USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 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+ -111:sc= -0.0996 (180deg=-0.595) USER MOD Single : A 2 TYR OH : rot 130:sc= -3.43! USER MOD Single : A 7 GLN : amide:sc= -0.647 K(o=-0.65,f=-3.7!) USER MOD Single : A 11 HIS : no HD1:sc= -0.661 X(o=-0.66,f=-1.1) USER MOD Single : A 14 THR OG1 : rot -55:sc= 0.807 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 0.193 -0.242 -0.963 1.00 33.02 N ATOM 2 CA ILE A 1 1.029 -0.355 -2.151 1.00 62.40 C ATOM 3 C ILE A 1 1.062 -1.791 -2.665 1.00 42.42 C ATOM 4 O ILE A 1 1.170 -2.028 -3.869 1.00 4.35 O ATOM 5 CB ILE A 1 2.470 0.111 -1.872 1.00 1.22 C ATOM 6 CG1 ILE A 1 2.479 1.577 -1.432 1.00 74.14 C ATOM 7 CG2 ILE A 1 3.338 -0.082 -3.106 1.00 61.41 C ATOM 8 CD1 ILE A 1 1.999 2.531 -2.503 1.00 41.54 C ATOM 0 H1 ILE A 1 -0.664 0.301 -1.192 1.00 33.02 H new ATOM 0 HA ILE A 1 0.588 0.291 -2.910 1.00 62.40 H new ATOM 0 HB ILE A 1 2.882 -0.494 -1.064 1.00 1.22 H new ATOM 0 HG12 ILE A 1 1.849 1.687 -0.549 1.00 74.14 H new ATOM 0 HG13 ILE A 1 3.491 1.854 -1.137 1.00 74.14 H new ATOM 0 HG21 ILE A 1 4.353 0.252 -2.893 1.00 61.41 H new ATOM 0 HG22 ILE A 1 3.353 -1.137 -3.379 1.00 61.41 H new ATOM 0 HG23 ILE A 1 2.931 0.501 -3.932 1.00 61.41 H new ATOM 0 HD11 ILE A 1 2.032 3.552 -2.122 1.00 41.54 H new ATOM 0 HD12 ILE A 1 2.643 2.449 -3.378 1.00 41.54 H new ATOM 0 HD13 ILE A 1 0.975 2.280 -2.781 1.00 41.54 H new ATOM 20 N TYR A 2 0.967 -2.745 -1.746 1.00 15.31 N ATOM 21 CA TYR A 2 0.986 -4.158 -2.106 1.00 10.52 C ATOM 22 C TYR A 2 -0.373 -4.603 -2.638 1.00 3.10 C ATOM 23 O TYR A 2 -0.545 -5.750 -3.049 1.00 22.51 O ATOM 24 CB TYR A 2 1.376 -5.008 -0.896 1.00 21.21 C ATOM 25 CG TYR A 2 2.861 -5.014 -0.613 1.00 65.04 C ATOM 26 CD1 TYR A 2 3.456 -3.984 0.106 1.00 35.30 C ATOM 27 CD2 TYR A 2 3.671 -6.048 -1.067 1.00 31.34 C ATOM 28 CE1 TYR A 2 4.812 -3.985 0.366 1.00 4.11 C ATOM 29 CE2 TYR A 2 5.028 -6.058 -0.810 1.00 3.10 C ATOM 30 CZ TYR A 2 5.594 -5.024 -0.094 1.00 3.04 C ATOM 31 OH TYR A 2 6.946 -5.029 0.163 1.00 63.21 O ATOM 0 H TYR A 2 0.876 -2.566 -0.746 1.00 15.31 H new ATOM 0 HA TYR A 2 1.727 -4.297 -2.893 1.00 10.52 H new ATOM 0 HB2 TYR A 2 0.849 -4.637 -0.017 1.00 21.21 H new ATOM 0 HB3 TYR A 2 1.042 -6.033 -1.059 1.00 21.21 H new ATOM 0 HD1 TYR A 2 2.847 -3.169 0.468 1.00 35.30 H new ATOM 0 HD2 TYR A 2 3.232 -6.858 -1.631 1.00 31.34 H new ATOM 0 HE1 TYR A 2 5.258 -3.177 0.926 1.00 4.11 H new ATOM 0 HE2 TYR A 2 5.642 -6.871 -1.168 1.00 3.10 H new ATOM 0 HH TYR A 2 7.205 -5.898 0.535 1.00 63.21 H new ATOM 41 N TRP A 3 -1.334 -3.686 -2.627 1.00 62.55 N ATOM 42 CA TRP A 3 -2.678 -3.983 -3.110 1.00 20.35 C ATOM 43 C TRP A 3 -2.957 -3.262 -4.423 1.00 41.33 C ATOM 44 O TRP A 3 -3.678 -3.772 -5.281 1.00 51.01 O ATOM 45 CB TRP A 3 -3.718 -3.582 -2.062 1.00 42.11 C ATOM 46 CG TRP A 3 -5.123 -3.916 -2.462 1.00 52.50 C ATOM 47 CD1 TRP A 3 -5.765 -5.108 -2.284 1.00 42.02 C ATOM 48 CD2 TRP A 3 -6.059 -3.047 -3.109 1.00 13.52 C ATOM 49 NE1 TRP A 3 -7.043 -5.033 -2.782 1.00 15.44 N ATOM 50 CE2 TRP A 3 -7.249 -3.778 -3.292 1.00 71.20 C ATOM 51 CE3 TRP A 3 -6.009 -1.721 -3.549 1.00 73.20 C ATOM 52 CZ2 TRP A 3 -8.375 -3.227 -3.897 1.00 75.43 C ATOM 53 CZ3 TRP A 3 -7.128 -1.176 -4.150 1.00 20.22 C ATOM 54 CH2 TRP A 3 -8.298 -1.928 -4.319 1.00 14.12 C ATOM 0 H TRP A 3 -1.208 -2.732 -2.289 1.00 62.55 H new ATOM 0 HA TRP A 3 -2.745 -5.057 -3.287 1.00 20.35 H new ATOM 0 HB2 TRP A 3 -3.487 -4.082 -1.121 1.00 42.11 H new ATOM 0 HB3 TRP A 3 -3.645 -2.510 -1.880 1.00 42.11 H new ATOM 0 HD1 TRP A 3 -5.332 -5.982 -1.820 1.00 42.02 H new ATOM 0 HE1 TRP A 3 -7.728 -5.789 -2.774 1.00 15.44 H new ATOM 0 HE3 TRP A 3 -5.112 -1.133 -3.422 1.00 73.20 H new ATOM 0 HZ2 TRP A 3 -9.278 -3.805 -4.029 1.00 75.43 H new ATOM 0 HZ3 TRP A 3 -7.100 -0.153 -4.495 1.00 20.22 H new ATOM 0 HH2 TRP A 3 -9.156 -1.473 -4.792 1.00 14.12 H new ATOM 65 N ILE A 4 -2.382 -2.074 -4.574 1.00 44.54 N ATOM 66 CA ILE A 4 -2.568 -1.284 -5.785 1.00 52.51 C ATOM 67 C ILE A 4 -1.775 -1.866 -6.950 1.00 24.35 C ATOM 68 O ILE A 4 -2.236 -1.865 -8.090 1.00 61.44 O ATOM 69 CB ILE A 4 -2.144 0.182 -5.572 1.00 73.30 C ATOM 70 CG1 ILE A 4 -3.069 0.861 -4.559 1.00 64.32 C ATOM 71 CG2 ILE A 4 -2.155 0.934 -6.894 1.00 71.25 C ATOM 72 CD1 ILE A 4 -2.349 1.364 -3.327 1.00 73.23 C ATOM 0 H ILE A 4 -1.783 -1.637 -3.873 1.00 44.54 H new ATOM 0 HA ILE A 4 -3.632 -1.316 -6.021 1.00 52.51 H new ATOM 0 HB ILE A 4 -1.129 0.197 -5.176 1.00 73.30 H new ATOM 0 HG12 ILE A 4 -3.573 1.698 -5.043 1.00 64.32 H new ATOM 0 HG13 ILE A 4 -3.843 0.156 -4.255 1.00 64.32 H new ATOM 0 HG21 ILE A 4 -1.853 1.968 -6.727 1.00 71.25 H new ATOM 0 HG22 ILE A 4 -1.460 0.461 -7.588 1.00 71.25 H new ATOM 0 HG23 ILE A 4 -3.160 0.913 -7.316 1.00 71.25 H new ATOM 0 HD11 ILE A 4 -3.066 1.833 -2.653 1.00 73.23 H new ATOM 0 HD12 ILE A 4 -1.868 0.528 -2.820 1.00 73.23 H new ATOM 0 HD13 ILE A 4 -1.594 2.094 -3.619 1.00 73.23 H new ATOM 84 N ALA A 5 -0.579 -2.365 -6.653 1.00 31.22 N ATOM 85 CA ALA A 5 0.277 -2.955 -7.674 1.00 64.12 C ATOM 86 C ALA A 5 -0.378 -4.182 -8.299 1.00 32.13 C ATOM 87 O ALA A 5 0.009 -4.621 -9.382 1.00 24.35 O ATOM 88 CB ALA A 5 1.630 -3.321 -7.082 1.00 21.24 C ATOM 0 H ALA A 5 -0.182 -2.372 -5.714 1.00 31.22 H new ATOM 0 HA ALA A 5 0.425 -2.215 -8.460 1.00 64.12 H new ATOM 0 HB1 ALA A 5 2.259 -3.761 -7.856 1.00 21.24 H new ATOM 0 HB2 ALA A 5 2.110 -2.424 -6.690 1.00 21.24 H new ATOM 0 HB3 ALA A 5 1.491 -4.041 -6.275 1.00 21.24 H new ATOM 94 N ASP A 6 -1.372 -4.731 -7.609 1.00 71.33 N ATOM 95 CA ASP A 6 -2.082 -5.908 -8.097 1.00 30.21 C ATOM 96 C ASP A 6 -3.294 -5.505 -8.931 1.00 0.10 C ATOM 97 O ASP A 6 -3.387 -5.843 -10.110 1.00 71.25 O ATOM 98 CB ASP A 6 -2.523 -6.786 -6.925 1.00 13.13 C ATOM 99 CG ASP A 6 -1.384 -7.609 -6.357 1.00 21.22 C ATOM 100 OD1 ASP A 6 -0.280 -7.578 -6.941 1.00 12.23 O ATOM 101 OD2 ASP A 6 -1.596 -8.284 -5.328 1.00 24.20 O ATOM 0 H ASP A 6 -1.704 -4.380 -6.711 1.00 71.33 H new ATOM 0 HA ASP A 6 -1.401 -6.476 -8.730 1.00 30.21 H new ATOM 0 HB2 ASP A 6 -2.939 -6.156 -6.139 1.00 13.13 H new ATOM 0 HB3 ASP A 6 -3.320 -7.453 -7.254 1.00 13.13 H new ATOM 106 N GLN A 7 -4.220 -4.781 -8.309 1.00 65.53 N ATOM 107 CA GLN A 7 -5.426 -4.334 -8.995 1.00 34.24 C ATOM 108 C GLN A 7 -5.082 -3.395 -10.146 1.00 72.10 C ATOM 109 O GLN A 7 -5.329 -3.708 -11.311 1.00 31.11 O ATOM 110 CB GLN A 7 -6.366 -3.633 -8.012 1.00 42.31 C ATOM 111 CG GLN A 7 -6.960 -4.564 -6.968 1.00 21.11 C ATOM 112 CD GLN A 7 -8.027 -5.477 -7.539 1.00 51.44 C ATOM 113 OE1 GLN A 7 -7.780 -6.221 -8.489 1.00 14.11 O ATOM 114 NE2 GLN A 7 -9.222 -5.424 -6.963 1.00 31.23 N ATOM 0 H GLN A 7 -4.158 -4.492 -7.333 1.00 65.53 H new ATOM 0 HA GLN A 7 -5.927 -5.211 -9.404 1.00 34.24 H new ATOM 0 HB2 GLN A 7 -5.821 -2.835 -7.507 1.00 42.31 H new ATOM 0 HB3 GLN A 7 -7.176 -3.162 -8.570 1.00 42.31 H new ATOM 0 HG2 GLN A 7 -6.165 -5.169 -6.532 1.00 21.11 H new ATOM 0 HG3 GLN A 7 -7.389 -3.971 -6.160 1.00 21.11 H new ATOM 0 HE21 GLN A 7 -9.382 -4.793 -6.178 1.00 31.23 H new ATOM 0 HE22 GLN A 7 -9.980 -6.015 -7.305 1.00 31.23 H new ATOM 123 N PHE A 8 -4.511 -2.242 -9.813 1.00 32.55 N ATOM 124 CA PHE A 8 -4.134 -1.257 -10.819 1.00 12.32 C ATOM 125 C PHE A 8 -2.850 -1.671 -11.531 1.00 40.44 C ATOM 126 O PHE A 8 -2.856 -1.961 -12.727 1.00 33.22 O ATOM 127 CB PHE A 8 -3.952 0.118 -10.173 1.00 50.51 C ATOM 128 CG PHE A 8 -5.159 0.588 -9.412 1.00 24.23 C ATOM 129 CD1 PHE A 8 -5.399 0.138 -8.123 1.00 55.15 C ATOM 130 CD2 PHE A 8 -6.052 1.478 -9.984 1.00 54.35 C ATOM 131 CE1 PHE A 8 -6.509 0.568 -7.420 1.00 3.32 C ATOM 132 CE2 PHE A 8 -7.163 1.912 -9.286 1.00 0.24 C ATOM 133 CZ PHE A 8 -7.392 1.456 -8.002 1.00 71.22 C ATOM 0 H PHE A 8 -4.299 -1.967 -8.854 1.00 32.55 H new ATOM 0 HA PHE A 8 -4.935 -1.202 -11.556 1.00 12.32 H new ATOM 0 HB2 PHE A 8 -3.098 0.083 -9.497 1.00 50.51 H new ATOM 0 HB3 PHE A 8 -3.715 0.846 -10.949 1.00 50.51 H new ATOM 0 HD1 PHE A 8 -4.711 -0.556 -7.663 1.00 55.15 H new ATOM 0 HD2 PHE A 8 -5.878 1.837 -10.988 1.00 54.35 H new ATOM 0 HE1 PHE A 8 -6.685 0.210 -6.417 1.00 3.32 H new ATOM 0 HE2 PHE A 8 -7.852 2.607 -9.744 1.00 0.24 H new ATOM 0 HZ PHE A 8 -8.260 1.793 -7.455 1.00 71.22 H new ATOM 143 N GLY A 9 -1.748 -1.694 -10.787 1.00 73.21 N ATOM 144 CA GLY A 9 -0.471 -2.073 -11.364 1.00 15.33 C ATOM 145 C GLY A 9 -0.117 -1.243 -12.582 1.00 23.22 C ATOM 146 O GLY A 9 -0.105 -1.750 -13.704 1.00 24.11 O ATOM 0 H GLY A 9 -1.717 -1.457 -9.795 1.00 73.21 H new ATOM 0 HA2 GLY A 9 0.311 -1.962 -10.613 1.00 15.33 H new ATOM 0 HA3 GLY A 9 -0.499 -3.127 -11.642 1.00 15.33 H new ATOM 150 N ILE A 10 0.171 0.035 -12.362 1.00 0.13 N ATOM 151 CA ILE A 10 0.527 0.936 -13.451 1.00 12.11 C ATOM 152 C ILE A 10 1.640 0.347 -14.310 1.00 62.23 C ATOM 153 O ILE A 10 2.687 -0.055 -13.800 1.00 54.21 O ATOM 154 CB ILE A 10 0.976 2.311 -12.921 1.00 32.43 C ATOM 155 CG1 ILE A 10 -0.136 2.947 -12.084 1.00 30.20 C ATOM 156 CG2 ILE A 10 1.365 3.222 -14.075 1.00 2.01 C ATOM 157 CD1 ILE A 10 -1.381 3.270 -12.880 1.00 13.04 C ATOM 0 H ILE A 10 0.165 0.470 -11.439 1.00 0.13 H new ATOM 0 HA ILE A 10 -0.369 1.065 -14.059 1.00 12.11 H new ATOM 0 HB ILE A 10 1.849 2.171 -12.284 1.00 32.43 H new ATOM 0 HG12 ILE A 10 -0.400 2.271 -11.271 1.00 30.20 H new ATOM 0 HG13 ILE A 10 0.242 3.862 -11.628 1.00 30.20 H new ATOM 0 HG21 ILE A 10 1.680 4.190 -13.684 1.00 2.01 H new ATOM 0 HG22 ILE A 10 2.186 2.772 -14.633 1.00 2.01 H new ATOM 0 HG23 ILE A 10 0.509 3.359 -14.735 1.00 2.01 H new ATOM 0 HD11 ILE A 10 -2.127 3.718 -12.223 1.00 13.04 H new ATOM 0 HD12 ILE A 10 -1.132 3.971 -13.677 1.00 13.04 H new ATOM 0 HD13 ILE A 10 -1.783 2.355 -13.314 1.00 13.04 H new ATOM 169 N HIS A 11 1.409 0.300 -15.618 1.00 74.54 N ATOM 170 CA HIS A 11 2.393 -0.239 -16.550 1.00 43.52 C ATOM 171 C HIS A 11 3.732 0.477 -16.399 1.00 2.20 C ATOM 172 O HIS A 11 4.789 -0.156 -16.386 1.00 34.03 O ATOM 173 CB HIS A 11 1.891 -0.107 -17.988 1.00 40.13 C ATOM 174 CG HIS A 11 1.367 1.257 -18.317 1.00 71.02 C ATOM 175 ND1 HIS A 11 2.162 2.270 -18.811 1.00 32.13 N ATOM 176 CD2 HIS A 11 0.119 1.772 -18.222 1.00 51.44 C ATOM 177 CE1 HIS A 11 1.426 3.350 -19.004 1.00 32.14 C ATOM 178 NE2 HIS A 11 0.182 3.074 -18.655 1.00 1.33 N ATOM 0 H HIS A 11 0.549 0.629 -16.057 1.00 74.54 H new ATOM 0 HA HIS A 11 2.536 -1.295 -16.319 1.00 43.52 H new ATOM 0 HB2 HIS A 11 2.705 -0.349 -18.672 1.00 40.13 H new ATOM 0 HB3 HIS A 11 1.103 -0.841 -18.158 1.00 40.13 H new ATOM 0 HD2 HIS A 11 -0.762 1.255 -17.871 1.00 51.44 H new ATOM 0 HE1 HIS A 11 1.781 4.297 -19.383 1.00 32.14 H new ATOM 0 HE2 HIS A 11 -0.604 3.723 -18.700 1.00 1.33 H new ATOM 186 N LEU A 12 3.681 1.800 -16.286 1.00 71.20 N ATOM 187 CA LEU A 12 4.890 2.602 -16.136 1.00 51.44 C ATOM 188 C LEU A 12 5.758 2.073 -14.999 1.00 53.02 C ATOM 189 O LEU A 12 5.251 1.518 -14.025 1.00 14.01 O ATOM 190 CB LEU A 12 4.526 4.065 -15.877 1.00 13.31 C ATOM 191 CG LEU A 12 5.662 4.962 -15.383 1.00 55.35 C ATOM 192 CD1 LEU A 12 6.728 5.113 -16.457 1.00 54.14 C ATOM 193 CD2 LEU A 12 5.124 6.324 -14.968 1.00 73.03 C ATOM 0 H LEU A 12 2.816 2.340 -16.295 1.00 71.20 H new ATOM 0 HA LEU A 12 5.459 2.534 -17.063 1.00 51.44 H new ATOM 0 HB2 LEU A 12 4.130 4.489 -16.800 1.00 13.31 H new ATOM 0 HB3 LEU A 12 3.721 4.094 -15.142 1.00 13.31 H new ATOM 0 HG LEU A 12 6.117 4.492 -14.511 1.00 55.35 H new