 O LEU A 20 12.666 -8.494 -3.899 1.00 53.32 O ATOM 310 CB LEU A 20 13.830 -5.840 -5.622 1.00 54.43 C ATOM 311 CG LEU A 20 15.197 -5.247 -5.964 1.00 51.55 C ATOM 312 CD1 LEU A 20 15.052 -3.807 -6.434 1.00 21.22 C ATOM 313 CD2 LEU A 20 16.129 -5.327 -4.764 1.00 14.20 C ATOM 0 H LEU A 20 13.175 -7.036 -7.745 1.00 11.42 H new ATOM 0 HA LEU A 20 14.608 -7.824 -5.339 1.00 10.35 H new ATOM 0 HB2 LEU A 20 13.085 -5.383 -6.273 1.00 54.43 H new ATOM 0 HB3 LEU A 20 13.578 -5.556 -4.600 1.00 54.43 H new ATOM 0 HG LEU A 20 15.632 -5.831 -6.776 1.00 51.55 H new ATOM 0 HD11 LEU A 20 16.035 -3.401 -6.673 1.00 21.22 H new ATOM 0 HD12 LEU A 20 14.421 -3.776 -7.322 1.00 21.22 H new ATOM 0 HD13 LEU A 20 14.596 -3.211 -5.644 1.00 21.22 H new ATOM 0 HD21 LEU A 20 17.097 -4.900 -5.026 1.00 14.20 H new ATOM 0 HD22 LEU A 20 15.700 -4.769 -3.932 1.00 14.20 H new ATOM 0 HD23 LEU A 20 16.259 -6.369 -4.473 1.00 14.20 H new ATOM 325 N LEU A 21 11.311 -7.545 -5.425 1.00 2.01 N ATOM 326 CA LEU A 21 10.084 -7.957 -4.752 1.00 51.04 C ATOM 327 C LEU A 21 10.014 -9.476 -4.630 1.00 13.33 C ATOM 328 O LEU A 21 9.288 -10.008 -3.789 1.00 40.34 O ATOM 329 CB LEU A 21 8.863 -7.438 -5.514 1.00 71.51 C ATOM 330 CG LEU A 21 8.581 -5.941 -5.391 1.00 11.35 C ATOM 331 CD1 LEU A 21 7.642 -5.481 -6.495 1.00 32.41 C ATOM 332 CD2 LEU A 21 7.996 -5.619 -4.023 1.00 24.22 C ATOM 0 H LEU A 21 11.163 -7.013 -6.283 1.00 2.01 H new ATOM 0 HA LEU A 21 10.087 -7.530 -3.749 1.00 51.04 H new ATOM 0 HB2 LEU A 21 8.990 -7.678 -6.570 1.00 71.51 H new ATOM 0 HB3 LEU A 21 7.985 -7.982 -5.167 1.00 71.51 H new ATOM 0 HG LEU A 21 9.524 -5.404 -5.497 1.00 11.35 H new ATOM 0 HD11 LEU A 21 7.453 -4.413 -6.390 1.00 32.41 H new ATOM 0 HD12 LEU A 21 8.099 -5.676 -7.465 1.00 32.41 H new ATOM 0 HD13 LEU A 21 6.700 -6.025 -6.422 1.00 32.41 H new ATOM 0 HD21 LEU A 21 7.802 -4.549 -3.953 1.00 24.22 H new ATOM 0 HD22 LEU A 21 7.063 -6.167 -3.888 1.00 24.22 H new ATOM 0 HD23 LEU A 21 8.704 -5.911 -3.247 1.00 24.22 H new ATOM 344 N ASP A 22 10.774 -10.168 -5.471 1.00 53.32 N ATOM 345 CA ASP A 22 10.801 -11.626 -5.455 1.00 54.31 C ATOM 346 C ASP A 22 11.895 -12.139 -4.524 1.00 54.20 C ATOM 347 O ASP A 22 12.202 -13.330 -4.509 1.00 21.21 O ATOM 348 CB ASP A 22 11.020 -12.169 -6.868 1.00 40.30 C ATOM 349 CG ASP A 22 10.787 -13.664 -6.956 1.00 63.12 C ATOM 350 OD1 ASP A 22 9.677 -14.113 -6.604 1.00 32.12 O ATOM 351 OD2 ASP A 22 11.716 -14.386 -7.377 1.00 0.32 O ATOM 0 H ASP A 22 11.380 -9.743 -6.173 1.00 53.32 H new ATOM 0 HA ASP A 22 9.839 -11.979 -5.084 1.00 54.31 H new ATOM 0 HB2 ASP A 22 10.349 -11.658 -7.558 1.00 40.30 H new ATOM 0 HB3 ASP A 22 12.038 -11.943 -7.187 1.00 40.30 H new ATOM 356 N ALA A 23 12.479 -11.231 -3.750 1.00 4.34 N ATOM 357 CA ALA A 23 13.538 -11.592 -2.815 1.00 44.52 C ATOM 358 C ALA A 23 13.298 -10.966 -1.445 1.00 62.43 C ATOM 359 O ALA A 23 13.520 -11.602 -0.414 1.00 50.43 O ATOM 360 CB ALA A 23 14.893 -11.165 -3.362 1.00 73.01 C ATOM 0 H ALA A 23 12.237 -10.240 -3.752 1.00 4.34 H new ATOM 0 HA ALA A 23 13.531 -12.676 -2.697 1.00 44.52 H new ATOM 0 HB1 ALA A 23 15.674 -11.441 -2.654 1.00 73.01 H new ATOM 0 HB2 ALA A 23 15.074 -11.663 -4.314 1.00 73.01 H new ATOM 0 HB3 ALA A 23 14.902 -10.085 -3.510 1.00 73.01 H new ATOM 366 N VAL A 24 12.844 -9.717 -1.441 1.00 42.03 N ATOM 367 CA VAL A 24 12.574 -9.006 -0.198 1.00 14.24 C ATOM 368 C VAL A 24 11.512 -9.725 0.627 1.00 55.34 C ATOM 369 O VAL A 24 11.527 -9.676 1.856 1.00 23.11 O ATOM 370 