USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, 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 Single : A 1 ILE N :NH3+ -141:sc= -0.179 (180deg=-1.25) USER MOD Single : A 2 TYR OH : rot 150:sc= -3.73! USER MOD Single : A 7 GLN : amide:sc= -0.452 K(o=-0.45,f=-3.2!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=0) USER MOD Single : A 14 THR OG1 : rot -52:sc= 0.742 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 -60:sc= 0.807 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.974 -0.394 -1.158 1.00 11.35 N ATOM 2 CA ILE A 1 2.698 -0.546 -2.413 1.00 44.22 C ATOM 3 C ILE A 1 2.111 -1.674 -3.254 1.00 32.33 C ATOM 4 O ILE A 1 2.177 -1.646 -4.483 1.00 20.22 O ATOM 5 CB ILE A 1 4.193 -0.826 -2.170 1.00 61.43 C ATOM 6 CG1 ILE A 1 4.828 0.321 -1.382 1.00 22.44 C ATOM 7 CG2 ILE A 1 4.916 -1.030 -3.494 1.00 34.45 C ATOM 8 CD1 ILE A 1 4.843 1.634 -2.132 1.00 0.13 C ATOM 0 H1 ILE A 1 1.879 0.617 -0.932 1.00 11.35 H new ATOM 0 H3 ILE A 1 2.496 -0.871 -0.396 1.00 11.35 H new ATOM 0 HA ILE A 1 2.596 0.396 -2.952 1.00 44.22 H new ATOM 0 HB ILE A 1 4.285 -1.740 -1.583 1.00 61.43 H new ATOM 0 HG12 ILE A 1 4.285 0.453 -0.446 1.00 22.44 H new ATOM 0 HG13 ILE A 1 5.851 0.049 -1.121 1.00 22.44 H new ATOM 0 HG21 ILE A 1 5.971 -1.227 -3.306 1.00 34.45 H new ATOM 0 HG22 ILE A 1 4.477 -1.877 -4.021 1.00 34.45 H new ATOM 0 HG23 ILE A 1 4.818 -0.132 -4.104 1.00 34.45 H new ATOM 0 HD11 ILE A 1 5.307 2.401 -1.513 1.00 0.13 H new ATOM 0 HD12 ILE A 1 5.411 1.519 -3.055 1.00 0.13 H new ATOM 0 HD13 ILE A 1 3.821 1.929 -2.370 1.00 0.13 H new ATOM 20 N TYR A 2 1.534 -2.665 -2.583 1.00 65.40 N ATOM 21 CA TYR A 2 0.935 -3.805 -3.268 1.00 10.41 C ATOM 22 C TYR A 2 -0.441 -3.446 -3.820 1.00 52.30 C ATOM 23 O TYR A 2 -1.086 -4.256 -4.485 1.00 60.42 O ATOM 24 CB TYR A 2 0.820 -4.996 -2.316 1.00 31.04 C ATOM 25 CG TYR A 2 2.154 -5.500 -1.812 1.00 74.25 C ATOM 26 CD1 TYR A 2 2.838 -4.828 -0.808 1.00 3.44 C ATOM 27 CD2 TYR A 2 2.730 -6.648 -2.342 1.00 73.04 C ATOM 28 CE1 TYR A 2 4.058 -5.284 -0.345 1.00 55.12 C ATOM 29 CE2 TYR A 2 3.948 -7.112 -1.885 1.00 74.51 C ATOM 30 CZ TYR A 2 4.608 -6.427 -0.887 1.00 13.04 C ATOM 31 OH TYR A 2 5.822 -6.886 -0.429 1.00 51.44 O ATOM 0 H TYR A 2 1.468 -2.702 -1.566 1.00 65.40 H new ATOM 0 HA TYR A 2 1.582 -4.077 -4.102 1.00 10.41 H new ATOM 0 HB2 TYR A 2 0.203 -4.711 -1.464 1.00 31.04 H new ATOM 0 HB3 TYR A 2 0.303 -5.809 -2.826 1.00 31.04 H new ATOM 0 HD1 TYR A 2 2.409 -3.933 -0.381 1.00 3.44 H new ATOM 0 HD2 TYR A 2 2.217 -7.187 -3.125 1.00 73.04 H new ATOM 0 HE1 TYR A 2 4.577 -4.749 0.436 1.00 55.12 H new ATOM 0 HE2 TYR A 2 4.381 -8.007 -2.307 1.00 74.51 H new ATOM 0 HH TYR A 2 5.857 -7.862 -0.516 1.00 51.44 H new ATOM 41 N TRP A 3 -0.884 -2.225 -3.540 1.00 23.45 N ATOM 42 CA TRP A 3 -2.183 -1.757 -4.008 1.00 72.32 C ATOM 43 C TRP A 3 -2.021 -0.691 -5.086 1.00 15.02 C ATOM 44 O TRP A 3 -2.824 -0.609 -6.016 1.00 32.20 O ATOM 45 CB TRP A 3 -2.999 -1.200 -2.840 1.00 71.34 C ATOM 46 CG TRP A 3 -4.373 -0.752 -3.236 1.00 53.04 C ATOM 47 CD1 TRP A 3 -5.492 -1.529 -3.336 1.00 11.03 C ATOM 48 CD2 TRP A 3 -4.773 0.577 -3.588 1.00 10.11 C ATOM 49 NE1 TRP A 3 -6.563 -0.763 -3.728 1.00 12.23 N ATOM 50 CE2 TRP A 3 -6.149 0.533 -3.888 1.00 64.22 C ATOM 51 CE3 TRP A 3 -4.104 1.801 -3.676 1.00 64.42 C ATOM 52 CZ2 TRP A 3 -6.863 1.665 -4.271 1.00 35.41 C ATOM 53 CZ3 TRP A 3 -4.814 2.923 -4.056 1.00 75.14 C ATOM 54 CH2 TRP A 3 -6.183 2.849 -4.349 1.00 42.12 C ATOM 0 H TRP A 3 -0.362 -1.542 -2.991 1.00 23.45 H new ATOM 0 HA TRP A 3 -2.713 -2.606 -4.440 1.00 72.32 H new ATOM 0 HB2 TRP A 3 -3.082 -1.964 -2.067 1.00 71.34 H new ATOM 0 HB3 TRP A 3 -2.463 -0.359 -2.400 1.00 71.34 H new ATOM 0 HD1 TRP A 3 -5.529 -2.590 -3.136 1.00 11.03 H new ATOM 0 HE1 TRP A 3 -7.513 -1.104 -3.876 1.00 12.23 H new ATOM 0 HE3 TRP A 3 -3.050 1.868 -3.451 1.00 64.42 H new ATOM 0 HZ2 TRP A 3 -7.917 1.610 -4.499 1.00 35.41 H new ATOM 0 HZ3 TRP A 3 -4.306 3.873 -4.129 1.00 75.14 H new ATOM 0 HH2 TRP A 3 -6.711 3.744 -4.642 1.00 42.12 H new ATOM 65 N ILE A 4 -0.980 0.123 -4.955 1.00 2.43 N ATOM 66 CA ILE A 4 -0.713 1.183 -5.919 1.00 14.50 C ATOM 67 C ILE A 4 -0.202 0.612 -7.237 1.00 4.02 C ATOM 68 O ILE A 4 -0.498 1.137 -8.310 1.00 12.04 O ATOM 69 CB ILE A 4 0.315 2.193 -5.376 1.00 63.11 C ATOM 70 CG1 ILE A 4 -0.262 2.947 -4.176 1.00 24.40 C ATOM 71 CG2 ILE A 4 0.731 3.166 -6.470 1.00 32.45 C ATOM 72 CD1 ILE A 4 0.509 2.721 -2.894 1.00 11.52 C ATOM 0 H ILE A 4 -0.307 0.069 -4.190 1.00 2.43 H new ATOM 0 HA ILE A 4 -1.658 1.697 -6.091 1.00 14.50 H new ATOM 0 HB ILE A 4 1.199 1.647 -5.047 1.00 63.11 H new ATOM 0 HG12 ILE A 4 -0.275 4.014 -4.399 1.00 24.40 H new ATOM 0 HG13 ILE A 4 -1.297 2.640 -4.027 1.00 24.40 H new ATOM 0 HG21 ILE A 4 1.458 3.873 -6.071 1.00 32.45 H new ATOM 0 HG22 ILE A 4 1.178 2.614 -7.297 1.00 32.45 H new ATOM 0 HG23 ILE A 4 -0.145 3.708 -6.827 1.00 32.45 H new ATOM 0 HD11 ILE A 4 0.044 3.285 -2.086 1.00 11.52 H new ATOM 0 HD12 ILE A 4 0.501 1.659 -2.647 1.00 11.52 H new ATOM 0 HD13 ILE A 4 1.538 3.055 -3.025 1.00 11.52 H new ATOM 84 N ALA A 5 0.568 -0.468 -7.148 1.00 74.20 N ATOM 85 CA ALA A 5 1.118 -1.114 -8.333 1.00 54.25 C ATOM 86 C ALA A 5 0.011 -1.710 -9.197 1.00 42.33 C ATOM 87 O ALA A 5 0.217 -1.992 -10.378 1.00 35.32 O ATOM 88 CB ALA A 5 2.115 -2.191 -7.933 1.00 41.30 C ATOM 0 H ALA A 5 0.825 -0.914 -6.267 1.00 74.20 H new ATOM 0 HA ALA A 5 1.635 -0.357 -8.922 1.00 54.25 H new ATOM 0 HB1 ALA A 5 2.517 -2.665 -8.828 1.00 41.30 H new ATOM 0 HB2 ALA A 5 2.928 -1.741 -7.364 1.00 41.30 H new ATOM 0 HB3 ALA A 5 1.615 -2.940 -7.320 1.00 41.30 H new ATOM 94 N ASP A 6 -1.161 -1.899 -8.601 1.00 41.15 N ATOM 95 CA ASP A 6 -2.300 -2.461 -9.317 1.00 74.30 C ATOM 96 C ASP A 6 -3.111 -1.362 -9.997 1.00 71.52 C ATOM 97 O ASP A 6 -3.087 -1.228 -11.220 1.00 41.22 O ATOM 98 CB ASP A 6 -3.193 -3.251 -8.358 1.00 65.22 C ATOM 99 CG ASP A 6 -2.735 -4.687 -8.192 1.00 72.11 C ATOM 100 OD1 ASP A 6 -1.825 -4.929 -7.371 1.00 73.24 O ATOM 101 OD2 ASP A 6 -3.288 -5.569 -8.882 1.00 42.22 O ATOM 0 H ASP A 6 -1.347 -1.671 -7.624 1.00 41.15 H new ATOM 0 HA ASP A 6 -1.919 -3.134 -10.085 1.00 74.30 H new ATOM 0 HB2 ASP A 6 -3.200 -2.760 -7.385 1.00 65.22 H new ATOM 0 HB3 ASP A 6 -4.218 -3.240 -8.728 1.00 65.22 H new ATOM 106 N GLN A 7 -3.828 -0.581 -9.196 1.00 72.11 N ATOM 107 CA GLN A 7 -4.647 0.504 -9.722 1.00 15.43 C ATOM 108 C GLN A 7 -3.829 1.412 -10.634 1.00 62.31 C ATOM 109 O GLN A 7 -4.109 1.525 -11.828 1.00 0.24 O ATOM 110 CB GLN A 7 -5.246 1.321 -8.575 1.00 75.22 C ATOM 111 CG GLN A 7 -6.094 0.497 -7.620 1.00 34.33 C ATOM 112 CD GLN A 7 -7.433 0.106 -8.216 1.00 5.24 C ATOM 113 OE1 GLN A 7 -7.496 -0.494 -9.289 1.00 23.54 O ATOM 114 NE2 GLN A 7 -8.512 0.446 -7.521 1.00 30.22 N ATOM 0 H GLN A 7 -3.858 -0.679 -8.181 1.00 72.11 H new ATOM 0 HA GLN A 7 -5.455 0.064 -10.307 1.00 15.43 H new ATOM 0 HB2 GLN A 7 -4.438 1.793 -8.016 1.00 75.22 H new ATOM 0 HB3 GLN A 7 -5.857 2.122 -8.991 1.00 75.22 H new ATOM 0 HG2 GLN A 7 -5.548 -0.404 -7.341 1.00 34.33 H new ATOM 0 HG3 GLN A 7 -6.260 1.066 -6.705 1.00 34.33 H new ATOM 0 HE21 GLN A 7 -8.413 0.943 -6.636 1.00 30.22 H new ATOM 0 HE22 GLN A 7 -9.440 0.210 -7.872 1.00 30.22 H new ATOM 123 N PHE A 8 -2.816 2.057 -10.065 1.00 21.42 N ATOM 124 CA PHE A 8 -1.957 2.955 -10.827 1.00 2.53 C ATOM 125 C PHE A 8 -0.956 2.168 -11.668 1.00 12.41 C ATOM 126 O PHE A 8 -1.007 2.192 -12.897 1.00 35.02 O ATOM 127 CB PHE A 8 -1.213 3.905 -9.885 1.00 32.21 C ATOM 128 CG PHE A 8 -2.120 4.654 -8.950 1.00 64.41 C ATOM 129 CD1 PHE A 8 -2.548 4.074 -7.767 1.00 5.14 C ATOM 130 CD2 PHE A 8 -2.544 5.937 -9.255 1.00 71.33 C ATOM 131 CE1 PHE A 8 -3.381 4.761 -6.904 1.00 34.51 C ATOM 132 CE2 PHE A 8 -3.377 6.628 -8.396 1.00 55.15 C ATOM 133 CZ PHE A 8 -3.798 6.039 -7.220 1.00 24.10 C ATOM 0 H PHE A 8 -2.570 1.974 -9.079 1.00 21.42 H new ATOM 0 HA PHE A 8 -2.588 3.539 -11.497 1.00 2.53 H new ATOM 0 HB2 PHE A 8 -0.493 3.333 -9.300 1.00 32.21 H new ATOM 0 HB3 PHE A 8 -0.645 4.621 -10.478 1.00 32.21 H new ATOM 0 HD1 PHE A 8 -2.227 3.074 -7.516 1.00 5.14 H new ATOM 0 HD2 PHE A 8 -2.220 6.402 -10.174 1.00 71.33 H new ATOM 0 HE1 PHE A 8 -3.705 4.299 -5.983 1.00 34.51 H new ATOM 0 HE2 PHE A 8 -3.699 7.629 -8.644 1.00 55.15 H new ATOM 0 HZ PHE A 8 -4.452 6.577 -6.549 1.00 24.10 H new ATOM 143 N GLY A 9 -0.045 1.472 -10.995 1.00 71.42 N ATOM 144 CA GLY A 9 0.955 0.688 -11.696 1.00 22.32 C ATOM 145 C GLY A 9 1.754 1.516 -12.683 1.00 73.41 C ATOM 146 O GLY A 9 1.645 1.324 -13.895 1.00 12.24 O ATOM 0 H GLY A 9 0.018 1.437 -9.978 1.00 71.42 H new ATOM 0 HA2 GLY A 9 1.633 0.238 -10.971 1.00 22.32 H new ATOM 0 HA3 GLY A 9 0.466 -0.130 -12.225 1.00 22.32 H new ATOM 150 N ILE A 10 2.557 2.439 -12.165 1.00 72.12 N ATOM 151 CA ILE A 10 3.376 3.299 -13.010 1.00 52.12 C ATOM 152 C ILE A 10 4.193 2.478 -14.002 1.00 5.24 C ATOM 153 O ILE A 10 4.772 1.451 -13.646 1.00 34.34 O ATOM 154 CB ILE A 10 4.330 4.169 -12.171 1.00 22.12 C ATOM 155 CG1 ILE A 10 3.546 4.955 -11.119 1.00 11.45 C ATOM 156 CG2 ILE A 10 5.115 5.113 -13.069 1.00 70.25 C ATOM 157 CD1 ILE A 10 2.462 5.833 -11.704 1.00 0.31 C ATOM 0 H ILE A 10 2.658 2.610 -11.165 1.00 72.12 H new ATOM 0 HA ILE A 10 2.692 3.948 -13.556 1.00 52.12 H new ATOM 0 HB ILE A 10 5.036 3.516 -11.658 1.00 22.12 H new ATOM 0 HG12 ILE A 10 3.095 4.255 -10.416 1.00 11.45 H new ATOM 0 HG13 ILE A 10 4.238 5.576 -10.551 1.00 11.45 H new ATOM 0 HG21 ILE A 10 5.785 5.721 -12.461 1.00 70.25 H new ATOM 0 HG22 ILE A 10 5.700 4.533 -13.784 1.00 70.25 H new ATOM 0 HG23 ILE A 10 4.424 5.762 -13.607 1.00 70.25 H new ATOM 0 HD11 ILE A 10 1.948 6.360 -10.900 1.00 0.31 H new ATOM 0 HD12 ILE A 10 2.909 6.557 -12.386 1.00 0.31 H new ATOM 0 HD13 ILE A 10 1.748 5.215 -12.248 1.00 0.31 H new ATOM 169 N HIS A 11 4.239 2.939 -15.248 1.00 2.25 N ATOM 170 CA HIS A 11 4.989 2.249 -16.291 1.00 72.11 C ATOM 171 C HIS A 11 6.422 1.978 -15.842 1.00 75.10 C ATOM 172 O HIS A 11 6.994 0.932 -16.154 1.00 13.54 O ATOM 173 CB HIS A 11 4.993 3.076 -17.577 1.00 71.43 C ATOM 174 CG HIS A 11 3.821 2.802 -18.469 1.00 62.41 C ATOM 175 ND1 HIS A 11 3.830 3.060 -19.824 1.00 32.24 N ATOM 176 CD2 HIS A 11 2.600 2.287 -18.193 1.00 50.24 C ATOM 177 CE1 HIS A 11 2.664 2.718 -20.342 1.00 71.22 C ATOM 178 NE2 HIS A 11 1.900 2.246 -19.374 1.00 33.41 N ATOM 0 H HIS A 11 3.766 3.787 -15.560 1.00 2.25 H new ATOM 0 HA HIS A 11 4.501 1.294 -16.483 1.00 72.11 H new ATOM 0 HB2 HIS A 11 5.003 4.135 -17.318 1.00 71.43 H new ATOM 0 HB3 HIS A 11 5.912 2.874 -18.126 1.00 71.43 H new ATOM 0 HD2 HIS A 11 2.243 1.968 -17.225 1.00 50.24 H new ATOM 0 HE1 HIS A 11 2.383 2.809 -21.381 1.00 71.22 H new ATOM 0 HE2 HIS A 11 0.945 1.906 -19.485 1.00 33.41 H new ATOM 186 N LEU A 12 6.996 2.926 -15.110 1.00 30.44 N ATOM 187 CA LEU A 12 8.363 2.790 -14.618 1.00 33.40 C ATOM 188 C LEU A 12 8.546 1.469 -13.877 1.00 61.12 C ATOM 189 O LEU A 12 9.261 0.581 -14.340 1.00 24.34 O ATOM 190 CB LEU A 12 8.712 3.958 -13.695 1.00 2.13 C ATOM 191 CG LEU A 12 10.108 4.557 -13.869 1.00 24.23 C ATOM 192 CD1 LEU A 12 11.176 3.532 -13.517 1.00 40.34 C ATOM 193 CD2 LEU A 12 10.299 5.062 -15.292 1.00 33.54 C ATOM 0 H LEU A 12 6.537 3.797 -14.844 1.00 30.44 H new ATOM 0 HA LEU A 12 9.035 2.800 -15.476 1.00 33.40 H new ATOM 0 HB2 LEU A 12 7.978 4.749 -13.849 1.00 2.13 H new ATOM 0 HB3 LEU A 12 8.608 3.623 -12.663 1.00 2.13 H new