ATOM 0 HD11 LEU A 12 7.528 5.754 -16.088 1.00 54.14 H new ATOM 0 HD12 LEU A 12 7.134 4.133 -16.707 1.00 54.14 H new ATOM 0 HD13 LEU A 12 6.286 5.560 -17.348 1.00 54.14 H new ATOM 0 HD21 LEU A 12 5.946 6.949 -14.619 1.00 73.03 H new ATOM 0 HD22 LEU A 12 4.643 6.801 -15.822 1.00 73.03 H new ATOM 0 HD23 LEU A 12 4.397 6.199 -14.165 1.00 73.03 H new ATOM 205 N ALA A 13 7.068 2.251 -15.130 1.00 22.32 N ATOM 206 CA ALA A 13 8.006 1.795 -14.111 1.00 61.13 C ATOM 207 C ALA A 13 8.019 2.740 -12.914 1.00 73.43 C ATOM 208 O ALA A 13 9.052 3.319 -12.578 1.00 12.23 O ATOM 209 CB ALA A 13 9.403 1.667 -14.700 1.00 4.11 C ATOM 0 H ALA A 13 7.504 2.707 -15.931 1.00 22.32 H new ATOM 0 HA ALA A 13 7.679 0.815 -13.763 1.00 61.13 H new ATOM 0 HB1 ALA A 13 10.093 1.326 -13.929 1.00 4.11 H new ATOM 0 HB2 ALA A 13 9.388 0.947 -15.518 1.00 4.11 H new ATOM 0 HB3 ALA A 13 9.730 2.637 -15.076 1.00 4.11 H new ATOM 215 N THR A 14 6.863 2.892 -12.274 1.00 65.40 N ATOM 216 CA THR A 14 6.741 3.768 -11.116 1.00 22.54 C ATOM 217 C THR A 14 6.906 2.987 -9.816 1.00 54.25 C ATOM 218 O THR A 14 6.262 3.291 -8.813 1.00 71.40 O ATOM 219 CB THR A 14 5.381 4.490 -11.099 1.00 31.13 C ATOM 220 OG1 THR A 14 5.350 5.451 -10.038 1.00 10.41 O ATOM 221 CG2 THR A 14 4.243 3.496 -10.923 1.00 14.24 C ATOM 0 H THR A 14 5.999 2.420 -12.539 1.00 65.40 H new ATOM 0 HA THR A 14 7.536 4.509 -11.195 1.00 22.54 H new ATOM 0 HB THR A 14 5.253 4.999 -12.054 1.00 31.13 H new ATOM 0 HG1 THR A 14 5.555 5.007 -9.189 1.00 10.41 H new ATOM 0 HG21 THR A 14 3.292 4.029 -10.914 1.00 14.24 H new ATOM 0 HG22 THR A 14 4.252 2.783 -11.748 1.00 14.24 H new ATOM 0 HG23 THR A 14 4.369 2.962 -9.981 1.00 14.24 H new ATOM 229 N GLY A 15 7.773 1.980 -9.842 1.00 62.21 N ATOM 230 CA GLY A 15 8.007 1.172 -8.659 1.00 72.25 C ATOM 231 C GLY A 15 8.648 -0.162 -8.986 1.00 60.32 C ATOM 232 O GLY A 15 8.048 -1.217 -8.777 1.00 14.12 O ATOM 0 H GLY A 15 8.318 1.709 -10.661 1.00 62.21 H new ATOM 0 HA2 GLY A 15 8.648 1.720 -7.969 1.00 72.25 H new ATOM 0 HA3 GLY A 15 7.060 1.001 -8.146 1.00 72.25 H new ATOM 236 N THR A 16 9.872 -0.118 -9.503 1.00 61.12 N ATOM 237 CA THR A 16 10.594 -1.332 -9.863 1.00 3.05 C ATOM 238 C THR A 16 10.862 -2.196 -8.636 1.00 31.14 C ATOM 239 O THR A 16 11.107 -3.396 -8.752 1.00 30.44 O ATOM 240 CB THR A 16 11.934 -1.006 -10.549 1.00 61.10 C ATOM 241 OG1 THR A 16 11.703 -0.233 -11.732 1.00 62.42 O ATOM 242 CG2 THR A 16 12.682 -2.281 -10.908 1.00 24.11 C ATOM 0 H THR A 16 10.384 0.746 -9.682 1.00 61.12 H new ATOM 0 HA THR A 16 9.961 -1.881 -10.560 1.00 3.05 H new ATOM 0 HB THR A 16 12.543 -0.430 -9.852 1.00 61.10 H new ATOM 0 HG1 THR A 16 12.560 -0.028 -12.161 1.00 62.42 H new ATOM 0 HG21 THR A 16 13.625 -2.026 -11.391 1.00 24.11 H new ATOM 0 HG22 THR A 16 12.882 -2.853 -10.002 1.00 24.11 H new ATOM 0 HG23 THR A 16 12.076 -2.879 -11.588 1.00 24.11 H new ATOM 250 N ALA A 17 10.813 -1.578 -7.460 1.00 55.01 N ATOM 251 CA ALA A 17 11.047 -2.292 -6.211 1.00 40.01 C ATOM 252 C ALA A 17 9.959 -3.330 -5.960 1.00 32.14 C ATOM 253 O ALA A 17 10.174 -4.307 -5.242 1.00 71.44 O ATOM 254 CB ALA A 17 11.123 -1.312 -5.049 1.00 62.34 C ATOM 0 H ALA A 17 10.613 -0.584 -7.347 1.00 55.01 H new ATOM 0 HA ALA A 17 12.000 -2.815 -6.293 1.00 40.01 H new ATOM 0 HB1 ALA A 17 11.298 -1.859 -4.123 1.00 62.34 H new ATOM 0 HB2 ALA A 17 11.941 -0.611 -5.217 1.00 62.34 H new ATOM 0 HB3 ALA A 17 10.184 -0.763 -4.974 1.00 62.34 H new ATOM 260 N ARG A 18 8.790 -3.111 -6.554 1.00 22.45 N ATOM 261 CA ARG A 18 7.668 -4.028 -6.392 1.00 14.41 C ATOM 262 C ARG A 18 8.084 -5.460 -6.713 1.00 43.11 C ATOM 263 O ARG A 18 7.753 -6.393 -5.982 1.00 73.51 O ATOM 264 CB ARG A 18 6.506 -3.609 -7.294 1.00 53.54 C ATOM 265 CG ARG A 18 5.518 -2.671 -6.619 1.00 75.44 C ATOM 266 CD ARG A 18 6.208 -1.430 -6.077 1.00 25.23 C ATOM 267 NE ARG A 18 5.318 -0.273 -6.055 1.00 35.22 N ATOM 268 CZ ARG A 18 5.732 0.970 -5.838 1.00 24.23 C ATOM 269 NH1 ARG A 18 7.018 1.216 -5.626 1.00 31.44 N ATOM 270 NH2 ARG A 18 4.861 1.970 -5.833 1.00 52.31 N ATOM 0 H ARG A 18 8.596 -2.307 -7.151 1.00 22.45 H new ATOM 0 HA ARG A 18 7.345 -3.987 -5.352 1.00 14.41 H new ATOM 0 HB2 ARG A 18 6.905 -3.123 -8.184 1.00 53.54 H new ATOM 0 HB3 ARG A 18 5.977 -4.501 -7.628 1.00 53.54 H new ATOM 0 HG2 ARG A 18 4.748 -2.378 -7.332 1.00 75.44 H new ATOM 0 HG3 ARG A 18 5.016 -3.194 -5.805 1.00 75.44 H new ATOM 0 HD2 ARG A 18 6.570 -1.628 -5.068 1.00 25.23 H new ATOM 0 HD3 ARG A 18 7.081 -1.204 -6.690 1.00 25.23 H new ATOM 0 HE ARG A 18 4.323 -0.428 -6.215 1.00 35.22 H new ATOM 0 HH11 ARG A 18 7.691 0.450 -5.629 1.00 31.44 H new ATOM 0 HH12 ARG A 18 7.334 2.171 -5.460 1.00 31.44 H new ATOM 0 HH21 ARG A 18 3.871 1.785 -5.996 1.00 52.31 H new ATOM 0 HH22 ARG A 18 5.181 2.924 -5.666 1.00 52.31 H new ATOM 284 N LYS A 19 8.813 -5.626 -7.812 1.00 32.43 N ATOM 285 CA LYS A 19 9.276 -6.944 -8.231 1.00 1.22 C ATOM 286 C LYS A 19 10.339 -7.476 -7.275 1.00 43.03 C ATOM 287 O LYS A 19 10.549 -8.686 -7.175 1.00 12.31 O ATOM 288 CB LYS A 19 9.839 -6.881 -9.653 1.00 14.23 C ATOM 289 CG LYS A 19 8.777 -6.671 -10.718 1.00 74.32 C ATOM 290 CD LYS A 19 8.422 -5.202 -10.871 1.00 11.35 C ATOM 291 CE LYS A 19 7.789 -4.919 -12.224 1.00 52.53 C ATOM 292 NZ LYS A 19 7.281 -3.522 -12.318 1.00 2.30 N ATOM 0 H LYS A 19 9.096 -4.864 -8.428 1.00 32.43 H new ATOM 0 HA LYS A 19 8.424 -7.624 -8.214 1.00 1.22 H new ATOM 0 HB2 LYS A 19 10.566 -6.071 -9.712 1.00 14.23 H new ATOM 0 HB3 LYS A 19 10.375 -7.806 -9.864 1.00 14.23 H new ATOM 0 HG2 LYS A 19 9.134 -7.061 -11.671 1.00 74.32 H new ATOM 0 HG3 LYS A 19 7.883 -7.237 -10.457 1.00 74.32 H new ATOM 0 HD2 LYS A 19 7.734 -4.908 -10.078 1.00 11.35 H new ATOM 