CB VAL A 24 12.109 -7.562 -0.466 1.00 61.13 C ATOM 371 CG1 VAL A 24 13.147 -6.811 -1.287 1.00 33.12 C ATOM 372 CG2 VAL A 24 10.759 -7.559 -1.167 1.00 50.11 C ATOM 0 H VAL A 24 12.655 -9.177 -2.285 1.00 42.03 H new ATOM 0 HA VAL A 24 13.509 -8.981 0.361 1.00 14.24 H new ATOM 0 HB VAL A 24 11.997 -7.051 0.490 1.00 61.13 H new ATOM 0 HG11 VAL A 24 12.802 -5.793 -1.467 1.00 33.12 H new ATOM 0 HG12 VAL A 24 14.091 -6.783 -0.743 1.00 33.12 H new ATOM 0 HG13 VAL A 24 13.293 -7.318 -2.241 1.00 33.12 H new ATOM 0 HG21 VAL A 24 10.446 -6.531 -1.349 1.00 50.11 H new ATOM 0 HG22 VAL A 24 10.841 -8.087 -2.117 1.00 50.11 H new ATOM 0 HG23 VAL A 24 10.021 -8.057 -0.538 1.00 50.11 H new ATOM 382 N ALA A 25 10.589 -10.392 -0.059 1.00 65.24 N ATOM 383 CA ALA A 25 9.521 -11.124 0.609 1.00 14.21 C ATOM 384 C ALA A 25 10.075 -12.299 1.407 1.00 64.12 C ATOM 385 O ALA A 25 9.449 -12.768 2.357 1.00 12.51 O ATOM 386 CB ALA A 25 8.497 -11.609 -0.407 1.00 65.11 C ATOM 0 H ALA A 25 10.560 -10.440 -1.077 1.00 65.24 H new ATOM 0 HA ALA A 25 9.031 -10.445 1.306 1.00 14.21 H new ATOM 0 HB1 ALA A 25 7.705 -12.154 0.106 1.00 65.11 H new ATOM 0 HB2 ALA A 25 8.069 -10.753 -0.929 1.00 65.11 H new ATOM 0 HB3 ALA A 25 8.983 -12.267 -1.127 1.00 65.11 H new ATOM 392 N SER A 26 11.254 -12.772 1.014 1.00 51.45 N ATOM 393 CA SER A 26 11.891 -13.896 1.689 1.00 11.35 C ATOM 394 C SER A 26 12.987 -13.412 2.633 1.00 4.53 C ATOM 395 O SER A 26 13.320 -14.080 3.611 1.00 10.43 O ATOM 396 CB SER A 26 12.477 -14.869 0.665 1.00 42.44 C ATOM 397 OG SER A 26 13.046 -15.999 1.302 1.00 21.21 O ATOM 0 H SER A 26 11.787 -12.394 0.231 1.00 51.45 H new ATOM 0 HA SER A 26 11.132 -14.413 2.276 1.00 11.35 H new ATOM 0 HB2 SER A 26 11.696 -15.191 -0.024 1.00 42.44 H new ATOM 0 HB3 SER A 26 13.237 -14.362 0.070 1.00 42.44 H new ATOM 0 HG SER A 26 13.412 -16.606 0.625 1.00 21.21 H new ATOM 403 N GLY A 27 13.546 -12.243 2.332 1.00 61.25 N ATOM 404 CA GLY A 27 14.599 -11.688 3.161 1.00 24.34 C ATOM 405 C GLY A 27 15.134 -10.377 2.620 1.00 20.30 C ATOM 406 O GLY A 27 16.195 -10.342 1.998 1.00 3.50 O ATOM 0 H GLY A 27 13.288 -11.671 1.528 1.00 61.25 H new ATOM 0 HA2 GLY A 27 14.218 -11.532 4.170 1.00 24.34 H new ATOM 0 HA3 GLY A 27 15.415 -12.407 3.235 1.00 24.34 H new ATOM 410 N ALA A 28 14.397 -9.297 2.855 1.00 14.04 N ATOM 411 CA ALA A 28 14.803 -7.978 2.387 1.00 11.22 C ATOM 412 C ALA A 28 16.006 -7.464 3.171 1.00 50.34 C ATOM 413 O ALA A 28 15.858 -6.689 4.116 1.00 63.03 O ATOM 414 CB ALA A 28 13.643 -6.999 2.495 1.00 30.02 C ATOM 0 H ALA A 28 13.515 -9.310 3.367 1.00 14.04 H new ATOM 0 HA ALA A 28 15.094 -8.065 1.340 1.00 11.22 H new ATOM 0 HB1 ALA A 28 13.961 -6.018 2.142 1.00 30.02 H new ATOM 0 HB2 ALA A 28 12.811 -7.352 1.886 1.00 30.02 H new ATOM 0 HB3 ALA A 28 13.325 -6.925 3.535 1.00 30.02 H new ATOM 420 N SER A 29 17.196 -7.900 2.772 1.00 64.40 N ATOM 421 CA SER A 29 18.425 -7.488 3.440 1.00 1.31 C ATOM 422 C SER A 29 19.019 -6.252 2.770 1.00 22.41 C ATOM 423 O SER A 29 19.596 -5.389 3.433 1.00 61.12 O ATOM 424 CB SER A 29 19.445 -8.628 3.429 1.00 72.14 C ATOM 425 OG SER A 29 18.847 -9.851 3.822 1.00 13.04 O ATOM 0 H SER A 29 17.335 -8.539 1.989 1.00 64.40 H new ATOM 0 HA SER A 29 18.182 -7.239 4.473 1.00 1.31 H new ATOM 0 HB2 SER A 29 19.869 -8.731 2.430 1.00 72.14 H new ATOM 0 HB3 SER A 29 20.269 -8.390 4.102 1.00 72.14 H new ATOM 0 HG SER A 29 19.519 -10.564 3.805 1.00 13.04 H new ATOM 431 N LEU A 30 18.874 -6.175 1.452 1.00 