ATOM 0 HG LEU A 12 10.207 5.403 -13.189 1.00 24.23 H new ATOM 0 HD11 LEU A 12 12.163 3.976 -13.647 1.00 40.34 H new ATOM 0 HD12 LEU A 12 11.052 3.219 -12.480 1.00 40.34 H new ATOM 0 HD13 LEU A 12 11.079 2.666 -14.172 1.00 40.34 H new ATOM 0 HD21 LEU A 12 11.298 5.485 -15.397 1.00 33.54 H new ATOM 0 HD22 LEU A 12 10.180 4.234 -15.991 1.00 33.54 H new ATOM 0 HD23 LEU A 12 9.556 5.829 -15.509 1.00 33.54 H new ATOM 205 N ALA A 13 7.893 1.347 -12.726 1.00 64.51 N ATOM 206 CA ALA A 13 7.981 0.133 -11.924 1.00 20.15 C ATOM 207 C ALA A 13 6.983 -0.916 -12.403 1.00 41.32 C ATOM 208 O ALA A 13 6.179 -1.426 -11.623 1.00 32.14 O ATOM 209 CB ALA A 13 7.748 0.454 -10.455 1.00 34.54 C ATOM 0 H ALA A 13 7.298 2.074 -12.328 1.00 64.51 H new ATOM 0 HA ALA A 13 8.984 -0.278 -12.041 1.00 20.15 H new ATOM 0 HB1 ALA A 13 7.816 -0.461 -9.867 1.00 34.54 H new ATOM 0 HB2 ALA A 13 8.503 1.162 -10.113 1.00 34.54 H new ATOM 0 HB3 ALA A 13 6.757 0.892 -10.331 1.00 34.54 H new ATOM 215 N THR A 14 7.039 -1.233 -13.693 1.00 22.20 N ATOM 216 CA THR A 14 6.139 -2.220 -14.277 1.00 42.51 C ATOM 217 C THR A 14 6.759 -3.612 -14.253 1.00 42.11 C ATOM 218 O THR A 14 6.571 -4.402 -15.177 1.00 34.10 O ATOM 219 CB THR A 14 5.775 -1.857 -15.729 1.00 71.22 C ATOM 220 OG1 THR A 14 4.766 -2.748 -16.218 1.00 61.11 O ATOM 221 CG2 THR A 14 7.000 -1.928 -16.628 1.00 40.13 C ATOM 0 H THR A 14 7.698 -0.820 -14.353 1.00 22.20 H new ATOM 0 HA THR A 14 5.233 -2.219 -13.672 1.00 42.51 H new ATOM 0 HB THR A 14 5.394 -0.836 -15.741 1.00 71.22 H new ATOM 0 HG1 THR A 14 5.051 -3.675 -16.076 1.00 61.11 H new ATOM 0 HG21 THR A 14 6.718 -1.668 -17.648 1.00 40.13 H new ATOM 0 HG22 THR A 14 7.755 -1.228 -16.270 1.00 40.13 H new ATOM 0 HG23 THR A 14 7.406 -2.939 -16.611 1.00 40.13 H new ATOM 229 N GLY A 15 7.500 -3.907 -13.189 1.00 1.20 N ATOM 230 CA GLY A 15 8.136 -5.205 -13.065 1.00 21.23 C ATOM 231 C GLY A 15 9.560 -5.107 -12.554 1.00 12.14 C ATOM 232 O GLY A 15 10.463 -5.758 -13.079 1.00 62.32 O ATOM 0 H GLY A 15 7.671 -3.270 -12.411 1.00 1.20 H new ATOM 0 HA2 GLY A 15 7.552 -5.829 -12.388 1.00 21.23 H new ATOM 0 HA3 GLY A 15 8.135 -5.701 -14.036 1.00 21.23 H new ATOM 236 N THR A 16 9.763 -4.288 -11.526 1.00 31.53 N ATOM 237 CA THR A 16 11.087 -4.105 -10.945 1.00 51.52 C ATOM 238 C THR A 16 11.055 -4.290 -9.433 1.00 32.34 C ATOM 239 O THR A 16 11.787 -5.113 -8.883 1.00 53.11 O ATOM 240 CB THR A 16 11.653 -2.709 -11.268 1.00 13.43 C ATOM 241 OG1 THR A 16 11.490 -2.424 -12.662 1.00 22.13 O ATOM 242 CG2 THR A 16 13.125 -2.622 -10.896 1.00 22.33 C ATOM 0 H THR A 16 9.027 -3.741 -11.079 1.00 31.53 H new ATOM 0 HA THR A 16 11.734 -4.863 -11.387 1.00 51.52 H new ATOM 0 HB THR A 16 11.102 -1.974 -10.681 1.00 13.43 H new ATOM 0 HG1 THR A 16 11.851 -1.534 -12.858 1.00 22.13 H new ATOM 0 HG21 THR A 16 13.502 -1.627 -11.133 1.00 22.33 H new ATOM 0 HG22 THR A 16 13.242 -2.809 -9.829 1.00 22.33 H new ATOM 0 HG23 THR A 16 13.687 -3.367 -11.459 1.00 22.33 H new ATOM 250 N ALA A 17 10.201 -3.521 -8.765 1.00 3.04 N ATOM 251 CA ALA A 17 10.072 -3.603 -7.315 1.00 61.21 C ATOM 252 C ALA A 17 9.516 -4.958 -6.889 1.00 42.15 C ATOM 253 O ALA A 17 9.752 -5.412 -5.770 1.00 15.14 O ATOM 254 CB ALA A 17 9.184 -2.481 -6.800 1.00 12.41 C ATOM 0 H ALA A 17 9.588 -2.834 -9.205 1.00 3.04 H new ATOM 0 HA ALA A 17 11.065 -3.494 -6.880 1.00 61.21 H new ATOM 0 HB1 ALA A 17 9.097 -2.555 -5.716 1.00 12.41 H new ATOM 0 HB2 ALA A 17 9.623 -1.519 -7.064 1.00 12.41 H new ATOM 0 HB3 ALA A 17 8.195 -2.564 -7.250 1.00 12.41 H new ATOM 260 N ARG A 18 8.777 -5.598 -7.790 1.00 23.45 N ATOM 261 CA ARG A 18 8.186 -6.901 -7.506 1.00 2.41 C ATOM 262 C ARG A 18 9.259 -7.909 -7.106 1.00 1.05 C ATOM 263 O ARG A 18 9.146 -8.577 -6.078 1.00 22.33 O ATOM 264 CB ARG A 18 7.419 -7.413 -8.726 1.00 64.13 C ATOM 265 CG ARG A 18 6.030 -6.814 -8.868 1.00 73.11 C ATOM 266 CD ARG A 18 5.078 -7.358 -7.814 1.00 23.21 C ATOM 267 NE ARG A 18 4.482 -8.629 -8.218 1.00 41.41 N ATOM 268 CZ ARG A 18 3.580 -9.280 -7.493 1.00 74.54 C ATOM 269 NH1 ARG A 18 3.171 -8.784 -6.334 1.00 1.30 N ATOM 270 NH2 ARG A 18 3.083 -10.432 -7.928 1.00 43.45 N ATOM 0 H ARG A 18 8.573 -5.236 -8.722 1.00 23.45 H new ATOM 0 HA ARG A 18 7.493 -6.784 -6.673 1.00 2.41 H new ATOM 0 HB2 ARG A 18 7.994 -7.192 -9.625 1.00 64.13 H new ATOM 0 HB3 ARG A 18 7.333 -8.498 -8.661 1.00 64.13 H new ATOM 0 HG2 ARG A 18 6.090 -5.729 -8.781 1.00 73.11 H new ATOM 0 HG3 ARG A 18 5.638 -7.033 -9.861 1.00 73.11 H new ATOM 0 HD2 ARG A 18 5.615 -7.492 -6.875 1.00 23.21 H new ATOM 0 HD3 ARG A 18 4.288 -6.630 -7.629 1.00 23.21 H new ATOM 0 HE ARG A 18 4.775 -9.039 -9.105 1.00 41.41 H new ATOM 0 HH11 ARG A 18 3.549 -7.899 -5.996 1.00 1.30 H new ATOM 0 HH12 ARG A 18 2.478 -9.287 -5.780 1.00 1.30 H new ATOM 0 HH21 ARG A 18 3.394 -10.817 -8.820 1.00 43.45 H new ATOM 0 HH22 ARG A 18 2.390 -10.931 -7.370 1.00 43.45 H new ATOM 284 N LYS A 19 10.300 -8.014 -7.925 1.00 20.13 N ATOM 285 CA LYS A 19 11.394 -8.940 -7.657 1.00 43.22 C ATOM 286 C LYS A 19 12.010 -8.673 -6.287 1.00 60.13 C ATOM 287 O LYS A 19 12.599 -9.565 -5.676 1.00 23.42 O ATOM 288 CB LYS A 19 12.467 -8.821 -8.742 1.00 40.21 C ATOM 289 CG LYS A 19 11.938 -9.044 -10.148 1.00 74.31 C ATOM 290 CD LYS A 19 12.736 -8.260 -11.176 1.00 30.11 C ATOM 291 CE LYS A 19 14.098 -8.890 -11.422 1.00 44.21 C ATOM 292 NZ LYS A 19 15.057 -7.921 -12.023 1.00 74.45 N ATOM 0 H LYS A 19 10.409 -7.469 -8.780 1.00 20.13 H new ATOM 0 HA LYS A 19 10.990 -9.952 -7.663 1.00 43.22 H new ATOM 0 HB2 LYS A 19 12.920 -7.831 -8.686 1.00 40.21 H new ATOM 0 HB3 LYS A 19 13.257 -9.545 -8.541 1.00 40.21 H new ATOM 0 HG2 LYS A 19 11.978 -10.106 -10.388 1.00 74.31 H new ATOM 0 HG3 LYS A 19 