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+ -121:sc= -0.0825 (180deg=-0.571) USER MOD Single : A 2 TYR OH : rot 165:sc= -0.812 USER MOD Single : A 7 GLN : amide:sc= -0.606 K(o=-0.61,f=-4.1!) USER MOD Single : A 11 HIS : no HD1:sc= -0.043 X(o=-0.043,f=-0.51) USER MOD Single : A 14 THR OG1 : rot -44:sc= 1.03 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0198) 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 -120:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.368 -0.038 0.444 1.00 60.21 N ATOM 2 CA ILE A 1 2.154 0.268 -0.745 1.00 55.30 C ATOM 3 C ILE A 1 2.003 -0.823 -1.800 1.00 11.42 C ATOM 4 O ILE A 1 2.094 -0.558 -2.999 1.00 35.21 O ATOM 5 CB ILE A 1 3.646 0.436 -0.406 1.00 24.03 C ATOM 6 CG1 ILE A 1 3.839 1.577 0.595 1.00 3.03 C ATOM 7 CG2 ILE A 1 4.452 0.692 -1.671 1.00 14.22 C ATOM 8 CD1 ILE A 1 3.466 2.935 0.043 1.00 32.21 C ATOM 0 H1 ILE A 1 0.683 0.726 0.614 1.00 60.21 H new ATOM 0 HA ILE A 1 1.772 1.209 -1.142 1.00 55.30 H new ATOM 0 HB ILE A 1 4.005 -0.487 0.050 1.00 24.03 H new ATOM 0 HG12 ILE A 1 3.238 1.377 1.482 1.00 3.03 H new ATOM 0 HG13 ILE A 1 4.881 1.597 0.914 1.00 3.03 H new ATOM 0 HG21 ILE A 1 5.505 0.809 -1.414 1.00 14.22 H new ATOM 0 HG22 ILE A 1 4.336 -0.150 -2.353 1.00 14.22 H new ATOM 0 HG23 ILE A 1 4.093 1.601 -2.153 1.00 14.22 H new ATOM 0 HD11 ILE A 1 3.628 3.695 0.807 1.00 32.21 H new ATOM 0 HD12 ILE A 1 4.085 3.157 -0.827 1.00 32.21 H new ATOM 0 HD13 ILE A 1 2.416 2.933 -0.250 1.00 32.21 H new ATOM 20 N TYR A 2 1.771 -2.049 -1.345 1.00 52.03 N ATOM 21 CA TYR A 2 1.608 -3.181 -2.250 1.00 32.15 C ATOM 22 C TYR A 2 0.215 -3.185 -2.871 1.00 74.44 C ATOM 23 O TYR A 2 -0.095 -4.020 -3.721 1.00 70.34 O ATOM 24 CB TYR A 2 1.850 -4.495 -1.504 1.00 51.15 C ATOM 25 CG TYR A 2 3.312 -4.859 -1.378 1.00 50.14 C ATOM 26 CD1 TYR A 2 4.091 -4.340 -0.352 1.00 2.53 C ATOM 27 CD2 TYR A 2 3.915 -5.721 -2.286 1.00 35.10 C ATOM 28 CE1 TYR A 2 5.428 -4.669 -0.233 1.00 13.32 C ATOM 29 CE2 TYR A 2 5.250 -6.057 -2.174 1.00 12.10 C ATOM 30 CZ TYR A 2 6.002 -5.528 -1.146 1.00 22.00 C ATOM 31 OH TYR A 2 7.333 -5.859 -1.032 1.00 10.02 O ATOM 0 H TYR A 2 1.692 -2.285 -0.356 1.00 52.03 H new ATOM 0 HA TYR A 2 2.342 -3.084 -3.050 1.00 32.15 H new ATOM 0 HB2 TYR A 2 1.415 -4.423 -0.507 1.00 51.15 H new ATOM 0 HB3 TYR A 2 1.327 -5.299 -2.022 1.00 51.15 H new ATOM 0 HD1 TYR A 2 3.644 -3.668 0.365 1.00 2.53 H new ATOM 0 HD2 TYR A 2 3.330 -6.135 -3.093 1.00 35.10 H new ATOM 0 HE1 TYR A 2 6.020 -4.256 0.570 1.00 13.32 H new ATOM 0 HE2 TYR A 2 5.702 -6.730 -2.887 1.00 12.10 H new ATOM 0 HH TYR A 2 7.524 -6.642 -1.590 1.00 10.02 H new ATOM 41 N TRP A 3 -0.620 -2.247 -2.442 1.00 15.45 N ATOM 42 CA TRP A 3 -1.981 -2.141 -2.956 1.00 12.41 C ATOM 43 C TRP A 3 -2.138 -0.900 -3.828 1.00 73.13 C ATOM 44 O TRP A 3 -2.912 -0.898 -4.787 1.00 25.24 O ATOM 45 CB TRP A 3 -2.983 -2.097 -1.801 1.00 20.21 C ATOM 46 CG TRP A 3 -4.411 -2.061 -2.254 1.00 71.53 C ATOM 47 CD1 TRP A 3 -5.194 -3.131 -2.582 1.00 31.44 C ATOM 48 CD2 TRP A 3 -5.225 -0.897 -2.432 1.00 42.11 C ATOM 49 NE1 TRP A 3 -6.446 -2.702 -2.952 1.00 63.23 N ATOM 50 CE2 TRP A 3 -6.490 -1.336 -2.868 1.00 54.32 C ATOM 51 CE3 TRP A 3 -5.008 0.473 -2.263 1.00 55.35 C ATOM 52 CZ2 TRP A 3 -7.532 -0.452 -3.138 1.00 60.11 C ATOM 53 CZ3 TRP A 3 -6.043 1.349 -2.532 1.00 71.00 C ATOM 54 CH2 TRP A 3 -7.292 0.884 -2.965 1.00 32.04 C ATOM 0 H TRP A 3 -0.379 -1.548 -1.739 1.00 15.45 H new ATOM 0 HA TRP A 3 -2.181 -3.021 -3.568 1.00 12.41 H new ATOM 0 HB2 TRP A 3 -2.833 -2.970 -1.166 1.00 20.21 H new ATOM 0 HB3 TRP A 3 -2.782 -1.218 -1.188 1.00 20.21 H new ATOM 0 HD1 TRP A 3 -4.876 -4.163 -2.555 1.00 31.44 H new ATOM 0 HE1 TRP A 3 -7.217 -3.303 -3.242 1.00 63.23 H new ATOM 0 HE3 TRP A 3 -4.049 0.841 -1.928 1.00 55.35 H new ATOM 0 HZ2 TRP A 3 -8.495 -0.808 -3.472 1.00 60.11 H new ATOM 0 HZ3 TRP A 3 -5.886 2.410 -2.406 1.00 71.00 H new ATOM 0 HH2 TRP A 3 -8.081 1.594 -3.166 1.00 32.04 H new ATOM 65 N ILE A 4 -1.401 0.152 -3.491 1.00 1.51 N ATOM 66 CA ILE A 4 -1.458 1.398 -4.245 1.00 55.33 C ATOM 67 C ILE A 4 -0.700 1.279 -5.563 1.00 25.15 C ATOM 68 O ILE A 4 -1.069 1.895 -6.562 1.00 33.23 O ATOM 69 CB ILE A 4 -0.878 2.574 -3.436 1.00 75.44 C ATOM 70 CG1 ILE A 4 -1.746 2.853 -2.208 1.00 34.03 C ATOM 71 CG2 ILE A 4 -0.771 3.815 -4.309 1.00 40.21 C ATOM 72 CD1 ILE A 4 -1.020 2.651 -0.896 1.00 40.03 C ATOM 0 H ILE A 4 -0.757 0.167 -2.700 1.00 1.51 H new ATOM 0 HA ILE A 4 -2.510 1.594 -4.450 1.00 55.33 H new ATOM 0 HB ILE A 4 0.122 2.305 -3.097 1.00 75.44 H new ATOM 0 HG12 ILE A 4 -2.112 3.879 -2.257 1.00 34.03 H new ATOM 0 HG13 ILE A 4 -2.619 2.201 -2.235 1.00 34.03 H new ATOM 0 HG21 ILE A 4 -0.360 4.637 -3.724 1.00 40.21 H new ATOM 0 HG22 ILE A 4 -0.116 3.609 -5.156 1.00 40.21 H new ATOM 0 HG23 ILE A 4 -1.761 4.089 -4.674 1.00 40.21 H new ATOM 0 HD11 ILE A 4 -1.696 2.867 -0.069 1.00 40.03 H new ATOM 0 HD12 ILE A 4 -0.677 1.619 -0.825 1.00 40.03 H new ATOM 0 HD13 ILE A 4 -0.162 3.322 -0.848 1.00 40.03 H new ATOM 84 N ALA A 5 0.363 0.481 -5.557 1.00 20.44 N ATOM 85 CA ALA A 5 1.172 0.277 -6.752 1.00 20.11 C ATOM 86 C ALA A 5 0.389 -0.475 -7.823 1.00 41.42 C ATOM 87 O ALA A 5 0.767 -0.476 -8.995 1.00 32.40 O ATOM 88 CB ALA A 5 2.448 -0.475 -6.403 1.00 43.45 C ATOM 0 H ALA A 5 0.684 -0.035 -4.737 1.00 20.44 H new ATOM 0 HA ALA A 5 1.438 1.255 -7.153 1.00 20.11 H new ATOM 0 HB1 ALA A 5 3.043 -0.621 -7.305 1.00 43.45 H new ATOM 0 HB2 ALA A 5 3.023 0.101 -5.678 1.00 43.45 H new ATOM 0 HB3 ALA A 5 2.193 -1.445 -5.976 1.00 43.45 H new ATOM 94 N ASP A 6 -0.702 -1.112 -7.414 1.00 30.21 N ATOM 95 CA ASP A 6 -1.539 -1.867 -8.339 1.00 63.52 C ATOM 96 C ASP A 6 -2.664 -0.996 -8.889 