50.20 N ATOM 432 CA LEU A 30 19.396 -5.046 0.690 1.00 54.51 C ATOM 433 C LEU A 30 18.930 -3.722 1.290 1.00 64.54 C ATOM 434 O LEU A 30 17.820 -3.621 1.809 1.00 54.04 O ATOM 435 CB LEU A 30 18.951 -5.141 -0.770 1.00 75.24 C ATOM 436 CG LEU A 30 20.059 -5.381 -1.796 1.00 22.43 C ATOM 437 CD1 LEU A 30 21.173 -4.360 -1.627 1.00 11.31 C ATOM 438 CD2 LEU A 30 20.606 -6.796 -1.668 1.00 5.41 C ATOM 0 H LEU A 30 18.399 -6.881 0.889 1.00 50.20 H new ATOM 0 HA LEU A 30 20.484 -5.082 0.735 1.00 54.51 H new ATOM 0 HB2 LEU A 30 18.224 -5.948 -0.855 1.00 75.24 H new ATOM 0 HB3 LEU A 30 18.435 -4.218 -1.032 1.00 75.24 H new ATOM 0 HG LEU A 30 19.636 -5.265 -2.794 1.00 22.43 H new ATOM 0 HD11 LEU A 30 21.953 -4.546 -2.366 1.00 11.31 H new ATOM 0 HD12 LEU A 30 20.771 -3.357 -1.769 1.00 11.31 H new ATOM 0 HD13 LEU A 30 21.595 -4.444 -0.625 1.00 11.31 H new ATOM 0 HD21 LEU A 30 21.394 -6.950 -2.406 1.00 5.41 H new ATOM 0 HD22 LEU A 30 21.013 -6.940 -0.667 1.00 5.41 H new ATOM 0 HD23 LEU A 30 19.803 -7.513 -1.839 1.00 5.41 H new ATOM 450 N GLY A 31 19.788 -2.709 1.212 1.00 30.35 N ATOM 451 CA GLY A 31 19.446 -1.405 1.750 1.00 71.34 C ATOM 452 C GLY A 31 19.605 -0.297 0.728 1.00 64.23 C ATOM 453 O GLY A 31 18.856 0.680 0.738 1.00 44.43 O ATOM 0 H GLY A 31 20.713 -2.768 0.786 1.00 30.35 H new ATOM 0 HA2 GLY A 31 18.416 -1.421 2.107 1.00 71.34 H new ATOM 0 HA3 GLY A 31 20.079 -1.194 2.612 1.00 71.34 H new ATOM 457 N THR A 32 20.586 -0.447 -0.158 1.00 34.32 N ATOM 458 CA THR A 32 20.843 0.550 -1.189 1.00 63.42 C ATOM 459 C THR A 32 19.985 0.298 -2.424 1.00 10.24 C ATOM 460 O THR A 32 19.329 1.208 -2.931 1.00 22.51 O ATOM 461 CB THR A 32 22.327 0.560 -1.603 1.00 30.52 C ATOM 462 OG1 THR A 32 23.157 0.337 -0.457 1.00 55.10 O ATOM 463 CG2 THR A 32 22.698 1.883 -2.255 1.00 22.12 C ATOM 0 H THR A 32 21.215 -1.250 -0.181 1.00 34.32 H new ATOM 0 HA THR A 32 20.585 1.519 -0.762 1.00 63.42 H new ATOM 0 HB THR A 32 22.485 -0.240 -2.326 1.00 30.52 H new ATOM 0 HG1 THR A 32 24.099 0.343 -0.729 1.00 55.10 H new ATOM 0 HG21 THR A 32 23.750 1.866 -2.539 1.00 22.12 H new ATOM 0 HG22 THR A 32 22.085 2.035 -3.143 1.00 22.12 H new ATOM 0 HG23 THR A 32 22.525 2.697 -1.551 1.00 22.12 H new ATOM 471 N ALA A 33 19.993 -0.942 -2.902 1.00 4.21 N ATOM 472 CA ALA A 33 19.213 -1.313 -4.076 1.00 21.13 C ATOM 473 C ALA A 33 17.746 -0.936 -3.901 1.00 72.13 C ATOM 474 O ALA A 33 17.094 -0.487 -4.844 1.00 13.41 O ATOM 475 CB ALA A 33 19.348 -2.804 -4.349 1.00 41.33 C ATOM 0 H ALA A 33 20.531 -1.707 -2.494 1.00 4.21 H new ATOM 0 HA ALA A 33 19.603 -0.761 -4.931 1.00 21.13 H new ATOM 0 HB1 ALA A 33 18.760 -3.068 -5.228 1.00 41.33 H new ATOM 0 HB2 ALA A 33 20.395 -3.048 -4.526 1.00 41.33 H new ATOM 0 HB3 ALA A 33 18.985 -3.366 -3.488 1.00 41.33 H new ATOM 481 N PHE A 34 17.232 -1.123 -2.690 1.00 52.41 N ATOM 482 CA PHE A 34 15.840 -0.803 -2.393 1.00 23.53 C ATOM 483 C PHE A 34 15.613 0.705 -2.407 1.00 43.40 C ATOM 484 O PHE A 34 14.516 1.176 -2.705 1.00 60.14 O ATOM 485 CB PHE A 34 15.443 -1.377 -1.031 1.00 60.42 C ATOM 486 CG PHE A 34 13.973 -1.656 -0.904 1.00 74.42 C ATOM 487 CD1 PHE A 34 13.358 -2.589 -1.724 1.00 13.01 C ATOM 488 CD2 PHE A 34 13.206 -0.987 0.035 1.00 15.53 C ATOM 489 CE1 PHE A 34 12.005 -2.847 -1.610 1.00 13.14 C ATOM 490 CE2 PHE A 34 11.852 -1.241 0.155 1.00 41.45 C ATOM 491 CZ PHE A 34 11.251 -2.173 -0.668 1.00 42.24 C ATOM 0 H PHE A 34 17.758 -1.494 -1.899 1.00 52.41 H new ATOM 0 HA PHE A 34 15.217 -1.253 -3.166 