10.891 -8.746 -10.195 1.00 74.31 H new ATOM 0 HD2 LYS A 19 12.180 -8.215 -12.113 1.00 30.11 H new ATOM 0 HD3 LYS A 19 12.865 -7.234 -10.832 1.00 30.11 H new ATOM 0 HE2 LYS A 19 14.501 -9.263 -10.480 1.00 44.21 H new ATOM 0 HE3 LYS A 19 13.987 -9.749 -12.084 1.00 44.21 H new ATOM 0 HZ1 LYS A 19 15.973 -8.389 -12.175 1.00 74.45 H new ATOM 0 HZ2 LYS A 19 14.685 -7.584 -12.934 1.00 74.45 H new ATOM 0 HZ3 LYS A 19 15.183 -7.113 -11.380 1.00 74.45 H new ATOM 306 N LEU A 20 11.869 -7.441 -5.810 1.00 72.51 N ATOM 307 CA LEU A 20 12.410 -7.058 -4.511 1.00 10.32 C ATOM 308 C LEU A 20 11.440 -7.417 -3.389 1.00 64.14 C ATOM 309 O LEU A 20 11.834 -7.993 -2.374 1.00 44.42 O ATOM 310 CB LEU A 20 12.706 -5.557 -4.483 1.00 25.32 C ATOM 311 CG LEU A 20 13.984 -5.112 -5.195 1.00 24.33 C ATOM 312 CD1 LEU A 20 14.019 -3.598 -5.332 1.00 25.12 C ATOM 313 CD2 LEU A 20 15.213 -5.611 -4.447 1.00 54.50 C ATOM 0 H LEU A 20 11.385 -6.691 -6.303 1.00 72.51 H new ATOM 0 HA LEU A 20 13.337 -7.609 -4.355 1.00 10.32 H new ATOM 0 HB2 LEU A 20 11.862 -5.032 -4.931 1.00 25.32 H new ATOM 0 HB3 LEU A 20 12.764 -5.238 -3.442 1.00 25.32 H new ATOM 0 HG LEU A 20 13.991 -5.547 -6.195 1.00 24.33 H new ATOM 0 HD11 LEU A 20 14.936 -3.300 -5.841 1.00 25.12 H new ATOM 0 HD12 LEU A 20 13.158 -3.265 -5.911 1.00 25.12 H new ATOM 0 HD13 LEU A 20 13.989 -3.142 -4.342 1.00 25.12 H new ATOM 0 HD21 LEU A 20 16.113 -5.285 -4.968 1.00 54.50 H new ATOM 0 HD22 LEU A 20 15.212 -5.206 -3.435 1.00 54.50 H new ATOM 0 HD23 LEU A 20 15.194 -6.700 -4.402 1.00 54.50 H new ATOM 325 N LEU A 21 10.171 -7.076 -3.580 1.00 52.03 N ATOM 326 CA LEU A 21 9.143 -7.365 -2.586 1.00 2.41 C ATOM 327 C LEU A 21 8.904 -8.867 -2.471 1.00 14.44 C ATOM 328 O LEU A 21 8.302 -9.337 -1.505 1.00 54.11 O ATOM 329 CB LEU A 21 7.838 -6.655 -2.951 1.00 63.04 C ATOM 330 CG LEU A 21 7.799 -5.148 -2.694 1.00 71.25 C ATOM 331 CD1 LEU A 21 6.603 -4.519 -3.392 1.00 42.23 C ATOM 332 CD2 LEU A 21 7.758 -4.863 -1.200 1.00 52.23 C ATOM 0 H LEU A 21 9.829 -6.599 -4.414 1.00 52.03 H new ATOM 0 HA LEU A 21 9.492 -6.997 -1.621 1.00 2.41 H new ATOM 0 HB2 LEU A 21 7.637 -6.828 -4.008 1.00 63.04 H new ATOM 0 HB3 LEU A 21 7.026 -7.120 -2.392 1.00 63.04 H new ATOM 0 HG LEU A 21 8.707 -4.705 -3.103 1.00 71.25 H new ATOM 0 HD11 LEU A 21 6.591 -3.446 -3.198 1.00 42.23 H new ATOM 0 HD12 LEU A 21 6.675 -4.693 -4.466 1.00 42.23 H new ATOM 0 HD13 LEU A 21 5.684 -4.966 -3.013 1.00 42.23 H new ATOM 0 HD21 LEU A 21 7.731 -3.786 -1.036 1.00 52.23 H new ATOM 0 HD22 LEU A 21 6.868 -5.319 -0.767 1.00 52.23 H new ATOM 0 HD23 LEU A 21 8.646 -5.280 -0.726 1.00 52.23 H new ATOM 344 N ASP A 22 9.380 -9.614 -3.460 1.00 4.01 N ATOM 345 CA ASP A 22 9.221 -11.064 -3.468 1.00 41.41 C ATOM 346 C ASP A 22 10.469 -11.750 -2.921 1.00 74.41 C ATOM 347 O ASP A 22 10.604 -12.971 -3.003 1.00 54.22 O ATOM 348 CB ASP A 22 8.932 -11.558 -4.886 1.00 71.22 C ATOM 349 CG ASP A 22 8.350 -12.958 -4.904 1.00 24.12 C ATOM 350 OD1 ASP A 22 7.199 -13.129 -4.450 1.00 42.41 O ATOM 351 OD2 ASP A 22 9.046 -13.883 -5.372 1.00 60.20 O ATOM 0 H ASP A 22 9.879 -9.240 -4.267 1.00 4.01 H new ATOM 0 HA ASP A 22 8.378 -11.317 -2.825 1.00 41.41 H new ATOM 0 HB2 ASP A 22 8.237 -10.873 -5.372 1.00 71.22 H new ATOM 0 HB3 ASP A 22 9.854 -11.543 -5.468 1.00 71.22 H new ATOM 356 N ALA A 23 11.378 -10.958 -2.364 1.00 1.41 N ATOM 357 CA ALA A 23 12.614 -11.489 -1.803 1.00 31.33 C ATOM 358 C ALA A 23 12.896 -10.889 -0.430 1.00 31.25 C ATOM 359 O ALA A 23 13.344 -11.584 0.483 1.00 73.23 O ATOM 360 CB ALA A 23 13.778 -11.225 -2.746 1.00 4.13 C ATOM 0 H ALA A 23 11.282 -9.945 -2.289 1.00 1.41 H new ATOM 0 HA ALA A 23 12.496 -12.566 -1.682 1.00 31.33 H new ATOM 0 HB1 ALA A 23 14.695 -11.627 -2.314 1.00 4.13 H new ATOM 0 HB2 ALA A 23 13.586 -11.708 -3.704 1.00 4.13 H new ATOM 0 HB3 ALA A 23 13.888 -10.151 -2.896 1.00 4.13 H new ATOM 366 N VAL A 24 12.632 -9.594 -0.289 1.00 73.11 N ATOM 367 CA VAL A 24 12.857 -8.900 0.973 1.00 31.44 C ATOM 368 C VAL A 24 11.984 -9.479 2.082 1.00 41.25 C ATOM 369 O VAL A 24 12.390 -9.531 3.242 1.00 63.41 O ATOM 370 CB VAL A 24 12.571 -7.392 0.844 1.00 31.51 C ATOM 371 CG1 VAL A 24 13.495 -6.760 -0.186 1.00 34.13 C ATOM 372 CG2 VAL A 24 11.113 -7.156 0.481 1.00 73.43 C ATOM 0 H VAL A 24 12.262 -9.004 -1.034 1.00 73.11 H new ATOM 0 HA VAL A 24 13.907 -9.042 1.229 1.00 31.44 H new ATOM 0 HB VAL A 24 12.763 -6.919 1.807 1.00 31.51 H new ATOM 0 HG11 VAL A 24 13.279 -5.695 -0.264 1.00 34.13 H new ATOM 0 HG12 VAL A 24 14.532 -6.898 0.122 1.00 34.13 H new ATOM 0 HG13 VAL A 24 13.338 -7.234 -1.155 1.00 34.13 H new ATOM 0 HG21 VAL A 24 10.928 -6.085 0.394 1.00 73.43 H new ATOM 0 HG22 VAL A 24 10.892 -7.641 -0.470 1.00 73.43 H new ATOM 0 HG23 VAL A 24 10.472 -7.573 1.258 1.00 73.43 H new ATOM 382 N ALA A 25 10.782 -9.912 1.715 1.00 24.52 N ATOM 383 CA ALA A 25 9.853 -10.490 2.678 1.00 55.12 C ATOM 384 C ALA A 25 10.471 -11.689 3.387 1.00 23.44 C ATOM 385 O ALA A 25 10.065 -12.046 4.493 1.00 35.30 O ATOM 386 CB ALA A 25 8.559 -10.893 1.985 1.00 21.34 C ATOM 0 H ALA A 25 10.429 -9.873 0.759 1.00 24.52 H new ATOM 0 HA ALA A 25 9.630 -9.733 3.430 1.00 55.12 H new ATOM 0 HB1 ALA A 25 7.874 -11.323 2.715 1.00 21.34 H new ATOM 0 HB2 ALA A 25 8.101 -10.014 1.531 1.00 21.34 H new ATOM 0 HB3 ALA A 25 8.775 -11.630 1.212 1.00 21.34 H new ATOM 392 N SER A 26 11.456 -12.308 2.744 1.00 24.23 N ATOM 393 CA SER A 26 12.128 -13.471 3.312 1.00 3.15 C ATOM 394 C SER A 26 13.631 -13.230 3.422 1.00 31.23 C ATOM 395 O SER A 26 14.420 -14.173 3.467 1.00 43.31 O ATOM 396 CB SER A 26 11.860 -14.710 2.456 1.00 21.24 C ATOM 397 OG SER A 26 11.845 -14.384 1.078 1.00 55.15 O ATOM 0 H SER A 26 11.806 -12.024 