0 HD3 LYS A 19 9.320 -4.596 -10.755 1.00 11.35 H new ATOM 0 HE2 LYS A 19 8.523 -5.092 -13.011 1.00 52.53 H new ATOM 0 HE3 LYS A 19 6.968 -5.616 -12.394 1.00 52.53 H new ATOM 0 HZ1 LYS A 19 6.857 -3.369 -13.255 1.00 2.30 H new ATOM 0 HZ2 LYS A 19 6.562 -3.364 -11.583 1.00 2.30 H new ATOM 0 HZ3 LYS A 19 8.068 -2.856 -12.181 1.00 2.30 H new ATOM 306 N LEU A 20 11.007 -6.566 -6.575 1.00 30.25 N ATOM 307 CA LEU A 20 12.048 -6.944 -5.625 1.00 60.31 C ATOM 308 C LEU A 20 11.439 -7.401 -4.303 1.00 65.32 C ATOM 309 O LEU A 20 11.843 -8.421 -3.741 1.00 53.41 O ATOM 310 CB LEU A 20 12.997 -5.769 -5.384 1.00 31.14 C ATOM 311 CG LEU A 20 14.061 -5.534 -6.456 1.00 72.03 C ATOM 312 CD1 LEU A 20 14.903 -4.314 -6.115 1.00 73.40 C ATOM 313 CD2 LEU A 20 14.941 -6.765 -6.613 1.00 24.20 C ATOM 0 H LEU A 20 10.847 -5.561 -6.647 1.00 30.25 H new ATOM 0 HA LEU A 20 12.610 -7.775 -6.051 1.00 60.31 H new ATOM 0 HB2 LEU A 20 12.401 -4.861 -5.287 1.00 31.14 H new ATOM 0 HB3 LEU A 20 13.500 -5.924 -4.429 1.00 31.14 H new ATOM 0 HG LEU A 20 13.558 -5.348 -7.405 1.00 72.03 H new ATOM 0 HD11 LEU A 20 15.655 -4.163 -6.890 1.00 73.40 H new ATOM 0 HD12 LEU A 20 14.262 -3.435 -6.055 1.00 73.40 H new ATOM 0 HD13 LEU A 20 15.397 -4.469 -5.156 1.00 73.40 H new ATOM 0 HD21 LEU A 20 15.693 -6.579 -7.380 1.00 24.20 H new ATOM 0 HD22 LEU A 20 15.435 -6.982 -5.666 1.00 24.20 H new ATOM 0 HD23 LEU A 20 14.327 -7.617 -6.905 1.00 24.20 H new ATOM 325 N LEU A 21 10.466 -6.643 -3.813 1.00 13.44 N ATOM 326 CA LEU A 21 9.799 -6.971 -2.557 1.00 52.53 C ATOM 327 C LEU A 21 9.009 -8.269 -2.683 1.00 74.15 C ATOM 328 O LEU A 21 8.590 -8.852 -1.683 1.00 61.43 O ATOM 329 CB LEU A 21 8.867 -5.832 -2.139 1.00 50.33 C ATOM 330 CG LEU A 21 9.547 -4.557 -1.638 1.00 24.51 C ATOM 331 CD1 LEU A 21 8.595 -3.375 -1.723 1.00 11.04 C ATOM 332 CD2 LEU A 21 10.044 -4.744 -0.211 1.00 53.35 C ATOM 0 H LEU A 21 10.120 -5.797 -4.265 1.00 13.44 H new ATOM 0 HA LEU A 21 10.564 -7.106 -1.792 1.00 52.53 H new ATOM 0 HB2 LEU A 21 8.238 -5.573 -2.991 1.00 50.33 H new ATOM 0 HB3 LEU A 21 8.206 -6.200 -1.354 1.00 50.33 H new ATOM 0 HG LEU A 21 10.406 -4.351 -2.277 1.00 24.51 H new ATOM 0 HD11 LEU A 21 9.097 -2.477 -1.362 1.00 11.04 H new ATOM 0 HD12 LEU A 21 8.289 -3.228 -2.759 1.00 11.04 H new ATOM 0 HD13 LEU A 21 7.716 -3.571 -1.109 1.00 11.04 H new ATOM 0 HD21 LEU A 21 10.525 -3.827 0.130 1.00 53.35 H new ATOM 0 HD22 LEU A 21 9.201 -4.975 0.440 1.00 53.35 H new ATOM 0 HD23 LEU A 21 10.762 -5.564 -0.180 1.00 53.35 H new ATOM 344 N ASP A 22 8.810 -8.717 -3.918 1.00 62.02 N ATOM 345 CA ASP A 22 8.073 -9.949 -4.176 1.00 2.25 C ATOM 346 C ASP A 22 9.026 -11.094 -4.504 1.00 42.35 C ATOM 347 O ASP A 22 8.601 -12.232 -4.701 1.00 13.51 O ATOM 348 CB ASP A 22 7.084 -9.746 -5.324 1.00 41.04 C ATOM 349 CG ASP A 22 6.062 -10.862 -5.412 1.00 15.12 C ATOM 350 OD1 ASP A 22 5.480 -11.218 -4.365 1.00 41.31 O ATOM 351 OD2 ASP A 22 5.842 -11.379 -6.527 1.00 11.31 O ATOM 0 H ASP A 22 9.149 -8.245 -4.756 1.00 62.02 H new ATOM 0 HA ASP A 22 7.520 -10.209 -3.273 1.00 2.25 H new ATOM 0 HB2 ASP A 22 6.568 -8.795 -5.192 1.00 41.04 H new ATOM 0 HB3 ASP A 22 7.631 -9.684 -6.265 1.00 41.04 H new ATOM 356 N ALA A 23 10.317 -10.784 -4.564 1.00 2.31 N ATOM 357 CA ALA A 23 11.330 -11.786 -4.868 1.00 64.41 C ATOM 358 C ALA A 23 12.301 -11.957 -3.704 1.00 72.03 C ATOM 359 O ALA A 23 12.913 -13.013 -3.543 1.00 45.43 O ATOM 360 CB ALA A 23 12.084 -11.408 -6.135 1.00 33.12 C ATOM 0 H ALA A 23 10.686 -9.846 -4.406 1.00 2.31 H new ATOM 0 HA ALA A 23 10.825 -12.739 -5.029 1.00 64.41 H new ATOM 0 HB1 ALA A 23 12.838 -12.166 -6.350 1.00 33.12 H new ATOM 0 HB2 ALA A 23 11.385 -11.345 -6.969 1.00 33.12 H new ATOM 0 HB3 ALA A 23 12.570 -10.442 -5.995 1.00 33.12 H new ATOM 366 N VAL A 24 12.437 -10.911 -2.895 1.00 33.41 N ATOM 367 CA VAL A 24 13.333 -10.946 -1.745 1.00 53.12 C ATOM 368 C VAL A 24 12.715 -11.727 -0.590 1.00 42.45 C ATOM 369 O VAL A 24 13.423 -12.354 0.197 1.00 61.25 O ATOM 370 CB VAL A 24 13.681 -9.525 -1.262 1.00 73.40 C ATOM 371 CG1 VAL A 24 14.496 -8.788 -2.314 1.00 34.13 C ATOM 372 CG2 VAL A 24 12.415 -8.755 -0.919 1.00 52.55 C ATOM 0 H VAL A 24 11.938 -10.029 -3.015 1.00 33.41 H new ATOM 0 HA VAL A 24 14.246 -11.445 -2.070 1.00 53.12 H new ATOM 0 HB VAL A 24 14.286 -9.604 -0.359 1.00 73.40 H new ATOM 0 HG11 VAL A 24 14.732 -7.786 -1.955 1.00 34.13 H new ATOM 0 HG12 VAL A 24 15.421 -9.333 -2.505 1.00 34.13 H new ATOM 0 HG13 VAL A 24 13.920 -8.716 -3.236 1.00 34.13 H new ATOM 0 HG21 VAL A 24 12.679 -7.753 -0.580 1.00 52.55 H new ATOM 0 HG22 VAL A 24 11.782 -8.683 -1.803 1.00 52.55 H new ATOM 0 HG23 VAL A 24 11.876 -9.276 -0.128 1.00 52.55 H new ATOM 382 N ALA A 25 11.390 -11.683 -0.496 1.00 23.52 N ATOM 383 CA ALA A 25 10.677 -12.389 0.561 1.00 34.03 C ATOM 384 C ALA A 25 11.011 -13.877 0.551 1.00 5.35 C ATOM 385 O ALA A 25 10.880 -14.559 1.568 1.00 41.05 O ATOM 386 CB ALA A 25 9.176 -12.183 0.414 1.00 44.22 C ATOM 0 H ALA A 25 10.789 -11.166 -1.138 1.00 23.52 H new ATOM 0 HA ALA A 25 10.998 -11.978 1.518 1.00 34.03 H new ATOM 0 HB1 ALA A 25 8.656 -12.716 1.210 1.00 44.22 H new ATOM 0 HB2 ALA A 25 8.947 -11.119 0.479 1.00 44.22 H new ATOM 0 HB3 ALA A 25 8.849 -12.566 -0.553 1.00 44.22 H new ATOM 392 N SER A 26 11.444 -14.374 -0.603 1.00 50.40 N ATOM 393 CA SER A 26 11.793 -15.782 -0.746 1.00 24.10 C ATOM 394 C SER A 26 13.115 -16.088 -0.047 1.00 53.31 C ATOM 395 O SER A 26 13.296 -17.165 0.518 1.00 65.43 O ATOM 396 CB SER A 26 11.887 -16.158 -2.226 1.00 21.41 C ATOM 397 OG SER A 26 10.618 -16.521 -2.741 1.00 71.13 O ATOM 0 H SER A 26 11.561 -13.822 -1.453 1.00 50.40 H new ATOM 0 HA SER A 26 11.008 -16.375 -0.277 