1.00 64.45 C ATOM 97 O ASP A 6 -2.679 -0.661 -10.074 1.00 23.45 O ATOM 98 CB ASP A 6 -2.123 -3.098 -7.644 1.00 12.13 C ATOM 99 CG ASP A 6 -1.167 -4.275 -7.649 1.00 13.41 C ATOM 100 OD1 ASP A 6 0.052 -4.049 -7.505 1.00 1.55 O ATOM 101 OD2 ASP A 6 -1.639 -5.422 -7.798 1.00 44.32 O ATOM 0 H ASP A 6 -1.028 -1.121 -6.447 1.00 30.21 H new ATOM 0 HA ASP A 6 -0.915 -2.192 -9.172 1.00 63.52 H new ATOM 0 HB2 ASP A 6 -2.377 -2.844 -6.615 1.00 12.13 H new ATOM 0 HB3 ASP A 6 -3.051 -3.385 -8.139 1.00 12.13 H new ATOM 106 N GLN A 7 -3.603 -0.635 -8.022 1.00 14.30 N ATOM 107 CA GLN A 7 -4.733 0.196 -8.422 1.00 70.24 C ATOM 108 C GLN A 7 -4.254 1.483 -9.086 1.00 13.04 C ATOM 109 O GLN A 7 -4.538 1.732 -10.257 1.00 42.44 O ATOM 110 CB GLN A 7 -5.605 0.527 -7.210 1.00 71.50 C ATOM 111 CG GLN A 7 -6.137 -0.702 -6.490 1.00 32.10 C ATOM 112 CD GLN A 7 -7.242 -1.397 -7.261 1.00 32.34 C ATOM 113 OE1 GLN A 7 -7.107 -1.668 -8.454 1.00 62.50 O ATOM 114 NE2 GLN A 7 -8.345 -1.690 -6.581 1.00 24.13 N ATOM 0 H GLN A 7 -3.605 -0.904 -7.038 1.00 14.30 H new ATOM 0 HA GLN A 7 -5.326 -0.365 -9.144 1.00 70.24 H new ATOM 0 HB2 GLN A 7 -5.025 1.126 -6.508 1.00 71.50 H new ATOM 0 HB3 GLN A 7 -6.446 1.140 -7.534 1.00 71.50 H new ATOM 0 HG2 GLN A 7 -5.319 -1.403 -6.323 1.00 32.10 H new ATOM 0 HG3 GLN A 7 -6.512 -0.410 -5.509 1.00 32.10 H new ATOM 0 HE21 GLN A 7 -8.415 -1.447 -5.593 1.00 24.13 H new ATOM 0 HE22 GLN A 7 -9.122 -2.158 -7.047 1.00 24.13 H new ATOM 123 N PHE A 8 -3.527 2.298 -8.328 1.00 72.14 N ATOM 124 CA PHE A 8 -3.010 3.561 -8.842 1.00 60.34 C ATOM 125 C PHE A 8 -1.773 3.331 -9.705 1.00 64.21 C ATOM 126 O PHE A 8 -1.817 3.477 -10.926 1.00 14.32 O ATOM 127 CB PHE A 8 -2.672 4.506 -7.687 1.00 62.44 C ATOM 128 CG PHE A 8 -3.821 4.739 -6.748 1.00 45.53 C ATOM 129 CD1 PHE A 8 -4.117 3.822 -5.753 1.00 71.14 C ATOM 130 CD2 PHE A 8 -4.604 5.877 -6.861 1.00 30.32 C ATOM 131 CE1 PHE A 8 -5.173 4.034 -4.887 1.00 52.23 C ATOM 132 CE2 PHE A 8 -5.661 6.095 -5.997 1.00 70.55 C ATOM 133 CZ PHE A 8 -5.947 5.172 -5.010 1.00 62.43 C ATOM 0 H PHE A 8 -3.283 2.106 -7.356 1.00 72.14 H new ATOM 0 HA PHE A 8 -3.783 4.017 -9.460 1.00 60.34 H new ATOM 0 HB2 PHE A 8 -1.832 4.096 -7.126 1.00 62.44 H new ATOM 0 HB3 PHE A 8 -2.346 5.463 -8.094 1.00 62.44 H new ATOM 0 HD1 PHE A 8 -3.515 2.931 -5.653 1.00 71.14 H new ATOM 0 HD2 PHE A 8 -4.386 6.601 -7.632 1.00 30.32 H new ATOM 0 HE1 PHE A 8 -5.393 3.311 -4.115 1.00 52.23 H new ATOM 0 HE2 PHE A 8 -6.263 6.987 -6.094 1.00 70.55 H new ATOM 0 HZ PHE A 8 -6.774 5.339 -4.336 1.00 62.43 H new ATOM 143 N GLY A 9 -0.667 2.970 -9.060 1.00 72.21 N ATOM 144 CA GLY A 9 0.567 2.726 -9.783 1.00 3.11 C ATOM 145 C GLY A 9 1.155 3.994 -10.370 1.00 24.20 C ATOM 146 O GLY A 9 0.992 4.269 -11.559 1.00 61.21 O ATOM 0 H GLY A 9 -0.604 2.842 -8.050 1.00 72.21 H new ATOM 0 HA2 GLY A 9 1.294 2.269 -9.111 1.00 3.11 H new ATOM 0 HA3 GLY A 9 0.380 2.011 -10.584 1.00 3.11 H new ATOM 150 N ILE A 10 1.840 4.768 -9.535 1.00 52.51 N ATOM 151 CA ILE A 10 2.453 6.014 -9.979 1.00 2.13 C ATOM 152 C ILE A 10 3.926 5.811 -10.319 1.00 53.10 C ATOM 153 O ILE A 10 4.758 5.616 -9.432 1.00 73.55 O ATOM 154 CB ILE A 10 2.332 7.114 -8.907 1.00 64.14 C ATOM 155 CG1 ILE A 10 0.862 7.369 -8.570 1.00 72.25 C ATOM 156 CG2 ILE A 10 3.002 8.394 -9.385 1.00 13.03 C ATOM 157 CD1 ILE A 10 0.659 8.083 -7.253 1.00 11.23 C ATOM 0 H ILE A 10 1.984 4.555 -8.548 1.00 52.51 H new ATOM 0 HA ILE A 10 1.916 6.329 -10.874 1.00 2.13 H new ATOM 0 HB ILE A 10 2.839 6.777 -8.003 1.00 64.14 H new ATOM 0 HG12 ILE A 10 0.412 7.960 -9.368 1.00 72.25 H new ATOM 0 HG13 ILE A 10 0.333 6.416 -8.543 1.00 72.25 H new ATOM 0 HG21 ILE A 10 2.909 9.162 -8.617 1.00 13.03 H new ATOM 0 HG22 ILE A 10 4.057 8.202 -9.579 1.00 13.03 H new ATOM 0 HG23 ILE A 10 2.521 8.736 -10.301 1.00 13.03 H new ATOM 0 HD11 ILE A 10 -0.407 8.230 -7.079 1.00 11.23 H new ATOM 0 HD12 ILE A 10 1.079 7.483 -6.445 1.00 11.23 H new ATOM 0 HD13 ILE A 10 1.159 9.051 -7.283 1.00 11.23 H new ATOM 169 N HIS A 11 4.242 5.860 -11.609 1.00 55.53 N ATOM 170 CA HIS A 11 5.615 5.684 -12.067 1.00 40.45 C ATOM 171 C HIS A 11 6.213 4.396 -11.510 1.00 52.10 C ATOM 172 O HIS A 11 7.408 4.329 -11.220 1.00 20.51 O ATOM 173 CB HIS A 11 6.472 6.880 -11.650 1.00 15.21 C ATOM 174 CG HIS A 11 6.212 8.114 -12.458 1.00 12.20 C ATOM 175 ND1 HIS A 11 5.015 8.356 -13.099 1.00 62.01 N ATOM 176 CD2 HIS A 11 7.003 9.180 -12.726 1.00 35.32 C ATOM 177 CE1 HIS A 11 5.082 9.516 -13.728 1.00 33.12 C ATOM 178 NE2 HIS A 11 6.277 10.036 -13.517 1.00 2.42 N ATOM 0 H HIS A 11 3.566 6.020 -12.356 1.00 55.53 H new ATOM 0 HA HIS A 11 5.603 5.617 -13.155 1.00 40.45 H new ATOM 0 HB2 HIS A 11 6.288 7.099 -10.598 1.00 15.21 H new ATOM 0 HB3 HIS A 11 7.525 6.611 -11.741 1.00 15.21 H new ATOM 0 HD2 HIS A 11 8.016 9.329 -12.382 1.00 35.32 H new ATOM 0 HE1 HIS A 11 4.293 9.963 -14.315 1.00 33.12 H new ATOM 0 HE2 HIS A 11 6.607 10.929 -13.882 1.00 2.42 H new ATOM 186 N LEU A 12 5.374 3.376 -11.362 1.00 3.41 N ATOM 187 CA LEU A 12 5.820 2.090 -10.838 1.00 75.42 C ATOM 188 C LEU A 12 7.003 1.556 -11.639 1.00 71.11 C ATOM 189 O LEU A 12 6.991 1.574 -12.869 1.00 43.35 O ATOM 190 CB LEU A 12 4.671 1.079 -10.869 1.00 2.53 C ATOM 191 CG LEU A 12 5.064 -0.388 -10.694 1.00 75.15 C ATOM 192 CD1 LEU A 12 5.642 -0.625 -9.308 1.00 35.11 C ATOM 193 CD2 LEU A 12 3.864 -1.293 -10.936 1.00 62.02 C ATOM 0 H LEU A 12 4.382 3.415 -11.597 1.00 3.41 H new ATOM 0 HA LEU A 12 6.140 2.237 -9.806 1.00 75.42 H new ATOM 0 HB2 LEU A 12 3.962 1.341 -10.084 1.00 2.53 H new ATOM 0 HB3 LEU A 12 4.147 1.183 -11.819 1.00 2.53 H new ATOM 0 HG LEU A 12 5.831 -0.629 -11.430 1.00 75.15 H new ATOM 0 HD11 LEU A 12 5.916 -1.675 -9.203 1.00 35.11 H new ATOM 0 HD12 LEU A 12 6.527 -0.004 -9.172 1.00 35.11 H new ATOM 0 HD13 LEU A 12 4.898 -0.367 -8.554 1.00 35.11 H new ATOM 0 HD21 LEU A 12 4.161 -2.334 -10.807 1.00 62.02 H new ATOM 0 HD22 LEU A 12 3.076 -1.050 -10.224 1.00 62.02 H new ATOM 0 HD23 LEU A 12 3.495 -1.144 -11.951 1.00 62.02 H new ATOM 205 N ALA A 13 8.022 1.079 -10.932 1.00 62.22 N ATOM 206 CA ALA A 13 9.211 0.536 -11.577 1.00 23.30 C ATOM 207 C ALA A 13 9.123 -0.981 -11.702 1.00 63.52 C ATOM 208 O ALA A 13 9.730 -1.716 -10.922 1.00 20.02 O ATOM 209 CB ALA A 13 10.459 0.932 -10.802 1.00 64.22 C ATOM 0 H ALA A 13 8.048 1.058 -9.913 1.00 62.22 H new ATOM 0 HA ALA A 13 9.272 0.954 -12.582 1.00 23.30 H new ATOM 0 HB1 ALA A 13 11.339 0.520 -11.295 1.00 64.22 H new ATOM 0 HB2 ALA A 13 10.537 2.019 -10.769 1.00 64.22 H new ATOM 0 HB3 ALA A 13 10.396 0.542 -9.786 1.00 64.22 H new ATOM 215 N THR A 14 8.363 -1.446 -12.689 1.00 63.30 N ATOM 216 CA THR A 14 8.194 -2.876 -12.915 1.00 63.12 C ATOM 217 C THR A 14 9.174 -3.386 -13.966 1.00 20.12 C ATOM 218 O THR A 14 8.927 -4.398 -14.620 1.00 74.11 O ATOM 219 CB THR A 14 6.759 -3.208 -13.364 1.00 72.13 C ATOM 220 OG1 THR A 14 6.591 -4.627 -13.459 1.00 50.03 O ATOM 221 CG2 THR A 14 6.450 -2.565 -14.708 1.00 14.34 C ATOM 0 H THR A 14 7.855 -0.853 -13.345 1.00 63.30 H new ATOM 0 HA THR A 14 8.393 -3.372 -11.965 1.00 63.12 H new ATOM 0 HB THR A 14 6.068 -2.810 -12.621 1.00 72.13 H new ATOM 0 HG1 THR A 14 7.369 -5.019 -13.907 1.00 50.03 H new ATOM 0 HG21 THR A 14 5.431 -2.814 -15.005 1.00 14.34 H new ATOM 0 HG22 THR A 14 6.550 -1.483 -14.625 1.00 14.34 H new ATOM 0 HG23 THR A 14 7.147 -2.937 -15.458 1.00 14.34 H new ATOM 229 N GLY A 15 10.289 -2.678 -14.122 1.00 31.40 N ATOM 230 CA GLY A 15 11.290 -3.076 -15.095 1.00 33.02 C ATOM 231 C GLY A 15 12.341 -3.994 -14.503 1.00 72.12 C ATOM 232 O GLY A 15 12.640 -5.050 -15.062 1.00 2.01 O ATOM 0 H GLY A 15 10.517 -1.837 -13.592 1.00 31.40 H new ATOM 0 HA2 GLY A 15 10.801 -3.579 -15.930 1.00 33.02 H new ATOM 0 HA3 GLY A 15 11.774 -2.187 -15.498 1.00 33.02 H new ATOM 236 N THR A 16 12.905 -3.592 -13.369 1.00 2.43 N ATOM 237 CA THR A 16 13.931 -4.384 -12.702 1.00 40.23 C ATOM 238 C THR A 16 13.613 -4.562 -11.222 1.00 73.53 C ATOM 239 O THR A 16 13.809 -5.640 -10.661 1.00 43.11 O ATOM 240 CB THR A 16 15.321 -3.735 -12.842 1.00 61.01 C ATOM 241 OG1 THR A 16 15.608 -3.483 -14.222 1.00 74.13 O ATOM 242 CG2 THR A 16 16.399 -4.631 -12.251 1.00 35.34 C ATOM 0 H THR A 16 12.668 -2.722 -12.893 1.00 2.43 H new ATOM 0 HA THR A 16 13.943 -5.360 -13.188 1.00 40.23 H new ATOM 0 HB THR A 16 15.313 -2.792 -12.295 1.00 61.01 H new ATOM 0 HG1 THR A 16 16.493 -3.069 -14.302 1.00 74.13 H new ATOM 0 HG21 THR A 16 17.372 -4.152 -12.362 1.00 35.34 H new ATOM 0 HG22 THR A 16 16.195 -4.797 -11.193 1.00 35.34 H new ATOM 0 HG23 THR A 16 16.404 -5.587 -12.774 1.00 35.34 H new ATOM 250 N ALA A 17 13.119 -3.500 -10.595 1.00 43.44 N ATOM 251 CA ALA A 17 12.771 -3.541 -9.181 1.00 0.54 C ATOM 252 C ALA A 17 11.736 -4.625 -8.901 1.00 61.01 C ATOM 253 O ALA A 17 11.612 -5.102 -7.773 1.00 11.21 O ATOM 254 CB ALA A 17 12.253 -2.184 -8.725 1.00 63.30 C ATOM 0 H ALA A 17 12.951 -2.600 -11.045 1.00 43.44 H new ATOM 0 HA ALA A 17 13.673 -3.782 -8.618 1.00 0.54 H new ATOM 0 HB1 ALA A 17 11.997 -2.229 -7.667 1.00 63.30 H new ATOM 0 HB2 ALA A 17 13.024 -1.429 -8.880 1.00 63.30 H new ATOM 0 HB3 ALA A 17 11.367 -1.920 -9.302 1.00 63.30 H new ATOM 260 N ARG A 18 10.995 -5.010 -9.935 1.00 40.21 N ATOM 261 CA ARG A 18 9.969 -6.037 -9.800 1.00 3.13 C ATOM 262 C ARG A 18 10.587 -7.372 -9.396 1.00 21.43 C ATOM 263 O ARG A 18 10.113 -8.034 -8.472 1.00 22.20 O ATOM 264 CB ARG A 18 9.200 -6.195 -11.112 1.00 75.22 C ATOM 265 CG ARG A 18 8.284 -7.409 -11.139 1.00 45.51 C ATOM 266 CD ARG A 18 7.241 -7.344 -10.035 1.00 11.22 C ATOM 267 NE ARG A 18 6.319 -8.475 -10.086 1.00 22.51 N ATOM 268 CZ ARG A 18 5.158 -8.507 -9.442 1.00 55.33 C ATOM 269 NH1 ARG A 18 4.777 -7.474 -8.703 1.00 45.20 N ATOM 270 NH2 ARG A 18 4.373 -9.573 -9.538 1.00 41.30 N ATOM 0 H ARG A 18 11.086 -4.626 -10.876 1.00 40.21 H new ATOM 0 HA ARG A 18 9.278 -5.724 -9.017 1.00 3.13 H new ATOM 0 HB2 ARG A 18 8.606 -5.298 -11.285 1.00 75.22 H new ATOM 0 HB3 ARG A 18 9.912 -6.269 -11.934 1.00 75.22 H new ATOM 0 HG2 ARG A 18 7.787 -7.470 -12.107 1.00 45.51 H new ATOM 0 HG3 ARG A 18 8.877 -8.317 -11.028 1.00 45.51 H new ATOM 0 HD2 ARG A 18 7.740 -7.326 -9.066 1.00 11.22 H new ATOM 0 HD3 ARG A 18 6.679 -6.414 -10.121 1.00 11.22 H new ATOM 0 HE ARG A 18 6.581 -9.285 -10.647 1.00 22.51 H new ATOM 0 HH11 ARG A 18 5.376 -6.652 -8.628 1.00 45.20 H new ATOM 0 HH12 ARG A 18 3.885 -7.501 -8.210 1.00 45.20 H new ATOM 0 HH21 ARG A 18 4.661 -10.369 -10.107 1.00 41.30 H new ATOM 0 HH22 ARG A 18 3.482 -9.596 -9.043 1.00 41.30 H new ATOM 284 N LYS A 19 11.648 -7.763 -10.094 1.00 73.13 N ATOM 285 CA LYS A 19 12.332 -9.019 -9.809 1.00 50.33 C ATOM 286 C LYS A 19 12.864 -9.036 -8.380 1.00 21.11 C ATOM 287 O LYS A 19 13.045 -10.100 -7.787 1.00 21.42 O ATOM 288 CB LYS A 19 13.482 -9.232 -10.796 1.00 5.43 C ATOM 289 CG LYS A 19 13.045 -9.230 -12.250 1.00 52.12 C ATOM 290 CD LYS A 19 14.150 -8.729 -13.165 1.00 24.34 C ATOM 291 CE LYS A 19 13.917 -9.155 -14.606 1.00 51.10 C ATOM 292 NZ LYS A 19 12.651 -8.592 -15.152 1.00 61.34 N ATOM 0 H LYS A 19 12.053 -7.228 -10.862 1.00 73.13 H new ATOM 0 HA LYS A 19 11.612 -9.830 -9.919 1.00 50.33 H new ATOM 0 HB2 LYS A 19 14.226 -8.449 -10.648 1.00 5.43 H new ATOM 0 HB3 LYS A 19 13.969 -10.181 -10.573 1.00 5.43 H new ATOM 0 HG2 LYS A 19 12.757 -10.239 -12.545 1.00 52.12 H new ATOM 0 HG3 LYS A 19 12.163 -8.600 -12.365 1.00 52.12 H new