1.829 1.00 24.23 H new ATOM 0 HA SER A 26 11.730 -13.637 4.313 1.00 3.15 H new ATOM 0 HB2 SER A 26 12.627 -15.461 2.647 1.00 21.24 H new ATOM 0 HB3 SER A 26 10.904 -15.152 2.739 1.00 21.24 H new ATOM 0 HG SER A 26 11.674 -15.193 0.552 1.00 55.15 H new ATOM 403 N GLY A 27 14.019 -11.959 3.465 1.00 32.15 N ATOM 404 CA GLY A 27 15.425 -11.616 3.570 1.00 51.25 C ATOM 405 C GLY A 27 15.728 -10.238 3.014 1.00 20.23 C ATOM 406 O GLY A 27 16.470 -10.103 2.042 1.00 21.10 O ATOM 0 H GLY A 27 13.385 -11.161 3.429 1.00 32.15 H new ATOM 0 HA2 GLY A 27 15.729 -11.657 4.616 1.00 51.25 H new ATOM 0 HA3 GLY A 27 16.018 -12.359 3.036 1.00 51.25 H new ATOM 410 N ALA A 28 15.151 -9.213 3.632 1.00 1.23 N ATOM 411 CA ALA A 28 15.364 -7.839 3.194 1.00 11.02 C ATOM 412 C ALA A 28 16.785 -7.379 3.501 1.00 50.21 C ATOM 413 O ALA A 28 17.031 -6.724 4.514 1.00 54.12 O ATOM 414 CB ALA A 28 14.353 -6.912 3.853 1.00 21.34 C ATOM 0 H ALA A 28 14.532 -9.308 4.437 1.00 1.23 H new ATOM 0 HA ALA A 28 15.224 -7.802 2.114 1.00 11.02 H new ATOM 0 HB1 ALA A 28 14.524 -5.889 3.517 1.00 21.34 H new ATOM 0 HB2 ALA A 28 13.344 -7.220 3.579 1.00 21.34 H new ATOM 0 HB3 ALA A 28 14.466 -6.962 4.936 1.00 21.34 H new ATOM 420 N SER A 29 17.718 -7.726 2.620 1.00 73.31 N ATOM 421 CA SER A 29 19.116 -7.353 2.799 1.00 13.53 C ATOM 422 C SER A 29 19.422 -6.038 2.088 1.00 10.24 C ATOM 423 O SER A 29 20.520 -5.493 2.212 1.00 53.33 O ATOM 424 CB SER A 29 20.033 -8.457 2.270 1.00 32.04 C ATOM 425 OG SER A 29 19.854 -9.660 2.998 1.00 71.14 O ATOM 0 H SER A 29 17.531 -8.265 1.775 1.00 73.31 H new ATOM 0 HA SER A 29 19.297 -7.221 3.866 1.00 13.53 H new ATOM 0 HB2 SER A 29 19.825 -8.632 1.215 1.00 32.04 H new ATOM 0 HB3 SER A 29 21.072 -8.136 2.341 1.00 32.04 H new ATOM 0 HG SER A 29 20.450 -10.351 2.640 1.00 71.14 H new ATOM 431 N LEU A 30 18.444 -5.533 1.344 1.00 61.50 N ATOM 432 CA LEU A 30 18.607 -4.282 0.612 1.00 22.12 C ATOM 433 C LEU A 30 18.981 -3.144 1.556 1.00 1.13 C ATOM 434 O LEU A 30 19.121 -3.344 2.762 1.00 33.30 O ATOM 435 CB LEU A 30 17.320 -3.936 -0.138 1.00 50.41 C ATOM 436 CG LEU A 30 17.351 -4.138 -1.653 1.00 41.34 C ATOM 437 CD1 LEU A 30 18.389 -3.228 -2.292 1.00 61.00 C ATOM 438 CD2 LEU A 30 17.635 -5.594 -1.991 1.00 43.05 C ATOM 0 H LEU A 30 17.530 -5.971 1.232 1.00 61.50 H new ATOM 0 HA LEU A 30 19.415 -4.413 -0.108 1.00 22.12 H new ATOM 0 HB2 LEU A 30 16.511 -4.540 0.272 1.00 50.41 H new ATOM 0 HB3 LEU A 30 17.074 -2.894 0.064 1.00 50.41 H new ATOM 0 HG LEU A 30 16.372 -3.877 -2.055 1.00 41.34 H new ATOM 0 HD11 LEU A 30 18.397 -3.386 -3.370 1.00 61.00 H new ATOM 0 HD12 LEU A 30 18.141 -2.188 -2.079 1.00 61.00 H new ATOM 0 HD13 LEU A 30 19.374 -3.457 -1.885 1.00 61.00 H new ATOM 0 HD21 LEU A 30 17.653 -5.719 -3.074 1.00 43.05 H new ATOM 0 HD22 LEU A 30 18.601 -5.882 -1.576 1.00 43.05 H new ATOM 0 HD23 LEU A 30 16.855 -6.225 -1.566 1.00 43.05 H new ATOM 450 N GLY A 31 19.140 -1.947 0.999 1.00 60.22 N ATOM 451 CA GLY A 31 19.494 -0.794 1.806 1.00 60.13 C ATOM 452 C GLY A 31 20.106 0.323 0.984 1.00 54.03 C ATOM 453 O GLY A 31 20.086 1.486 1.389 1.00 31.31 O ATOM 0 H GLY A 31 19.030 -1.755 0.003 1.00 60.22 H new ATOM 0 HA2 GLY A 31 18.604 -0.422 2.313 1.00 60.13 H new ATOM 0 HA3 GLY A 31 20.198 -1.099 2.580 1.00 60.13 H new ATOM 457 N THR A 32 20.653 -0.029 -0.176 1.00 1.33 N ATOM 458 CA THR A 32 21.276 0.952 -1.056 1.00 10.05 C ATOM 459 C THR A 32 20.495 1.098 -2.357 1.00 21.24 C ATOM 460 O THR A 32 20.436 2.181 -2.938 1.00 33.12 O ATOM 461 CB THR A 32 22.731 0.568 -1.384 1.00 2.22 C ATOM 462 OG1 THR A 32 23.502 0.495 -0.179 1.00 42.33 O ATOM 463 CG2 THR A 32 23.357 1.580 -2.332 1.00 30.20 C ATOM 0 H THR A 32 20.677 -0.986 -0.528 1.00 1.33 H new ATOM 0 HA THR A 32 21.270 1.903 -0.524 1.00 10.05 H new ATOM 0 HB THR A 32 22.725 -0.407 -1.871 1.00 2.22 H new ATOM 0 HG1 THR A 32 24.425 0.249 -0.396 1.00 42.33 H new ATOM 0 HG21 THR A 32 24.384 1.288 -2.549 1.00 30.20 H new ATOM 0 HG22 THR A 32 22.785 1.612 -3.259 1.00 30.20 H new ATOM 0 HG23 THR A 32 23.351 2.566 -1.868 1.00 30.20 H new ATOM 471 N ALA A 33 19.897 0.000 -2.808 1.00 53.52 N ATOM 472 CA ALA A 33 19.117 0.007 -4.040 1.00 12.44 C ATOM 473 C ALA A 33 17.653 0.333 -3.761 1.00 4.32 C ATOM 474 O ALA A 33 16.943 0.837 -4.631 1.00 14.24 O ATOM 475 CB ALA A 33 19.235 -1.334 -4.747 1.00 22.50 C ATOM 0 H ALA A 33 19.938 -0.905 -2.339 1.00 53.52 H new ATOM 0 HA ALA A 33 19.518 0.785 -4.690 1.00 12.44 H new ATOM 0 HB1 ALA A 33 18.648 -1.314 -5.665 1.00 22.50 H new ATOM 0 HB2 ALA A 33 20.280 -1.527 -4.989 1.00 22.50 H new ATOM 0 HB3 ALA A 33 18.862 -2.123 -4.095 1.00 22.50 H new ATOM 481 N PHE A 34 17.209 0.042 -2.543 1.00 31.12 N ATOM 482 CA PHE A 34 15.829 0.303 -2.150 1.00 71.40 C ATOM 483 C PHE A 34 15.531 1.799 -2.172 1.00 34.11 C ATOM 484 O PHE A 34 14.398 2.213 -2.416 1.00 12.20 O ATOM 485 CB PHE A 34 15.558 -0.263 -0.754 1.00 43.51 C ATOM 486 CG PHE A 34 14.135 -0.694 -0.548 1.00 35.41 C ATOM 487 CD1 PHE A 34 13.599 -1.737 -1.287 1.00 22.44 C ATOM 488 CD2 PHE A 34 13.332 -0.058 0.385 1.00 53.22 C ATOM 489 CE1 PHE A 34 12.289 -2.136 -1.099 1.00 63.13 C ATOM 490 CE2 PHE A 34 12.021 -0.453 0.577 1.00 40.52 C ATOM 491 CZ PHE A 34 11.500 -1.494 -0.166 1.00 14.24 C ATOM 0 H PHE A 34 17.784 -0.375 -1.811 1.00 31.12 H new ATOM 0 HA PHE A 34 15.173 -0.190 -2.868 1.00 71.40 H new ATOM 0 HB2 PHE A 34 16.216 -1.115 -0.582 1.00 43.51 H new ATOM 0 HB3 PHE A 34 15.812 0.491 -0.009 1.00 43.51 H new ATOM 0 HD1 PHE A 34 14.212 -2.244 -2.018 1.00 22.44 H new ATOM 0 HD2 PHE A 34 13.735 0.756 0.969 1.00 53.22 H new ATOM 0 HE1 PHE A 34 11.883 -2.950 -1.682 1.00 63.13 H new ATOM 0 HE2 PHE A 34 11.405 0.052 1.307 1.00 40.52 