1.00 24.10 H new ATOM 0 HB2 SER A 26 12.286 -15.317 -2.793 1.00 21.41 H new ATOM 0 HB3 SER A 26 12.584 -16.987 -2.350 1.00 21.41 H new ATOM 0 HG SER A 26 10.704 -16.755 -3.689 1.00 71.13 H new ATOM 403 N GLY A 27 14.035 -15.129 -0.090 1.00 64.33 N ATOM 404 CA GLY A 27 15.329 -15.314 0.542 1.00 73.13 C ATOM 405 C GLY A 27 16.346 -14.285 0.092 1.00 42.41 C ATOM 406 O GLY A 27 17.234 -14.587 -0.705 1.00 2.43 O ATOM 0 H GLY A 27 13.908 -14.228 -0.551 1.00 64.33 H new ATOM 0 HA2 GLY A 27 15.213 -15.256 1.624 1.00 73.13 H new ATOM 0 HA3 GLY A 27 15.702 -16.313 0.314 1.00 73.13 H new ATOM 410 N ALA A 28 16.216 -13.064 0.602 1.00 22.31 N ATOM 411 CA ALA A 28 17.132 -11.987 0.248 1.00 10.13 C ATOM 412 C ALA A 28 17.253 -10.975 1.382 1.00 1.34 C ATOM 413 O ALA A 28 16.270 -10.346 1.774 1.00 52.14 O ATOM 414 CB ALA A 28 16.670 -11.300 -1.028 1.00 41.51 C ATOM 0 H ALA A 28 15.485 -12.797 1.261 1.00 22.31 H new ATOM 0 HA ALA A 28 18.117 -12.422 0.077 1.00 10.13 H new ATOM 0 HB1 ALA A 28 17.363 -10.498 -1.281 1.00 41.51 H new ATOM 0 HB2 ALA A 28 16.642 -12.025 -1.842 1.00 41.51 H new ATOM 0 HB3 ALA A 28 15.674 -10.885 -0.877 1.00 41.51 H new ATOM 420 N SER A 29 18.465 -10.823 1.907 1.00 51.20 N ATOM 421 CA SER A 29 18.713 -9.890 3.000 1.00 43.12 C ATOM 422 C SER A 29 19.063 -8.505 2.463 1.00 33.11 C ATOM 423 O SER A 29 20.049 -7.896 2.879 1.00 11.42 O ATOM 424 CB SER A 29 19.846 -10.405 3.891 1.00 53.35 C ATOM 425 OG SER A 29 19.531 -11.676 4.431 1.00 23.31 O ATOM 0 H SER A 29 19.290 -11.334 1.593 1.00 51.20 H new ATOM 0 HA SER A 29 17.801 -9.812 3.592 1.00 43.12 H new ATOM 0 HB2 SER A 29 20.767 -10.470 3.312 1.00 53.35 H new ATOM 0 HB3 SER A 29 20.027 -9.697 4.700 1.00 53.35 H new ATOM 0 HG SER A 29 20.271 -11.984 4.995 1.00 23.31 H new ATOM 431 N LEU A 30 18.247 -8.014 1.537 1.00 43.24 N ATOM 432 CA LEU A 30 18.468 -6.700 0.941 1.00 25.44 C ATOM 433 C LEU A 30 18.594 -5.628 2.019 1.00 31.31 C ATOM 434 O LEU A 30 17.934 -5.695 3.055 1.00 24.35 O ATOM 435 CB LEU A 30 17.324 -6.351 -0.011 1.00 14.00 C ATOM 436 CG LEU A 30 17.682 -6.285 -1.496 1.00 21.10 C ATOM 437 CD1 LEU A 30 18.733 -5.214 -1.744 1.00 71.24 C ATOM 438 CD2 LEU A 30 18.172 -7.640 -1.987 1.00 0.31 C ATOM 0 H LEU A 30 17.426 -8.505 1.182 1.00 43.24 H new ATOM 0 HA LEU A 30 19.401 -6.735 0.379 1.00 25.44 H new ATOM 0 HB2 LEU A 30 16.532 -7.089 0.119 1.00 14.00 H new ATOM 0 HB3 LEU A 30 16.912 -5.386 0.286 1.00 14.00 H new ATOM 0 HG LEU A 30 16.785 -6.021 -2.056 1.00 21.10 H new ATOM 0 HD11 LEU A 30 18.976 -5.181 -2.806 1.00 71.24 H new ATOM 0 HD12 LEU A 30 18.346 -4.245 -1.430 1.00 71.24 H new ATOM 0 HD13 LEU A 30 19.632 -5.447 -1.174 1.00 71.24 H new ATOM 0 HD21 LEU A 30 18.422 -7.575 -3.046 1.00 0.31 H new ATOM 0 HD22 LEU A 30 19.057 -7.933 -1.422 1.00 0.31 H new ATOM 0 HD23 LEU A 30 17.388 -8.384 -1.845 1.00 0.31 H new ATOM 450 N GLY A 31 19.444 -4.638 1.766 1.00 42.05 N ATOM 451 CA GLY A 31 19.639 -3.564 2.722 1.00 20.32 C ATOM 452 C GLY A 31 20.558 -2.479 2.197 1.00 75.03 C ATOM 453 O GLY A 31 20.373 -1.299 2.497 1.00 4.03 O ATOM 0 H GLY A 31 20.001 -4.561 0.915 1.00 42.05 H new ATOM 0 HA2 GLY A 31 18.673 -3.127 2.974 1.00 20.32 H new ATOM 0 HA3 GLY A 31 20.054 -3.973 3.643 1.00 20.32 H new ATOM 457 N THR A 32 21.552 -2.877 1.410 1.00 63.42 N ATOM 458 CA THR A 32 22.505 -1.931 0.844 1.00 50.14 C ATOM 459 C THR A 32 22.088 -1.503 -0.559 1.00 32.22 C ATOM 460 O THR A 32 22.474 -0.436 -1.033 1.00 44.40 O ATOM 461 CB THR A 32 23.923 -2.529 0.785 1.00 5.41 C ATOM 462 OG1 THR A 32 24.200 -3.254 1.989 1.00 55.25 O ATOM 463 CG2 THR A 32 24.964 -1.435 0.596 1.00 60.21 C ATOM 0 H THR A 32 21.718 -3.849 1.150 1.00 63.42 H new ATOM 0 HA THR A 32 22.513 -1.060 1.500 1.00 50.14 H new ATOM 0 HB THR A 32 23.972 -3.207 -0.067 1.00 5.41 H new ATOM 0 HG1 THR A 32 25.103 -3.632 1.943 1.00 55.25 H new ATOM 0 HG21 THR A 32 25.958 -1.881 0.557 1.00 60.21 H new ATOM 0 HG22 THR A 32 24.768 -0.903 -0.335 1.00 60.21 H new ATOM 0 HG23 THR A 32 24.913 -0.736 1.431 1.00 60.21 H new ATOM 471 N ALA A 33 21.296 -2.343 -1.217 1.00 70.15 N ATOM 472 CA ALA A 33 20.824 -2.050 -2.565 1.00 60.01 C ATOM 473 C ALA A 33 19.475 -1.339 -2.532 1.00 22.50 C ATOM 474 O ALA A 33 19.138 -0.584 -3.444 1.00 35.22 O ATOM 475 CB ALA A 33 20.728 -3.331 -3.381 1.00 2.21 C ATOM 0 H ALA A 33 20.968 -3.232 -0.839 1.00 70.15 H new ATOM 0 HA ALA A 33 21.545 -1.384 -3.039 1.00 60.01 H new ATOM 0 HB1 ALA A 33 20.374 -3.097 -4.385 1.00 2.21 H new ATOM 0 HB2 ALA A 33 21.711 -3.798 -3.442 1.00 2.21 H new ATOM 0 HB3 ALA A 33 20.030 -4.017 -2.901 1.00 2.21 H new ATOM 481 N PHE A 34 18.707 -1.587 -1.476 1.00 42.30 N ATOM 482 CA PHE A 34 17.394 -0.972 -1.325 1.00 54.52 C ATOM 483 C PHE A 34 17.499 0.550 -1.360 1.00 54.32 C ATOM 484 O PHE A 34 16.544 1.241 -1.715 1.00 33.05 O ATOM 485 CB PHE A 34 16.745 -1.419 -0.014 1.00 32.32 C ATOM 486 CG PHE A 34 15.247 -1.505 -0.085 1.00 30.12 C ATOM 487 CD1 PHE A 34 14.631 -2.424 -0.919 1.00 63.13 C ATOM 488 CD2 PHE A 34 14.455 -0.667 0.683 1.00 34.43 C ATOM 489 CE1 PHE A 34 13.253 -2.504 -0.987 1.00 23.50 C ATOM 490 CE2 PHE A 34 13.076 -0.744 0.620 1.00 11.52 C ATOM 491 CZ PHE A 34 12.475 -1.664 -0.215 1.00 74.14 C ATOM 0 H PHE A 34 18.972 -2.210 -0.713 1.00 42.30 H new ATOM 0 HA PHE A 34 16.771 -1.295 -2.159 1.00 54.52 H new ATOM 0 HB2 PHE A 34 17.144 -2.394 0.266 1.00 32.32 H new ATOM 0 HB3 PHE A 34 17.024 -0.722 0.776 1.00 32.32 H new ATOM 0 HD1 PHE A 34 15.235 -3.085 -1.523 1.00 63.13 H new ATOM 0 HD2 PHE A 34 14.920 0.055 1.338 1.00 34.43 H new ATOM 0 HE1 PHE A 34 12.785 -3.223 -1.643 1.00 23.50 H new ATOM 0 HE2 PHE A 34 12.470 -0.085 1.224 1.00 11.52 H new ATOM 0 HZ PHE A 34 