USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, 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 Single : A 1 ILE N :NH3+ -141:sc= -0.188 (180deg=-1.18) USER MOD Single : A 2 TYR OH : rot 50:sc= -0.673 USER MOD Single : A 7 GLN : amide:sc= -0.68 K(o=-0.68,f=-4.9!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -27:sc= 0.288 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0135) 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 110:sc= -0.489 USER MOD Single : A 56 THR OG1 : rot -56:sc= 0.763 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 2.245 -1.015 -0.336 1.00 13.43 N ATOM 2 CA ILE A 1 2.821 -0.938 -1.672 1.00 40.03 C ATOM 3 C ILE A 1 2.095 -1.868 -2.638 1.00 54.23 C ATOM 4 O ILE A 1 2.069 -1.629 -3.846 1.00 0.52 O ATOM 5 CB ILE A 1 4.319 -1.296 -1.661 1.00 32.50 C ATOM 6 CG1 ILE A 1 5.084 -0.354 -0.730 1.00 42.53 C ATOM 7 CG2 ILE A 1 4.889 -1.236 -3.070 1.00 75.23 C ATOM 8 CD1 ILE A 1 5.086 1.085 -1.197 1.00 4.43 C ATOM 0 H1 ILE A 1 2.221 -0.065 0.087 1.00 13.43 H new ATOM 0 H3 ILE A 1 2.825 -1.643 0.256 1.00 13.43 H new ATOM 0 HA ILE A 1 2.705 0.093 -2.007 1.00 40.03 H new ATOM 0 HB ILE A 1 4.431 -2.314 -1.289 1.00 32.50 H new ATOM 0 HG12 ILE A 1 4.644 -0.404 0.266 1.00 42.53 H new ATOM 0 HG13 ILE A 1 6.114 -0.700 -0.641 1.00 42.53 H new ATOM 0 HG21 ILE A 1 5.948 -1.492 -3.045 1.00 75.23 H new ATOM 0 HG22 ILE A 1 4.360 -1.945 -3.707 1.00 75.23 H new ATOM 0 HG23 ILE A 1 4.768 -0.229 -3.469 1.00 75.23 H new ATOM 0 HD11 ILE A 1 5.646 1.696 -0.490 1.00 4.43 H new ATOM 0 HD12 ILE A 1 5.553 1.148 -2.180 1.00 4.43 H new ATOM 0 HD13 ILE A 1 4.060 1.449 -1.258 1.00 4.43 H new ATOM 20 N TYR A 2 1.504 -2.928 -2.098 1.00 54.15 N ATOM 21 CA TYR A 2 0.776 -3.895 -2.912 1.00 45.34 C ATOM 22 C TYR A 2 -0.601 -3.360 -3.293 1.00 44.24 C ATOM 23 O TYR A 2 -1.330 -3.984 -4.064 1.00 64.03 O ATOM 24 CB TYR A 2 0.631 -5.219 -2.161 1.00 5.01 C ATOM 25 CG TYR A 2 1.941 -5.948 -1.961 1.00 72.54 C ATOM 26 CD1 TYR A 2 2.831 -5.560 -0.968 1.00 13.45 C ATOM 27 CD2 TYR A 2 2.288 -7.026 -2.767 1.00 5.31 C ATOM 28 CE1 TYR A 2 4.028 -6.223 -0.782 1.00 4.51 C ATOM 29 CE2 TYR A 2 3.483 -7.695 -2.588 1.00 23.45 C ATOM 30 CZ TYR A 2 4.350 -7.290 -1.594 1.00 31.10 C ATOM 31 OH TYR A 2 5.542 -7.954 -1.413 1.00 13.30 O ATOM 0 H TYR A 2 1.515 -3.140 -1.100 1.00 54.15 H new ATOM 0 HA TYR A 2 1.346 -4.064 -3.826 1.00 45.34 H new ATOM 0 HB2 TYR A 2 0.179 -5.027 -1.188 1.00 5.01 H new ATOM 0 HB3 TYR A 2 -0.055 -5.865 -2.709 1.00 5.01 H new ATOM 0 HD1 TYR A 2 2.583 -4.725 -0.330 1.00 13.45 H new ATOM 0 HD2 TYR A 2 1.612 -7.346 -3.546 1.00 5.31 H new ATOM 0 HE1 TYR A 2 4.708 -5.908 -0.005 1.00 4.51 H new ATOM 0 HE2 TYR A 2 3.737 -8.531 -3.223 1.00 23.45 H new ATOM 0 HH TYR A 2 5.646 -8.187 -0.467 1.00 13.30 H new ATOM 41 N TRP A 3 -0.949 -2.200 -2.748 1.00 22.10 N ATOM 42 CA TRP A 3 -2.238 -1.579 -3.030 1.00 72.44 C ATOM 43 C TRP A 3 -2.066 -0.337 -3.897 1.00 60.25 C ATOM 44 O TRP A 3 -2.928 -0.017 -4.717 1.00 2.03 O ATOM 45 CB TRP A 3 -2.947 -1.212 -1.726 1.00 0.32 C ATOM 46 CG TRP A 3 -4.315 -0.636 -1.935 1.00 31.41 C ATOM 47 CD1 TRP A 3 -5.480 -1.331 -2.096 1.00 12.52 C ATOM 48 CD2 TRP A 3 -4.659 0.751 -2.007 1.00 52.45 C ATOM 49 NE1 TRP A 3 -6.528 -0.458 -2.264 1.00 40.31 N ATOM 50 CE2 TRP A 3 -6.051 0.825 -2.213 1.00 1.30 C ATOM 51 CE3 TRP A 3 -3.928 1.939 -1.917 1.00 21.32 C ATOM 52 CZ2 TRP A 3 -6.722 2.039 -2.330 1.00 52.41 C ATOM 53 CZ3 TRP A 3 -4.596 3.143 -2.034 1.00 23.14 C ATOM 54 CH2 TRP A 3 -5.981 3.186 -2.238 1.00 13.24 C ATOM 0 H TRP A 3 -0.357 -1.670 -2.108 1.00 22.10 H new ATOM 0 HA TRP A 3 -2.848 -2.299 -3.576 1.00 72.44 H new ATOM 0 HB2 TRP A 3 -3.027 -2.102 -1.101 1.00 0.32 H new ATOM 0 HB3 TRP A 3 -2.337 -0.493 -1.179 1.00 0.32 H new ATOM 0 HD1 TRP A 3 -5.565 -2.408 -2.092 1.00 12.52 H new ATOM 0 HE1 TRP A 3 -7.503 -0.723 -2.404 1.00 40.31 H new ATOM 0 HE3 TRP A 3 -2.860 1.916 -1.759 1.00 21.32 H new ATOM 0 HZ2 TRP A 3 -7.790 2.075 -2.488 1.00 52.41 H new ATOM 0 HZ3 TRP A 3 -4.041 4.067 -1.967 1.00 23.14 H new ATOM 0 HH2 TRP A 3 -6.474 4.143 -2.324 1.00 13.24 H new ATOM 65 N ILE A 4 -0.949 0.358 -3.712 1.00 51.23 N ATOM 66 CA ILE A 4 -0.665 1.565 -4.479 1.00 62.44 C ATOM 67 C ILE A 4 -0.228 1.223 -5.900 1.00 34.40 C ATOM 68 O ILE A 4 -0.494 1.972 -6.839 1.00 72.12 O ATOM 69 CB ILE A 4 0.431 2.413 -3.808 1.00 51.51 C ATOM 70 CG1 ILE A 4 -0.058 2.941 -2.457 1.00 62.25 C ATOM 71 CG2 ILE A 4 0.840 3.564 -4.716 1.00 11.15 C ATOM 72 CD1 ILE A 4 0.733 2.413 -1.281 1.00 34.22 C ATOM 0 H ILE A 4 -0.226 0.106 -3.038 1.00 51.23 H new ATOM 0 HA ILE A 4 -1.589 2.142 -4.514 1.00 62.44 H new ATOM 0 HB ILE A 4 1.304 1.783 -3.637 1.00 51.51 H new ATOM 0 HG12 ILE A 4 -0.005 4.030 -2.461 1.00 62.25 H new ATOM 0 HG13 ILE A 4 -1.107 2.673 -2.329 1.00 62.25 H new ATOM 0 HG21 ILE A 4 1.615 4.155 -4.228 1.00 11.15 H new ATOM 0 HG22 ILE A 4 1.224 3.167 -5.656 1.00 11.15 H new ATOM 0 HG23 ILE A 4 -0.026 4.196 -4.915 1.00 11.15 H new ATOM 0 HD11 ILE A 4 0.332 2.828 -0.357 1.00 34.22 H new ATOM 0 HD12 ILE A 4 0.660 1.326 -1.252 1.00 34.22 H new ATOM 0 HD13 ILE A 4 1.778 2.704 -1.386 1.00 34.22 H new ATOM 84 N ALA A 5 0.442 0.085 -6.049 1.00 71.34 N ATOM 85 CA ALA A 5 0.912 -0.359 -7.356 1.00 31.01 C ATOM 86 C ALA A 5 -0.257 -0.713 -8.269 1.00 32.23 C ATOM 87 O ALA A 5 -0.102 -0.799 -9.487 1.00 20.31 O ATOM 88 CB ALA A 5 1.845 -1.551 -7.204 1.00 43.10 C ATOM 0 H ALA A 5 0.672 -0.546 -5.281 1.00 71.34 H new ATOM 0 HA ALA A 5 1.462 0.463 -7.815 1.00 31.01 H new ATOM 0 HB1 ALA A 5 2.188 -1.872 -8.187 1.00 43.10 H new ATOM 0 HB2 ALA A 5 2.703 -1.266 -6.595 1.00 43.10 H new ATOM 0 HB3 ALA A 5 1.313 -2.370 -6.720 1.00 43.10 H new ATOM 94 N ASP A 6 -1.426 -0.918 -7.672 1.00 73.11 N ATOM 95 CA ASP A 6 -2.622 -1.263 -8.432 1.00 14.20 C ATOM 96 C ASP A 6 -3.415 -0.011 -8.795 1.00 71.11 C ATOM 97 O ASP A 6 -3.574 0.314 -9.971 1.00 44.52 O ATOM 98 CB ASP A 6 -3.502 -2.224 -7.631 1.00 21.10 C ATOM 99 CG ASP A 6 -2.826 -3.558 -7.384 1.00 62.43 C ATOM 100 OD1 ASP A 6 -1.829 -3.855 -8.076 1.00 13.12 O ATOM 101 OD2 ASP A 6 -3.294 -4.307 -6.500 1.00 44.34 O ATOM 0 H ASP A 6 -1.571 -0.851 -6.665 1.00 73.11 H new ATOM 0 HA ASP A 6 -2.308 -1.753 -9.354 1.00 14.20 H new ATOM 0 HB2 ASP A 6 -3.758 -1.767 -6.675 1.00 21.10 H new ATOM 0 HB3 ASP A 6 -4.437 -2.387 -8.166 1.00 21.10 H new ATOM 106 N GLN A 7 -3.911 0.685 -7.777 1.00 40.12 N ATOM 107 CA GLN A 7 -4.689 1.900 -7.990 1.00 62.12 C ATOM 108 C GLN A 7 -3.871 2.945 -8.742 1.00 0.24 C ATOM 109 O GLN A 7 -4.218 3.336 -9.856 1.00 63.15 O ATOM 110 CB GLN A 7 -5.161 2.470 -6.651 1.00 65.04 C ATOM 111 CG GLN A 7 -6.057 1.524 -5.869 1.00 61.42 C ATOM 112 CD GLN A 7 -7.458 1.439 -6.442 1.00 42.53 C ATOM 113 OE1 GLN A 7 -7.650 1.520 -7.656 1.00 34.01 O ATOM 114 NE2 GLN A 7 -8.446 1.276 -5.570 1.00 43.31 N ATOM 0 H GLN A 7 -3.788 0.429 -6.797 1.00 40.12 H new ATOM 0 HA GLN A 7 -5.559 1.643 -8.594 1.00 62.12 H new ATOM 0 HB2 GLN A 7 -4.290 2.717 -6.044 1.00 65.04 H new ATOM 0 HB3 GLN A 7 -5.699 3.401 -6.831 1.00 65.04 H new ATOM 0 HG2 GLN A 7 -5.611 0.530 -5.862 1.00 61.42 H new ATOM 0 HG3 GLN A 7 -6.112 1.856 -4.832 1.00 61.42 H new ATOM 0 HE21 GLN A 7 -8.241 1.214 -4.573 1.00 43.31 H new ATOM 0 HE22 GLN A 7 -9.410 1.213 -5.897 1.00 43.31 H new ATOM 123 N PHE A 8 -2.784 3.395 -8.124 1.00 22.13 N ATOM 124 CA PHE A 8 -1.917 4.396 -8.734 1.00 1.44 C ATOM 125 C PHE A 8 -1.018 3.765 -9.793 1.00 2.14 C ATOM 126 O PHE A 8 -1.207 3.977 -10.990 1.00 3.44 O ATOM 127 CB PHE A 8 -1.062 5.081 -7.665 1.00 31.32 C ATOM 128 CG PHE A 8 -1.868 5.703 -6.561 1.00 21.15 C ATOM 129 CD1 PHE A 8 -2.362 4.927 -5.524 1.00 55.43 C ATOM 130 CD2 PHE A 8 -2.131 7.063 -6.559 1.00 53.20 C ATOM 131 CE1 PHE A 8 -3.104 5.497 -4.506 1.00 71.13 C ATOM 132 CE2 PHE A 8 -2.872 7.638 -5.544 1.00 2.24 C ATOM 133 CZ PHE A 8 -3.360 6.854 -4.517 1.00 21.03 C ATOM 0 H PHE A 8 -2.483 3.082 -7.201 1.00 22.13 H new ATOM 0 HA PHE A 8 -2.549 5.141 -9.217 1.00 1.44 H new ATOM 0 HB2 PHE A 8 -0.376 4.350 -7.236 1.00 31.32 H new ATOM 0 HB3 PHE A 8 -0.452 5.851 -8.137 1.00 31.32 H new ATOM 0 HD1 PHE A 8 -2.165 3.865 -5.511 1.00 55.43 H new ATOM 0 HD2 PHE A 8 -1.753 7.681 -7.360 1.00 53.20 H new ATOM 0 HE1 PHE A 8 -3.483 4.882 -3.703 1.00 71.13 H new ATOM 0 HE2 PHE A 8 -3.069 8.700 -5.554 1.00 2.24 H new ATOM 0 HZ PHE A 8 -3.941 7.301 -3.724 1.00 21.03 H new ATOM 143 N GLY A 9 -0.038 2.988 -9.342 1.00 22.33 N ATOM 144 CA GLY A 9 0.877 2.338 -10.262 1.00 73.12 C ATOM 145 C GLY A 9 1.486 3.307 -11.256 1.00 14.33 C ATOM 146 O GLY A 9 0.997 3.445 -12.378 1.00 30.04 O ATOM 0 H GLY A 9 0.139 2.797 -8.356 1.00 22.33 H new ATOM 0 HA2 GLY A 9 1.673 1.854 -9.696 1.00 73.12 H new ATOM 0 HA3 GLY A 9 0.348 1.553 -10.802 1.00 73.12 H new ATOM 150 N ILE A 10 2.553 3.982 -10.843 1.00 65.24 N ATOM 151 CA ILE A 10 3.229 4.944 -11.706 1.00 33.34 C ATOM 152 C ILE A 10 4.375 4.288 -12.468 1.00 3.40 C ATOM 153 O ILE A 10 5.537 4.665 -12.308 1.00 31.31 O ATOM 154 CB ILE A 10 3.778 6.135 -10.898 1.00 63.44 C ATOM 155 CG1 ILE A 10 2.700 6.687 -9.964 1.00 75.14 C ATOM 156 CG2 ILE A 10 4.283 7.222 -11.835 1.00 73.13 C ATOM 157 CD1 ILE A 10 3.199 7.777 -9.043 1.00 11.44 C ATOM 0 H ILE A 10 2.968 3.881 -9.917 1.00 65.24 H new ATOM 0 HA ILE A 10 2.487 5.309 -12.416 1.00 33.34 H new ATOM 0 HB ILE A 10 4.614 5.789 -10.291 1.00 63.44 H new ATOM 0 HG12 ILE A 10 1.877 7.077 -10.563 1.00 75.14 H new ATOM 0 HG13 ILE A 10 2.298 5.871 -9.363 1.00 75.14 H new ATOM 0 HG21 ILE A 10 4.668 8.057 -11.250 1.00 73.13 H new ATOM 0 HG22 ILE A 10 5.079 6.821 -12.462 1.00 73.13 H new ATOM 0 HG23 ILE A 10 3.464 7.568 -12.466 1.00 73.13 H new ATOM 0 HD11 ILE A 10 2.381 8.121 -8.410 1.00 11.44 H new ATOM 0 HD12 ILE A 10 4.002 7.386 -8.418 1.00 11.44 H new ATOM 0 HD13 ILE A 10 3.574 8.611 -9.636 1.00 11.44 H new ATOM 169 N HIS A 11 4.041 3.307 -13.300 1.00 21.44 N ATOM 170 CA HIS A 11 5.043 2.600 -14.090 1.00 31.22 C ATOM 171 C HIS A 11 6.181 2.102 -13.204 1.00 44.43 C ATOM 172 O HIS A 11 7.329 2.010 -13.644 1.00 35.35 O ATOM 173 CB HIS A 11 5.595 3.512 -15.186 1.00 31.31 C ATOM 174 CG HIS A 11 4.600 3.828 -16.260 1.00 34.15 C ATOM 175 ND1 HIS A 11 4.700 3.341 -17.546 1.00 0.32 N ATOM 176 CD2 HIS A 11 3.478 4.585 -16.232 1.00 2.31 C ATOM 177 CE1 HIS A 11 3.684 3.787 -18.263 1.00 44.24 C ATOM 178 NE2 HIS A 11 2.928 4.544 -17.489 1.00 52.13 N ATOM 0 H HIS A 11 3.085 2.983 -13.445 1.00 21.44 H new ATOM 0 HA HIS A 11 4.563 1.738 -14.553 1.00 31.22 H new ATOM 0 HB2 HIS A 11 5.937 4.443 -14.734 1.00 31.31 H new ATOM 0 HB3 HIS A 11 6.466 3.037 -15.638 1.00 31.31 H new ATOM 0 HD2 HIS A 11 3.088 5.121 -15.379 1.00 2.31 H new ATOM 0 HE1 HIS A 11 3.503 3.569 -19.305 1.00 44.24 H new ATOM 0 HE2 HIS A 11 2.074 5.021 -17.778 1.00 52.13 H new ATOM 186 N LEU A 12 5.858 1.784 -11.956 1.00 13.32 N ATOM 187 CA LEU A 12 6.853 1.297 -11.008 1.00 24.23 C ATOM 188 C LEU A 12 7.464 -0.016 -11.486 1.00 60.44 C ATOM 189 O LEU A 12 8.528 -0.424 -11.021 1.00 41.42 O ATOM 190 CB LEU A 12 6.222 1.106 -9.628 1.00 33.43 C ATOM 191 CG LEU A 12 5.754 -0.311 -9.294 1.00 72.42 C ATOM 192 CD1 LEU A 12 6.881 -1.110 -8.659 1.00 22.14 C ATOM 193 CD2 LEU A 12 4.542 -0.270 -8.374 1.00 63.32 C ATOM 0 H LEU A 12 4.914 1.855 -11.577 1.00 13.32 H new ATOM 0 HA LEU A 12 7.646 2.041 -10.938 1.00 24.23 H new ATOM 0 HB2 LEU A 12 6.946 1.415 -8.874 1.00 33.43 H new ATOM 0 HB3 LEU A 12 5.368 1.778 -9.545 1.00 33.43 