H new ATOM 0 HZ PHE A 34 10.477 -1.805 -0.017 1.00 14.24 H new ATOM 501 N ALA A 35 16.556 2.604 -1.914 1.00 52.33 N ATOM 502 CA ALA A 35 16.405 4.054 -1.906 1.00 12.13 C ATOM 503 C ALA A 35 16.359 4.610 -3.325 1.00 23.20 C ATOM 504 O ALA A 35 15.816 5.688 -3.562 1.00 42.32 O ATOM 505 CB ALA A 35 17.538 4.698 -1.121 1.00 1.02 C ATOM 0 H ALA A 35 17.500 2.277 -1.708 1.00 52.33 H new ATOM 0 HA ALA A 35 15.459 4.293 -1.420 1.00 12.13 H new ATOM 0 HB1 ALA A 35 17.413 5.781 -1.123 1.00 1.02 H new ATOM 0 HB2 ALA A 35 17.522 4.333 -0.094 1.00 1.02 H new ATOM 0 HB3 ALA A 35 18.492 4.442 -1.583 1.00 1.02 H new ATOM 511 N ALA A 36 16.934 3.867 -4.265 1.00 74.42 N ATOM 512 CA ALA A 36 16.957 4.285 -5.661 1.00 61.13 C ATOM 513 C ALA A 36 15.624 3.995 -6.344 1.00 4.34 C ATOM 514 O ALA A 36 15.331 4.539 -7.409 1.00 31.02 O ATOM 515 CB ALA A 36 18.092 3.592 -6.401 1.00 2.33 C ATOM 0 H ALA A 36 17.390 2.973 -4.085 1.00 74.42 H new ATOM 0 HA ALA A 36 17.123 5.362 -5.689 1.00 61.13 H new ATOM 0 HB1 ALA A 36 18.097 3.914 -7.442 1.00 2.33 H new ATOM 0 HB2 ALA A 36 19.043 3.853 -5.936 1.00 2.33 H new ATOM 0 HB3 ALA A 36 17.950 2.512 -6.355 1.00 2.33 H new ATOM 521 N ILE A 37 14.822 3.136 -5.724 1.00 43.11 N ATOM 522 CA ILE A 37 13.521 2.775 -6.272 1.00 52.33 C ATOM 523 C ILE A 37 12.396 3.504 -5.544 1.00 24.52 C ATOM 524 O ILE A 37 11.338 3.765 -6.116 1.00 75.35 O ATOM 525 CB ILE A 37 13.275 1.257 -6.186 1.00 53.40 C ATOM 526 CG1 ILE A 37 13.436 0.774 -4.743 1.00 74.13 C ATOM 527 CG2 ILE A 37 14.228 0.513 -7.109 1.00 54.03 C ATOM 528 CD1 ILE A 37 13.003 -0.661 -4.535 1.00 41.40 C ATOM 0 H ILE A 37 15.050 2.677 -4.842 1.00 43.11 H new ATOM 0 HA ILE A 37 13.526 3.075 -7.320 1.00 52.33 H new ATOM 0 HB ILE A 37 12.254 1.050 -6.507 1.00 53.40 H new ATOM 0 HG12 ILE A 37 14.480 0.876 -4.448 1.00 74.13 H new ATOM 0 HG13 ILE A 37 12.854 1.420 -4.085 1.00 74.13 H new ATOM 0 HG21 ILE A 37 14.042 -0.559 -7.037 1.00 54.03 H new ATOM 0 HG22 ILE A 37 14.069 0.841 -8.136 1.00 54.03 H new ATOM 0 HG23 ILE A 37 15.257 0.723 -6.816 1.00 54.03 H new ATOM 0 HD11 ILE A 37 13.145 -0.936 -3.490 1.00 41.40 H new ATOM 0 HD12 ILE A 37 11.950 -0.765 -4.798 1.00 41.40 H new ATOM 0 HD13 ILE A 37 13.602 -1.317 -5.167 1.00 41.40 H new ATOM 540 N LEU A 38 12.633 3.831 -4.278 1.00 65.34 N ATOM 541 CA LEU A 38 11.641 4.532 -3.471 1.00 23.55 C ATOM 542 C LEU A 38 11.928 6.029 -3.434 1.00 4.13 C ATOM 543 O LEU A 38 11.423 6.748 -2.573 1.00 35.43 O ATOM 544 CB LEU A 38 11.623 3.969 -2.048 1.00 44.01 C ATOM 545 CG LEU A 38 10.542 2.930 -1.751 1.00 20.41 C ATOM 546 CD1 LEU A 38 10.911 1.586 -2.361 1.00 54.33 C ATOM 547 CD2 LEU A 38 10.330 2.795 -0.250 1.00 55.31 C ATOM 0 H LEU A 38 13.503 3.622 -3.789 1.00 65.34 H new ATOM 0 HA LEU A 38 10.663 4.380 -3.928 1.00 23.55 H new ATOM 0 HB2 LEU A 38 12.595 3.521 -1.844 1.00 44.01 H new ATOM 0 HB3 LEU A 38 11.502 4.799 -1.352 1.00 44.01 H new ATOM 0 HG LEU A 38 9.608 3.267 -2.201 1.00 20.41 H new ATOM 0 HD11 LEU A 38 10.130 0.859 -2.139 1.00 54.33 H new ATOM 0 HD12 LEU A 38 11.012 1.692 -3.441 1.00 54.33 H new ATOM 0 HD13 LEU A 38 11.856 1.243 -1.940 1.00 54.33 H new ATOM 0 HD21 LEU A 38 9.557 2.051 -0.057 1.00 55.31 H new ATOM 0 HD22 LEU A 38 11.261 2.482 0.222 1.00 55.31 H new ATOM 0 HD23 LEU A 38 10.020 3.756 0.161 1.00 55.31 H new ATOM 559 N GLY A 39 12.743 6.494 -4.376 1.00 71.14 N ATOM 560 CA GLY A 39 13.081 7.904 -4.435 1.00 65.21 C ATOM 561 C GLY A 39 12.447 8.604 -5.621 1.00 20.53 C ATOM 562 O GLY A 39 12.440 9.832 -5.695 1.00 1.41 O ATOM 0 H GLY A 39 13.175 5.919 -5.099 1.00 71.14 H new ATOM 0 HA2 GLY A 39 12.758 8.391 -3.515 1.00 65.21 H new ATOM 0 HA3 GLY A 39 14.164 8.013 -4.490 1.00 65.21 H new ATOM 566 N VAL A 40 11.913 7.820 -6.552 1.00 64.24 N ATOM 567 CA VAL A 40 11.274 8.371 -7.741 1.00 41.50 C ATOM 568 C VAL A 40 9.898 8.940 -7.412 1.00 23.55 C ATOM 569 O VAL A 40 9.447 9.904 -8.031 1.00 23.13 O ATOM 570 CB VAL A 40 11.127 7.307 -8.844 1.00 60.15 C ATOM 571 CG1 VAL A 40 10.401 6.081 -8.311 1.00 3.32 C ATOM 572 CG2 VAL A 40 10.399 7.885 -10.049 1.00 4.44 C ATOM 0 H VAL A 40 11.910 6.801 -6.506 1.00 64.24 H new ATOM 0 HA VAL A 40 11.918 9.172 -8.103 1.00 41.50 H new ATOM 0 HB VAL A 40 12.123 7.000 -9.163 1.00 60.15 H new ATOM 0 HG11 VAL A 40 10.307 5.340 -9.105 1.00 3.32 H new ATOM 0 HG12 VAL A 40 10.967 5.655 -7.482 1.00 3.32 H new ATOM 0 HG13 VAL A 40 9.409 6.368 -7.963 1.00 3.32 H new ATOM 0 HG21 VAL A 40 10.304 7.119 -10.819 1.00 4.44 H new ATOM 0 HG22 VAL A 40 9.407 8.222 -9.748 1.00 4.44 H new ATOM 0 HG23 VAL A 40 10.964 8.729 -10.445 1.00 4.44 H new ATOM 582 N THR A 41 9.234 8.336 -6.431 1.00 20.31 N ATOM 583 CA THR A 41 7.909 8.780 -6.019 1.00 12.44 C ATOM 584 C THR A 41 7.766 8.749 -4.501 1.00 52.33 C ATOM 585 O THR A 41 7.194 9.661 -3.902 1.00 41.34 O ATOM 586 CB THR A 41 6.804 7.909 -6.645 1.00 13.10 C ATOM 587 OG1 THR A 41 5.536 8.233 -6.064 1.00 12.32 O ATOM 588 CG2 THR A 41 7.098 6.431 -6.439 1.00 64.13 C ATOM 0 H THR A 41 9.593 7.538 -5.907 1.00 20.31 H new ATOM 0 HA THR A 41 7.796 9.805 -6.371 1.00 12.44 H new ATOM 0 HB THR A 41 6.775 8.112 -7.716 1.00 13.10 H new ATOM 0 HG1 THR A 41 4.839 7.676 -6.469 1.00 12.32 H new ATOM 0 HG21 THR A 41 6.304 5.836 -6.890 1.00 64.13 H new ATOM 0 HG22 THR A 41 8.050 6.181 -6.908 1.00 64.13 H new ATOM 0 HG23 THR A 41 7.152 6.216 -5.372 1.00 64.13 H new ATOM 596 N LEU A 42 8.289 7.696 -3.884 1.00 73.40 N ATOM 597 CA LEU A 42 8.220 7.546 -2.434 1.00 40.15 C ATOM 598 C LEU A 42 9.190 8.498 -1.742 1.00 40.22 C ATOM 599 O LEU A 42 10.142 8.998 -2.342 1.00 22.21 O ATOM 600 CB LEU A 42 8.532 6.103 -2.036 1.00 22.34 C ATOM 601 CG LEU A 42 7.341 5.145 -1.993 1.00 14.52 C ATOM 