ATOM 0 HD2 LYS A 19 14.204 -7.642 -13.110 1.00 24.34 H new ATOM 0 HD3 LYS A 19 15.110 -9.114 -12.822 1.00 24.34 H new ATOM 0 HE2 LYS A 19 14.755 -8.828 -15.222 1.00 51.10 H new ATOM 0 HE3 LYS A 19 13.885 -10.243 -14.663 1.00 51.10 H new ATOM 0 HZ1 LYS A 19 12.561 -8.849 -16.156 1.00 61.34 H new ATOM 0 HZ2 LYS A 19 11.843 -8.977 -14.623 1.00 61.34 H new ATOM 0 HZ3 LYS A 19 12.663 -7.556 -15.059 1.00 61.34 H new ATOM 306 N LEU A 20 13.112 -7.852 -7.831 1.00 53.13 N ATOM 307 CA LEU A 20 13.622 -7.731 -6.470 1.00 13.11 C ATOM 308 C LEU A 20 12.509 -7.951 -5.450 1.00 40.30 C ATOM 309 O LEU A 20 12.691 -8.661 -4.460 1.00 73.44 O ATOM 310 CB LEU A 20 14.255 -6.354 -6.262 1.00 20.10 C ATOM 311 CG LEU A 20 15.654 -6.163 -6.850 1.00 14.13 C ATOM 312 CD1 LEU A 20 16.126 -4.732 -6.648 1.00 4.41 C ATOM 313 CD2 LEU A 20 16.634 -7.144 -6.223 1.00 40.31 C ATOM 0 H LEU A 20 12.968 -6.962 -8.308 1.00 53.13 H new ATOM 0 HA LEU A 20 14.381 -8.499 -6.323 1.00 13.11 H new ATOM 0 HB2 LEU A 20 13.595 -5.603 -6.696 1.00 20.10 H new ATOM 0 HB3 LEU A 20 14.302 -6.156 -5.191 1.00 20.10 H new ATOM 0 HG LEU A 20 15.608 -6.361 -7.921 1.00 14.13 H new ATOM 0 HD11 LEU A 20 17.123 -4.614 -7.072 1.00 4.41 H new ATOM 0 HD12 LEU A 20 15.437 -4.048 -7.144 1.00 4.41 H new ATOM 0 HD13 LEU A 20 16.156 -4.506 -5.582 1.00 4.41 H new ATOM 0 HD21 LEU A 20 17.624 -6.994 -6.653 1.00 40.31 H new ATOM 0 HD22 LEU A 20 16.677 -6.978 -5.147 1.00 40.31 H new ATOM 0 HD23 LEU A 20 16.304 -8.164 -6.420 1.00 40.31 H new ATOM 325 N LEU A 21 11.357 -7.338 -5.698 1.00 74.54 N ATOM 326 CA LEU A 21 10.212 -7.469 -4.803 1.00 4.21 C ATOM 327 C LEU A 21 9.681 -8.898 -4.803 1.00 74.55 C ATOM 328 O LEU A 21 8.895 -9.280 -3.935 1.00 41.54 O ATOM 329 CB LEU A 21 9.103 -6.500 -5.216 1.00 43.23 C ATOM 330 CG LEU A 21 9.297 -5.041 -4.801 1.00 21.24 C ATOM 331 CD1 LEU A 21 8.383 -4.131 -5.606 1.00 11.32 C ATOM 332 CD2 LEU A 21 9.042 -4.873 -3.310 1.00 10.01 C ATOM 0 H LEU A 21 11.191 -6.745 -6.511 1.00 74.54 H new ATOM 0 HA LEU A 21 10.542 -7.224 -3.793 1.00 4.21 H new ATOM 0 HB2 LEU A 21 9.000 -6.538 -6.301 1.00 43.23 H new ATOM 0 HB3 LEU A 21 8.163 -6.855 -4.794 1.00 43.23 H new ATOM 0 HG LEU A 21 10.329 -4.758 -5.007 1.00 21.24 H new ATOM 0 HD11 LEU A 21 8.535 -3.097 -5.297 1.00 11.32 H new ATOM 0 HD12 LEU A 21 8.613 -4.230 -6.667 1.00 11.32 H new ATOM 0 HD13 LEU A 21 7.344 -4.413 -5.432 1.00 11.32 H new ATOM 0 HD21 LEU A 21 9.185 -3.829 -3.032 1.00 10.01 H new ATOM 0 HD22 LEU A 21 8.020 -5.174 -3.080 1.00 10.01 H new ATOM 0 HD23 LEU A 21 9.739 -5.496 -2.749 1.00 10.01 H new ATOM 344 N ASP A 22 10.115 -9.685 -5.781 1.00 64.44 N ATOM 345 CA ASP A 22 9.686 -11.075 -5.893 1.00 51.52 C ATOM 346 C ASP A 22 10.708 -12.012 -5.258 1.00 60.21 C ATOM 347 O ASP A 22 10.614 -13.232 -5.393 1.00 43.34 O ATOM 348 CB ASP A 22 9.475 -11.449 -7.361 1.00 52.10 C ATOM 349 CG ASP A 22 8.776 -12.784 -7.523 1.00 72.42 C ATOM 350 OD1 ASP A 22 7.825 -13.053 -6.759 1.00 44.32 O ATOM 351 OD2 ASP A 22 9.180 -13.562 -8.414 1.00 12.35 O ATOM 0 H ASP A 22 10.764 -9.384 -6.508 1.00 64.44 H new ATOM 0 HA ASP A 22 8.742 -11.182 -5.360 1.00 51.52 H new ATOM 0 HB2 ASP A 22 8.887 -10.672 -7.850 1.00 52.10 H new ATOM 0 HB3 ASP A 22 10.440 -11.484 -7.867 1.00 52.10 H new ATOM 356 N ALA A 23 11.684 -11.434 -4.566 1.00 41.21 N ATOM 357 CA ALA A 23 12.723 -12.218 -3.910 1.00 1.54 C ATOM 358 C ALA A 23 12.988 -11.705 -2.498 1.00 71.10 C ATOM 359 O ALA A 23 13.180 -12.489 -1.568 1.00 42.41 O ATOM 360 CB ALA A 23 14.003 -12.191 -4.732 1.00 1.23 C ATOM 0 H ALA A 23 11.777 -10.425 -4.445 1.00 41.21 H new ATOM 0 HA ALA A 23 12.374 -13.248 -3.835 1.00 1.54 H new ATOM 0 HB1 ALA A 23 14.770 -12.781 -4.230 1.00 1.23 H new ATOM 0 HB2 ALA A 23 13.810 -12.611 -5.719 1.00 1.23 H new ATOM 0 HB3 ALA A 23 14.347 -11.162 -4.836 1.00 1.23 H new ATOM 366 N VAL A 24 12.997 -10.385 -2.345 1.00 4.33 N ATOM 367 CA VAL A 24 13.238 -9.768 -1.046 1.00 4.50 C ATOM 368 C VAL A 24 12.122 -10.102 -0.063 1.00 51.31 C ATOM 369 O VAL A 24 12.361 -10.256 1.134 1.00 13.32 O ATOM 370 CB VAL A 24 13.361 -8.237 -1.166 1.00 13.20 C ATOM 371 CG1 VAL A 24 14.543 -7.863 -2.046 1.00 43.15 C ATOM 372 CG2 VAL A 24 12.071 -7.641 -1.710 1.00 1.33 C ATOM 0 H VAL A 24 12.840 -9.722 -3.104 1.00 4.33 H new ATOM 0 HA VAL A 24 14.179 -10.173 -0.673 1.00 4.50 H new ATOM 0 HB VAL A 24 13.535 -7.825 -0.172 1.00 13.20 H new ATOM 0 HG11 VAL A 24 14.613 -6.778 -2.119 1.00 43.15 H new ATOM 0 HG12 VAL A 24 15.461 -8.258 -1.610 1.00 43.15 H new ATOM 0 HG13 VAL A 24 14.404 -8.285 -3.041 1.00 43.15 H new ATOM 0 HG21 VAL A 24 12.175 -6.559 -1.788 1.00 1.33 H new ATOM 0 HG22 VAL A 24 11.865 -8.058 -2.696 1.00 1.33 H new ATOM 0 HG23 VAL A 24 11.248 -7.878 -1.036 1.00 1.33 H new ATOM 382 N ALA A 25 10.902 -10.213 -0.578 1.00 14.23 N ATOM 383 CA ALA A 25 9.748 -10.531 0.254 1.00 31.41 C ATOM 384 C ALA A 25 9.970 -11.827 1.027 1.00 15.13 C ATOM 385 O ALA A 25 9.362 -12.048 2.075 1.00 53.43 O ATOM 386 CB ALA A 25 8.493 -10.633 -0.600 1.00 40.53 C ATOM 0 H ALA A 25 10.687 -10.087 -1.567 1.00 14.23 H new ATOM 0 HA ALA A 25 9.618 -9.725 0.976 1.00 31.41 H new ATOM 0 HB1 ALA A 25 7.639 -10.871 0.035 1.00 40.53 H new ATOM 0 HB2 ALA A 25 8.317 -9.682 -1.103 1.00 40.53 H new ATOM 0 HB3 ALA A 25 8.622 -11.419 -1.344 1.00 40.53 H new ATOM 392 N SER A 26 10.843 -12.681 0.504 1.00 61.12 N ATOM 393 CA SER A 26 11.141 -13.957 1.143 1.00 64.40 C ATOM 394 C SER A 26 12.040 -13.759 2.360 1.00 43.44 C ATOM 395 O SER A 26 11.919 -14.468 3.358 1.00 50.44 O ATOM 396 CB SER A 26 11.813 -14.906 0.148 1.00 41.41 C ATOM 397 OG SER A 26 11.969 -16.200 0.703 1.00 73.35 O ATOM 0 H SER A 26 11.357 -12.512 -0.361 1.00 