11.398 -1.727 -0.265 1.00 74.14 H new ATOM 501 N ALA A 35 18.666 1.066 -0.989 1.00 61.43 N ATOM 502 CA ALA A 35 18.897 2.505 -0.979 1.00 63.33 C ATOM 503 C ALA A 35 19.269 3.011 -2.369 1.00 73.20 C ATOM 504 O ALA A 35 19.164 4.203 -2.654 1.00 4.40 O ATOM 505 CB ALA A 35 19.988 2.857 0.022 1.00 53.14 C ATOM 0 H ALA A 35 19.467 0.508 -0.691 1.00 61.43 H new ATOM 0 HA ALA A 35 17.971 2.995 -0.678 1.00 63.33 H new ATOM 0 HB1 ALA A 35 20.150 3.935 0.019 1.00 53.14 H new ATOM 0 HB2 ALA A 35 19.684 2.538 1.019 1.00 53.14 H new ATOM 0 HB3 ALA A 35 20.913 2.350 -0.254 1.00 53.14 H new ATOM 511 N ALA A 36 19.703 2.096 -3.230 1.00 50.41 N ATOM 512 CA ALA A 36 20.089 2.450 -4.591 1.00 14.45 C ATOM 513 C ALA A 36 18.870 2.527 -5.504 1.00 61.12 C ATOM 514 O ALA A 36 18.966 2.978 -6.646 1.00 63.30 O ATOM 515 CB ALA A 36 21.095 1.446 -5.132 1.00 74.33 C ATOM 0 H ALA A 36 19.796 1.105 -3.009 1.00 50.41 H new ATOM 0 HA ALA A 36 20.554 3.435 -4.567 1.00 14.45 H new ATOM 0 HB1 ALA A 36 21.374 1.723 -6.149 1.00 74.33 H new ATOM 0 HB2 ALA A 36 21.983 1.444 -4.500 1.00 74.33 H new ATOM 0 HB3 ALA A 36 20.650 0.451 -5.136 1.00 74.33 H new ATOM 521 N ILE A 37 17.726 2.083 -4.995 1.00 12.41 N ATOM 522 CA ILE A 37 16.489 2.102 -5.766 1.00 11.52 C ATOM 523 C ILE A 37 15.519 3.147 -5.224 1.00 4.32 C ATOM 524 O ILE A 37 14.679 3.670 -5.957 1.00 34.20 O ATOM 525 CB ILE A 37 15.799 0.725 -5.758 1.00 2.52 C ATOM 526 CG1 ILE A 37 15.662 0.208 -4.325 1.00 23.35 C ATOM 527 CG2 ILE A 37 16.580 -0.263 -6.612 1.00 14.25 C ATOM 528 CD1 ILE A 37 14.632 -0.890 -4.174 1.00 44.04 C ATOM 0 H ILE A 37 17.630 1.706 -4.052 1.00 12.41 H new ATOM 0 HA ILE A 37 16.760 2.358 -6.790 1.00 11.52 H new ATOM 0 HB ILE A 37 14.801 0.832 -6.182 1.00 2.52 H new ATOM 0 HG12 ILE A 37 16.629 -0.164 -3.988 1.00 23.35 H new ATOM 0 HG13 ILE A 37 15.394 1.039 -3.672 1.00 23.35 H new ATOM 0 HG21 ILE A 37 16.080 -1.232 -6.597 1.00 14.25 H new ATOM 0 HG22 ILE A 37 16.631 0.103 -7.637 1.00 14.25 H new ATOM 0 HG23 ILE A 37 17.589 -0.369 -6.214 1.00 14.25 H new ATOM 0 HD11 ILE A 37 14.589 -1.208 -3.132 1.00 44.04 H new ATOM 0 HD12 ILE A 37 13.655 -0.517 -4.480 1.00 44.04 H new ATOM 0 HD13 ILE A 37 14.909 -1.738 -4.801 1.00 44.04 H new ATOM 540 N LEU A 38 15.643 3.449 -3.936 1.00 51.21 N ATOM 541 CA LEU A 38 14.779 4.434 -3.295 1.00 13.02 C ATOM 542 C LEU A 38 15.546 5.717 -2.992 1.00 23.13 C ATOM 543 O LEU A 38 14.953 6.746 -2.671 1.00 45.14 O ATOM 544 CB LEU A 38 14.190 3.862 -2.004 1.00 70.52 C ATOM 545 CG LEU A 38 12.852 3.134 -2.142 1.00 11.34 C ATOM 546 CD1 LEU A 38 13.030 1.828 -2.900 1.00 53.32 C ATOM 547 CD2 LEU A 38 12.241 2.879 -0.772 1.00 33.43 C ATOM 0 H LEU A 38 16.333 3.026 -3.315 1.00 51.21 H new ATOM 0 HA LEU A 38 13.968 4.671 -3.984 1.00 13.02 H new ATOM 0 HB2 LEU A 38 14.914 3.171 -1.573 1.00 70.52 H new ATOM 0 HB3 LEU A 38 14.065 4.678 -1.292 1.00 70.52 H new ATOM 0 HG LEU A 38 12.171 3.769 -2.709 1.00 11.34 H new ATOM 0 HD11 LEU A 38 12.067 1.324 -2.988 1.00 53.32 H new ATOM 0 HD12 LEU A 38 13.423 2.036 -3.895 1.00 53.32 H new ATOM 0 HD13 LEU A 38 13.727 1.186 -2.361 1.00 53.32 H new ATOM 0 HD21 LEU A 38 11.289 2.360 -0.889 1.00 33.43 H new ATOM 0 HD22 LEU A 38 12.919 2.264 -0.180 1.00 33.43 H new ATOM 0 HD23 LEU A 38 12.076 3.829 -0.264 1.00 33.43 H new ATOM 559 N GLY A 39 16.870 5.648 -3.097 1.00 70.45 N ATOM 560 CA GLY A 39 17.697 6.811 -2.834 1.00 20.54 C ATOM 561 C GLY A 39 17.969 7.624 -4.083 1.00 41.13 C ATOM 562 O GLY A 39 18.744 8.580 -4.054 1.00 44.01 O ATOM 0 H GLY A 39 17.384 4.807 -3.360 1.00 70.45 H new ATOM 0 HA2 GLY A 39 17.206 7.442 -2.093 1.00 20.54 H new ATOM 0 HA3 GLY A 39 18.644 6.489 -2.401 1.00 20.54 H new ATOM 566 N VAL A 40 17.331 7.244 -5.186 1.00 21.13 N ATOM 567 CA VAL A 40 17.509 7.945 -6.452 1.00 33.41 C ATOM 568 C VAL A 40 16.295 8.808 -6.777 1.00 61.02 C ATOM 569 O VAL A 40 16.428 9.914 -7.303 1.00 60.42 O ATOM 570 CB VAL A 40 17.749 6.958 -7.610 1.00 54.24 C ATOM 571 CG1 VAL A 40 16.668 5.888 -7.633 1.00 21.22 C ATOM 572 CG2 VAL A 40 17.804 7.699 -8.938 1.00 0.33 C ATOM 0 H VAL A 40 16.686 6.455 -5.228 1.00 21.13 H new ATOM 0 HA VAL A 40 18.385 8.583 -6.341 1.00 33.41 H new ATOM 0 HB VAL A 40 18.709 6.467 -7.453 1.00 54.24 H new ATOM 0 HG11 VAL A 40 16.854 5.200 -8.458 1.00 21.22 H new ATOM 0 HG12 VAL A 40 16.680 5.338 -6.692 1.00 21.22 H new ATOM 0 HG13 VAL A 40 15.694 6.358 -7.766 1.00 21.22 H new ATOM 0 HG21 VAL A 40 17.974 6.987 -9.745 1.00 0.33 H new ATOM 0 HG22 VAL A 40 16.860 8.218 -9.105 1.00 0.33 H new ATOM 0 HG23 VAL A 40 18.617 8.424 -8.917 1.00 0.33 H new ATOM 582 N THR A 41 15.110 8.296 -6.460 1.00 54.52 N ATOM 583 CA THR A 41 13.871 9.020 -6.719 1.00 21.11 C ATOM 584 C THR A 41 13.052 9.181 -5.444 1.00 32.04 C ATOM 585 O THR A 41 12.412 10.212 -5.230 1.00 64.03 O ATOM 586 CB THR A 41 13.014 8.304 -7.780 1.00 14.23 C ATOM 587 OG1 THR A 41 11.804 9.036 -8.006 1.00 74.33 O ATOM 588 CG2 THR A 41 12.680 6.887 -7.340 1.00 24.34 C ATOM 0 H THR A 41 14.982 7.383 -6.024 1.00 54.52 H new ATOM 0 HA THR A 41 14.152 10.004 -7.093 1.00 21.11 H new ATOM 0 HB THR A 41 13.587 8.254 -8.706 1.00 14.23 H new ATOM 0 HG1 THR A 41 11.265 8.576 -8.683 1.00 74.33 H new ATOM 0 HG21 THR A 41 12.074 6.402 -8.105 1.00 24.34 H new ATOM 0 HG22 THR A 41 13.602 6.324 -7.196 1.00 24.34 H new ATOM 0 HG23 THR A 41 12.124 6.919 -6.403 1.00 24.34 H new ATOM 596 N LEU A 42 13.075 8.157 -4.598 1.00 30.21 N ATOM 597 CA LEU A 42 12.334 8.185 -3.342 1.00 2.15 C ATOM 598 C LEU A 42 13.102 8.959 -2.274 1.00 74.32 C ATOM 599 O LEU A 42 14.300 9.211 -2.397 1.00 24.01 O ATOM 600 CB LEU A 42 12.059 6.761 -2.857 1.00 23.44 C ATOM 601 CG LEU A 42 10.705 6.168 -3.247 