602 CD1 LEU A 42 7.196 4.414 -3.318 1.00 55.13 C ATOM 603 CD2 LEU A 42 7.494 4.154 -0.848 1.00 53.15 C ATOM 0 H LEU A 42 8.766 6.933 -4.365 1.00 73.40 H new ATOM 0 HA LEU A 42 7.207 7.793 -2.115 1.00 40.15 H new ATOM 0 HB2 LEU A 42 9.267 5.705 -2.736 1.00 22.34 H new ATOM 0 HB3 LEU A 42 9.001 6.112 -1.052 1.00 22.34 H new ATOM 0 HG LEU A 42 6.436 5.728 -1.823 1.00 14.52 H new ATOM 0 HD11 LEU A 42 6.343 3.737 -3.269 1.00 55.13 H new ATOM 0 HD12 LEU A 42 7.039 5.138 -4.118 1.00 55.13 H new ATOM 0 HD13 LEU A 42 8.102 3.842 -3.519 1.00 55.13 H new ATOM 0 HD21 LEU A 42 6.637 3.480 -0.833 1.00 53.15 H new ATOM 0 HD22 LEU A 42 8.408 3.576 -0.987 1.00 53.15 H new ATOM 0 HD23 LEU A 42 7.547 4.695 0.097 1.00 53.15 H new ATOM 615 N PRO A 43 8.946 8.755 -0.449 1.00 31.34 N ATOM 616 CA PRO A 43 9.788 9.646 0.354 1.00 3.14 C ATOM 617 C PRO A 43 11.164 9.050 0.631 1.00 22.11 C ATOM 618 O PRO A 43 11.530 8.020 0.066 1.00 72.13 O ATOM 619 CB PRO A 43 9.000 9.800 1.658 1.00 43.24 C ATOM 620 CG PRO A 43 8.170 8.566 1.746 1.00 2.45 C ATOM 621 CD PRO A 43 7.829 8.194 0.330 1.00 30.01 C ATOM 0 HA PRO A 43 9.984 10.589 -0.156 1.00 3.14 H new ATOM 0 HB2 PRO A 43 9.667 9.891 2.515 1.00 43.24 H new ATOM 0 HB3 PRO A 43 8.378 10.695 1.642 1.00 43.24 H new ATOM 0 HG2 PRO A 43 8.717 7.763 2.240 1.00 2.45 H new ATOM 0 HG3 PRO A 43 7.268 8.744 2.331 1.00 2.45 H new ATOM 0 HD2 PRO A 43 7.755 7.114 0.205 1.00 30.01 H new ATOM 0 HD3 PRO A 43 6.873 8.617 0.023 1.00 30.01 H new ATOM 629 N ALA A 44 11.923 9.704 1.505 1.00 53.03 N ATOM 630 CA ALA A 44 13.257 9.237 1.858 1.00 63.40 C ATOM 631 C ALA A 44 13.264 8.588 3.238 1.00 24.00 C ATOM 632 O ALA A 44 14.076 7.705 3.515 1.00 71.43 O ATOM 633 CB ALA A 44 14.250 10.389 1.809 1.00 21.41 C ATOM 0 H ALA A 44 11.636 10.559 1.981 1.00 53.03 H new ATOM 0 HA ALA A 44 13.556 8.483 1.129 1.00 63.40 H new ATOM 0 HB1 ALA A 44 15.243 10.025 2.075 1.00 21.41 H new ATOM 0 HB2 ALA A 44 14.274 10.806 0.802 1.00 21.41 H new ATOM 0 HB3 ALA A 44 13.946 11.162 2.515 1.00 21.41 H new ATOM 639 N TRP A 45 12.357 9.032 4.100 1.00 53.13 N ATOM 640 CA TRP A 45 12.259 8.495 5.452 1.00 25.51 C ATOM 641 C TRP A 45 11.746 7.059 5.432 1.00 50.14 C ATOM 642 O TRP A 45 12.078 6.259 6.306 1.00 14.21 O ATOM 643 CB TRP A 45 11.337 9.367 6.305 1.00 40.22 C ATOM 644 CG TRP A 45 9.909 9.341 5.851 1.00 13.35 C ATOM 645 CD1 TRP A 45 9.289 10.250 5.042 1.00 0.44 C ATOM 646 CD2 TRP A 45 8.922 8.358 6.183 1.00 0.32 C ATOM 647 NE1 TRP A 45 7.976 9.892 4.851 1.00 24.31 N ATOM 648 CE2 TRP A 45 7.727 8.734 5.540 1.00 53.24 C ATOM 649 CE3 TRP A 45 8.932 7.196 6.959 1.00 3.33 C ATOM 650 CZ2 TRP A 45 6.556 7.989 5.651 1.00 54.30 C ATOM 651 CZ3 TRP A 45 7.769 6.458 7.069 1.00 2.31 C ATOM 652 CH2 TRP A 45 6.594 6.856 6.417 1.00 3.33 C ATOM 0 H TRP A 45 11.678 9.763 3.887 1.00 53.13 H new ATOM 0 HA TRP A 45 13.257 8.498 5.890 1.00 25.51 H new ATOM 0 HB2 TRP A 45 11.388 9.032 7.341 1.00 40.22 H new ATOM 0 HB3 TRP A 45 11.699 10.395 6.284 1.00 40.22 H new ATOM 0 HD1 TRP A 45 9.761 11.122 4.615 1.00 0.44 H new ATOM 0 HE1 TRP A 45 7.297 10.405 4.288 1.00 24.31 H new ATOM 0 HE3 TRP A 45 9.833 6.880 7.464 1.00 3.33 H new ATOM 0 HZ2 TRP A 45 5.649 8.295 5.150 1.00 54.30 H new ATOM 0 HZ3 TRP A 45 7.765 5.559 7.668 1.00 2.31 H new ATOM 0 HH2 TRP A 45 5.701 6.257 6.521 1.00 3.33 H new ATOM 663 N ALA A 46 10.935 6.739 4.428 1.00 4.32 N ATOM 664 CA ALA A 46 10.378 5.399 4.294 1.00 43.15 C ATOM 665 C ALA A 46 11.474 4.340 4.360 1.00 15.14 C ATOM 666 O ALA A 46 11.238 3.216 4.805 1.00 71.31 O ATOM 667 CB ALA A 46 9.603 5.278 2.990 1.00 45.23 C ATOM 0 H ALA A 46 10.650 7.390 3.696 1.00 4.32 H new ATOM 0 HA ALA A 46 9.695 5.231 5.127 1.00 43.15 H new ATOM 0 HB1 ALA A 46 9.192 4.272 2.903 1.00 45.23 H new ATOM 0 HB2 ALA A 46 8.790 6.004 2.981 1.00 45.23 H new ATOM 0 HB3 ALA A 46 10.271 5.471 2.151 1.00 45.23 H new ATOM 673 N LEU A 47 12.671 4.705 3.916 1.00 51.41 N ATOM 674 CA LEU A 47 13.803 3.786 3.925 1.00 65.13 C ATOM 675 C LEU A 47 14.141 3.352 5.347 1.00 23.34 C ATOM 676 O LEU A 47 14.463 2.189 5.592 1.00 12.43 O ATOM 677 CB LEU A 47 15.024 4.442 3.276 1.00 14.23 C ATOM 678 CG LEU A 47 14.776 5.150 1.944 1.00 61.14 C ATOM 679 CD1 LEU A 47 16.042 5.844 1.465 1.00 54.22 C ATOM 680 CD2 LEU A 47 14.280 4.161 0.899 1.00 41.13 C ATOM 0 H LEU A 47 12.883 5.631 3.545 1.00 51.41 H new ATOM 0 HA LEU A 47 13.525 2.902 3.351 1.00 65.13 H new ATOM 0 HB2 LEU A 47 15.439 5.166 3.978 1.00 14.23 H new ATOM 0 HB3 LEU A 47 15.784 3.676 3.122 1.00 14.23 H new ATOM 0 HG LEU A 47 14.006 5.907 2.094 1.00 61.14 H new ATOM 0 HD11 LEU A 47 15.847 6.343 0.516 1.00 54.22 H new ATOM 0 HD12 LEU A 47 16.355 6.581 2.204 1.00 54.22 H new ATOM 0 HD13 LEU A 47 16.833 5.106 1.331 1.00 54.22 H new ATOM 0 HD21 LEU A 47 14.109 4.682 -0.043 1.00 41.13 H new ATOM 0 HD22 LEU A 47 15.028 3.382 0.752 1.00 41.13 H new ATOM 0 HD23 LEU A 47 13.348 3.710 1.239 1.00 41.13 H new ATOM 692 N ALA A 48 14.064 4.293 6.282 1.00 1.40 N ATOM 693 CA ALA A 48 14.357 4.007 7.681 1.00 45.22 C ATOM 694 C ALA A 48 13.374 2.990 8.251 1.00 4.40 C ATOM 695 O ALA A 48 13.707 2.237 9.165 1.00 33.14 O ATOM 696 CB ALA A 48 14.328 5.289 8.499 1.00 12.44 C ATOM 0 H ALA A 48 13.801 5.261 6.096 1.00 1.40 H new ATOM 0 HA ALA A 48 15.357 3.577 7.737 1.00 45.22 H new ATOM 0 HB1 ALA A 48 14.548 5.060 9.542 1.00 12.44 H new ATOM 0 HB2 ALA A 48 15.075 5.983 8.114 1.00 12.44 H new ATOM 0 HB3 ALA A 48 13.340 5.743 8.428 1.00 12.44 H new ATOM 702 N ALA A 49 12.163 2.976 7.705 1.00 34.44 N ATOM 703 CA ALA A 49 11.132 2.050 8.159 1.00 12.33 C ATOM 704 C ALA A 49 11.249 0.706 7.448 1.00 13.44 C ATOM 705 O ALA A 49 10.804 -0.319 7.963 1.00 70.33 O ATOM 