61.12 H new ATOM 0 HA SER A 26 10.200 -14.396 1.475 1.00 64.40 H new ATOM 0 HB2 SER A 26 11.216 -14.967 -0.762 1.00 41.41 H new ATOM 0 HB3 SER A 26 12.787 -14.509 -0.137 1.00 41.41 H new ATOM 0 HG SER A 26 12.399 -16.788 0.047 1.00 73.35 H new ATOM 403 N GLY A 27 12.944 -12.787 2.268 1.00 72.42 N ATOM 404 CA GLY A 27 13.851 -12.512 3.367 1.00 52.33 C ATOM 405 C GLY A 27 15.102 -11.784 2.917 1.00 0.20 C ATOM 406 O GLY A 27 16.134 -12.406 2.669 1.00 45.43 O ATOM 0 H GLY A 27 13.064 -12.186 1.453 1.00 72.42 H new ATOM 0 HA2 GLY A 27 13.336 -11.913 4.118 1.00 52.33 H new ATOM 0 HA3 GLY A 27 14.132 -13.450 3.845 1.00 52.33 H new ATOM 410 N ALA A 28 15.010 -10.462 2.810 1.00 32.34 N ATOM 411 CA ALA A 28 16.143 -9.649 2.388 1.00 63.12 C ATOM 412 C ALA A 28 16.336 -8.452 3.313 1.00 34.30 C ATOM 413 O ALA A 28 17.462 -8.106 3.670 1.00 33.31 O ATOM 414 CB ALA A 28 15.952 -9.183 0.952 1.00 65.31 C ATOM 0 H ALA A 28 14.162 -9.932 3.010 1.00 32.34 H new ATOM 0 HA ALA A 28 17.040 -10.265 2.443 1.00 63.12 H new ATOM 0 HB1 ALA A 28 16.806 -8.577 0.650 1.00 65.31 H new ATOM 0 HB2 ALA A 28 15.872 -10.050 0.296 1.00 65.31 H new ATOM 0 HB3 ALA A 28 15.041 -8.588 0.881 1.00 65.31 H new ATOM 420 N SER A 29 15.229 -7.823 3.697 1.00 24.42 N ATOM 421 CA SER A 29 15.277 -6.662 4.578 1.00 41.14 C ATOM 422 C SER A 29 16.255 -5.618 4.047 1.00 25.14 C ATOM 423 O SER A 29 16.869 -4.878 4.817 1.00 0.41 O ATOM 424 CB SER A 29 15.680 -7.084 5.992 1.00 44.42 C ATOM 425 OG SER A 29 15.165 -6.184 6.958 1.00 25.45 O ATOM 0 H SER A 29 14.289 -8.098 3.412 1.00 24.42 H new ATOM 0 HA SER A 29 14.282 -6.219 4.610 1.00 41.14 H new ATOM 0 HB2 SER A 29 15.311 -8.090 6.194 1.00 44.42 H new ATOM 0 HB3 SER A 29 16.767 -7.122 6.068 1.00 44.42 H new ATOM 0 HG SER A 29 15.435 -6.476 7.854 1.00 25.45 H new ATOM 431 N LEU A 30 16.396 -5.565 2.728 1.00 62.24 N ATOM 432 CA LEU A 30 17.300 -4.612 2.092 1.00 31.41 C ATOM 433 C LEU A 30 17.037 -3.196 2.592 1.00 12.41 C ATOM 434 O LEU A 30 15.888 -2.788 2.757 1.00 51.22 O ATOM 435 CB LEU A 30 17.143 -4.666 0.572 1.00 75.35 C ATOM 436 CG LEU A 30 18.384 -5.083 -0.217 1.00 43.15 C ATOM 437 CD1 LEU A 30 19.591 -4.266 0.216 1.00 3.42 C ATOM 438 CD2 LEU A 30 18.654 -6.570 -0.042 1.00 31.25 C ATOM 0 H LEU A 30 15.896 -6.171 2.077 1.00 62.24 H new ATOM 0 HA LEU A 30 18.322 -4.887 2.355 1.00 31.41 H new ATOM 0 HB2 LEU A 30 16.336 -5.360 0.335 1.00 75.35 H new ATOM 0 HB3 LEU A 30 16.830 -3.682 0.224 1.00 75.35 H new ATOM 0 HG LEU A 30 18.200 -4.890 -1.274 1.00 43.15 H new ATOM 0 HD11 LEU A 30 20.465 -4.577 -0.356 1.00 3.42 H new ATOM 0 HD12 LEU A 30 19.397 -3.208 0.037 1.00 3.42 H new ATOM 0 HD13 LEU A 30 19.777 -4.426 1.278 1.00 3.42 H new ATOM 0 HD21 LEU A 30 19.541 -6.848 -0.611 1.00 31.25 H new ATOM 0 HD22 LEU A 30 18.817 -6.789 1.013 1.00 31.25 H new ATOM 0 HD23 LEU A 30 17.798 -7.140 -0.403 1.00 31.25 H new ATOM 450 N GLY A 31 18.111 -2.448 2.830 1.00 33.42 N ATOM 451 CA GLY A 31 17.974 -1.084 3.307 1.00 65.52 C ATOM 452 C GLY A 31 18.958 -0.139 2.646 1.00 12.44 C ATOM 453 O GLY A 31 19.060 1.029 3.026 1.00 32.50 O ATOM 0 H GLY A 31 19.073 -2.762 2.701 1.00 33.42 H new ATOM 0 HA2 GLY A 31 16.958 -0.736 3.119 1.00 65.52 H new ATOM 0 HA3 GLY A 31 18.123 -1.063 4.387 1.00 65.52 H new ATOM 457 N THR A 32 19.686 -0.642 1.655 1.00 64.21 N ATOM 458 CA THR A 32 20.669 0.165 0.942 1.00 32.41 C ATOM 459 C THR A 32 20.408 0.148 -0.560 1.00 2.33 C ATOM 460 O THR A 32 20.570 1.162 -1.238 1.00 50.03 O ATOM 461 CB THR A 32 22.103 -0.331 1.208 1.00 34.33 C ATOM 462 OG1 THR A 32 22.183 -0.921 2.511 1.00 62.24 O ATOM 463 CG2 THR A 32 23.099 0.813 1.102 1.00 64.12 C ATOM 0 H THR A 32 19.614 -1.605 1.327 1.00 64.21 H new ATOM 0 HA THR A 32 20.571 1.185 1.314 1.00 32.41 H new ATOM 0 HB THR A 32 22.351 -1.079 0.455 1.00 34.33 H new ATOM 0 HG1 THR A 32 23.097 -1.235 2.672 1.00 62.24 H new ATOM 0 HG21 THR A 32 24.105 0.439 1.294 1.00 64.12 H new ATOM 0 HG22 THR A 32 23.056 1.241 0.101 1.00 64.12 H new ATOM 0 HG23 THR A 32 22.851 1.580 1.836 1.00 64.12 H new ATOM 471 N ALA A 33 20.003 -1.009 -1.073 1.00 2.12 N ATOM 472 CA ALA A 33 19.717 -1.156 -2.495 1.00 4.25 C ATOM 473 C ALA A 33 18.275 -0.771 -2.807 1.00 63.42 C ATOM 474 O ALA A 33 17.941 -0.450 -3.948 1.00 4.32 O ATOM 475 CB ALA A 33 19.995 -2.583 -2.944 1.00 14.12 C ATOM 0 H ALA A 33 19.866 -1.858 -0.525 1.00 2.12 H new ATOM 0 HA ALA A 33 20.372 -0.480 -3.045 1.00 4.25 H new ATOM 0 HB1 ALA A 33 19.777 -2.679 -4.008 1.00 14.12 H new ATOM 0 HB2 ALA A 33 21.043 -2.823 -2.765 1.00 14.12 H new ATOM 0 HB3 ALA A 33 19.364 -3.271 -2.381 1.00 14.12 H new ATOM 481 N PHE A 34 17.424 -0.808 -1.788 1.00 12.44 N ATOM 482 CA PHE A 34 16.016 -0.465 -1.954 1.00 43.54 C ATOM 483 C PHE A 34 15.826 1.049 -1.986 1.00 54.13 C ATOM 484 O PHE A 34 14.919 1.557 -2.645 1.00 41.33 O ATOM 485 CB PHE A 34 15.184 -1.071 -0.823 1.00 21.02 C ATOM 486 CG PHE A 34 13.784 -1.428 -1.233 1.00 50.22 C ATOM 487 CD1 PHE A 34 13.557 -2.278 -2.303 1.00 61.05 C ATOM 488 CD2 PHE A 34 12.695 -0.914 -0.548 1.00 52.54 C ATOM 489 CE1 PHE A 34 12.270 -2.607 -2.684 1.00 32.24 C ATOM 490 CE2 PHE A 34 11.405 -1.240 -0.924 1.00 1.53 C ATOM 491 CZ PHE A 34 11.192 -2.088 -1.992 1.00 65.41 C ATOM 0 H PHE A 34 17.684 -1.072 -0.838 1.00 12.44 H new ATOM 0 HA PHE A 34 15.677 -0.877 -2.905 1.00 43.54 H new ATOM 0 HB2 PHE A 34 15.685 -1.966 -0.453 1.00 21.02 H new ATOM 0 HB3 PHE A 34 15.142 -0.364 0.005 1.00 21.02 H new ATOM 0 HD1 PHE A 34 14.396 -2.688 -2.846 1.00 61.05 H new ATOM 0 HD2 PHE A 34 12.856 -0.251 0.289 1.00 52.54 H new ATOM 0 HE1 PHE A 34 12.107 -3.269 -3.522 1.00 32.24 H new ATOM 0 HE2 PHE A 34 10.565 -0.831 -0.382 1.00 1.53 H new ATOM 