H new ATOM 0 HG LEU A 12 5.464 -0.805 -10.221 1.00 72.42 H new ATOM 0 HD11 LEU A 12 6.529 -2.115 -8.428 1.00 22.14 H new ATOM 0 HD12 LEU A 12 7.720 -1.169 -9.352 1.00 22.14 H new ATOM 0 HD13 LEU A 12 7.203 -0.619 -7.741 1.00 22.14 H new ATOM 0 HD21 LEU A 12 4.223 -1.287 -8.147 1.00 63.32 H new ATOM 0 HD22 LEU A 12 4.805 0.243 -7.449 1.00 63.32 H new ATOM 0 HD23 LEU A 12 3.729 0.264 -8.867 1.00 63.32 H new ATOM 205 N ALA A 13 6.784 -0.674 -12.420 1.00 50.42 N ATOM 206 CA ALA A 13 7.262 -1.938 -12.965 1.00 75.32 C ATOM 207 C ALA A 13 8.396 -1.714 -13.959 1.00 73.35 C ATOM 208 O ALA A 13 8.305 -2.113 -15.121 1.00 44.23 O ATOM 209 CB ALA A 13 6.118 -2.693 -13.627 1.00 62.01 C ATOM 0 H ALA A 13 5.900 -0.352 -12.815 1.00 50.42 H new ATOM 0 HA ALA A 13 7.650 -2.537 -12.141 1.00 75.32 H new ATOM 0 HB1 ALA A 13 6.489 -3.635 -14.030 1.00 62.01 H new ATOM 0 HB2 ALA A 13 5.340 -2.894 -12.890 1.00 62.01 H new ATOM 0 HB3 ALA A 13 5.704 -2.091 -14.436 1.00 62.01 H new ATOM 215 N THR A 14 9.464 -1.073 -13.497 1.00 4.04 N ATOM 216 CA THR A 14 10.616 -0.794 -14.346 1.00 33.23 C ATOM 217 C THR A 14 11.286 -2.084 -14.805 1.00 33.24 C ATOM 218 O THR A 14 12.117 -2.075 -15.711 1.00 40.14 O ATOM 219 CB THR A 14 11.654 0.079 -13.616 1.00 31.33 C ATOM 220 OG1 THR A 14 12.786 0.306 -14.463 1.00 74.20 O ATOM 221 CG2 THR A 14 12.106 -0.585 -12.324 1.00 23.02 C ATOM 0 H THR A 14 9.556 -0.737 -12.538 1.00 4.04 H new ATOM 0 HA THR A 14 10.244 -0.252 -15.215 1.00 33.23 H new ATOM 0 HB THR A 14 11.187 1.033 -13.372 1.00 31.33 H new ATOM 0 HG1 THR A 14 12.876 -0.437 -15.095 1.00 74.20 H new ATOM 0 HG21 THR A 14 12.839 0.050 -11.826 1.00 23.02 H new ATOM 0 HG22 THR A 14 11.247 -0.730 -11.669 1.00 23.02 H new ATOM 0 HG23 THR A 14 12.557 -1.551 -12.550 1.00 23.02 H new ATOM 229 N GLY A 15 10.918 -3.194 -14.172 1.00 73.41 N ATOM 230 CA GLY A 15 11.493 -4.478 -14.530 1.00 40.34 C ATOM 231 C GLY A 15 12.690 -4.837 -13.672 1.00 14.53 C ATOM 232 O GLY A 15 13.138 -5.984 -13.665 1.00 54.30 O ATOM 0 H GLY A 15 10.232 -3.227 -13.418 1.00 73.41 H new ATOM 0 HA2 GLY A 15 10.733 -5.253 -14.431 1.00 40.34 H new ATOM 0 HA3 GLY A 15 11.794 -4.459 -15.578 1.00 40.34 H new ATOM 236 N THR A 16 13.211 -3.853 -12.945 1.00 42.22 N ATOM 237 CA THR A 16 14.365 -4.070 -12.081 1.00 52.44 C ATOM 238 C THR A 16 13.937 -4.268 -10.632 1.00 13.22 C ATOM 239 O THR A 16 14.677 -4.833 -9.828 1.00 22.11 O ATOM 240 CB THR A 16 15.352 -2.890 -12.156 1.00 43.14 C ATOM 241 OG1 THR A 16 15.802 -2.712 -13.504 1.00 71.33 O ATOM 242 CG2 THR A 16 16.547 -3.126 -11.245 1.00 2.52 C ATOM 0 H THR A 16 12.852 -2.898 -12.938 1.00 42.22 H new ATOM 0 HA THR A 16 14.861 -4.973 -12.437 1.00 52.44 H new ATOM 0 HB THR A 16 14.834 -1.990 -11.825 1.00 43.14 H new ATOM 0 HG1 THR A 16 16.428 -1.959 -13.543 1.00 71.33 H new ATOM 0 HG21 THR A 16 17.230 -2.280 -11.315 1.00 2.52 H new ATOM 0 HG22 THR A 16 16.204 -3.232 -10.216 1.00 2.52 H new ATOM 0 HG23 THR A 16 17.064 -4.036 -11.551 1.00 2.52 H new ATOM 250 N ALA A 17 12.737 -3.799 -10.305 1.00 33.42 N ATOM 251 CA ALA A 17 12.209 -3.928 -8.952 1.00 42.01 C ATOM 252 C ALA A 17 11.447 -5.238 -8.782 1.00 55.54 C ATOM 253 O ALA A 17 11.274 -5.726 -7.666 1.00 13.03 O ATOM 254 CB ALA A 17 11.311 -2.745 -8.621 1.00 61.22 C ATOM 0 H ALA A 17 12.112 -3.326 -10.958 1.00 33.42 H new ATOM 0 HA ALA A 17 13.051 -3.936 -8.259 1.00 42.01 H new ATOM 0 HB1 ALA A 17 10.924 -2.854 -7.608 1.00 61.22 H new ATOM 0 HB2 ALA A 17 11.885 -1.821 -8.692 1.00 61.22 H new ATOM 0 HB3 ALA A 17 10.480 -2.711 -9.325 1.00 61.22 H new ATOM 260 N ARG A 18 10.992 -5.801 -9.897 1.00 52.30 N ATOM 261 CA ARG A 18 10.246 -7.053 -9.871 1.00 14.02 C ATOM 262 C ARG A 18 11.002 -8.120 -9.086 1.00 24.50 C ATOM 263 O ARG A 18 10.400 -8.948 -8.402 1.00 32.10 O ATOM 264 CB ARG A 18 9.981 -7.544 -11.295 1.00 42.45 C ATOM 265 CG ARG A 18 8.572 -8.074 -11.505 1.00 63.22 C ATOM 266 CD ARG A 18 7.620 -6.970 -11.936 1.00 73.04 C ATOM 267 NE ARG A 18 7.539 -6.854 -13.390 1.00 11.51 N ATOM 268 CZ ARG A 18 6.524 -6.279 -14.026 1.00 2.42 C ATOM 269 NH1 ARG A 18 5.510 -5.770 -13.340 1.00 21.14 N ATOM 270 NH2 ARG A 18 6.523 -6.211 -15.351 1.00 11.10 N ATOM 0 H ARG A 18 11.127 -5.410 -10.829 1.00 52.30 H new ATOM 0 HA ARG A 18 9.293 -6.868 -9.375 1.00 14.02 H new ATOM 0 HB2 ARG A 18 10.159 -6.725 -11.992 1.00 42.45 H new ATOM 0 HB3 ARG A 18 10.696 -8.330 -11.538 1.00 42.45 H new ATOM 0 HG2 ARG A 18 8.586 -8.859 -12.261 1.00 63.22 H new ATOM 0 HG3 ARG A 18 8.211 -8.527 -10.582 1.00 63.22 H new ATOM 0 HD2 ARG A 18 6.627 -7.169 -11.532 1.00 73.04 H new ATOM 0 HD3 ARG A 18 7.951 -6.021 -11.514 1.00 73.04 H new ATOM 0 HE ARG A 18 8.303 -7.235 -13.947 1.00 11.51 H new ATOM 0 HH11 ARG A 18 5.508 -5.819 -12.321 1.00 21.14 H new ATOM 0 HH12 ARG A 18 4.732 -5.329 -13.831 1.00 21.14 H new ATOM 0 HH21 ARG A 18 7.302 -6.600 -15.882 1.00 11.10 H new ATOM 0 HH22 ARG A 18 5.743 -5.769 -15.838 1.00 11.10 H new ATOM 284 N LYS A 19 12.327 -8.096 -9.190 1.00 31.11 N ATOM 285 CA LYS A 19 13.168 -9.060 -8.490 1.00 74.31 C ATOM 286 C LYS A 19 13.162 -8.798 -6.988 1.00 12.44 C ATOM 287 O LYS A 19 13.129 -9.731 -6.184 1.00 50.40 O ATOM 288 CB LYS A 19 14.601 -9.000 -9.024 1.00 34.14 C ATOM 289 CG LYS A 19 15.254 -7.639 -8.859 1.00 24.11 C ATOM 290 CD LYS A 19 16.177 -7.319 -10.023 1.00 52.11 C ATOM 291 CE LYS A 19 17.431 -8.178 -9.993 1.00 24.32 C ATOM 292 NZ LYS A 19 18.391 -7.723 -8.949 1.00 13.22 N ATOM 0 H LYS A 19 12.842 -7.419 -9.753 1.00 31.11 H new ATOM 0 HA LYS A 19 12.762 -10.056 -8.668 1.00 74.31 H new ATOM 0 HB2 LYS A 19 15.204 -9.748 -8.509 1.00 34.14 H new ATOM 0 HB3 LYS A 19 14.598 -9.267 -10.081 1.00 34.14 H new ATOM 0 HG2 LYS A 19 14.484 -6.872 -8.783 1.00 24.11 H new ATOM 0 HG3 LYS A 19 15.820 -7.616 -7.928 1.00 24.11 H new ATOM 0 HD2 LYS A 19 15.648 -7.479 -10.963 1.00 52.11 H new ATOM 0 HD3 LYS A 19 16.455 -6.266 -9.989 1.00 52.11 H new ATOM 0 HE2 LYS A 19 17.156 -9.216 -9.805 1.00 24.32 H new ATOM 0 HE3 LYS A 19 17.915 -8.148 -10.969 1.00 24.32 H new ATOM 0 HZ1 LYS A 19 19.273 -8.268 -9.028 1.00 13.22 H new ATOM 0 HZ2 LYS A 19 18.595 -6.712 -9.082 1.00 13.22 H new ATOM 0 HZ3 LYS A 19 17.976 -7.871 -8.007 1.00 13.22 H new ATOM 306 N LEU A 20 13.192 -7.523 -6.614 1.00 65.14 N ATOM 307 CA LEU A 20 13.189 -7.138 -5.207 1.00 41.54 C ATOM 308 C LEU A 20 11.881 -7.542 -4.535 1.00 62.20 C ATOM 309 O LEU A 20 11.883 -8.131 -3.453 1.00 61.54 O ATOM 310 CB LEU A 20 13.400 -5.629 -5.071 1.00 43.43 C ATOM 311 CG LEU A 20 14.841 -5.137 -5.215 1.00 51.33 C ATOM 312 CD1 LEU A 20 14.876 -3.623 -5.359 1.00 24.21 C ATOM 313 CD2 LEU A 20 15.678 -5.581 -4.025 1.00 33.14 C ATOM 0 H LEU A 20 13.219 -6.739 -7.266 1.00 65.14 H new ATOM 0 HA LEU A 20 14.007 -7.660 -4.711 1.00 41.54 H new ATOM 0 HB2 LEU A 20 12.789 -5.128 -5.822 1.00 43.43 H new ATOM 0 HB3 LEU A 20 13.026 -5.316 -4.096 1.00 43.43 H new ATOM 0 HG LEU A 20 15.267 -5.577 -6.117 1.00 51.33 H new ATOM 0 HD11 LEU A 20 15.909 -3.291 -5.460 1.00 24.21 H new ATOM 0 HD12 LEU A 20 14.312 -3.329 -6.244 1.00 24.21 H new ATOM 0 HD13 LEU A 20 14.432 -3.163 -4.476 1.00 24.21 H new ATOM 0 HD21 LEU A 20 16.700 -5.222 -4.145 1.00 33.14 H new ATOM 0 HD22 LEU A 20 15.254 -5.170 -3.109 1.00 33.14 H new ATOM 0 HD23 LEU A 20 15.680 -6.669 -3.968 1.00 33.14 H new ATOM 325 N LEU A 21 10.766 -7.224 -5.183 1.00 30.21 N ATOM 326 CA LEU A 21 9.450 -7.557 -4.649 1.00 53.31 C ATOM 327 C LEU A 21 9.313 -9.061 -4.435 1.00 11.31 C ATOM 328 O LEU A 21 8.499 -9.512 -3.629 1.00 54.51 O ATOM 329 CB LEU A 21 8.354 -7.063 -5.596 1.00 21.14 C ATOM 330 CG LEU A 21 7.347 -6.078 -5.001 1.00 60.01 C ATOM 331 CD1 LEU A 21 6.336 -5.648 -6.053 1.00 31.53 C ATOM 332 CD2 LEU A 21 6.642 -6.695 -3.801 1.00 44.45 C ATOM 0 H LEU A 21 10.747 -6.736 -6.079 1.00 30.21 H new ATOM 0 HA LEU A 21 9.340 -7.060 -3.685 1.00 53.31 H new ATOM 0 HB2 LEU A 21 8.830 -6.591 -6.455 1.00 21.14 H new ATOM 0 HB3 LEU A 21 7.808 -7.929 -5.970 1.00 21.14 H new ATOM 0 HG LEU A 21 7.888 -5.194 -4.664 1.00 60.01 H new ATOM 0 HD11 LEU A 21 5.627 -4.947 -5.612 1.00 31.53 H new ATOM 0 HD12 LEU A 21 6.855 -5.166 -6.881 1.00 31.53 H new ATOM 0 HD13 LEU A 21 5.800 -6.523 -6.421 1.00 31.53 H new ATOM 0 HD21 LEU A 21 5.929 -5.980 -3.390 1.00 44.45 H new ATOM 0 HD22 LEU A 21 6.113 -7.596 -4.113 1.00 44.45 H new ATOM 0 HD23 LEU A 21 7.378 -6.952 -3.039 1.00 44.45 H new ATOM 344 N ASP A 22 10.116 -9.832 -5.160 1.00 1.43 N ATOM 345 CA ASP A 22 10.087 -11.285 -5.047 1.00 23.21 C ATOM 346 C ASP A 22 11.081 -11.768 -3.995 1.00 31.40 C ATOM 347 O ASP A 22 11.391 -12.957 -3.920 1.00 2.24 O ATOM 348 CB ASP A 22 10.402 -11.929 -6.398 1.00 24.31 C ATOM 349 CG ASP A 22 9.932 -13.368 -6.477 1.00 72.30 C ATOM 350 OD1 ASP A 22 8.902 -13.691 -5.849 1.00 52.43 O ATOM 351 OD2 ASP A 22 10.594 -14.172 -7.166 1.00 61.51 O ATOM 0 H ASP A 22 10.795 -9.475 -5.832 1.00 1.43 H new ATOM 0 HA ASP A 22 9.085 -11.581 -4.737 1.00 23.21 H new ATOM 0 HB2 ASP A 22 9.929 -11.351 -7.192 1.00 24.31 H new ATOM 0 HB3 ASP A 22 11.477 -11.891 -6.574 1.00 24.31 H new ATOM 356 N ALA A 23 11.577 -10.838 -3.186 1.00 21.33 N ATOM 357 CA ALA A 23 12.535 -11.169 -2.138 1.00 33.42 C ATOM 358 C ALA A 23 12.186 -10.463 -0.832 1.00 50.12 C ATOM 359 O ALA A 23 12.294 -11.044 0.248 1.00 45.41 O ATOM 360 CB ALA A 23 13.945 -10.805 -2.577 1.00 50.42 C ATOM 0 H ALA A 23 11.331 -9.849 -3.236 1.00 21.33 H new ATOM 0 HA ALA A 23 12.487 -12.244 -1.963 1.00 33.42 H new ATOM 0 HB1 ALA A 23 14.649 -11.058 -1.785 1.00 50.42 H new ATOM 0 HB2 ALA A 23 14.200 -11.360 -3.480 1.00 50.42 H new ATOM 0 HB3 ALA A 23 13.998 -9.736 -2.782 1.00 50.42 H new ATOM 366 N VAL A 24 11.767 -9.206 -0.938 1.00 41.25 N ATOM 367 CA VAL A 24 11.402 -8.420 0.234 1.00 0.11 C ATOM 368 C VAL A 24 10.182 -9.010 0.933 1.00 4.11 C ATOM 369 O VAL A 24 10.052 -8.924 2.154 1.00 52.33 O ATOM 370 CB VAL A 24 11.107 -6.956 -0.141 1.00 55.44 C ATOM 371 CG1 VAL A 24 12.306 -6.330 -0.838 1.00 35.40 C ATOM 372 CG2 VAL A 24 9.866 -6.871 -1.018 1.00 42.21 C ATOM 0 H VAL A 24 11.672 -8.710 -1.824 1.00 41.25 H new ATOM 0 HA VAL A 24 12.255 -8.448 0.912 1.00 0.11 H new ATOM 0 HB VAL A 24 10.917 -6.396 0.775 1.00 55.44 H new ATOM 0 HG11 VAL A 24 12.078 -5.296 -1.095 1.00 35.40 H new ATOM 0 HG12 VAL A 24 13.169 -6.357 -0.172 1.00 35.40 H new ATOM 0 HG13 VAL A 24 12.531 -6.889 -1.747 1.00 35.40 H new ATOM 0 HG21 VAL A 24 9.672 -5.829 -1.274 1.00 42.21 H new ATOM 0 HG22 VAL A 24 10.025 -7.445 -1.931 1.00 42.21 H new ATOM 0 HG23 VAL A 24 9.011 -7.278 -0.478 1.00 42.21 H new ATOM 382 N ALA A 25 9.291 -9.610 0.151 1.00 65.04 N ATOM 383 CA ALA A 25 8.083 -10.217 0.695 1.00 61.15 C ATOM 384 C ALA A 25 8.423 -11.361 1.644 1.00 11.22 C ATOM 385 O ALA A 25 7.584 -11.795 2.434 1.00 43.51 O ATOM 386 CB ALA A 25 7.188 -10.712 -0.432 1.00 20.01 C ATOM 0 H ALA A 25 9.383 -9.689 -0.862 1.00 65.04 H new ATOM 0 HA ALA A 25 7.547 -9.456 1.263 1.00 61.15 H new ATOM 0 HB1 ALA A 25 6.289 -11.163 -0.011 1.00 20.01 H new ATOM 0 HB2 ALA A 25 6.909 -9.873 -1.070 1.00 20.01 H new ATOM 0 HB3 ALA A 25 7.724 -11.454 -1.023 1.00 20.01 H new ATOM 392 N SER A 26 9.658 -11.846 1.561 1.00 12.43 N ATOM 393 CA SER A 26 10.107 -12.943 2.411 1.00 51.54 C ATOM 394 C SER A 26 11.303 -12.519 3.257 1.00 24.23 C ATOM 395 O SER A 26 11.987 -13.355 3.847 1.00 3.54 O ATOM 396 CB SER A 26 10.476 -14.158 1.558 1.00 52.24 C ATOM 397 OG SER A 26 9.324 -14.911 1.218 1.00 44.10 O