USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 774 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 Set 1.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc= -1.35 K(o=-1.4,f=-3.9!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -125:sc= 0.265 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 26 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.044) USER MOD Single : A 29 THR OG1 : rot -20:sc= 0.967 USER MOD Single : A 30 GLN : amide:sc= -2.68! C(o=-2.7!,f=-4.8!) USER MOD Single : A 31 THR OG1 : rot 57:sc= 0.0108 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -25:sc= 0.397 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.582 USER MOD Single : A 63 THR OG1 : rot 68:sc= 0.0223 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 77 HIS : no HE2:sc= -5.08 K(o=-5.1,f=-6.7!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -1.36 USER MOD Single : A 89 SER OG : rot -57:sc= 1.2 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 28:sc= 0.0285 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.878 -1.014 -0.066 1.00 73.22 N ATOM 2 CA PRO A 1 2.763 -0.757 -1.206 1.00 25.04 C ATOM 3 C PRO A 1 2.795 -1.921 -2.190 1.00 21.44 C ATOM 4 O PRO A 1 1.993 -2.851 -2.093 1.00 73.13 O ATOM 5 CB PRO A 1 4.136 -0.571 -0.553 1.00 54.22 C ATOM 6 CG PRO A 1 4.052 -1.327 0.727 1.00 21.34 C ATOM 7 CD PRO A 1 2.626 -1.206 1.188 1.00 53.03 C ATOM 0 H2 PRO A 1 1.316 -1.844 -0.255 1.00 73.22 H new ATOM 0 H3 PRO A 1 1.231 -0.233 0.042 1.00 73.22 H new ATOM 0 HA PRO A 1 2.434 0.101 -1.792 1.00 25.04 H new ATOM 0 HB2 PRO A 1 4.932 -0.957 -1.189 1.00 54.22 H new ATOM 0 HB3 PRO A 1 4.351 0.483 -0.377 1.00 54.22 H new ATOM 0 HG2 PRO A 1 4.328 -2.372 0.582 1.00 21.34 H new ATOM 0 HG3 PRO A 1 4.738 -0.916 1.468 1.00 21.34 H new ATOM 0 HD2 PRO A 1 2.298 -2.100 1.719 1.00 53.03 H new ATOM 0 HD3 PRO A 1 2.493 -0.365 1.868 1.00 53.03 H new ATOM 15 N LEU A 2 3.726 -1.865 -3.135 1.00 62.44 N ATOM 16 CA LEU A 2 3.863 -2.916 -4.138 1.00 32.52 C ATOM 17 C LEU A 2 5.283 -2.958 -4.693 1.00 31.31 C ATOM 18 O LEU A 2 6.078 -2.046 -4.464 1.00 63.21 O ATOM 19 CB LEU A 2 2.865 -2.696 -5.276 1.00 35.23 C ATOM 20 CG LEU A 2 1.970 -3.886 -5.623 1.00 72.44 C ATOM 21 CD1 LEU A 2 0.514 -3.453 -5.708 1.00 24.52 C ATOM 22 CD2 LEU A 2 2.415 -4.524 -6.931 1.00 61.24 C ATOM 0 H LEU A 2 4.398 -1.103 -3.228 1.00 62.44 H new ATOM 0 HA LEU A 2 3.652 -3.871 -3.658 1.00 32.52 H new ATOM 0 HB2 LEU A 2 2.227 -1.851 -5.015 1.00 35.23 H new ATOM 0 HB3 LEU A 2 3.420 -2.412 -6.170 1.00 35.23 H new ATOM 0 HG LEU A 2 2.061 -4.628 -4.830 1.00 72.44 H new ATOM 0 HD11 LEU A 2 -0.108 -4.313 -5.956 1.00 24.52 H new ATOM 0 HD12 LEU A 2 0.200 -3.043 -4.748 1.00 24.52 H new ATOM 0 HD13 LEU A 2 0.405 -2.692 -6.481 1.00 24.52 H new ATOM 0 HD21 LEU A 2 1.767 -5.369 -7.162 1.00 61.24 H new ATOM 0 HD22 LEU A 2 2.354 -3.789 -7.734 1.00 61.24 H new ATOM 0 HD23 LEU A 2 3.444 -4.871 -6.835 1.00 61.24 H new ATOM 34 N THR A 3 5.595 -4.022 -5.426 1.00 63.42 N ATOM 35 CA THR A 3 6.919 -4.183 -6.015 1.00 54.13 C ATOM 36 C THR A 3 6.825 -4.446 -7.514 1.00 1.41 C ATOM 37 O THR A 3 5.747 -4.724 -8.039 1.00 12.32 O ATOM 38 CB THR A 3 7.693 -5.337 -5.351 1.00 1.33 C ATOM 39 OG1 THR A 3 9.005 -5.436 -5.916 1.00 72.14 O ATOM 40 CG2 THR A 3 6.957 -6.656 -5.529 1.00 61.02 C ATOM 0 H THR A 3 4.949 -4.785 -5.626 1.00 63.42 H new ATOM 0 HA THR A 3 7.456 -3.250 -5.845 1.00 54.13 H new ATOM 0 HB THR A 3 7.772 -5.125 -4.285 1.00 1.33 H new ATOM 0 HG1 THR A 3 9.491 -6.171 -5.487 1.00 72.14 H new ATOM 0 HG21 THR A 3 7.523 -7.456 -5.052 1.00 61.02 H new ATOM 0 HG22 THR A 3 5.970 -6.587 -5.071 1.00 61.02 H new ATOM 0 HG23 THR A 3 6.849 -6.872 -6.592 1.00 61.02 H new ATOM 48 N ARG A 4 7.961 -4.356 -8.198 1.00 23.34 N ATOM 49 CA ARG A 4 8.007 -4.584 -9.637 1.00 32.01 C ATOM 50 C ARG A 4 7.276 -5.872 -10.007 1.00 2.40 C ATOM 51 O ARG A 4 7.156 -6.798 -9.206 1.00 21.44 O ATOM 52 CB ARG A 4 9.457 -4.652 -10.118 1.00 42.45 C ATOM 53 CG ARG A 4 10.218 -3.347 -9.944 1.00 62.52 C ATOM 54 CD ARG A 4 9.878 -2.353 -11.043 1.00 14.32 C ATOM 55 NE ARG A 4 10.238 -2.854 -12.366 1.00 61.12 N ATOM 56 CZ ARG A 4 11.487 -2.917 -12.813 1.00 64.20 C ATOM 57 NH1 ARG A 4 12.490 -2.513 -12.046 1.00 45.11 N ATOM 58 NH2 ARG A 4 11.735 -3.386 -14.029 1.00 44.04 N ATOM 0 H ARG A 4 8.862 -4.127 -7.778 1.00 23.34 H new ATOM 0 HA ARG A 4 7.507 -3.749 -10.128 1.00 32.01 H new ATOM 0 HB2 ARG A 4 9.975 -5.441 -9.573 1.00 42.45 H new ATOM 0 HB3 ARG A 4 9.469 -4.932 -11.171 1.00 42.45 H new ATOM 0 HG2 ARG A 4 9.980 -2.913 -8.973 1.00 62.52 H new ATOM 0 HG3 ARG A 4 11.290 -3.546 -9.951 1.00 62.52 H new ATOM 0 HD2 ARG A 4 8.810 -2.135 -11.016 1.00 14.32 H new ATOM 0 HD3 ARG A 4 10.400 -1.414 -10.857 1.00 14.32 H new ATOM 0 HE ARG A 4 9.489 -3.173 -12.981 1.00 61.12 H new ATOM 0 HH11 ARG A 4 12.303 -2.153 -11.110 1.00 45.11 H new ATOM 0 HH12 ARG A 4 13.448 -2.562 -12.392 1.00 45.11 H new ATOM 0 HH21 ARG A 4 10.966 -3.699 -14.622 1.00 44.04 H new ATOM 0 HH22 ARG A 4 12.695 -3.434 -14.371 1.00 44.04 H new ATOM 72 N PRO A 5 6.776 -5.932 -11.250 1.00 14.11 N ATOM 73 CA PRO A 5 6.048 -7.100 -11.755 