0 HZ PHE A 34 10.185 -2.345 -2.286 1.00 65.41 H new ATOM 501 N ALA A 35 16.687 1.763 -1.269 1.00 13.22 N ATOM 502 CA ALA A 35 16.615 3.218 -1.215 1.00 53.05 C ATOM 503 C ALA A 35 17.204 3.843 -2.475 1.00 55.35 C ATOM 504 O ALA A 35 16.878 4.977 -2.828 1.00 22.34 O ATOM 505 CB ALA A 35 17.335 3.737 0.020 1.00 43.20 C ATOM 0 H ALA A 35 17.443 1.357 -0.717 1.00 13.22 H new ATOM 0 HA ALA A 35 15.565 3.503 -1.156 1.00 53.05 H new ATOM 0 HB1 ALA A 35 17.273 4.825 0.047 1.00 43.20 H new ATOM 0 HB2 ALA A 35 16.867 3.325 0.914 1.00 43.20 H new ATOM 0 HB3 ALA A 35 18.381 3.434 -0.015 1.00 43.20 H new ATOM 511 N ALA A 36 18.072 3.097 -3.150 1.00 41.43 N ATOM 512 CA ALA A 36 18.705 3.579 -4.372 1.00 22.31 C ATOM 513 C ALA A 36 17.793 3.381 -5.578 1.00 13.34 C ATOM 514 O ALA A 36 18.035 3.938 -6.649 1.00 23.21 O ATOM 515 CB ALA A 36 20.034 2.871 -4.592 1.00 20.02 C ATOM 0 H ALA A 36 18.353 2.157 -2.872 1.00 41.43 H new ATOM 0 HA ALA A 36 18.888 4.648 -4.260 1.00 22.31 H new ATOM 0 HB1 ALA A 36 20.496 3.240 -5.508 1.00 20.02 H new ATOM 0 HB2 ALA A 36 20.695 3.067 -3.748 1.00 20.02 H new ATOM 0 HB3 ALA A 36 19.865 1.798 -4.678 1.00 20.02 H new ATOM 521 N ILE A 37 16.744 2.586 -5.396 1.00 71.00 N ATOM 522 CA ILE A 37 15.796 2.316 -6.469 1.00 55.25 C ATOM 523 C ILE A 37 14.490 3.075 -6.253 1.00 63.54 C ATOM 524 O ILE A 37 13.797 3.425 -7.210 1.00 22.34 O ATOM 525 CB ILE A 37 15.489 0.811 -6.585 1.00 12.33 C ATOM 526 CG1 ILE A 37 15.017 0.260 -5.238 1.00 3.15 C ATOM 527 CG2 ILE A 37 16.717 0.056 -7.072 1.00 15.33 C ATOM 528 CD1 ILE A 37 14.500 -1.159 -5.313 1.00 73.31 C ATOM 0 H ILE A 37 16.529 2.118 -4.516 1.00 71.00 H new ATOM 0 HA ILE A 37 16.262 2.655 -7.394 1.00 55.25 H new ATOM 0 HB ILE A 37 14.690 0.673 -7.313 1.00 12.33 H new ATOM 0 HG12 ILE A 37 15.844 0.300 -4.529 1.00 3.15 H new ATOM 0 HG13 ILE A 37 14.230 0.905 -4.847 1.00 3.15 H new ATOM 0 HG21 ILE A 37 16.484 -1.006 -7.149 1.00 15.33 H new ATOM 0 HG22 ILE A 37 17.012 0.435 -8.051 1.00 15.33 H new ATOM 0 HG23 ILE A 37 17.535 0.198 -6.366 1.00 15.33 H new ATOM 0 HD11 ILE A 37 14.183 -1.484 -4.322 1.00 73.31 H new ATOM 0 HD12 ILE A 37 13.653 -1.202 -5.997 1.00 73.31 H new ATOM 0 HD13 ILE A 37 15.291 -1.816 -5.674 1.00 73.31 H new ATOM 540 N LEU A 38 14.161 3.327 -4.991 1.00 63.14 N ATOM 541 CA LEU A 38 12.939 4.046 -4.648 1.00 44.34 C ATOM 542 C LEU A 38 13.218 5.534 -4.462 1.00 54.43 C ATOM 543 O LEU A 38 12.403 6.263 -3.898 1.00 74.10 O ATOM 544 CB LEU A 38 12.324 3.467 -3.373 1.00 42.41 C ATOM 545 CG LEU A 38 11.212 2.437 -3.572 1.00 51.22 C ATOM 546 CD1 LEU A 38 11.798 1.083 -3.941 1.00 42.45 C ATOM 547 CD2 LEU A 38 10.357 2.326 -2.318 1.00 41.12 C ATOM 0 H LEU A 38 14.723 3.044 -4.188 1.00 63.14 H new ATOM 0 HA LEU A 38 12.233 3.927 -5.470 1.00 44.34 H new ATOM 0 HB2 LEU A 38 13.119 3.005 -2.787 1.00 42.41 H new ATOM 0 HB3 LEU A 38 11.927 4.290 -2.779 1.00 42.41 H new ATOM 0 HG LEU A 38 10.577 2.771 -4.392 1.00 51.22 H new ATOM 0 HD11 LEU A 38 10.991 0.363 -4.079 1.00 42.45 H new ATOM 0 HD12 LEU A 38 12.366 1.173 -4.867 1.00 42.45 H new ATOM 0 HD13 LEU A 38 12.457 0.742 -3.142 1.00 42.45 H new ATOM 0 HD21 LEU A 38 9.571 1.588 -2.478 1.00 41.12 H new ATOM 0 HD22 LEU A 38 10.980 2.016 -1.479 1.00 41.12 H new ATOM 0 HD23 LEU A 38 9.907 3.294 -2.098 1.00 41.12 H new ATOM 559 N GLY A 39 14.375 5.980 -4.943 1.00 74.22 N ATOM 560 CA GLY A 39 14.739 7.379 -4.822 1.00 11.32 C ATOM 561 C GLY A 39 14.697 8.107 -6.151 1.00 73.30 C ATOM 562 O GLY A 39 14.737 9.336 -6.196 1.00 1.32 O ATOM 0 H GLY A 39 15.066 5.397 -5.414 1.00 74.22 H new ATOM 0 HA2 GLY A 39 14.062 7.868 -4.122 1.00 11.32 H new ATOM 0 HA3 GLY A 39 15.742 7.455 -4.401 1.00 11.32 H new ATOM 566 N VAL A 40 14.617 7.346 -7.238 1.00 70.21 N ATOM 567 CA VAL A 40 14.570 7.925 -8.575 1.00 41.32 C ATOM 568 C VAL A 40 13.195 8.513 -8.871 1.00 41.34 C ATOM 569 O VAL A 40 13.072 9.497 -9.602 1.00 11.10 O ATOM 570 CB VAL A 40 14.912 6.879 -9.653 1.00 32.04 C ATOM 571 CG1 VAL A 40 14.017 5.657 -9.513 1.00 24.41 C ATOM 572 CG2 VAL A 40 14.787 7.485 -11.042 1.00 53.41 C ATOM 0 H VAL A 40 14.583 6.327 -7.219 1.00 70.21 H new ATOM 0 HA VAL A 40 15.316 8.720 -8.602 1.00 41.32 H new ATOM 0 HB VAL A 40 15.945 6.562 -9.512 1.00 32.04 H new ATOM 0 HG11 VAL A 40 14.273 4.929 -10.283 1.00 24.41 H new ATOM 0 HG12 VAL A 40 14.161 5.211 -8.529 1.00 24.41 H new ATOM 0 HG13 VAL A 40 12.975 5.954 -9.627 1.00 24.41 H new ATOM 0 HG21 VAL A 40 15.032 6.732 -11.791 1.00 53.41 H new ATOM 0 HG22 VAL A 40 13.765 7.832 -11.197 1.00 53.41 H new ATOM 0 HG23 VAL A 40 15.474 8.326 -11.135 1.00 53.41 H new ATOM 582 N THR A 41 12.161 7.905 -8.299 1.00 22.43 N ATOM 583 CA THR A 41 10.794 8.367 -8.501 1.00 70.13 C ATOM 584 C THR A 41 10.006 8.341 -7.197 1.00 11.43 C ATOM 585 O THR A 41 9.239 9.260 -6.905 1.00 1.05 O ATOM 586 CB THR A 41 10.060 7.508 -9.548 1.00 71.12 C ATOM 587 OG1 THR A 41 8.666 7.836 -9.561 1.00 1.02 O ATOM 588 CG2 THR A 41 10.235 6.026 -9.251 1.00 54.22 C ATOM 0 H THR A 41 12.245 7.090 -7.691 1.00 22.43 H new ATOM 0 HA THR A 41 10.858 9.393 -8.863 1.00 70.13 H new ATOM 0 HB THR A 41 10.491 7.720 -10.526 1.00 71.12 H new ATOM 0 HG1 THR A 41 8.140 7.038 -9.343 1.00 1.02 H new ATOM 0 HG21 THR A 41 9.708 5.439 -10.004 1.00 54.22 H new ATOM 0 HG22 THR A 41 11.295 5.774 -9.271 1.00 54.22 H new ATOM 0 HG23 THR A 41 9.827 5.802 -8.265 1.00 54.22 H new ATOM 596 N LEU A 42 10.199 7.285 -6.415 1.00 23.02 N ATOM 597 CA LEU A 42 9.507 7.140 -5.139 1.00 55.22 C ATOM 598 C LEU A 42 10.096 8.077 -4.090 1.00 25.22 C ATOM 599 O LEU A 42 11.223 8.558 -4.214 1.00 61.53 O ATOM 600 CB LEU A 42 9.591 5.693 -4.652 1.00 74.42 C ATOM 601 CG LEU A 42 8.491 4.753 -5.148 1.00 62.32 C ATOM 602 CD1 LEU A 42 8.945 4.012 -6.397 1.00 0.15 C ATOM 603 CD2 LEU A 42 8.098 3.769 -4.056 1.00 15.02 C ATOM 0 H LEU A 42 10.829 6.516 -6.642 1.00 23.02 H new ATOM 0 HA LEU A 42 8.461 7.406 -5.290 1.00 55.22 H new ATOM 0 HB2 LEU A 42 10.555 5.284 -4.955 1.00 74.42 H new ATOM 0 HB3 LEU A 42 9.575 5.696 -3.562 1.00 74.42 H new ATOM 0 HG LEU A 42 7.616 5.351 -5.403 1.00 62.32 H new ATOM 0 HD11 LEU A 42 8.150 3.348 -6.735 1.00 0.15 H new ATOM 0 HD12 LEU A 42 9.176 4.731 -7.183 1.00 0.15 H new ATOM 0 HD13 LEU A 42 9.835 3.425 -6.169 1.00 0.15 H new ATOM 0 HD21 LEU A 42 7.314 3.108 -4.427 1.00 15.02 H new ATOM 0 HD22 LEU A 42 8.967 3.177 -3.770 1.00 15.02 H new ATOM 0 HD23 LEU A 42 7.731 4.316 -3.188 1.00 15.02 H new ATOM 615 N PRO A 43 9.320 8.342 -3.029 1.00 34.31 N ATOM 616 CA PRO A 43 9.745 9.220 -1.935 1.00 45.25 C ATOM 617 C PRO A 43 10.854 8.600 -1.092 1.00 43.31 C ATOM 618 O PRO A 43 11.413 7.564 -1.450 1.00 22.14 O ATOM 619 CB PRO A 43 8.473 9.392 -1.103 1.00 12.44 C ATOM 620 CG PRO A 43 7.665 8.174 -1.389 1.00 31.10 C ATOM 621 CD PRO A 43 7.966 7.803 -2.815 1.00 12.41 C ATOM 0 HA PRO A 43 10.159 10.159 -2.303 1.00 45.25 H new ATOM 0 HB2 PRO A 43 8.703 9.474 -0.041 1.00 12.44 H new ATOM 0 HB3 PRO A 43 7.936 10.298 -1.384 1.00 12.44 H new ATOM 0 HG2 PRO A 43 7.929 7.363 -0.711 1.00 31.10 H new ATOM 0 HG3 PRO A 43 6.601 8.370 -1.253 1.00 31.10 H new ATOM 0 HD2 PRO A 43 7.935 6.724 -2.965 1.00 12.41 H new ATOM 0 HD3 PRO A 43 7.245 8.241 -3.505 1.00 12.41 H new ATOM 629 N ALA A 44 11.167 9.241 0.029 1.00 3.42 N ATOM 630 CA ALA A 44 12.208 8.751 0.925 1.00 73.04 C ATOM 631 C ALA A 44 11.603 8.069 2.147 1.00 22.21 C ATOM 632 O ALA A 44 12.169 7.114 2.680 1.00 51.21 O ATOM 633 CB ALA A 44 13.118 9.893 1.351 1.00 22.12 C ATOM 0 H ALA A 44 10.715 10.101 0.339 1.00 3.42 H new ATOM 0 HA ALA A 44 12.800 8.012 0.385 1.00 73.04 H new ATOM 0 HB1 ALA A 44 13.890 9.513 2.020 1.00 22.12 H new ATOM 0 HB2 ALA A 44 13.585 10.334 0.470 1.00 22.12 H new ATOM 0 HB3 ALA A 44 12.531 10.652 1.869 1.00 22.12 H new ATOM 639 N TRP A 45 10.452 8.565 2.587 1.00 63.14 N ATOM 640 CA TRP A 45 9.772 8.003 3.748 1.00 73.23 C ATOM 641 C TRP A 45 9.338 6.565 3.482 1.00 44.43 C ATOM 642 O TRP A 45 9.311 5.737 4.392 1.00 53.44 O ATOM 643 CB TRP A 45 8.556 8.856 4.114 1.00 30.52 C ATOM 644 CG TRP A 45 7.481 8.837 3.070 1.00 34.44 C ATOM 645 CD1 TRP A 45 7.272 9.766 2.092 1.00 61.24 C ATOM 646 CD2 TRP A 45 6.466 7.840 2.903 1.00 2.21 C ATOM 647 NE1 TRP A 45 6.189 9.407 1.326 1.00 50.11 N ATOM 648 CE2 TRP A 45 5.678 8.229 1.803 1.00 54.24 C ATOM 649 CE3 TRP A 45 6.149 6.656 3.574 1.00 15.43 C ATOM 650 CZ2 TRP A 45 4.593 7.476 1.362 1.00 54.44 C ATOM 651 CZ3 TRP A 45 5.071 5.911 3.136 1.00 61.55 C ATOM 652 CH2 TRP A 45 4.304 6.322 2.037 1.00 21.04 C ATOM 0 H TRP A 45 9.970 9.355 2.157 1.00 63.14 H new ATOM 0 HA TRP A 45 10.472 8.003 4.583 1.00 73.23 H new ATOM 0 HB2 TRP A 45 8.142 8.500 5.058 1.00 30.52 H new ATOM 0 HB3 TRP A 45 8.878 9.885 4.275 1.00 30.52 H new ATOM 0 HD1 TRP A 45 7.870 10.653 1.942 1.00 61.24 H new ATOM 0 HE1 TRP A 45 5.825 9.932 0.531 1.00 50.11 H new ATOM 0 HE3 TRP A 45 6.736 6.329 4.420 1.00 15.43 H new ATOM 0 HZ2 TRP A 45 4.000 7.792 0.516 1.00 54.44 H new ATOM 0 HZ3 TRP A 45 4.815 4.996 3.649 1.00 61.55 H new ATOM 0 HH2 TRP A 45 3.469 5.716 1.717 1.00 21.04 H new ATOM 663 N ALA A 46 9.001 6.276 2.229 1.00 20.33 N ATOM 664 CA ALA A 46 8.571 4.937 1.844 1.00 3.30 C ATOM 665 C ALA A 46 9.593 3.889 2.271 1.00 35.53 C ATOM 666 O ALA A 46 9.246 2.732 2.514 1.00 74.22 O ATOM 667 CB ALA A 46 8.339 4.869 0.342 1.00 42.42 C ATOM 0 H ALA A 46 9.017 6.950 1.464 1.00 20.33 H new ATOM 0 HA ALA A 46 7.633 4.722 2.356 1.00 3.30 H new ATOM 0 HB1 ALA A 46 8.018 3.864 0.069 1.00 42.42 H new ATOM 0 HB2 ALA A 46 7.567 5.585 0.060 1.00 42.42 H new ATOM 0 HB3 ALA A 46 9.265 5.109 -0.180 1.00 42.42 H new ATOM 673 N LEU A 47 10.853 4.299 2.361 1.00 13.02 N ATOM 674 CA LEU A 47 11.926 3.394 2.759 1.00 54.11 C ATOM 675 C LEU A 47 11.828 3.052 4.242 1.00 34.11 C ATOM 676 O LEU A 47 12.105 1.924 4.649 1.00 41.13 O ATOM 677 CB LEU A 47 13.287 4.022 2.458 1.00 44.52 C ATOM 678 CG LEU A 47 13.416 4.733 1.110 1.00 75.54 C ATOM 679 CD1 LEU A 47 14.761 5.434 1.002 1.00 54.05 C ATOM 680 CD2 LEU A 47 13.234 3.744 -0.033 1.00 41.21 C ATOM 0 H LEU A 47 11.157 5.252 2.164 1.00 13.02 H new ATOM 0 HA LEU A 47 11.823 2.473 2.185 1.00 54.11 H new ATOM 0 HB2 LEU A 47 13.517 4.738 3.247 1.00 44.52 H new ATOM 0 HB3 LEU A 47 14.044 3.240 2.507 1.00 44.52 H new ATOM 0 HG LEU A 47 12.631 5.486 1.041 1.00 75.54 H new ATOM 0 HD11 LEU A 47 14.834 5.934 0.036 1.00 54.05 H new ATOM 0 HD12 LEU A 47 14.852 6.171 1.800 1.00 54.05 H new ATOM 0 HD13 LEU A 47 15.562 4.700 1.092 1.00 54.05 H new ATOM 0 HD21 LEU A 47 13.329 4.267 -0.985 1.00 41.21 H new ATOM 0 HD22 LEU A 47 13.997 2.968 0.032 1.00 41.21 H new ATOM 0 HD23 LEU A 47 12.246 3.288 0.034 1.00 41.21 H new ATOM 692 N ALA A 48 11.429 4.033 5.045 1.00 31.23 N ATOM 693 CA ALA A 48 11.290 3.834 6.483 1.00 51.44 C ATOM 694 C ALA A 48 10.011 3.071 6.810 1.00 23.32 C ATOM 695 O ALA A 48 9.921 2.406 7.842 1.00 1.31 O ATOM 696 CB ALA A 48 11.307 5.174 7.204 1.00 35.34 C ATOM 0 H ALA A 48 11.196 4.973 4.725 1.00 31.23 H new ATOM 0 HA ALA A 48 12.135 3.238 6.827 1.00 51.44 H new ATOM 0 HB1 ALA A 48 11.202 5.011 8.277 1.00 35.34 H new ATOM 0 HB2 ALA A 48 12.250 5.683 7.004 1.00 35.34 H new ATOM 0 HB3 ALA A 48 10.481 5.789 6.848 1.00 35.34 H new ATOM 702 N ALA A 49 9.025 3.171 5.925 1.00 33.44 N ATOM 703 CA ALA A 49 7.752 2.488 6.120 1.00 14.04 C ATOM 704 C ALA A 49 7.900 0.983 5.924 1.00 51.12 C ATOM 705 O ALA A 49 