ATOM 0 H SER A 26 10.365 -11.497 0.914 1.00 12.43 H new ATOM 0 HA SER A 26 9.289 -13.212 3.079 1.00 51.54 H new ATOM 0 HB2 SER A 26 10.980 -13.829 0.650 1.00 52.24 H new ATOM 0 HB3 SER A 26 11.179 -14.789 2.102 1.00 52.24 H new ATOM 0 HG SER A 26 9.586 -15.681 0.671 1.00 44.10 H new ATOM 403 N GLY A 27 11.550 -11.214 3.312 1.00 50.34 N ATOM 404 CA GLY A 27 12.664 -10.701 4.088 1.00 52.22 C ATOM 405 C GLY A 27 13.310 -9.490 3.444 1.00 12.25 C ATOM 406 O GLY A 27 14.363 -9.599 2.818 1.00 23.30 O ATOM 0 H GLY A 27 10.998 -10.502 2.833 1.00 50.34 H new ATOM 0 HA2 GLY A 27 12.316 -10.436 5.086 1.00 52.22 H new ATOM 0 HA3 GLY A 27 13.411 -11.486 4.209 1.00 52.22 H new ATOM 410 N ALA A 28 12.676 -8.332 3.598 1.00 42.32 N ATOM 411 CA ALA A 28 13.196 -7.095 3.027 1.00 31.23 C ATOM 412 C ALA A 28 14.436 -6.622 3.779 1.00 35.20 C ATOM 413 O ALA A 28 14.350 -5.765 4.659 1.00 65.53 O ATOM 414 CB ALA A 28 12.124 -6.016 3.042 1.00 52.34 C ATOM 0 H ALA A 28 11.802 -8.225 4.113 1.00 42.32 H new ATOM 0 HA ALA A 28 13.483 -7.293 1.994 1.00 31.23 H new ATOM 0 HB1 ALA A 28 12.526 -5.098 2.613 1.00 52.34 H new ATOM 0 HB2 ALA A 28 11.267 -6.346 2.455 1.00 52.34 H new ATOM 0 HB3 ALA A 28 11.810 -5.829 4.069 1.00 52.34 H new ATOM 420 N SER A 29 15.586 -7.186 3.427 1.00 25.52 N ATOM 421 CA SER A 29 16.843 -6.825 4.072 1.00 24.42 C ATOM 422 C SER A 29 17.522 -5.675 3.334 1.00 30.33 C ATOM 423 O SER A 29 18.098 -4.779 3.953 1.00 61.23 O ATOM 424 CB SER A 29 17.779 -8.034 4.126 1.00 23.50 C ATOM 425 OG SER A 29 17.654 -8.722 5.359 1.00 74.34 O ATOM 0 H SER A 29 15.674 -7.895 2.699 1.00 25.52 H new ATOM 0 HA SER A 29 16.621 -6.501 5.089 1.00 24.42 H new ATOM 0 HB2 SER A 29 17.551 -8.712 3.303 1.00 23.50 H new ATOM 0 HB3 SER A 29 18.810 -7.706 3.992 1.00 23.50 H new ATOM 0 HG SER A 29 18.261 -9.491 5.367 1.00 74.34 H new ATOM 431 N LEU A 30 17.450 -5.707 2.008 1.00 34.23 N ATOM 432 CA LEU A 30 18.056 -4.668 1.184 1.00 43.13 C ATOM 433 C LEU A 30 17.615 -3.282 1.643 1.00 44.21 C ATOM 434 O LEU A 30 16.476 -3.090 2.066 1.00 24.15 O ATOM 435 CB LEU A 30 17.684 -4.873 -0.286 1.00 23.22 C ATOM 436 CG LEU A 30 18.840 -5.206 -1.231 1.00 12.45 C ATOM 437 CD1 LEU A 30 19.964 -4.194 -1.075 1.00 43.43 C ATOM 438 CD2 LEU A 30 19.350 -6.616 -0.974 1.00 31.15 C ATOM 0 H LEU A 30 16.978 -6.441 1.481 1.00 34.23 H new ATOM 0 HA LEU A 30 19.138 -4.739 1.292 1.00 43.13 H new ATOM 0 HB2 LEU A 30 16.950 -5.676 -0.346 1.00 23.22 H new ATOM 0 HB3 LEU A 30 17.196 -3.967 -0.646 1.00 23.22 H new ATOM 0 HG LEU A 30 18.473 -5.156 -2.256 1.00 12.45 H new ATOM 0 HD11 LEU A 30 20.778 -4.446 -1.755 1.00 43.43 H new ATOM 0 HD12 LEU A 30 19.591 -3.197 -1.310 1.00 43.43 H new ATOM 0 HD13 LEU A 30 20.330 -4.212 -0.048 1.00 43.43 H new ATOM 0 HD21 LEU A 30 20.172 -6.835 -1.655 1.00 31.15 H new ATOM 0 HD22 LEU A 30 19.701 -6.694 0.055 1.00 31.15 H new ATOM 0 HD23 LEU A 30 18.543 -7.330 -1.137 1.00 31.15 H new ATOM 450 N GLY A 31 18.526 -2.317 1.554 1.00 52.35 N ATOM 451 CA GLY A 31 18.211 -0.960 1.961 1.00 21.04 C ATOM 452 C GLY A 31 18.535 0.058 0.886 1.00 11.44 C ATOM 453 O GLY A 31 17.848 1.071 0.752 1.00 15.40 O ATOM 0 H GLY A 31 19.476 -2.451 1.207 1.00 52.35 H new ATOM 0 HA2 GLY A 31 17.152 -0.896 2.211 1.00 21.04 H new ATOM 0 HA3 GLY A 31 18.767 -0.717 2.866 1.00 21.04 H new ATOM 457 N THR A 32 19.587 -0.208 0.118 1.00 75.41 N ATOM 458 CA THR A 32 20.002 0.694 -0.949 1.00 22.43 C ATOM 459 C THR A 32 19.210 0.437 -2.225 1.00 51.35 C ATOM 460 O THR A 32 18.693 1.367 -2.843 1.00 52.35 O ATOM 461 CB THR A 32 21.505 0.549 -1.253 1.00 22.11 C ATOM 462 OG1 THR A 32 22.207 0.139 -0.074 1.00 35.32 O ATOM 463 CG2 THR A 32 22.083 1.861 -1.762 1.00 61.32 C ATOM 0 H THR A 32 20.167 -1.041 0.215 1.00 75.41 H new ATOM 0 HA THR A 32 19.805 1.708 -0.601 1.00 22.43 H new ATOM 0 HB THR A 32 21.624 -0.208 -2.028 1.00 22.11 H new ATOM 0 HG1 THR A 32 23.161 0.048 -0.277 1.00 35.32 H new ATOM 0 HG21 THR A 32 23.145 1.734 -1.970 1.00 61.32 H new ATOM 0 HG22 THR A 32 21.567 2.156 -2.676 1.00 61.32 H new ATOM 0 HG23 THR A 32 21.951 2.635 -1.005 1.00 61.32 H new ATOM 471 N ALA A 33 19.118 -0.830 -2.615 1.00 60.00 N ATOM 472 CA ALA A 33 18.386 -1.209 -3.817 1.00 51.52 C ATOM 473 C ALA A 33 16.935 -0.746 -3.745 1.00 34.14 C ATOM 474 O ALA A 33 16.396 -0.205 -4.710 1.00 51.13 O ATOM 475 CB ALA A 33 18.452 -2.715 -4.023 1.00 43.54 C ATOM 0 H ALA A 33 19.542 -1.612 -2.115 1.00 60.00 H new ATOM 0 HA ALA A 33 18.855 -0.716 -4.669 1.00 51.52 H new ATOM 0 HB1 ALA A 33 17.901 -2.983 -4.924 1.00 43.54 H new ATOM 0 HB2 ALA A 33 19.492 -3.023 -4.129 1.00 43.54 H new ATOM 0 HB3 ALA A 33 18.010 -3.219 -3.164 1.00 43.54 H new ATOM 481 N PHE A 34 16.306 -0.963 -2.594 1.00 21.40 N ATOM 482 CA PHE A 34 14.916 -0.570 -2.396 1.00 71.31 C ATOM 483 C PHE A 34 14.772 0.949 -2.416 1.00 61.32 C ATOM 484 O PHE A 34 13.739 1.480 -2.822 1.00 72.31 O ATOM 485 CB PHE A 34 14.390 -1.126 -1.071 1.00 61.11 C ATOM 486 CG PHE A 34 12.920 -1.433 -1.091 1.00 10.11 C ATOM 487 CD1 PHE A 34 12.400 -2.338 -2.002 1.00 51.01 C ATOM 488 CD2 PHE A 34 12.058 -0.817 -0.198 1.00 41.20 C ATOM 489 CE1 PHE A 34 11.047 -2.621 -2.023 1.00 24.41 C ATOM 490 CE2 PHE A 34 10.705 -1.097 -0.214 1.00 14.42 C ATOM 491 CZ PHE A 34 10.199 -2.001 -1.127 1.00 11.11 C ATOM 0 H PHE A 34 16.737 -1.409 -1.784 1.00 21.40 H new ATOM 0 HA PHE A 34 14.328 -0.984 -3.215 1.00 71.31 H new ATOM 0 HB2 PHE A 34 14.939 -2.034 -0.824 1.00 61.11 H new ATOM 0 HB3 PHE A 34 14.592 -0.406 -0.278 1.00 61.11 H new ATOM 0 HD1 PHE A 34 13.059 -2.828 -2.704 1.00 51.01 H new ATOM 0 HD2 PHE A 34 12.448 -0.110 0.519 1.00 41.20 H new ATOM 0 HE1 PHE A 34 10.654 -3.327 -2.740 1.00 24.41 H new ATOM 0 HE2 PHE A 34 