1.00 23.53 H new ATOM 0 HB2 PHE A 34 15.996 -2.300 -0.860 1.00 60.42 H new ATOM 0 HB3 PHE A 34 15.741 -0.677 -0.250 1.00 60.42 H new ATOM 0 HD1 PHE A 34 13.943 -3.120 -2.460 1.00 13.01 H new ATOM 0 HD2 PHE A 34 13.671 -0.258 0.682 1.00 15.53 H new ATOM 0 HE1 PHE A 34 11.537 -3.575 -2.257 1.00 13.14 H new ATOM 0 HE2 PHE A 34 11.265 -0.711 0.891 1.00 41.45 H new ATOM 0 HZ PHE A 34 10.194 -2.375 -0.576 1.00 42.24 H new ATOM 501 N ALA A 35 16.659 1.458 -2.082 1.00 1.13 N ATOM 502 CA ALA A 35 16.575 2.913 -2.058 1.00 43.22 C ATOM 503 C ALA A 35 16.745 3.495 -3.457 1.00 44.43 C ATOM 504 O ALA A 35 16.339 4.626 -3.723 1.00 15.01 O ATOM 505 CB ALA A 35 17.622 3.487 -1.115 1.00 20.02 C ATOM 0 H ALA A 35 17.574 1.084 -1.832 1.00 1.13 H new ATOM 0 HA ALA A 35 15.585 3.189 -1.695 1.00 43.22 H new ATOM 0 HB1 ALA A 35 17.548 4.574 -1.107 1.00 20.02 H new ATOM 0 HB2 ALA A 35 17.454 3.105 -0.108 1.00 20.02 H new ATOM 0 HB3 ALA A 35 18.616 3.194 -1.453 1.00 20.02 H new ATOM 511 N ALA A 36 17.350 2.716 -4.348 1.00 53.11 N ATOM 512 CA ALA A 36 17.572 3.154 -5.720 1.00 43.43 C ATOM 513 C ALA A 36 16.315 2.974 -6.565 1.00 5.31 C ATOM 514 O ALA A 36 16.186 3.568 -7.636 1.00 11.01 O ATOM 515 CB ALA A 36 18.737 2.393 -6.335 1.00 43.12 C ATOM 0 H ALA A 36 17.695 1.778 -4.144 1.00 53.11 H new ATOM 0 HA ALA A 36 17.816 4.216 -5.701 1.00 43.43 H new ATOM 0 HB1 ALA A 36 18.891 2.730 -7.360 1.00 43.12 H new ATOM 0 HB2 ALA A 36 19.640 2.577 -5.752 1.00 43.12 H new ATOM 0 HB3 ALA A 36 18.516 1.326 -6.334 1.00 43.12 H new ATOM 521 N ILE A 37 15.393 2.152 -6.077 1.00 22.32 N ATOM 522 CA ILE A 37 14.147 1.894 -6.787 1.00 52.44 C ATOM 523 C ILE A 37 12.986 2.654 -6.154 1.00 20.32 C ATOM 524 O ILE A 37 11.969 2.907 -6.800 1.00 74.33 O ATOM 525 CB ILE A 37 13.811 0.391 -6.810 1.00 4.55 C ATOM 526 CG1 ILE A 37 13.814 -0.175 -5.388 1.00 51.12 C ATOM 527 CG2 ILE A 37 14.802 -0.359 -7.687 1.00 21.44 C ATOM 528 CD1 ILE A 37 12.869 -1.342 -5.201 1.00 4.51 C ATOM 0 H ILE A 37 15.485 1.653 -5.192 1.00 22.32 H new ATOM 0 HA ILE A 37 14.290 2.241 -7.810 1.00 52.44 H new ATOM 0 HB ILE A 37 12.814 0.262 -7.230 1.00 4.55 H new ATOM 0 HG12 ILE A 37 14.825 -0.492 -5.134 1.00 51.12 H new ATOM 0 HG13 ILE A 37 13.543 0.617 -4.690 1.00 51.12 H new ATOM 0 HG21 ILE A 37 14.552 -1.420 -7.693 1.00 21.44 H new ATOM 0 HG22 ILE A 37 14.756 0.031 -8.704 1.00 21.44 H new ATOM 0 HG23 ILE A 37 15.810 -0.226 -7.293 1.00 21.44 H new ATOM 0 HD11 ILE A 37 12.923 -1.692 -4.170 1.00 4.51 H new ATOM 0 HD12 ILE A 37 11.850 -1.024 -5.423 1.00 4.51 H new ATOM 0 HD13 ILE A 37 13.152 -2.151 -5.874 1.00 4.51 H new ATOM 540 N LEU A 38 13.146 3.016 -4.886 1.00 15.32 N ATOM 541 CA LEU A 38 12.111 3.749 -4.164 1.00 3.42 C ATOM 542 C LEU A 38 12.500 5.215 -3.995 1.00 32.31 C ATOM 543 O LEU A 38 11.659 6.059 -3.688 1.00 23.12 O ATOM 544 CB LEU A 38 11.869 3.113 -2.794 1.00 64.11 C ATOM 545 CG LEU A 38 10.808 2.013 -2.743 1.00 3.00 C ATOM 546 CD1 LEU A 38 11.386 0.692 -3.226 1.00 75.35 C ATOM 547 CD2 LEU A 38 10.255 1.871 -1.333 1.00 13.14 C ATOM 0 H LEU A 38 13.981 2.814 -4.337 1.00 15.32 H new ATOM 0 HA LEU A 38 11.192 3.700 -4.748 1.00 3.42 H new ATOM 0 HB2 LEU A 38 12.811 2.698 -2.437 1.00 64.11 H new ATOM 0 HB3 LEU A 38 11.582 3.900 -2.096 1.00 64.11 H new ATOM 0 HG LEU A 38 9.990 2.293 -3.406 1.00 3.00 H new ATOM 0 HD11 LEU A 38 10.617 -0.079 -3.183 1.00 75.35 H new ATOM 0 HD12 LEU A 38 11.733 0.801 -4.253 1.00 75.35 H new ATOM 0 HD13 LEU A 38 12.223 0.406 -2.588 1.00 75.35 H new ATOM 0 HD21 LEU A 38 9.501 1.084 -1.315 1.00 13.14 H new ATOM 0 HD22 LEU A 38 11.064 1.614 -0.649 1.00 13.14 H new ATOM 0 HD23 LEU A 38 9.803 2.813 -1.023 1.00 13.14 H new ATOM 559 N GLY A 39 13.780 5.510 -4.200 1.00 20.11 N ATOM 560 CA GLY A 39 14.257 6.874 -4.068 1.00 1.02 C ATOM 561 C GLY A 39 14.146 7.655 -5.362 1.00 64.12 C ATOM 562 O GLY A 39 14.568 8.809 -5.438 1.00 0.14 O ATOM 0 H GLY A 39 14.495 4.829 -4.455 1.00 20.11 H new ATOM 0 HA2 GLY A 39 13.686 7.382 -3.291 1.00 1.02 H new ATOM 0 HA3 GLY A 39 15.297 6.862 -3.743 1.00 1.02 H new ATOM 566 N VAL A 40 13.579 7.024 -6.385 1.00 52.14 N ATOM 567 CA VAL A 40 13.414 7.667 -7.684 1.00 24.13 C ATOM 568 C VAL A 40 11.993 8.189 -7.863 1.00 22.44 C ATOM 569 O VAL A 40 11.777 9.243 -8.462 1.00 30.34 O ATOM 570 CB VAL A 40 13.743 6.698 -8.835 1.00 53.13 C ATOM 571 CG1 VAL A 40 12.947 5.410 -8.693 1.00 33.22 C ATOM 572 CG2 VAL A 40 13.471 7.357 -10.179 1.00 75.22 C ATOM 0 H VAL A 40 13.226 6.068 -6.340 1.00 52.14 H new ATOM 0 HA VAL A 40 14.111 8.505 -7.714 1.00 24.13 H new ATOM 0 HB VAL A 40 14.803 6.449 -8.786 1.00 53.13 H new ATOM 0 HG11 VAL A 40 13.193 4.738 -9.515 1.00 33.22 H new ATOM 0 HG12 VAL A 40 13.196 4.931 -7.746 1.00 33.22 H new ATOM 0 HG13 VAL A 40 11.881 5.637 -8.716 1.00 33.22 H new ATOM 0 HG21 VAL A 40 13.709 6.659 -10.981 1.00 75.22 H new ATOM 0 HG22 VAL A 40 12.419 7.637 -10.241 1.00 75.22 H new ATOM 0 HG23 VAL A 40 14.090 8.249 -10.279 1.00 75.22 H new ATOM 582 N THR A 41 11.025 7.444 -7.339 1.00 33.45 N ATOM 583 CA THR A 41 9.623 7.830 -7.440 1.00 62.15 C ATOM 584 C THR A 41 8.943 7.797 -6.077 1.00 21.24 C ATOM 585 O THR A 41 8.166 8.690 -5.737 1.00 72.01 O ATOM 586 CB THR A 41 8.855 6.908 -8.407 1.00 3.41 C ATOM 587 OG1 THR A 41 7.461 7.236 -8.393 1.00 5.21 O ATOM 588 CG2 THR A 41 9.042 5.448 -8.025 1.00 32.22 C ATOM 0 H THR A 41 11.186 6.569 -6.840 1.00 33.45 H new ATOM 0 HA THR A 41 9.603 8.849 -7.827 1.00 62.15 H new ATOM 0 HB THR A 41 9.253 7.058 -9.411 1.00 3.41 H new ATOM 0 HG1 THR A 41 6.980 6.647 -9.011 1.00 5.21 H new ATOM 0 HG21 THR A 41 8.491 4.816 -8.722 1.00 32.22 H new ATOM 0 HG22 THR A 41 10.101 5.194 -8.065 1.00 32.22 H new ATOM 0 HG23 THR A 41 8.668 5.286 -7.014 1.00 32.22 H new ATOM 596 N LEU A 42 9.240 6.763 -5.298 1.00 23.44 N ATOM 597 CA LEU A 42 8.658 6.613 -3.969 1.00 14.44 C ATOM 598 C LEU A 42 9.266 7.615 -2.992 1.00 14.01 C ATOM 599 O LEU A 42 10.319 8.202 -3.241 1.00 70.44 O ATOM 600 CB LEU A 42 8.870 5.189 -3.454 1.00 21.30 C ATOM 601 CG LEU A 42 7.729 4.204 -3.714 1.00 4.12 C ATOM 602 CD1 LEU A 42 7.929 3.495 -5.044 1.00 62.22 C ATOM 603 CD2 LEU A 42 7.627 3.195 -2.579 1.00 41.04 C ATOM 0 H LEU A 42 9.881 6.015 -5.564 1.00 23.44 H new ATOM 0 HA LEU A 42 7.588 6.809 -4.044 1.00 14.44 H new ATOM 0 HB2 LEU A 42 9.777 4.791 -3.908 1.00 21.30 H new ATOM 0 HB3 LEU A 42 9.046 5.235 -2.379 1.00 21.30 H new ATOM 0 HG LEU A 42 6.795 4.763 -3.761 1.00 4.12 H new ATOM 0 HD11 LEU A 42 7.108 2.798 -5.212 1.00 62.22 H new ATOM 0 HD12 LEU A 42 7.952 4.230 -5.848 1.00 62.22 H new ATOM 0 HD13 LEU A 42 8.871 2.948 -5.026 1.00 62.22 H new ATOM 0 HD21 LEU A 42 6.810 2.502 -2.781 1.00 41.04 H new ATOM 0 HD22 LEU A 42 8.562 2.640 -2.500 1.00 41.04 H new ATOM 0 HD23 LEU A 42 7.436 3.719 -1.643 1.00 41.04 H new ATOM 615 N PRO A 43 8.589 7.815 -1.851 1.00 52.23 N ATOM 616 CA PRO A 43 9.045 8.744 -0.813 1.00 21.43 C ATOM 617 C PRO A 43 10.296 8.244 -0.098 1.00 11.14 C ATOM 618 