7.227 0.192 6.584 1.00 10.21 O ATOM 706 CB ALA A 49 6.703 3.046 5.170 1.00 73.33 C ATOM 0 H ALA A 49 9.083 3.718 5.066 1.00 33.44 H new ATOM 0 HA ALA A 49 7.427 2.663 7.146 1.00 14.04 H new ATOM 0 HB1 ALA A 49 5.757 2.527 5.327 1.00 73.33 H new ATOM 0 HB2 ALA A 49 6.568 4.111 5.361 1.00 73.33 H new ATOM 0 HB3 ALA A 49 7.030 2.901 4.141 1.00 73.33 H new ATOM 712 N ALA A 50 8.784 0.595 5.011 1.00 24.42 N ATOM 713 CA ALA A 50 9.021 -0.816 4.729 1.00 45.31 C ATOM 714 C ALA A 50 9.462 -1.560 5.985 1.00 63.35 C ATOM 715 O ALA A 50 9.088 -2.713 6.198 1.00 4.31 O ATOM 716 CB ALA A 50 10.063 -0.966 3.630 1.00 24.15 C ATOM 0 H ALA A 50 9.348 1.237 4.454 1.00 24.42 H new ATOM 0 HA ALA A 50 8.084 -1.256 4.388 1.00 45.31 H new ATOM 0 HB1 ALA A 50 10.230 -2.024 3.429 1.00 24.15 H new ATOM 0 HB2 ALA A 50 9.708 -0.476 2.723 1.00 24.15 H new ATOM 0 HB3 ALA A 50 10.998 -0.505 3.949 1.00 24.15 H new ATOM 722 N GLY A 51 10.261 -0.894 6.813 1.00 51.32 N ATOM 723 CA GLY A 51 10.740 -1.509 8.037 1.00 63.04 C ATOM 724 C GLY A 51 9.848 -1.209 9.225 1.00 51.24 C ATOM 725 O GLY A 51 9.736 -2.018 10.145 1.00 14.21 O ATOM 0 H GLY A 51 10.585 0.061 6.658 1.00 51.32 H new ATOM 0 HA2 GLY A 51 10.803 -2.588 7.897 1.00 63.04 H new ATOM 0 HA3 GLY A 51 11.750 -1.156 8.246 1.00 63.04 H new ATOM 729 N ALA A 52 9.213 -0.042 9.206 1.00 53.45 N ATOM 730 CA ALA A 52 8.326 0.363 10.289 1.00 13.21 C ATOM 731 C ALA A 52 7.036 -0.450 10.276 1.00 70.23 C ATOM 732 O ALA A 52 6.827 -1.287 9.396 1.00 34.03 O ATOM 733 CB ALA A 52 8.016 1.849 10.190 1.00 53.50 C ATOM 0 H ALA A 52 9.296 0.640 8.452 1.00 53.45 H new ATOM 0 HA ALA A 52 8.836 0.171 11.233 1.00 13.21 H new ATOM 0 HB1 ALA A 52 7.352 2.137 11.005 1.00 53.50 H new ATOM 0 HB2 ALA A 52 8.943 2.419 10.257 1.00 53.50 H new ATOM 0 HB3 ALA A 52 7.531 2.057 9.236 1.00 53.50 H new ATOM 739 N LEU A 53 6.174 -0.200 11.255 1.00 24.34 N ATOM 740 CA LEU A 53 4.904 -0.910 11.357 1.00 61.52 C ATOM 741 C LEU A 53 3.743 -0.011 10.946 1.00 11.43 C ATOM 742 O LEU A 53 2.703 0.017 11.603 1.00 2.04 O ATOM 743 CB LEU A 53 4.692 -1.416 12.785 1.00 4.20 C ATOM 744 CG LEU A 53 4.512 -0.341 13.857 1.00 32.05 C ATOM 745 CD1 LEU A 53 3.630 -0.855 14.985 1.00 54.43 C ATOM 746 CD2 LEU A 53 5.863 0.107 14.397 1.00 74.34 C ATOM 0 H LEU A 53 6.331 0.489 11.990 1.00 24.34 H new ATOM 0 HA LEU A 53 4.937 -1.762 10.678 1.00 61.52 H new ATOM 0 HB2 LEU A 53 3.813 -2.061 12.794 1.00 4.20 H new ATOM 0 HB3 LEU A 53 5.545 -2.036 13.060 1.00 4.20 H new ATOM 0 HG LEU A 53 4.022 0.520 13.402 1.00 32.05 H new ATOM 0 HD11 LEU A 53 3.513 -0.077 15.739 1.00 54.43 H new ATOM 0 HD12 LEU A 53 2.652 -1.125 14.588 1.00 54.43 H new ATOM 0 HD13 LEU A 53 4.093 -1.732 15.438 1.00 54.43 H new ATOM 0 HD21 LEU A 53 5.715 0.872 15.159 1.00 74.34 H new ATOM 0 HD22 LEU A 53 6.381 -0.746 14.836 1.00 74.34 H new ATOM 0 HD23 LEU A 53 6.462 0.516 13.584 1.00 74.34 H new ATOM 758 N GLY A 54 3.927 0.723 9.853 1.00 3.40 N ATOM 759 CA GLY A 54 2.886 1.613 9.372 1.00 21.32 C ATOM 760 C GLY A 54 2.228 1.103 8.105 1.00 11.34 C ATOM 761 O GLY A 54 1.002 1.081 8.001 1.00 40.24 O ATOM 0 H GLY A 54 4.779 0.717 9.292 1.00 3.40 H new ATOM 0 HA2 GLY A 54 2.129 1.735 10.147 1.00 21.32 H new ATOM 0 HA3 GLY A 54 3.312 2.599 9.185 1.00 21.32 H new ATOM 765 N ALA A 55 3.044 0.694 7.140 1.00 42.34 N ATOM 766 CA ALA A 55 2.534 0.183 5.874 1.00 72.42 C ATOM 767 C ALA A 55 3.500 -0.824 5.259 1.00 21.30 C ATOM 768 O ALA A 55 4.595 -0.465 4.824 1.00 12.10 O ATOM 769 CB ALA A 55 2.277 1.329 4.907 1.00 74.45 C ATOM 0 H ALA A 55 4.061 0.707 7.211 1.00 42.34 H new ATOM 0 HA ALA A 55 1.592 -0.330 6.071 1.00 72.42 H new ATOM 0 HB1 ALA A 55 1.896 0.932 3.966 1.00 74.45 H new ATOM 0 HB2 ALA A 55 1.543 2.010 5.337 1.00 74.45 H new ATOM 0 HB3 ALA A 55 3.207 1.867 4.724 1.00 74.45 H new ATOM 775 N THR A 56 3.089 -2.088 5.226 1.00 21.24 N ATOM 776 CA THR A 56 3.919 -3.148 4.667 1.00 40.52 C ATOM 777 C THR A 56 3.273 -3.755 3.427 1.00 33.52 C ATOM 778 O THR A 56 3.960 -4.279 2.551 1.00 50.54 O ATOM 779 CB THR A 56 4.176 -4.263 5.697 1.00 24.22 C ATOM 780 OG1 THR A 56 4.864 -5.355 5.076 1.00 40.21 O ATOM 781 CG2 THR A 56 2.869 -4.757 6.298 1.00 11.10 C ATOM 0 H THR A 56 2.186 -2.403 5.580 1.00 21.24 H new ATOM 0 HA THR A 56 4.870 -2.693 4.392 1.00 40.52 H new ATOM 0 HB THR A 56 4.793 -3.853 6.497 1.00 24.22 H new ATOM 0 HG1 THR A 56 5.025 -6.059 5.738 1.00 40.21 H new ATOM 0 HG21 THR A 56 3.076 -5.544 7.023 1.00 11.10 H new ATOM 0 HG22 THR A 56 2.362 -3.930 6.796 1.00 11.10 H new ATOM 0 HG23 THR A 56 2.231 -5.151 5.507 1.00 11.10 H new ATOM 789 N ALA A 57 1.947 -3.682 3.360 1.00 24.44 N ATOM 790 CA ALA A 57 1.209 -4.223 2.226 1.00 32.42 C ATOM 791 C ALA A 57 0.325 -3.157 1.588 1.00 73.31 C ATOM 792 O ALA A 57 -0.312 -3.398 0.563 1.00 73.10 O ATOM 793 CB ALA A 57 0.370 -5.415 2.663 1.00 70.43 C ATOM 0 H ALA A 57 1.363 -3.253 4.078 1.00 24.44 H new ATOM 0 HA ALA A 57 1.930 -4.554 1.479 1.00 32.42 H new ATOM 0 HB1 ALA A 57 -0.176 -5.809 1.806 1.00 70.43 H new ATOM 0 HB2 ALA A 57 1.022 -6.190 3.066 1.00 70.43 H new ATOM 0 HB3 ALA A 57 -0.337 -5.100 3.430 1.00 70.43 H new ATOM 799 N ALA A 58 0.290 -1.979 2.201 1.00 4.23 N ATOM 800 CA ALA A 58 -0.515 -0.876 1.692 1.00 42.32 C ATOM 801 C ALA A 58 0.058 -0.335 0.386 1.00 22.21 C ATOM 802 O ALA A 58 -0.655 -0.207 -0.610 1.00 11.12 O ATOM 803 CB ALA A 58 -0.607 0.233 2.729 1.00 1.52 C ATOM 0 H ALA A 58 0.810 -1.764 3.052 1.00 4.23 H new ATOM 0 HA ALA A 58 -1.517 -1.254 1.490 1.00 42.32 H new ATOM 0 HB1 ALA A 58 -1.211 1.050 2.335 1.00 1.52 H new ATOM 0 HB2 ALA A 58 -1.069 -0.155 3.637 1.00 1.52 H new ATOM 0 HB3 ALA A 58 0.393 0.600 2.959 1.00 1.52 H new TER 809 ALA A 58