1.00 52.32 C ATOM 602 CD1 LEU A 42 10.824 5.367 -4.534 1.00 53.24 C ATOM 603 CD2 LEU A 42 10.159 5.298 -2.124 1.00 2.50 C ATOM 0 H LEU A 42 13.599 7.297 -4.759 1.00 30.21 H new ATOM 0 HA LEU A 42 11.385 8.691 -3.520 1.00 2.15 H new ATOM 0 HB2 LEU A 42 12.843 6.110 -3.243 1.00 23.44 H new ATOM 0 HB3 LEU A 42 12.140 6.747 -1.770 1.00 23.44 H new ATOM 0 HG LEU A 42 10.007 6.988 -3.416 1.00 52.32 H new ATOM 0 HD11 LEU A 42 9.850 4.953 -4.796 1.00 53.24 H new ATOM 0 HD12 LEU A 42 11.169 6.018 -5.337 1.00 53.24 H new ATOM 0 HD13 LEU A 42 11.538 4.555 -4.393 1.00 53.24 H new ATOM 0 HD21 LEU A 42 9.195 4.885 -2.420 1.00 2.50 H new ATOM 0 HD22 LEU A 42 10.856 4.485 -1.922 1.00 2.50 H new ATOM 0 HD23 LEU A 42 10.035 5.901 -1.224 1.00 2.50 H new ATOM 615 N PRO A 43 12.397 9.343 -1.200 1.00 14.12 N ATOM 616 CA PRO A 43 12.992 10.091 -0.088 1.00 71.14 C ATOM 617 C PRO A 43 13.960 9.242 0.729 1.00 50.23 C ATOM 618 O PRO A 43 14.304 8.127 0.338 1.00 3.12 O ATOM 619 CB PRO A 43 11.782 10.488 0.760 1.00 14.33 C ATOM 620 CG PRO A 43 10.748 9.461 0.451 1.00 50.14 C ATOM 621 CD PRO A 43 10.964 9.077 -0.987 1.00 60.31 C ATOM 0 HA PRO A 43 13.582 10.939 -0.436 1.00 71.14 H new ATOM 0 HB2 PRO A 43 12.028 10.495 1.822 1.00 14.33 H new ATOM 0 HB3 PRO A 43 11.433 11.489 0.507 1.00 14.33 H new ATOM 0 HG2 PRO A 43 10.850 8.595 1.106 1.00 50.14 H new ATOM 0 HG3 PRO A 43 9.745 9.859 0.602 1.00 50.14 H new ATOM 0 HD2 PRO A 43 10.719 8.030 -1.164 1.00 60.31 H new ATOM 0 HD3 PRO A 43 10.341 9.668 -1.659 1.00 60.31 H new ATOM 629 N ALA A 44 14.395 9.777 1.865 1.00 41.33 N ATOM 630 CA ALA A 44 15.322 9.067 2.738 1.00 55.51 C ATOM 631 C ALA A 44 14.584 8.399 3.893 1.00 2.13 C ATOM 632 O ALA A 44 14.984 7.335 4.364 1.00 25.52 O ATOM 633 CB ALA A 44 16.383 10.020 3.267 1.00 10.44 C ATOM 0 H ALA A 44 14.120 10.700 2.202 1.00 41.33 H new ATOM 0 HA ALA A 44 15.810 8.287 2.153 1.00 55.51 H new ATOM 0 HB1 ALA A 44 17.068 9.477 3.917 1.00 10.44 H new ATOM 0 HB2 ALA A 44 16.937 10.447 2.431 1.00 10.44 H new ATOM 0 HB3 ALA A 44 15.904 10.820 3.832 1.00 10.44 H new ATOM 639 N TRP A 45 13.507 9.031 4.345 1.00 30.45 N ATOM 640 CA TRP A 45 12.714 8.496 5.447 1.00 3.51 C ATOM 641 C TRP A 45 12.019 7.202 5.040 1.00 24.11 C ATOM 642 O TRP A 45 11.755 6.339 5.877 1.00 52.21 O ATOM 643 CB TRP A 45 11.678 9.525 5.902 1.00 34.02 C ATOM 644 CG TRP A 45 10.650 9.836 4.856 1.00 65.10 C ATOM 645 CD1 TRP A 45 10.671 10.876 3.971 1.00 71.21 C ATOM 646 CD2 TRP A 45 9.451 9.102 4.588 1.00 60.43 C ATOM 647 NE1 TRP A 45 9.556 10.832 3.169 1.00 42.25 N ATOM 648 CE2 TRP A 45 8.793 9.753 3.526 1.00 34.32 C ATOM 649 CE3 TRP A 45 8.870 7.956 5.139 1.00 2.51 C ATOM 650 CZ2 TRP A 45 7.583 9.296 3.009 1.00 64.03 C ATOM 651 CZ3 TRP A 45 7.670 7.505 4.625 1.00 70.44 C ATOM 652 CH2 TRP A 45 7.037 8.173 3.568 1.00 63.32 C ATOM 0 H TRP A 45 13.163 9.913 3.966 1.00 30.45 H new ATOM 0 HA TRP A 45 13.388 8.278 6.275 1.00 3.51 H new ATOM 0 HB2 TRP A 45 11.176 9.154 6.795 1.00 34.02 H new ATOM 0 HB3 TRP A 45 12.190 10.445 6.183 1.00 34.02 H new ATOM 0 HD1 TRP A 45 11.449 11.623 3.910 1.00 71.21 H new ATOM 0 HE1 TRP A 45 9.333 11.496 2.428 1.00 42.25 H new ATOM 0 HE3 TRP A 45 9.351 7.433 5.952 1.00 2.51 H new ATOM 0 HZ2 TRP A 45 7.093 9.810 2.195 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 7.211 6.622 5.045 1.00 70.44 H new ATOM 0 HH2 TRP A 45 6.100 7.794 3.187 1.00 63.32 H new ATOM 663 N ALA A 46 11.726 7.073 3.750 1.00 25.32 N ATOM 664 CA ALA A 46 11.064 5.882 3.233 1.00 63.22 C ATOM 665 C ALA A 46 11.789 4.615 3.674 1.00 23.11 C ATOM 666 O ALA A 46 11.159 3.626 4.051 1.00 62.24 O ATOM 667 CB ALA A 46 10.980 5.942 1.715 1.00 51.32 C ATOM 0 H ALA A 46 11.937 7.779 3.044 1.00 25.32 H new ATOM 0 HA ALA A 46 10.054 5.852 3.642 1.00 63.22 H new ATOM 0 HB1 ALA A 46 10.483 5.046 1.342 1.00 51.32 H new ATOM 0 HB2 ALA A 46 10.411 6.823 1.417 1.00 51.32 H new ATOM 0 HB3 ALA A 46 11.985 6.000 1.297 1.00 51.32 H new ATOM 673 N LEU A 47 13.116 4.651 3.625 1.00 63.12 N ATOM 674 CA LEU A 47 13.928 3.505 4.019 1.00 30.43 C ATOM 675 C LEU A 47 13.536 3.013 5.409 1.00 64.51 C ATOM 676 O LEU A 47 13.469 1.809 5.656 1.00 74.24 O ATOM 677 CB LEU A 47 15.412 3.874 3.996 1.00 63.51 C ATOM 678 CG LEU A 47 15.972 4.318 2.644 1.00 24.41 C ATOM 679 CD1 LEU A 47 17.475 4.537 2.735 1.00 75.13 C ATOM 680 CD2 LEU A 47 15.645 3.292 1.568 1.00 2.24 C ATOM 0 H LEU A 47 13.653 5.462 3.316 1.00 63.12 H new ATOM 0 HA LEU A 47 13.749 2.701 3.305 1.00 30.43 H new ATOM 0 HB2 LEU A 47 15.578 4.675 4.716 1.00 63.51 H new ATOM 0 HB3 LEU A 47 15.985 3.013 4.339 1.00 63.51 H new ATOM 0 HG LEU A 47 15.503 5.263 2.371 1.00 24.41 H new ATOM 0 HD11 LEU A 47 17.856 4.853 1.764 1.00 75.13 H new ATOM 0 HD12 LEU A 47 17.686 5.308 3.476 1.00 75.13 H new ATOM 0 HD13 LEU A 47 17.961 3.607 3.031 1.00 75.13 H new ATOM 0 HD21 LEU A 47 16.051 3.625 0.613 1.00 2.24 H new ATOM 0 HD22 LEU A 47 16.086 2.332 1.835 1.00 2.24 H new ATOM 0 HD23 LEU A 47 14.564 3.184 1.485 1.00 2.24 H new ATOM 692 N ALA A 48 13.278 3.952 6.313 1.00 53.04 N ATOM 693 CA ALA A 48 12.888 3.614 7.676 1.00 45.00 C ATOM 694 C ALA A 48 11.406 3.267 7.754 1.00 54.24 C ATOM 695 O ALA A 48 10.973 2.549 8.654 1.00 31.22 O ATOM 696 CB ALA A 48 13.214 4.764 8.618 1.00 34.20 C ATOM 0 H ALA A 48 13.332 4.953 6.126 1.00 53.04 H new ATOM 0 HA ALA A 48 13.455 2.735 7.983 1.00 45.00 H new ATOM 0 HB1 ALA A 48 12.918 4.498 9.633 1.00 34.20 H new ATOM 0 HB2 ALA A 48 14.286 4.962 8.593 1.00 34.20 H new ATOM 0 HB3 ALA A 48 12.673 5.656 8.304 1.00 34.20 H new ATOM 702 N ALA A 49 10.632 3.783 6.804 1.00 35.14 N ATOM 703 CA ALA A 49 9.197 3.526 6.765 1.00 2.30 C ATOM 704 C ALA A 49 8.907 2.096 