O PRO A 43 10.889 7.240 -0.492 1.00 53.51 O ATOM 619 CB PRO A 43 7.862 8.801 0.157 1.00 71.33 C ATOM 620 CG PRO A 43 7.150 7.506 -0.037 1.00 45.22 C ATOM 621 CD PRO A 43 7.326 7.150 -1.488 1.00 3.34 C ATOM 0 HA PRO A 43 9.322 9.714 -1.227 1.00 21.43 H new ATOM 0 HB2 PRO A 43 8.200 8.917 1.187 1.00 71.33 H new ATOM 0 HB3 PRO A 43 7.211 9.647 -0.062 1.00 71.33 H new ATOM 0 HG2 PRO A 43 7.566 6.732 0.608 1.00 45.22 H new ATOM 0 HG3 PRO A 43 6.094 7.599 0.217 1.00 45.22 H new ATOM 0 HD2 PRO A 43 7.384 6.071 -1.633 1.00 3.34 H new ATOM 0 HD3 PRO A 43 6.494 7.509 -2.094 1.00 3.34 H new ATOM 629 N ALA A 44 10.692 8.951 0.956 1.00 34.11 N ATOM 630 CA ALA A 44 11.871 8.577 1.727 1.00 14.34 C ATOM 631 C ALA A 44 11.484 7.791 2.975 1.00 33.13 C ATOM 632 O ALA A 44 12.172 6.847 3.364 1.00 71.04 O ATOM 633 CB ALA A 44 12.667 9.817 2.108 1.00 33.21 C ATOM 0 H ALA A 44 10.213 9.786 1.295 1.00 34.11 H new ATOM 0 HA ALA A 44 12.494 7.935 1.104 1.00 14.34 H new ATOM 0 HB1 ALA A 44 13.545 9.523 2.684 1.00 33.21 H new ATOM 0 HB2 ALA A 44 12.983 10.338 1.204 1.00 33.21 H new ATOM 0 HB3 ALA A 44 12.044 10.479 2.709 1.00 33.21 H new ATOM 639 N TRP A 45 10.380 8.186 3.599 1.00 11.11 N ATOM 640 CA TRP A 45 9.902 7.518 4.804 1.00 23.33 C ATOM 641 C TRP A 45 9.615 6.045 4.533 1.00 44.13 C ATOM 642 O TRP A 45 9.751 5.203 5.420 1.00 44.13 O ATOM 643 CB TRP A 45 8.642 8.207 5.329 1.00 0.33 C ATOM 644 CG TRP A 45 7.469 8.084 4.405 1.00 53.21 C ATOM 645 CD1 TRP A 45 7.048 9.004 3.487 1.00 3.23 C ATOM 646 CD2 TRP A 45 6.565 6.978 4.310 1.00 15.14 C ATOM 647 NE1 TRP A 45 5.937 8.537 2.828 1.00 60.40 N ATOM 648 CE2 TRP A 45 5.621 7.296 3.314 1.00 72.41 C ATOM 649 CE3 TRP A 45 6.461 5.750 4.969 1.00 64.13 C ATOM 650 CZ2 TRP A 45 4.589 6.429 2.963 1.00 12.15 C ATOM 651 CZ3 TRP A 45 5.436 4.891 4.620 1.00 4.20 C ATOM 652 CH2 TRP A 45 4.512 5.233 3.624 1.00 14.44 C ATOM 0 H TRP A 45 9.799 8.966 3.290 1.00 11.11 H new ATOM 0 HA TRP A 45 10.685 7.583 5.560 1.00 23.33 H new ATOM 0 HB2 TRP A 45 8.379 7.780 6.297 1.00 0.33 H new ATOM 0 HB3 TRP A 45 8.856 9.263 5.494 1.00 0.33 H new ATOM 0 HD1 TRP A 45 7.520 9.959 3.306 1.00 3.23 H new ATOM 0 HE1 TRP A 45 5.430 9.034 2.096 1.00 60.40 H new ATOM 0 HE3 TRP A 45 7.169 5.477 5.737 1.00 64.13 H new ATOM 0 HZ2 TRP A 45 3.875 6.691 2.196 1.00 12.15 H new ATOM 0 HZ3 TRP A 45 5.346 3.940 5.124 1.00 4.20 H new ATOM 0 HH2 TRP A 45 3.723 4.539 3.373 1.00 14.44 H new ATOM 663 N ALA A 46 9.218 5.741 3.301 1.00 1.34 N ATOM 664 CA ALA A 46 8.914 4.370 2.913 1.00 24.53 C ATOM 665 C ALA A 46 10.062 3.431 3.270 1.00 44.24 C ATOM 666 O ALA A 46 9.843 2.324 3.763 1.00 12.20 O ATOM 667 CB ALA A 46 8.614 4.297 1.424 1.00 74.24 C ATOM 0 H ALA A 46 9.100 6.427 2.555 1.00 1.34 H new ATOM 0 HA ALA A 46 8.031 4.049 3.466 1.00 24.53 H new ATOM 0 HB1 ALA A 46 8.389 3.267 1.148 1.00 74.24 H new ATOM 0 HB2 ALA A 46 7.757 4.930 1.194 1.00 74.24 H new ATOM 0 HB3 ALA A 46 9.481 4.642 0.861 1.00 74.24 H new ATOM 673 N LEU A 47 11.287 3.880 3.016 1.00 30.44 N ATOM 674 CA LEU A 47 12.471 3.079 3.310 1.00 12.20 C ATOM 675 C LEU A 47 12.529 2.716 4.790 1.00 33.52 C ATOM 676 O LEU A 47 13.031 1.654 5.160 1.00 54.45 O ATOM 677 CB LEU A 47 13.737 3.839 2.910 1.00 55.31 C ATOM 678 CG LEU A 47 13.732 4.464 1.514 1.00 34.31 C ATOM 679 CD1 LEU A 47 15.083 5.087 1.204 1.00 45.25 C ATOM 680 CD2 LEU A 47 13.369 3.422 0.465 1.00 12.44 C ATOM 0 H LEU A 47 11.486 4.793 2.608 1.00 30.44 H new ATOM 0 HA LEU A 47 12.409 2.158 