10.044 -0.609 0.487 1.00 14.42 H new ATOM 0 HZ PHE A 34 9.142 -2.223 -1.140 1.00 11.11 H new ATOM 501 N ALA A 35 15.816 1.642 -1.974 1.00 64.22 N ATOM 502 CA ALA A 35 15.808 3.099 -1.942 1.00 51.04 C ATOM 503 C ALA A 35 16.094 3.680 -3.323 1.00 71.00 C ATOM 504 O ALA A 35 15.733 4.820 -3.614 1.00 4.12 O ATOM 505 CB ALA A 35 16.824 3.611 -0.932 1.00 34.34 C ATOM 0 H ALA A 35 16.678 1.218 -1.633 1.00 64.22 H new ATOM 0 HA ALA A 35 14.813 3.425 -1.638 1.00 51.04 H new ATOM 0 HB1 ALA A 35 16.807 4.701 -0.919 1.00 34.34 H new ATOM 0 HB2 ALA A 35 16.574 3.232 0.059 1.00 34.34 H new ATOM 0 HB3 ALA A 35 17.820 3.267 -1.211 1.00 34.34 H new ATOM 511 N ALA A 36 16.744 2.889 -4.170 1.00 24.33 N ATOM 512 CA ALA A 36 17.077 3.324 -5.520 1.00 44.52 C ATOM 513 C ALA A 36 15.881 3.180 -6.454 1.00 52.04 C ATOM 514 O ALA A 36 15.850 3.770 -7.535 1.00 2.44 O ATOM 515 CB ALA A 36 18.263 2.534 -6.052 1.00 65.15 C ATOM 0 H ALA A 36 17.051 1.943 -3.944 1.00 24.33 H new ATOM 0 HA ALA A 36 17.347 4.379 -5.479 1.00 44.52 H new ATOM 0 HB1 ALA A 36 18.500 2.870 -7.061 1.00 65.15 H new ATOM 0 HB2 ALA A 36 19.126 2.692 -5.405 1.00 65.15 H new ATOM 0 HB3 ALA A 36 18.014 1.473 -6.072 1.00 65.15 H new ATOM 521 N ILE A 37 14.898 2.392 -6.032 1.00 63.41 N ATOM 522 CA ILE A 37 13.700 2.171 -6.832 1.00 33.45 C ATOM 523 C ILE A 37 12.531 3.000 -6.311 1.00 10.31 C ATOM 524 O ILE A 37 11.611 3.335 -7.059 1.00 2.24 O ATOM 525 CB ILE A 37 13.296 0.684 -6.841 1.00 55.52 C ATOM 526 CG1 ILE A 37 13.133 0.168 -5.410 1.00 51.31 C ATOM 527 CG2 ILE A 37 14.329 -0.141 -7.593 1.00 40.44 C ATOM 528 CD1 ILE A 37 12.409 -1.157 -5.324 1.00 54.14 C ATOM 0 H ILE A 37 14.908 1.896 -5.141 1.00 63.41 H new ATOM 0 HA ILE A 37 13.938 2.481 -7.850 1.00 33.45 H new ATOM 0 HB ILE A 37 12.339 0.586 -7.353 1.00 55.52 H new ATOM 0 HG12 ILE A 37 14.118 0.065 -4.955 1.00 51.31 H new ATOM 0 HG13 ILE A 37 12.588 0.909 -4.825 1.00 51.31 H new ATOM 0 HG21 ILE A 37 14.029 -1.189 -7.591 1.00 40.44 H new ATOM 0 HG22 ILE A 37 14.400 0.214 -8.621 1.00 40.44 H new ATOM 0 HG23 ILE A 37 15.299 -0.040 -7.107 1.00 40.44 H new ATOM 0 HD11 ILE A 37 12.330 -1.461 -4.280 1.00 54.14 H new ATOM 0 HD12 ILE A 37 11.410 -1.054 -5.749 1.00 54.14 H new ATOM 0 HD13 ILE A 37 12.964 -1.912 -5.881 1.00 54.14 H new ATOM 540 N LEU A 38 12.574 3.331 -5.025 1.00 33.51 N ATOM 541 CA LEU A 38 11.519 4.124 -4.403 1.00 71.32 C ATOM 542 C LEU A 38 11.904 5.599 -4.354 1.00 21.21 C ATOM 543 O LEU A 38 11.301 6.384 -3.624 1.00 50.30 O ATOM 544 CB LEU A 38 11.234 3.612 -2.990 1.00 63.41 C ATOM 545 CG LEU A 38 10.076 2.623 -2.855 1.00 70.43 C ATOM 546 CD1 LEU A 38 10.508 1.232 -3.294 1.00 73.03 C ATOM 547 CD2 LEU A 38 9.561 2.596 -1.424 1.00 3.05 C ATOM 0 H LEU A 38 13.328 3.063 -4.393 1.00 33.51 H new ATOM 0 HA LEU A 38 10.618 4.023 -5.008 1.00 71.32 H new ATOM 0 HB2 LEU A 38 12.138 3.137 -2.608 1.00 63.41 H new ATOM 0 HB3 LEU A 38 11.030 4.469 -2.349 1.00 63.41 H new ATOM 0 HG LEU A 38 9.265 2.952 -3.505 1.00 70.43 H new ATOM 0 HD11 LEU A 38 9.671 0.542 -3.191 1.00 73.03 H new ATOM 0 HD12 LEU A 38 10.827 1.262 -4.336 1.00 73.03 H new ATOM 0 HD13 LEU A 38 11.336 0.894 -2.670 1.00 73.03 H new ATOM 0 HD21 LEU A 38 8.737 1.887 -1.347 1.00 3.05 H new ATOM 0 HD22 LEU A 38 10.365 2.292 -0.754 1.00 3.05 H new ATOM 0 HD23 LEU A 38 9.211 3.590 -1.144 1.00 3.05 H new ATOM 559 N GLY A 39 12.912 5.969 -5.138 1.00 23.40 N ATOM 560 CA GLY A 39 13.359 7.349 -5.170 1.00 62.13 C ATOM 561 C GLY A 39 13.018 8.038 -6.476 1.00 42.34 C ATOM 562 O GLY A 39 13.125 9.260 -6.589 1.00 34.34 O ATOM 0 H GLY A 39 13.427 5.337 -5.752 1.00 23.40 H new ATOM 0 HA2 GLY A 39 12.902 7.895 -4.345 1.00 62.13 H new ATOM 0 HA3 GLY A 39 14.438 7.382 -5.016 1.00 62.13 H new ATOM 566 N VAL A 40 12.608 7.254 -7.468 1.00 44.14 N ATOM 567 CA VAL A 40 12.251 7.796 -8.774 1.00 3.20 C ATOM 568 C VAL A 40 10.860 8.420 -8.748 1.00 63.43 C ATOM 569 O VAL A 40 10.588 9.387 -9.460 1.00 13.45 O ATOM 570 CB VAL A 40 12.295 6.709 -9.864 1.00 73.11 C ATOM 571 CG1 VAL A 40 11.432 5.521 -9.468 1.00 74.30 C ATOM 572 CG2 VAL A 40 11.850 7.279 -11.202 1.00 72.05 C ATOM 0 H VAL A 40 12.515 6.241 -7.392 1.00 44.14 H new ATOM 0 HA VAL A 40 12.986 8.565 -9.010 1.00 3.20 H new ATOM 0 HB VAL A 40 13.323 6.362 -9.966 1.00 73.11 H new ATOM 0 HG11 VAL A 40 11.475 4.763 -10.250 1.00 74.30 H new ATOM 0 HG12 VAL A 40 11.801 5.099 -8.533 1.00 74.30 H new ATOM 0 HG13 VAL A 40 10.401 5.848 -9.337 1.00 74.30 H new ATOM 0 HG21 VAL A 40 11.887 6.497 -11.961 1.00 72.05 H new ATOM 0 HG22 VAL A 40 10.830 7.654 -11.117 1.00 72.05 H new ATOM 0 HG23 VAL A 40 12.514 8.095 -11.489 1.00 72.05 H new ATOM 582 N THR A 41 9.982 7.859 -7.923 1.00 74.01 N ATOM 583 CA THR A 41 8.618 8.359 -7.804 1.00 73.15 C ATOM 584 C THR A 41 8.175 8.409 -6.347 1.00 3.04 C ATOM 585 O THR A 41 7.522 9.361 -5.918 1.00 4.34 O ATOM 586 CB THR A 41 7.628 7.486 -8.600 1.00 4.24 C ATOM 587 OG1 THR A 41 6.283 7.872 -8.298 1.00 52.33 O ATOM 588 CG2 THR A 41 7.824 6.013 -8.274 1.00 54.10 C ATOM 0 H THR A 41 10.191 7.058 -7.327 1.00 74.01 H new ATOM 0 HA THR A 41 8.615 9.368 -8.216 1.00 73.15 H new ATOM 0 HB THR A 41 7.818 7.635 -9.663 1.00 4.24 H new ATOM 0 HG1 THR A 41 5.886 8.314 -9.078 1.00 52.33 H new ATOM 0 HG21 THR A 41 7.115 5.416 -8.847 1.00 54.10 H new ATOM 0 HG22 THR A 41 8.840 5.715 -8.532 1.00 54.10 H new ATOM 0 HG23 THR A 41 7.658 5.851 -7.209 1.00 54.10 H new ATOM 596 N LEU A 42 8.535 7.379 -5.588 1.00 51.25 N ATOM 597 CA LEU A 42 8.175 7.306 -4.177 1.00 4.15 C ATOM 598 C LEU A 42 9.034 8.255 -3.346 1.00 70.22 C ATOM 599 O LEU A 42 10.107 8.688 -3.766 1.00 2.31 O ATOM 600 CB LEU A 42 8.335 5.874 -3.663 1.00 13.12 C ATOM 601 CG LEU A 42 7.118 4.963 -3.827 1.00 33.03 C ATOM 602 CD1 LEU A 42 7.226 4.153 -5.109 1.00 41.24 C ATOM 603 CD2 LEU A 42 6.975 4.043 -2.623 1.00 74.33 C ATOM 0 H LEU A 42 9.076 6.583 -5.927 1.00 51.25 H new ATOM 0 HA LEU A 42 7.132 7.607 -4.077 1.00 4.15 H new ATOM 0 HB2 LEU A 42 9.179 5.416 -4.179 1.00 13.12 H new ATOM 0 HB3 LEU A 42 8.593 5.916 -2.605 1.00 13.12 H new ATOM 0 HG LEU A 42 6.227 5.587 -3.890 1.00 33.03 H new ATOM 0 HD11 LEU A 42 6.351 3.511 -5.208 1.00 41.24 H new ATOM 0 HD12 LEU A 42 7.279 4.829 -5.963 1.00 41.24 H new ATOM 0 HD13 LEU A 42 8.125 3.538 -5.076 1.00 41.24 H new ATOM 0 HD21 LEU A 42 6.104 3.402 -2.757 1.00 74.33 H new ATOM 0 HD22 LEU A 42 7.869 3.426 -2.528 1.00 74.33 H new ATOM 0 HD23 LEU A 42 6.850 4.641 -1.721 1.00 74.33 H new ATOM 615 N PRO A 43 8.553 8.584 -2.138 1.00 42.52 N ATOM 616 CA PRO A 43 9.262 9.483 -1.222 1.00 63.12 C ATOM 617 C PRO A 43 10.528 8.850 -0.654 1.00 43.53 C ATOM 618 O PRO A 43 10.950 7.781 -1.093 1.00 51.04 O ATOM 619 CB PRO A 43 8.242 9.731 -0.108 1.00 63.12 C ATOM 620 CG PRO A 43 7.355 8.535 -0.134 1.00 73.31 C ATOM 621 CD PRO A 43 7.281 8.105 -1.573 1.00 53.12 C ATOM 0 HA PRO A 43 9.598 10.392 -1.721 1.00 63.12 H new ATOM 0 HB2 PRO A 43 8.731 9.840 0.860 1.00 63.12 H new ATOM 0 HB3 PRO A 43 7.677 10.647 -0.285 1.00 63.12 H new ATOM 0 HG2 PRO A 43 7.757 7.738 0.491 1.00 73.31 H new ATOM 0 HG3 PRO A 43 6.365 8.775 0.253 1.00 73.31 H new ATOM 0 HD2 PRO A 43 7.183 7.023 -1.665 1.00 53.12 H new ATOM 0 HD3 PRO A 43 6.424 8.547 -2.081 1.00 53.12 H new ATOM 629 N ALA A 44 11.130 9.518 0.325 1.00 51.33 N ATOM 630 CA ALA A 44 12.346 9.020 0.954 1.00 24.23 C ATOM 631 C ALA A 44 12.051 8.433 2.331 1.00 45.24 C ATOM 632 O ALA A 44 12.742 7.522 2.788 1.00 14.20 O ATOM 633 CB ALA A 44 13.379 10.132 1.063 1.00 54.34 C ATOM 0 H ALA A 44 10.795 10.406 0.699 1.00 51.33 H new ATOM 0 HA ALA A 44 12.750 8.225 0.327 1.00 24.23 H new ATOM 0 HB1 ALA A 44 14.282 9.745 1.535 1.00 54.34 H new ATOM 0 HB2 ALA A 44 13.621 10.503 0.067 1.00 54.34 H new ATOM 0 HB3 ALA A 44 12.975 10.946 1.665 1.00 54.34 H new ATOM 639 N TRP A 45 11.024 8.961 2.986 1.00 40.35 N ATOM 640 CA TRP A 45 10.639 8.490 4.311 1.00 71.31 C ATOM 641 C TRP A 45 10.116 7.059 4.249 1.00 72.11 C ATOM 642 O TRP A 45 10.274 6.289 5.196 1.00 54.20 O ATOM 643 CB TRP A 45 9.575 9.409 4.913 1.00 51.23 C ATOM 644 CG TRP A 45 8.272 9.375 4.172 1.00 45.13 C ATOM 645 CD1 TRP A 45 7.836 10.274 3.241 1.00 75.44 C ATOM 646 CD2 TRP A 45 7.238 8.394 4.302 1.00 61.24 C ATOM 647 NE1 TRP A 45 6.592 9.910 2.784 1.00 74.01 N ATOM 648 CE2 TRP A 45 6.203 8.760 3.418 1.00 24.25 C ATOM 649 CE3 TRP A 45 7.086 7.241 5.076 1.00 31.31 C ATOM 650 CZ2 TRP A 45 5.035 8.014 3.292 1.00 73.33 C ATOM 651 CZ3 TRP A 45 5.925 6.501 4.949 1.00 3.53 C ATOM 652 CH2 TRP A 45 4.912 6.889 4.062 1.00 4.53 C ATOM 0 H TRP A 45 10.443 9.716 2.621 1.00 40.35 H new ATOM 0 HA TRP A 45 11.524 8.507 4.946 1.00 71.31 H new ATOM 0 HB2 TRP A 45 9.402 9.122 5.950 1.00 51.23 H new ATOM 0 HB3 TRP A 45 9.952 10.432 4.923 1.00 51.23 H new ATOM 0 HD1 TRP A 45 8.387 11.143 2.912 1.00 75.44 H new ATOM 0 HE1 TRP A 45 6.047 10.415 2.085 1.00 74.01 H new ATOM 0 HE3 TRP A 45 7.862 6.933 5.761 1.00 31.31 H new ATOM 0 HZ2 TRP A 45 4.252 8.312 2.610 1.00 73.33 H new ATOM 0 HZ3 TRP A 45 5.797 5.609 5.544 1.00 3.53 H new ATOM 0 HH2 TRP A 45 4.017 6.289 3.984 1.00 4.53 H new ATOM 663 N ALA A 46 9.493 6.709 3.128 1.00 1.12 N ATOM 664 CA ALA A 46 8.949 5.370 2.943 1.00 61.43 C ATOM 665 C ALA A 46 10.002 4.305 3.232 1.00 74.30 C ATOM 666 O ALA A 46 9.677 3.196 3.658 1.00 32.34 O ATOM 667 CB ALA A 46 8.409 5.210 1.529 1.00 1.32 C ATOM 0 H ALA A 46 9.353 7.335 2.335 1.00 1.12 H new ATOM 0 HA ALA A 46 8.130 5.237 3.650 1.00 61.43 H new ATOM 0 HB1 ALA A 46 8.006 4.205 1.405 1.00 1.32 H new ATOM 0 HB2 ALA A 46 7.620 5.942 1.356 1.00 1.32 H new ATOM 0 HB3 ALA A 46 9.214 5.369 0.812 1.00 1.32 H new ATOM 673 N LEU A 47 11.263 4.648 2.997 1.00 23.41 N ATOM 674 CA LEU A 47 12.365 3.720 3.232 1.00 14.20 C ATOM 675 C LEU A 47 12.538 3.447 4.723 1.00 40.23 C ATOM 676 O LEU A 47 12.830 2.323 5.128 1.00 61.51 O ATOM 677 CB LEU A 47 13.663 4.282 2.650 1.00 22.24 C ATOM 678 CG LEU A 47 13.560 4.909 1.260 1.00 73.45 C ATOM 679 CD1 LEU A 47 14.905 5.470 0.826 1.00 71.25 C ATOM 680 CD2 LEU A 47 13.055 3.887 0.250 1.00 2.45 C ATOM 0 H LEU A 47 11.549 5.561 2.644 1.00 23.41 H new ATOM 0 HA LEU A 47 12.129 2.779 2.735 1.00 14.20 H new ATOM 0 HB2 LEU A 47 14.050 5.034 3.338 1.00 22.24 H new ATOM 0 HB3 LEU A 47 14.398 3.478 2.610 1.00 22.24 H new ATOM 0 HG LEU A 47 12.845 5.730 1.305 1.00 73.45 H new ATOM 0 HD11 LEU A 47 14.812 5.912 -0.166 1.00 71.25 H new ATOM 0 HD12 LEU A 47 15.227 6.233 1.535 1.00 71.25 H new ATOM 0 HD13 LEU A 47 15.642 4.667 0.798 1.00 71.25 H new ATOM 0 HD21 LEU A 47 12.988 4.351 -0.734 1.00 2.45 H new ATOM 0 HD22 LEU A 47 13.746 3.045 0.208 1.00 2.45 H new ATOM 0 HD23 LEU A 47 12.069 3.533 0.552 1.00 2.45 H new ATOM 692 N ALA A 48 12.354 4.483 5.534 1.00 10.51 N ATOM 693 CA ALA A 48 12.486 4.354 6.980 1.00 12.40 C ATOM 694 C ALA A 48 11.385 3.469 7.555 1.00 64.33 C ATOM 695 O ALA A 48 11.559 2.848 8.603 1.00 3.20 O ATOM 696 CB ALA A 48 12.459 5.726 7.637 1.00 13.40 C ATOM 0 H ALA A 48 12.113 5.421 5.214 1.00 10.51 H new ATOM 0 HA ALA A 48 13.445 3.881 7.191 1.00 12.40 H new ATOM 0 HB1 ALA A 48 12.558 5.614 8.717 1.00 13.40 H new ATOM 0 HB2 ALA A 48 13.284 6.328 7.257 1.00 13.40 H new ATOM 0 HB3 ALA A 48 11.515 6.220 7.409 1.00 13.40 H new ATOM 702 N ALA A 49 10.253 3.416 6.862 1.00 73.43 N ATOM 703 CA ALA A 49 9.125 2.605 7.303 1.00 74.21 C ATOM 704 C ALA A 49 9.418 1.118 7.135 1.00 23.11 C ATOM 705 O ALA A 49 8.868 0.282 7.851 1.00 11.24 