6.322 1.00 43.30 C ATOM 705 O ALA A 49 7.834 1.559 6.592 1.00 72.54 O ATOM 706 CB ALA A 49 8.509 4.518 5.839 1.00 71.24 C ATOM 0 H ALA A 49 10.974 4.381 6.052 1.00 35.14 H new ATOM 0 HA ALA A 49 8.802 3.653 7.773 1.00 2.30 H new ATOM 0 HB1 ALA A 49 7.438 4.315 5.819 1.00 71.24 H new ATOM 0 HB2 ALA A 49 8.679 5.532 6.201 1.00 71.24 H new ATOM 0 HB3 ALA A 49 8.916 4.419 4.833 1.00 71.24 H new ATOM 712 N ALA A 50 9.871 1.486 5.640 1.00 1.12 N ATOM 713 CA ALA A 50 9.719 0.118 5.161 1.00 63.10 C ATOM 714 C ALA A 50 9.284 -0.813 6.287 1.00 33.24 C ATOM 715 O ALA A 50 8.595 -1.805 6.054 1.00 35.34 O ATOM 716 CB ALA A 50 11.020 -0.372 4.542 1.00 50.01 C ATOM 0 H ALA A 50 10.765 1.918 5.407 1.00 1.12 H new ATOM 0 HA ALA A 50 8.941 0.111 4.398 1.00 63.10 H new ATOM 0 HB1 ALA A 50 10.892 -1.395 4.188 1.00 50.01 H new ATOM 0 HB2 ALA A 50 11.289 0.271 3.704 1.00 50.01 H new ATOM 0 HB3 ALA A 50 11.812 -0.343 5.290 1.00 50.01 H new ATOM 722 N GLY A 51 9.691 -0.487 7.510 1.00 3.42 N ATOM 723 CA GLY A 51 9.334 -1.305 8.654 1.00 1.44 C ATOM 724 C GLY A 51 7.834 -1.406 8.849 1.00 2.42 C ATOM 725 O GLY A 51 7.222 -2.413 8.496 1.00 22.10 O ATOM 0 H GLY A 51 10.262 0.329 7.729 1.00 3.42 H new ATOM 0 HA2 GLY A 51 9.749 -2.305 8.525 1.00 1.44 H new ATOM 0 HA3 GLY A 51 9.787 -0.885 9.552 1.00 1.44 H new ATOM 729 N ALA A 52 7.241 -0.359 9.414 1.00 33.55 N ATOM 730 CA ALA A 52 5.803 -0.335 9.655 1.00 4.35 C ATOM 731 C ALA A 52 5.345 1.050 10.099 1.00 11.33 C ATOM 732 O ALA A 52 5.634 1.483 11.215 1.00 4.35 O ATOM 733 CB ALA A 52 5.425 -1.377 10.697 1.00 31.03 C ATOM 0 H ALA A 52 7.733 0.483 9.713 1.00 33.55 H new ATOM 0 HA ALA A 52 5.298 -0.574 8.719 1.00 4.35 H new ATOM 0 HB1 ALA A 52 4.349 -1.348 10.867 1.00 31.03 H new ATOM 0 HB2 ALA A 52 5.709 -2.367 10.341 1.00 31.03 H new ATOM 0 HB3 ALA A 52 5.946 -1.164 11.631 1.00 31.03 H new ATOM 739 N LEU A 53 4.629 1.742 9.219 1.00 23.41 N ATOM 740 CA LEU A 53 4.131 3.079 9.520 1.00 11.21 C ATOM 741 C LEU A 53 2.662 3.213 9.131 1.00 0.23 C ATOM 742 O LEU A 53 1.780 3.219 9.989 1.00 3.02 O ATOM 743 CB LEU A 53 4.963 4.132 8.786 1.00 52.03 C ATOM 744 CG LEU A 53 6.168 4.685 9.546 1.00 3.35 C ATOM 745 CD1 LEU A 53 5.724 5.346 10.843 1.00 64.44 C ATOM 746 CD2 LEU A 53 7.175 3.580 9.827 1.00 64.52 C ATOM 0 H LEU A 53 4.381 1.399 8.291 1.00 23.41 H new ATOM 0 HA LEU A 53 4.219 3.240 10.594 1.00 11.21 H new ATOM 0 HB2 LEU A 53 5.317 3.699 7.850 1.00 52.03 H new ATOM 0 HB3 LEU A 53 4.310 4.965 8.525 1.00 52.03 H new ATOM 0 HG LEU A 53 6.650 5.439 8.924 1.00 3.35 H new ATOM 0 HD11 LEU A 53 6.595 5.734 11.371 1.00 64.44 H new ATOM 0 HD12 LEU A 53 5.041 6.166 10.619 1.00 64.44 H new ATOM 0 HD13 LEU A 53 5.217 4.613 11.470 1.00 64.44 H new ATOM 0 HD21 LEU A 53 8.026 3.993 10.369 1.00 64.52 H new ATOM 0 HD22 LEU A 53 6.704 2.803 10.429 1.00 64.52 H new ATOM 0 HD23 LEU A 53 7.518 3.152 8.885 1.00 64.52 H new ATOM 758 N GLY A 54 2.406 3.319 7.831 1.00 65.13 N ATOM 759 CA GLY A 54 1.043 3.449 7.351 1.00 41.22 C ATOM 760 C GLY A 54 0.729 2.482 6.226 1.00 4.24 C ATOM 761 O GLY A 54 0.423 1.315 6.470 1.00 41.43 O ATOM 0 H GLY A 54 3.119 3.317 7.101 1.00 65.13 H new ATOM 0 HA2 GLY A 54 0.352 3.277 8.177 1.00 41.22 H new ATOM 0 HA3 GLY A 54 0.879 4.470 7.005 1.00 41.22 H new ATOM 765 N ALA A 55 0.804 2.968 4.992 1.00 40.32 N ATOM 766 CA ALA A 55 0.526 2.139 3.826 1.00 31.30 C ATOM 767 C ALA A 55 1.656 1.145 3.577 1.00 13.31 C ATOM 768 O ALA A 55 2.488 1.344 2.691 1.00 31.03 O ATOM 769 CB ALA A 55 0.307 3.010 2.598 1.00 13.33 C ATOM 0 H ALA A 55 1.055 3.932 4.774 1.00 40.32 H new ATOM 0 HA ALA A 55 -0.384 1.573 4.023 1.00 31.30 H new ATOM 0 HB1 ALA A 55 0.100 2.377 1.735 1.00 13.33 H new ATOM 0 HB2 ALA A 55 -0.539 3.676 2.770 1.00 13.33 H new ATOM 0 HB3 ALA A 55 1.202 3.602 2.408 1.00 13.33 H new ATOM 775 N THR A 56 1.680 0.074 4.365 1.00 43.44 N ATOM 776 CA THR A 56 2.709 -0.949 4.231 1.00 61.21 C ATOM 777 C THR A 56 2.250 -2.073 3.310 1.00 74.44 C ATOM 778 O THR A 56 3.067 -2.773 2.713 1.00 44.23 O ATOM 779 CB THR A 56 3.090 -1.545 5.599 1.00 33.32 C ATOM 780 OG1 THR A 56 4.093 -2.554 5.432 1.00 13.45 O ATOM 781 CG2 THR A 56 1.872 -2.144 6.287 1.00 55.54 C ATOM 0 H THR A 56 0.999 -0.107 5.102 1.00 43.44 H new ATOM 0 HA THR A 56 3.583 -0.463 3.799 1.00 61.21 H new ATOM 0 HB THR A 56 3.482 -0.742 6.223 1.00 33.32 H new ATOM 0 HG1 THR A 56 4.331 -2.927 6.307 1.00 13.45 H new ATOM 0 HG21 THR A 56 2.166 -2.559 7.251 1.00 55.54 H new ATOM 0 HG22 THR A 56 1.122 -1.368 6.439 1.00 55.54 H new ATOM 0 HG23 THR A 56 1.455 -2.935 5.664 1.00 55.54 H new ATOM 789 N ALA A 57 0.936 -2.241 3.198 1.00 31.10 N ATOM 790 CA ALA A 57 0.368 -3.279 2.347 1.00 71.12 C ATOM 791 C ALA A 57 -0.550 -2.679 1.288 1.00 54.24 C ATOM 792 O ALA A 57 -0.997 -3.373 0.375 1.00 53.32 O ATOM 793 CB ALA A 57 -0.388 -4.297 3.188 1.00 10.32 C ATOM 0 H ALA A 57 0.245 -1.671 3.686 1.00 31.10 H new ATOM 0 HA ALA A 57 1.188 -3.784 1.836 1.00 71.12 H new ATOM 0 HB1 ALA A 57 -0.807 -5.066 2.539 1.00 10.32 H new ATOM 0 HB2 ALA A 57 0.294 -4.757 3.903 1.00 10.32 H new ATOM 0 HB3 ALA A 57 -1.194 -3.798 3.726 1.00 10.32 H new ATOM 799 N ALA A 58 -0.828 -1.386 1.416 1.00 14.43 N ATOM 800 CA ALA A 58 -1.693 -0.692 0.469 1.00 24.12 C ATOM 801 C ALA A 58 -1.079 -0.680 -0.927 1.00 32.42 C ATOM 802 O ALA A 58 -1.722 -1.074 -1.901 1.00 51.30 O ATOM 803 CB ALA A 58 -1.961 0.729 0.942 1.00 25.01 C ATOM 0 H ALA A 58 -0.467 -0.797 2.167 1.00 14.43 H new ATOM 0 HA ALA A 58 -2.639 -1.230 0.417 1.00 24.12 H new ATOM 0 HB1 ALA A 58 -2.608 1.235 0.225 1.00 25.01 H new ATOM 0 HB2 ALA A 58 -2.449 0.702 1.916 1.00 25.01 H new ATOM 0 HB3 ALA A 58 -1.018 1.269 1.024 1.00 25.01 H new