2.731 1.00 12.20 H new ATOM 0 HB2 LEU A 47 13.907 4.630 3.640 1.00 55.31 H new ATOM 0 HB3 LEU A 47 14.583 3.156 2.977 1.00 55.31 H new ATOM 0 HG LEU A 47 12.978 5.251 1.491 1.00 34.31 H new ATOM 0 HD11 LEU A 47 15.061 5.527 0.207 1.00 45.25 H new ATOM 0 HD12 LEU A 47 15.303 5.862 1.938 1.00 45.25 H new ATOM 0 HD13 LEU A 47 15.856 4.319 1.245 1.00 45.25 H new ATOM 0 HD21 LEU A 47 13.370 3.884 -0.522 1.00 12.44 H new ATOM 0 HD22 LEU A 47 14.099 2.613 0.488 1.00 12.44 H new ATOM 0 HD23 LEU A 47 12.377 3.022 0.677 1.00 12.44 H new ATOM 692 N ALA A 48 12.010 3.603 5.633 1.00 71.41 N ATOM 693 CA ALA A 48 11.999 3.373 7.072 1.00 13.03 C ATOM 694 C ALA A 48 10.836 2.472 7.476 1.00 44.14 C ATOM 695 O ALA A 48 10.958 1.658 8.390 1.00 23.22 O ATOM 696 CB ALA A 48 11.925 4.698 7.817 1.00 25.44 C ATOM 0 H ALA A 48 11.592 4.487 5.344 1.00 71.41 H new ATOM 0 HA ALA A 48 12.926 2.867 7.341 1.00 13.03 H new ATOM 0 HB1 ALA A 48 11.917 4.512 8.891 1.00 25.44 H new ATOM 0 HB2 ALA A 48 12.791 5.308 7.561 1.00 25.44 H new ATOM 0 HB3 ALA A 48 11.013 5.224 7.534 1.00 25.44 H new ATOM 702 N ALA A 49 9.709 2.624 6.788 1.00 45.33 N ATOM 703 CA ALA A 49 8.526 1.823 7.074 1.00 52.32 C ATOM 704 C ALA A 49 8.789 0.344 6.815 1.00 35.42 C ATOM 705 O ALA A 49 8.151 -0.523 7.412 1.00 73.20 O ATOM 706 CB ALA A 49 7.348 2.306 6.240 1.00 31.21 C ATOM 0 H ALA A 49 9.591 3.295 6.029 1.00 45.33 H new ATOM 0 HA ALA A 49 8.283 1.942 8.130 1.00 52.32 H new ATOM 0 HB1 ALA A 49 6.471 1.699 6.464 1.00 31.21 H new ATOM 0 HB2 ALA A 49 7.138 3.349 6.477 1.00 31.21 H new ATOM 0 HB3 ALA A 49 7.591 2.217 5.181 1.00 31.21 H new ATOM 712 N ALA A 50 9.731 0.062 5.921 1.00 10.14 N ATOM 713 CA ALA A 50 10.079 -1.313 5.585 1.00 15.11 C ATOM 714 C ALA A 50 10.414 -2.116 6.837 1.00 34.41 C ATOM 715 O ALA A 50 10.195 -3.326 6.887 1.00 22.12 O ATOM 716 CB ALA A 50 11.247 -1.339 4.611 1.00 52.33 C ATOM 0 H ALA A 50 10.267 0.768 5.416 1.00 10.14 H new ATOM 0 HA ALA A 50 9.214 -1.775 5.110 1.00 15.11 H new ATOM 0 HB1 ALA A 50 11.496 -2.372 4.369 1.00 52.33 H new ATOM 0 HB2 ALA A 50 10.972 -0.809 3.699 1.00 52.33 H new ATOM 0 HB3 ALA A 50 12.111 -0.855 5.066 1.00 52.33 H new ATOM 722 N GLY A 51 10.946 -1.435 7.847 1.00 23.22 N ATOM 723 CA GLY A 51 11.304 -2.103 9.085 1.00 12.43 C ATOM 724 C GLY A 51 10.760 -1.388 10.307 1.00 63.22 C ATOM 725 O GLY A 51 11.440 -1.286 11.328 1.00 52.13 O ATOM 0 H GLY A 51 11.136 -0.433 7.830 1.00 23.22 H new ATOM 0 HA2 GLY A 51 10.924 -3.125 9.066 1.00 12.43 H new ATOM 0 HA3 GLY A 51 12.390 -2.168 9.159 1.00 12.43 H new ATOM 729 N ALA A 52 9.532 -0.891 10.202 1.00 22.21 N ATOM 730 CA ALA A 52 8.898 -0.183 11.307 1.00 0.00 C ATOM 731 C ALA A 52 7.390 -0.086 11.104 1.00 71.15 C ATOM 732 O ALA A 52 6.881 -0.364 10.017 1.00 55.11 O ATOM 733 CB ALA A 52 9.502 1.205 11.460 1.00 1.13 C ATOM 0 H ALA A 52 8.957 -0.966 9.363 1.00 22.21 H new ATOM 0 HA ALA A 52 9.079 -0.749 12.221 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.019 1.723 12.289 1.00 1.13 H new ATOM 0 HB2 ALA A 52 10.570 1.117 11.660 1.00 1.13 H new ATOM 0 HB3 ALA A 52 9.350 1.771 10.541 1.00 1.13 H new ATOM 739 N LEU A 53 6.680 0.309 12.155 1.00 60.43 N ATOM 740 CA LEU A 53 5.229 0.442 12.092 1.00 74.54 C ATOM 741 C LEU A 53 4.821 1.466 11.038 1.00 0.50 C ATOM 742 O LEU A 53 5.288 2.604 11.051 1.00 42.51 O ATOM 743 CB LEU A 53 4.674 0.849 13.458 1.00 42.33 C ATOM 744 CG LEU A 53 3.250 0.389 13.768 1.00 15.14 C ATOM 745 CD1 LEU A 53 2.269 0.973 