O ATOM 706 CB ALA A 49 7.868 2.986 6.535 1.00 51.53 C ATOM 0 H ALA A 49 10.092 3.925 5.993 1.00 73.43 H new ATOM 0 HA ALA A 49 8.963 2.800 8.363 1.00 74.21 H new ATOM 0 HB1 ALA A 49 7.034 2.372 6.875 1.00 51.53 H new ATOM 0 HB2 ALA A 49 7.640 4.037 6.710 1.00 51.53 H new ATOM 0 HB3 ALA A 49 8.029 2.822 5.470 1.00 51.53 H new ATOM 712 N ALA A 50 10.289 0.795 6.184 1.00 75.00 N ATOM 713 CA ALA A 50 10.656 -0.591 5.923 1.00 20.34 C ATOM 714 C ALA A 50 11.679 -1.088 6.939 1.00 21.22 C ATOM 715 O ALA A 50 11.773 -2.286 7.206 1.00 54.44 O ATOM 716 CB ALA A 50 11.199 -0.736 4.510 1.00 65.43 C ATOM 0 H ALA A 50 10.753 1.475 5.582 1.00 75.00 H new ATOM 0 HA ALA A 50 9.759 -1.203 6.020 1.00 20.34 H new ATOM 0 HB1 ALA A 50 11.469 -1.776 4.329 1.00 65.43 H new ATOM 0 HB2 ALA A 50 10.437 -0.429 3.794 1.00 65.43 H new ATOM 0 HB3 ALA A 50 12.081 -0.107 4.393 1.00 65.43 H new ATOM 722 N GLY A 51 12.446 -0.160 7.503 1.00 13.42 N ATOM 723 CA GLY A 51 13.453 -0.524 8.483 1.00 53.33 C ATOM 724 C GLY A 51 12.928 -0.463 9.904 1.00 71.45 C ATOM 725 O GLY A 51 13.703 -0.385 10.856 1.00 44.32 O ATOM 0 H GLY A 51 12.388 0.838 7.299 1.00 13.42 H new ATOM 0 HA2 GLY A 51 13.811 -1.532 8.274 1.00 53.33 H new ATOM 0 HA3 GLY A 51 14.308 0.145 8.386 1.00 53.33 H new ATOM 729 N ALA A 52 11.607 -0.499 10.047 1.00 42.22 N ATOM 730 CA ALA A 52 10.980 -0.448 11.362 1.00 52.14 C ATOM 731 C ALA A 52 9.921 -1.536 11.507 1.00 51.40 C ATOM 732 O ALA A 52 10.066 -2.453 12.316 1.00 72.32 O ATOM 733 CB ALA A 52 10.367 0.924 11.601 1.00 34.21 C ATOM 0 H ALA A 52 10.951 -0.563 9.269 1.00 42.22 H new ATOM 0 HA ALA A 52 11.750 -0.625 12.113 1.00 52.14 H new ATOM 0 HB1 ALA A 52 9.902 0.948 12.587 1.00 34.21 H new ATOM 0 HB2 ALA A 52 11.146 1.685 11.548 1.00 34.21 H new ATOM 0 HB3 ALA A 52 9.613 1.123 10.839 1.00 34.21 H new ATOM 739 N LEU A 53 8.856 -1.427 10.720 1.00 2.01 N ATOM 740 CA LEU A 53 7.772 -2.402 10.762 1.00 55.43 C ATOM 741 C LEU A 53 7.736 -3.232 9.483 1.00 63.03 C ATOM 742 O LEU A 53 8.060 -4.419 9.492 1.00 44.22 O ATOM 743 CB LEU A 53 6.430 -1.693 10.960 1.00 24.35 C ATOM 744 CG LEU A 53 6.015 -1.437 12.410 1.00 42.44 C ATOM 745 CD1 LEU A 53 5.737 -2.749 13.125 1.00 34.14 C ATOM 746 CD2 LEU A 53 7.091 -0.646 13.140 1.00 34.25 C ATOM 0 H LEU A 53 8.720 -0.674 10.046 1.00 2.01 H new ATOM 0 HA LEU A 53 7.951 -3.072 11.603 1.00 55.43 H new ATOM 0 HB2 LEU A 53 6.467 -0.736 10.439 1.00 24.35 H new ATOM 0 HB3 LEU A 53 5.653 -2.288 10.480 1.00 24.35 H new ATOM 0 HG LEU A 53 5.098 -0.848 12.407 1.00 42.44 H new ATOM 0 HD11 LEU A 53 5.443 -2.547 14.155 1.00 34.14 H new ATOM 0 HD12 LEU A 53 4.932 -3.278 12.615 1.00 34.14 H new ATOM 0 HD13 LEU A 53 6.636 -3.365 13.118 1.00 34.14 H new ATOM 0 HD21 LEU A 53 6.779 -0.473 14.170 1.00 34.25 H new ATOM 0 HD22 LEU A 53 8.024 -1.209 13.133 1.00 34.25 H new ATOM 0 HD23 LEU A 53 7.241 0.311 12.640 1.00 34.25 H new ATOM 758 N GLY A 54 7.342 -2.598 8.382 1.00 21.32 N ATOM 759 CA GLY A 54 7.274 -3.293 7.110 1.00 30.41 C ATOM 760 C GLY A 54 6.000 -2.986 6.349 1.00 51.43 C ATOM 761 O GLY A 54 4.934 -2.836 6.945 1.00 53.44 O ATOM 0 H GLY A 54 7.069 -1.616 8.349 1.00 21.32 H new ATOM 0 HA2 GLY A 54 8.134 -3.014 6.501 1.00 30.41 H new ATOM 0 HA3 GLY A 54 7.341 -4.367 7.282 1.00 30.41 H new ATOM 765 N ALA A 55 6.110 -2.890 5.028 1.00 44.52 N ATOM 766 CA ALA A 55 4.958 -2.598 4.184 1.00 1.31 C ATOM 767 C ALA A 55 3.880 -3.665 4.339 1.00 62.24 C ATOM 768 O ALA A 55 3.980 -4.751 3.767 1.00 70.34 O ATOM 769 CB ALA A 55 5.385 -2.483 2.728 1.00 24.23 C ATOM 0 H ALA A 55 6.986 -3.010 4.519 1.00 44.52 H new ATOM 0 HA ALA A 55 4.537 -1.645 4.503 1.00 1.31 H new ATOM 0 HB1 ALA A 55 4.514 -2.265 2.110 1.00 24.23 H new ATOM 0 HB2 ALA A 55 6.114 -1.679 2.625 1.00 24.23 H new ATOM 0 HB3 ALA A 55 5.833 -3.423 2.405 1.00 24.23 H new ATOM 775 N THR A 56 2.849 -3.350 5.116 1.00 31.34 N ATOM 776 CA THR A 56 1.753 -4.283 5.348 1.00 62.03 C ATOM 777 C THR A 56 0.813 -4.335 4.149 1.00 62.32 C ATOM 778 O THR A 56 -0.364 -3.993 4.256 1.00 70.22 O ATOM 779 CB THR A 56 0.946 -3.901 6.603 1.00 53.05 C ATOM 780 OG1 THR A 56 -0.196 -4.756 6.730 1.00 63.22 O ATOM 781 CG2 THR A 56 0.494 -2.450 6.534 1.00 35.10 C ATOM 0 H THR A 56 2.750 -2.455 5.596 1.00 31.34 H new ATOM 0 HA THR A 56 2.200 -5.265 5.499 1.00 62.03 H new ATOM 0 HB THR A 56 1.590 -4.024 7.474 1.00 53.05 H new ATOM 0 HG1 THR A 56 -0.737 -4.703 5.914 1.00 63.22 H new ATOM 0 HG21 THR A 56 -0.074 -2.203 7.431 1.00 35.10 H new ATOM 0 HG22 THR A 56 1.366 -1.800 6.466 1.00 35.10 H new ATOM 0 HG23 THR A 56 -0.135 -2.306 5.655 1.00 35.10 H new ATOM 789 N ALA A 57 1.341 -4.766 3.008 1.00 73.14 N ATOM 790 CA ALA A 57 0.547 -4.866 1.789 1.00 42.31 C ATOM 791 C ALA A 57 0.069 -3.492 1.331 1.00 2.12 C ATOM 792 O ALA A 57 -0.964 -3.371 0.674 1.00 12.01 O ATOM 793 CB ALA A 57 -0.639 -5.794 2.006 1.00 64.15 C ATOM 0 H ALA A 57 2.315 -5.051 2.902 1.00 73.14 H new ATOM 0 HA ALA A 57 1.181 -5.281 1.005 1.00 42.31 H new ATOM 0 HB1 ALA A 57 -1.223 -5.859 1.088 1.00 64.15 H new ATOM 0 HB2 ALA A 57 -0.279 -6.786 2.279 1.00 64.15 H new ATOM 0 HB3 ALA A 57 -1.266 -5.402 2.807 1.00 64.15 H new ATOM 799 N ALA A 58 0.828 -2.459 1.684 1.00 54.14 N ATOM 800 CA ALA A 58 0.482 -1.094 1.308 1.00 53.23 C ATOM 801 C ALA A 58 0.938 -0.784 -0.114 1.00 14.40 C ATOM 802 O ALA A 58 0.133 -0.403 -0.965 1.00 12.40 O ATOM 803 CB ALA A 58 1.095 -0.105 2.288 1.00 14.12 C ATOM 0 H ALA A 58 1.686 -2.542 2.229 1.00 54.14 H new ATOM 0 HA ALA A 58 -0.603 -0.998 1.343 1.00 53.23 H new ATOM 0 HB1 ALA A 58 0.828 0.910 1.995 1.00 14.12 H new ATOM 0 HB2 ALA A 58 0.717 -0.304 3.291 1.00 14.12 H new ATOM 0 HB3 ALA A 58 2.180 -0.211 2.282 1.00 14.12 H new TER 809 ALA A 58