706 CB ALA A 49 9.751 2.649 7.937 1.00 34.32 C ATOM 0 H ALA A 49 11.871 3.595 6.948 1.00 34.44 H new ATOM 0 HA ALA A 49 11.275 1.880 9.226 1.00 12.33 H new ATOM 0 HB1 ALA A 49 8.991 1.947 8.280 1.00 34.32 H new ATOM 0 HB2 ALA A 49 9.664 3.580 8.496 1.00 34.32 H new ATOM 0 HB3 ALA A 49 9.607 2.849 6.875 1.00 34.32 H new ATOM 712 N ALA A 50 11.849 0.720 6.263 1.00 63.41 N ATOM 713 CA ALA A 50 12.026 -0.499 5.482 1.00 15.42 C ATOM 714 C ALA A 50 12.676 -1.596 6.317 1.00 23.30 C ATOM 715 O ALA A 50 12.434 -2.782 6.098 1.00 34.43 O ATOM 716 CB ALA A 50 12.857 -0.214 4.240 1.00 5.14 C ATOM 0 H ALA A 50 12.221 1.561 5.822 1.00 63.41 H new ATOM 0 HA ALA A 50 11.041 -0.850 5.173 1.00 15.42 H new ATOM 0 HB1 ALA A 50 12.981 -1.133 3.667 1.00 5.14 H new ATOM 0 HB2 ALA A 50 12.351 0.531 3.626 1.00 5.14 H new ATOM 0 HB3 ALA A 50 13.836 0.164 4.536 1.00 5.14 H new ATOM 722 N GLY A 51 13.505 -1.192 7.275 1.00 63.31 N ATOM 723 CA GLY A 51 14.179 -2.154 8.127 1.00 32.44 C ATOM 724 C GLY A 51 13.218 -3.140 8.761 1.00 34.33 C ATOM 725 O GLY A 51 13.592 -4.271 9.072 1.00 42.44 O ATOM 0 H GLY A 51 13.722 -0.216 7.476 1.00 63.31 H new ATOM 0 HA2 GLY A 51 14.919 -2.699 7.540 1.00 32.44 H new ATOM 0 HA3 GLY A 51 14.721 -1.624 8.911 1.00 32.44 H new ATOM 729 N ALA A 52 11.975 -2.711 8.956 1.00 71.04 N ATOM 730 CA ALA A 52 10.957 -3.564 9.556 1.00 22.25 C ATOM 731 C ALA A 52 9.612 -3.387 8.861 1.00 13.21 C ATOM 732 O ALA A 52 9.494 -2.626 7.899 1.00 32.43 O ATOM 733 CB ALA A 52 10.829 -3.266 11.043 1.00 53.11 C ATOM 0 H ALA A 52 11.649 -1.777 8.707 1.00 71.04 H new ATOM 0 HA ALA A 52 11.267 -4.601 9.430 1.00 22.25 H new ATOM 0 HB1 ALA A 52 10.065 -3.910 11.479 1.00 53.11 H new ATOM 0 HB2 ALA A 52 11.784 -3.452 11.535 1.00 53.11 H new ATOM 0 HB3 ALA A 52 10.546 -2.223 11.182 1.00 53.11 H new ATOM 739 N LEU A 53 8.600 -4.093 9.352 1.00 34.15 N ATOM 740 CA LEU A 53 7.261 -4.014 8.778 1.00 61.15 C ATOM 741 C LEU A 53 6.802 -2.564 8.665 1.00 54.00 C ATOM 742 O LEU A 53 6.735 -1.844 9.660 1.00 32.24 O ATOM 743 CB LEU A 53 6.271 -4.810 9.629 1.00 30.24 C ATOM 744 CG LEU A 53 4.988 -5.256 8.927 1.00 62.22 C ATOM 745 CD1 LEU A 53 4.471 -6.552 9.531 1.00 24.44 C ATOM 746 CD2 LEU A 53 3.929 -4.167 9.010 1.00 75.25 C ATOM 0 H LEU A 53 8.681 -4.727 10.147 1.00 34.15 H new ATOM 0 HA LEU A 53 7.296 -4.444 7.777 1.00 61.15 H new ATOM 0 HB2 LEU A 53 6.780 -5.696 10.009 1.00 30.24 H new ATOM 0 HB3 LEU A 53 5.997 -4.205 10.493 1.00 30.24 H new ATOM 0 HG LEU A 53 5.215 -5.435 7.876 1.00 62.22 H new ATOM 0 HD11 LEU A 53 3.558 -6.853 9.018 1.00 24.44 H new ATOM 0 HD12 LEU A 53 5.224 -7.332 9.419 1.00 24.44 H new ATOM 0 HD13 LEU A 53 4.260 -6.401 10.590 1.00 24.44 H new ATOM 0 HD21 LEU A 53 3.023 -4.502 8.505 1.00 75.25 H new ATOM 0 HD22 LEU A 53 3.705 -3.956 10.056 1.00 75.25 H new ATOM 0 HD23 LEU A 53 4.299 -3.262 8.529 1.00 75.25 H new ATOM 758 N GLY A 54 6.483 -2.142 7.445 1.00 64.22 N ATOM 759 CA GLY A 54 6.032 -0.781 7.225 1.00 51.32 C ATOM 760 C GLY A 54 4.869 -0.705 6.256 1.00 73.02 C ATOM 761 O GLY A 54 3.731 -0.465 6.659 1.00 60.12 O ATOM 0 H GLY A 54 6.529 -2.719 6.605 1.00 64.22 H new ATOM 0 HA2 GLY A 54 5.737 -0.341 8.177 1.00 51.32 H new ATOM 0 HA3 GLY A 54 6.860 -0.185 6.842 1.00 51.32 H new ATOM 765 N ALA A 55 5.154 -0.908 4.974 1.00 63.51 N ATOM 766 CA ALA A 55 4.123 -0.862 3.945 1.00 60.42 C ATOM 767 C ALA A 55 3.079 -1.951 4.165 1.00 35.32 C ATOM 768 O ALA A 55 3.303 -3.117 3.838 1.00 33.32 O ATOM 769 CB ALA A 55 4.748 -1.000 2.565 1.00 43.35 C ATOM 0 H ALA A 55 6.091 -1.106 4.623 1.00 63.51 H new ATOM 0 HA ALA A 55 3.622 0.104 4.011 1.00 60.42 H new ATOM 0 HB1 ALA A 55 3.966 -0.964 1.806 1.00 43.35 H new ATOM 0 HB2 ALA A 55 5.451 -0.183 2.401 1.00 43.35 H new ATOM 0 HB3 ALA A 55 5.275 -1.952 2.498 1.00 43.35 H new ATOM 775 N THR A 56 1.935 -1.564 4.723 1.00 63.42 N ATOM 776 CA THR A 56 0.857 -2.508 4.989 1.00 52.12 C ATOM 777 C THR A 56 0.099 -2.851 3.711 1.00 11.14 C ATOM 778 O THR A 56 -1.095 -2.578 3.595 1.00 53.12 O ATOM 779 CB THR A 56 -0.135 -1.949 6.026 1.00 31.35 C ATOM 780 OG1 THR A 56 -1.247 -2.840 6.171 1.00 64.41 O ATOM 781 CG2 THR A 56 -0.633 -0.573 5.613 1.00 42.41 C ATOM 0 H THR A 56 1.732 -0.603 4.999 1.00 63.42 H new ATOM 0 HA THR A 56 1.319 -3.411 5.388 1.00 52.12 H new ATOM 0 HB THR A 56 0.385 -1.858 6.980 1.00 31.35 H new ATOM 0 HG1 THR A 56 -1.707 -2.931 5.311 1.00 64.41 H new ATOM 0 HG21 THR A 56 -1.332 -0.199 6.361 1.00 42.41 H new ATOM 0 HG22 THR A 56 0.212 0.111 5.533 1.00 42.41 H new ATOM 0 HG23 THR A 56 -1.136 -0.643 4.649 1.00 42.41 H new ATOM 789 N ALA A 57 0.801 -3.451 2.756 1.00 75.43 N ATOM 790 CA ALA A 57 0.192 -3.834 1.488 1.00 64.25 C ATOM 791 C ALA A 57 -0.272 -2.608 0.709 1.00 32.02 C ATOM 792 O ALA A 57 -1.204 -2.686 -0.091 1.00 45.44 O ATOM 793 CB ALA A 57 -0.973 -4.783 1.726 1.00 22.11 C ATOM 0 H ALA A 57 1.791 -3.682 2.836 1.00 75.43 H new ATOM 0 HA ALA A 57 0.947 -4.347 0.892 1.00 64.25 H new ATOM 0 HB1 ALA A 57 -1.418 -5.060 0.770 1.00 22.11 H new ATOM 0 HB2 ALA A 57 -0.615 -5.679 2.233 1.00 22.11 H new ATOM 0 HB3 ALA A 57 -1.723 -4.291 2.346 1.00 22.11 H new ATOM 799 N ALA A 58 0.382 -1.477 0.950 1.00 3.23 N ATOM 800 CA ALA A 58 0.037 -0.234 0.271 1.00 73.53 C ATOM 801 C ALA A 58 0.645 -0.186 -1.127 1.00 15.10 C ATOM 802 O ALA A 58 -0.066 -0.013 -2.118 1.00 14.43 O ATOM 803 CB ALA A 58 0.498 0.961 1.091 1.00 55.53 C ATOM 0 H ALA A 58 1.155 -1.396 1.611 1.00 3.23 H new ATOM 0 HA ALA A 58 -1.047 -0.193 0.169 1.00 73.53 H new ATOM 0 HB1 ALA A 58 0.234 1.882 0.572 1.00 55.53 H new ATOM 0 HB2 ALA A 58 0.012 0.942 2.067 1.00 55.53 H new ATOM 0 HB3 ALA A 58 1.579 0.916 1.223 1.00 55.53 H new TER 809 ALA A 58