12.763 1.00 32.14 C ATOM 746 CD2 LEU A 53 3.169 -1.131 13.774 1.00 42.51 C ATOM 0 H LEU A 53 7.086 0.543 13.061 1.00 60.43 H new ATOM 0 HA LEU A 53 4.812 -0.525 11.812 1.00 74.54 H new ATOM 0 HB2 LEU A 53 5.337 0.456 14.229 1.00 42.33 H new ATOM 0 HB3 LEU A 53 4.707 1.936 13.532 1.00 42.33 H new ATOM 0 HG LEU A 53 2.980 0.751 14.760 1.00 15.14 H new ATOM 0 HD11 LEU A 53 1.260 0.634 13.000 1.00 32.14 H new ATOM 0 HD12 LEU A 53 2.306 2.061 12.808 1.00 32.14 H new ATOM 0 HD13 LEU A 53 2.536 0.642 11.759 1.00 32.14 H new ATOM 0 HD21 LEU A 53 2.148 -1.440 13.997 1.00 42.51 H new ATOM 0 HD22 LEU A 53 3.459 -1.515 12.796 1.00 42.51 H new ATOM 0 HD23 LEU A 53 3.842 -1.528 14.534 1.00 42.51 H new ATOM 758 N GLY A 54 3.944 1.055 10.127 1.00 23.20 N ATOM 759 CA GLY A 54 3.487 1.950 9.080 1.00 34.23 C ATOM 760 C GLY A 54 2.929 1.205 7.884 1.00 54.12 C ATOM 761 O GLY A 54 2.444 0.082 8.014 1.00 33.44 O ATOM 0 H GLY A 54 3.542 0.118 10.095 1.00 23.20 H new ATOM 0 HA2 GLY A 54 2.720 2.613 9.482 1.00 34.23 H new ATOM 0 HA3 GLY A 54 4.316 2.580 8.757 1.00 34.23 H new ATOM 765 N ALA A 55 2.995 1.833 6.714 1.00 24.23 N ATOM 766 CA ALA A 55 2.493 1.222 5.490 1.00 41.23 C ATOM 767 C ALA A 55 3.319 -0.002 5.108 1.00 52.42 C ATOM 768 O ALA A 55 4.528 0.094 4.893 1.00 73.12 O ATOM 769 CB ALA A 55 2.493 2.237 4.356 1.00 65.54 C ATOM 0 H ALA A 55 3.391 2.764 6.589 1.00 24.23 H new ATOM 0 HA ALA A 55 1.469 0.894 5.670 1.00 41.23 H new ATOM 0 HB1 ALA A 55 2.116 1.768 3.447 1.00 65.54 H new ATOM 0 HB2 ALA A 55 1.854 3.079 4.622 1.00 65.54 H new ATOM 0 HB3 ALA A 55 3.509 2.592 4.186 1.00 65.54 H new ATOM 775 N THR A 56 2.659 -1.153 5.025 1.00 0.24 N ATOM 776 CA THR A 56 3.332 -2.396 4.671 1.00 3.03 C ATOM 777 C THR A 56 2.724 -3.012 3.417 1.00 63.53 C ATOM 778 O THR A 56 3.431 -3.594 2.594 1.00 3.22 O ATOM 779 CB THR A 56 3.261 -3.420 5.819 1.00 33.44 C ATOM 780 OG1 THR A 56 3.894 -4.643 5.425 1.00 12.24 O ATOM 781 CG2 THR A 56 1.817 -3.694 6.211 1.00 75.52 C ATOM 0 H THR A 56 1.659 -1.250 5.198 1.00 0.24 H new ATOM 0 HA THR A 56 4.376 -2.147 4.481 1.00 3.03 H new ATOM 0 HB THR A 56 3.782 -3.003 6.681 1.00 33.44 H new ATOM 0 HG1 THR A 56 3.846 -5.288 6.161 1.00 12.24 H new ATOM 0 HG21 THR A 56 1.792 -4.420 7.024 1.00 75.52 H new ATOM 0 HG22 THR A 56 1.347 -2.767 6.538 1.00 75.52 H new ATOM 0 HG23 THR A 56 1.276 -4.092 5.352 1.00 75.52 H new ATOM 789 N ALA A 57 1.409 -2.881 3.276 1.00 23.11 N ATOM 790 CA ALA A 57 0.707 -3.423 2.120 1.00 72.33 C ATOM 791 C ALA A 57 -0.052 -2.330 1.376 1.00 14.42 C ATOM 792 O ALA A 57 -0.592 -2.561 0.295 1.00 43.25 O ATOM 793 CB ALA A 57 -0.245 -4.529 2.551 1.00 21.22 C ATOM 0 H ALA A 57 0.809 -2.404 3.949 1.00 23.11 H new ATOM 0 HA ALA A 57 1.449 -3.841 1.440 1.00 72.33 H new ATOM 0 HB1 ALA A 57 -0.763 -4.925 1.677 1.00 21.22 H new ATOM 0 HB2 ALA A 57 0.319 -5.328 3.031 1.00 21.22 H new ATOM 0 HB3 ALA A 57 -0.975 -4.127 3.254 1.00 21.22 H new ATOM 799 N ALA A 58 -0.091 -1.138 1.964 1.00 61.21 N ATOM 800 CA ALA A 58 -0.783 -0.009 1.356 1.00 12.41 C ATOM 801 C ALA A 58 -0.107 0.415 0.057 1.00 44.31 C ATOM 802 O ALA A 58 -0.758 0.543 -0.981 1.00 31.15 O ATOM 803 CB ALA A 58 -0.842 1.160 2.329 1.00 64.03 C ATOM 0 H ALA A 58 0.349 -0.930 2.861 1.00 61.21 H new ATOM 0 HA ALA A 58 -1.800 -0.323 1.120 1.00 12.41 H new ATOM 0 HB1 ALA A 58 -1.362 1.996 1.862 1.00 64.03 H new ATOM 0 HB2 ALA A 58 -1.377 0.858 3.229 1.00 64.03 H new ATOM 0 HB3 ALA A 58 0.171 1.464 2.594 1.00 64.03 H new