1.00 24.35 C ATOM 74 C PRO A 5 6.959 -8.307 -11.957 1.00 52.44 C ATOM 75 O PRO A 5 6.649 -9.412 -11.513 1.00 31.23 O ATOM 76 CB PRO A 5 5.491 -6.619 -13.097 1.00 24.03 C ATOM 77 CG PRO A 5 6.417 -5.532 -13.523 1.00 31.20 C ATOM 78 CD PRO A 5 6.881 -4.864 -12.258 1.00 65.25 C ATOM 0 HA PRO A 5 5.281 -7.436 -11.057 1.00 24.35 H new ATOM 0 HB2 PRO A 5 5.466 -7.427 -13.828 1.00 24.03 H new ATOM 0 HB3 PRO A 5 4.470 -6.252 -12.993 1.00 24.03 H new ATOM 0 HG2 PRO A 5 7.260 -5.935 -14.083 1.00 31.20 H new ATOM 0 HG3 PRO A 5 5.911 -4.822 -14.176 1.00 31.20 H new ATOM 0 HD2 PRO A 5 7.903 -4.497 -12.349 1.00 65.25 H new ATOM 0 HD3 PRO A 5 6.256 -4.008 -12.003 1.00 65.25 H new ATOM 86 N TYR A 6 8.083 -8.087 -12.631 1.00 34.15 N ATOM 87 CA TYR A 6 9.037 -9.157 -12.894 1.00 24.22 C ATOM 88 C TYR A 6 10.037 -9.290 -11.749 1.00 14.34 C ATOM 89 O TYR A 6 10.326 -8.320 -11.046 1.00 64.21 O ATOM 90 CB TYR A 6 9.780 -8.896 -14.205 1.00 54.44 C ATOM 91 CG TYR A 6 9.199 -9.637 -15.388 1.00 71.21 C ATOM 92 CD1 TYR A 6 10.005 -10.419 -16.207 1.00 1.41 C ATOM 93 CD2 TYR A 6 7.845 -9.556 -15.688 1.00 33.05 C ATOM 94 CE1 TYR A 6 9.479 -11.097 -17.289 1.00 62.51 C ATOM 95 CE2 TYR A 6 7.310 -10.233 -16.767 1.00 11.44 C ATOM 96 CZ TYR A 6 8.131 -11.002 -17.564 1.00 41.25 C ATOM 97 OH TYR A 6 7.602 -11.676 -18.641 1.00 64.12 O ATOM 0 H TYR A 6 8.355 -7.178 -13.005 1.00 34.15 H new ATOM 0 HA TYR A 6 8.481 -10.091 -12.978 1.00 24.22 H new ATOM 0 HB2 TYR A 6 9.766 -7.826 -14.414 1.00 54.44 H new ATOM 0 HB3 TYR A 6 10.825 -9.183 -14.084 1.00 54.44 H new ATOM 0 HD1 TYR A 6 11.061 -10.498 -15.994 1.00 1.41 H new ATOM 0 HD2 TYR A 6 7.199 -8.953 -15.067 1.00 33.05 H new ATOM 0 HE1 TYR A 6 10.120 -11.698 -17.917 1.00 62.51 H new ATOM 0 HE2 TYR A 6 6.255 -10.160 -16.985 1.00 11.44 H new ATOM 0 HH TYR A 6 6.639 -11.504 -18.694 1.00 64.12 H new ATOM 107 N LEU A 7 10.561 -10.497 -11.567 1.00 11.44 N ATOM 108 CA LEU A 7 11.529 -10.758 -10.507 1.00 62.33 C ATOM 109 C LEU A 7 12.896 -11.102 -11.091 1.00 73.13 C ATOM 110 O LEU A 7 12.993 -11.789 -12.107 1.00 71.12 O ATOM 111 CB LEU A 7 11.042 -11.901 -9.614 1.00 55.43 C ATOM 112 CG LEU A 7 10.333 -13.054 -10.326 1.00 43.44 C ATOM 113 CD1 LEU A 7 10.695 -14.382 -9.681 1.00 21.31 C ATOM 114 CD2 LEU A 7 8.826 -12.844 -10.312 1.00 21.33 C ATOM 0 H LEU A 7 10.332 -11.310 -12.139 1.00 11.44 H new ATOM 0 HA LEU A 7 11.627 -9.853 -9.908 1.00 62.33 H new ATOM 0 HB2 LEU A 7 11.899 -12.305 -9.076 1.00 55.43 H new ATOM 0 HB3 LEU A 7 10.363 -11.488 -8.868 1.00 55.43 H new ATOM 0 HG LEU A 7 10.666 -13.075 -11.364 1.00 43.44 H new ATOM 0 HD11 LEU A 7 10.181 -15.191 -10.201 1.00 21.31 H new ATOM 0 HD12 LEU A 7 11.772 -14.536 -9.745 1.00 21.31 H new ATOM 0 HD13 LEU A 7 10.391 -14.373 -8.634 1.00 21.31 H new ATOM 0 HD21 LEU A 7 8.338 -13.674 -10.823 1.00 21.33 H new ATOM 0 HD22 LEU A 7 8.475 -12.796 -9.281 1.00 21.33 H new ATOM 0 HD23 LEU A 7 8.584 -11.911 -10.822 1.00 21.33 H new ATOM 126 N GLY A 8 13.950 -10.621 -10.440 1.00 43.51 N ATOM 127 CA GLY A 8 15.297 -10.889 -10.908 1.00 64.14 C ATOM 128 C GLY A 8 16.062 -11.809 -9.978 1.00 20.33 C ATOM 129 O GLY A 8 17.229 -11.564 -9.671 1.00 70.11 O ATOM 0 H GLY A 8 13.895 -10.050 -9.596 1.00 43.51 H new ATOM 0 HA2 GLY A 8 15.251 -11.337 -11.900 1.00 64.14 H new ATOM 0 HA3 GLY A 8 15.837 -9.948 -11.008 1.00 64.14 H new ATOM 133 N PHE A 9 15.403 -12.871 -9.525 1.00 43.00 N ATOM 134 CA PHE A 9 16.028 -13.830 -8.621 1.00 53.11 C ATOM 135 C PHE A 9 15.455 -15.229 -8.832 1.00 44.42 C ATOM 136 O PHE A 9 14.303 -15.385 -9.236 1.00 41.24 O ATOM 137 CB PHE A 9 15.826 -13.398 -7.167 1.00 61.21 C ATOM 138 CG PHE A 9 14.421 -13.594 -6.673 1.00 24.42 C ATOM 139 CD1 PHE A 9 14.102 -14.673 -5.863 1.00 51.44 C ATOM 140 CD2 PHE A 9 13.420 -12.701 -7.018 1.00 4.20 C ATOM 141 CE1 PHE A 9 12.810 -14.856 -5.406 1.00 44.15 C ATOM 142 CE2 PHE A 9 12.127 -12.879 -6.564 1.00 3.43 C ATOM 143 CZ PHE A 9 11.822 -13.958 -5.758 1.00 74.11 C ATOM 0 H PHE A 9 14.437 -13.089 -9.769 1.00 43.00 H new ATOM 0 HA PHE A 9 17.095 -13.857 -8.840 1.00 53.11 H new ATOM 0 HB2 PHE A 9 16.508 -13.962 -6.531 1.00 61.21 H new ATOM 0 HB3 PHE A 9 16.094 -12.346 -7.068 1.00 61.21 H new ATOM 0 HD1 PHE A 9 14.871 -15.378 -5.586 1.00 51.44 H new ATOM 0 HD2 PHE A 9 13.653 -11.856 -7.649 1.00 4.20 H new ATOM 0 HE1 PHE A 9 12.574 -15.700 -4.775 1.00 44.15 H new ATOM 0 HE2 PHE A 9 11.356 -12.175 -6.839 1.00 3.43 H new ATOM 0 HZ PHE A 9 10.812 -14.099 -5.403 1.00 74.11 H new ATOM 153 N ARG A 10 16.269 -16.242 -8.556 1.00 63.32 N ATOM 154 CA ARG A 10 15.846 -17.628 -8.717 1.00 53.13 C ATOM 155 C ARG A 10 15.777 -18.336 -7.367 1.00 43.03 C ATOM 156 O ARG A 10 16.472 -17.962 -6.422 1.00 61.14 O ATOM 157 CB ARG A 10 16.805 -18.372 -9.647 1.00 64.25 C ATOM 158 CG ARG A 10 18.167 -18.641 -9.029 1.00 23.34 C ATOM 159 CD ARG A 10 19.074 -19.399 -9.986 1.00 3.14 C ATOM 160 NE ARG A 10 20.487 -19.205 -9.670 1.00 50.33 N ATOM 161 CZ ARG A 10 21.183 -18.137 -10.044 1.00 3.10 C ATOM 162 NH1 ARG A 10 20.600 -17.172 -10.742 1.00 63.32 N ATOM 163 NH2 ARG A 10 22.465 -18.032 -9.719 1.00 24.43 N ATOM 0 H ARG A 10 17.225 -16.129 -8.220 1.00 63.32 H new ATOM 0 HA ARG A 10 14.850 -17.628 -9.159 1.00 53.13 H new ATOM 0 HB2 ARG A 10 16.353 -19.321 -9.937 1.00 64.25 H new ATOM 0 HB3 ARG A 10 16.938 -17.790 -10.559 1.00 64.25 H new ATOM 0 HG2 ARG A 10 18.636 -17.696 -8.754 1.00 23.34 H new ATOM 0 HG3 ARG A 10 18.044 -19.215 -8.111 1.00 23.34 H new ATOM 0 HD2 ARG A 10 18.836 -20.462 -9.946 1.00 3.14 H new ATOM 0 HD3 ARG A 10 18.882 -19.068 -11.007 1.00 3.14 H new ATOM 0 HE ARG A 10 20.965 -19.929 -9.133 1.00 50.33 H new ATOM 0 HH11 ARG A 10 19.614 -17.248 -10.993 1.00 63.32 H new ATOM 0 HH12 ARG A 10 21.137 -16.353 -11.028 1.00 63.32 H new ATOM 0 HH21 ARG A 10 22.917 -18.772 -9.182 1.00 24.43 H new ATOM 0 HH22 ARG A 10 22.999 -17.212 -10.007 1.00 24.43 H new ATOM 177 N VAL A 11 14.934 -19.360 -7.284 1.00 63.52 N ATOM 178 CA VAL A 11 14.775 -20.121 -6.051 1.00 22.43 C ATOM 179 C VAL A 11 14.766 -21.621 -6.327 1.00 41.42 C ATOM 180 O VAL A 11 14.251 -22.070 -7.350 1.00 71.33 O ATOM 181 CB VAL A 11 13.476 -19.738 -5.318 1.00 53.43 C ATOM 182 CG1 VAL A 11 12.261 -20.180 -6.119 1.00 55.12 C ATOM 183 CG2 VAL A 11 13.453 -20.342 -3.922 1.00 42.33 C ATOM 0 H VAL A 11 14.351 -19.682 -8.056 1.00 63.52 H new ATOM 0 HA VAL A 11 15.627 -19.876 -5.417 1.00 22.43 H new ATOM 0 HB VAL A 11 13.442 -18.653 -5.220 1.00 53.43 H new ATOM 0 HG11 VAL A 11 11.352 -19.901 -5.586 1.00 55.12 H new ATOM 0 HG12 VAL A 11 12.272 -19.695 -7.095 1.00 55.12 H new ATOM 0 HG13 VAL A 11 12.286 -21.262 -6.251 1.00 55.12 H new ATOM 0 HG21 VAL A 11 12.528 -20.061 -3.419 1.00 42.33 H new ATOM 0 HG22 VAL A 11 13.511 -21.428 -3.994 1.00 42.33 H new ATOM 0 HG23 VAL A 11 14.304 -19.971 -3.351 1.00 42.33 H new ATOM 193 N ALA A 12 15.339 -22.390 -5.407 1.00 44.25 N ATOM 194 CA ALA A 12 15.395 -23.839 -5.551 1.00 22.34 C ATOM 195 C ALA A 12 14.751 -24.534 -4.356 1.00 21.13 C ATOM 196 O ALA A 12 15.167 -24.340 -3.213 1.00 51.34 O ATOM 197 CB ALA A 12 16.836 -24.298 -5.717 1.00 23.23 C ATOM 0 H ALA A 12 15.771 -22.034 -4.554 1.00 44.25 H new ATOM 0 HA ALA A 12 14.833 -24.113 -6.444 1.00 22.34 H new ATOM 0 HB1 ALA A 12 16.862 -25.382 -5.823 1.00 23.23 H new ATOM 0 HB2 ALA A 12 17.265 -23.836 -6.606 1.00 23.23 H new ATOM 0 HB3 ALA A 12 17.414 -24.005 -4.841 1.00 23.23 H new ATOM 203 N VAL A 13 13.733 -25.345 -4.627 1.00 11.35 N ATOM 204 CA VAL A 13 13.031 -26.069 -3.573 1.00 64.04 C ATOM 205 C VAL A 13 13.723 -27.391 -3.261 1.00 61.21 C ATOM 206 O VAL A 13 14.110 -28.130 -4.165 1.00 63.13 O ATOM 207 CB VAL A 13 11.568 -26.348 -3.963 1.00 55.41 C ATOM 208 CG1 VAL A 13 11.502 -27.159 -5.248 1.00 20.31 C ATOM 209 CG2 VAL A 13 10.843 -27.063 -2.833 1.00 73.12 C ATOM 0 H VAL A 13 13.376 -25.517 -5.567 1.00 11.35 H new ATOM 0 HA VAL A 13 13.048 -25.435 -2.687 1.00 64.04 H new ATOM 0 HB VAL A 13 11.069 -25.395 -4.138 1.00 55.41 H new ATOM 0 HG11 VAL A 13 10.460 -27.346 -5.507 1.00 20.31 H new ATOM 0 HG12 VAL A 13 11.982 -26.604 -6.054 1.00 20.31 H new ATOM 0 HG13 VAL A 13 12.017 -28.109 -5.105 1.00 20.31 H new ATOM 0 HG21 VAL A 13 9.810 -27.252 -3.126 1.00 73.12 H new ATOM 0 HG22 VAL A 13 11.340 -28.010 -2.623 1.00 73.12 H new ATOM 0 HG23 VAL A 13 10.858 -26.440 -1.939 1.00 73.12 H new ATOM 219 N GLY A 14 13.875 -27.684 -1.973 1.00 11.21 N ATOM 220 CA GLY A 14 14.520 -28.918 -1.563 1.00 51.44 C ATOM 221 C GLY A 14 14.353 -29.195 -0.083 1.00 24.15 C ATOM 222 O GLY A 14 13.340 -28.830 0.514 1.00 5.32 O ATOM 0 H GLY A 14 13.563 -27.089 -1.206 1.00 11.21 H new ATOM 0 HA2 GLY A 14 14.105 -29.748 -2.134 1.00 51.44 H new ATOM 0 HA3 GLY A 14 15.582 -28.866 -1.802 1.00 51.44 H new ATOM 226 N ARG A 15 15.349 -29.845 0.512 1.00 50.42 N ATOM 227 CA ARG A 15 15.307 -30.174 1.932 1.00 53.55 C ATOM 228 C ARG A 15 16.620 -29.803 2.615 1.00 52.22 C ATOM 229 O ARG A 15 17.696 -29.958 2.038 1.00 25.24 O ATOM 230 CB ARG A 15 15.023 -31.664 2.123 1.00 31.51 C ATOM 231 CG ARG A 15 13.561 -32.035 1.934 1.00 21.44 C ATOM 232 CD ARG A 15 13.163 -32.004 0.467 1.00 3.40 C ATOM 233 NE ARG A 15 12.246 -33.088 0.125 1.00 42.50 N ATOM 234 CZ ARG A 15 11.731 -33.259 -1.087 1.00 62.44 C ATOM 235 NH1 ARG A 15 12.042 -32.423 -2.068 1.00 62.11 N ATOM 236 NH2 ARG A 15 10.904 -34.270 -1.321 1.00 15.12 N ATOM 0 H ARG A 15 16.195 -30.154 0.032 1.00 50.42 H new ATOM 0 HA ARG A 15 14.504 -29.597 2.390 1.00 53.55 H new ATOM 0 HB2 ARG A 15 15.628 -32.234 1.417 1.00 31.51 H new ATOM 0 HB3 ARG A 15 15.338 -31.960 3.124 1.00 31.51 H new ATOM 0 HG2 ARG A 15 13.382 -33.031 2.340 1.00 21.44 H new ATOM 0 HG3 ARG A 15 12.934 -31.344 2.497 1.00 21.44 H new ATOM 0 HD2 ARG A 15 12.694 -31.047 0.239 1.00 3.40 H new ATOM 0 HD3 ARG A 15 14.057 -32.076 -0.153 1.00 3.40 H new ATOM 0 HE ARG A 15 11.987 -33.750 0.857 1.00 42.50 H new ATOM 0 HH11 ARG A 15 12.679 -31.646 -1.893 1.00 62.11 H new ATOM 0 HH12 ARG A 15 11.645 -32.557 -2.998 1.00 62.11 H new ATOM 0 HH21 ARG A 15 10.663 -34.916 -0.570 1.00 15.12 H new ATOM 0 HH22 ARG A 15 10.509 -34.401 -2.252 1.00 15.12 H new ATOM 250 N ASP A 16 16.522 -29.312 3.845 1.00 2.13 N ATOM 251 CA ASP A 16 17.702 -28.919 4.608 1.00 72.44 C ATOM 252 C ASP A 16 18.105 -30.016 5.588 1.00 32.23 C ATOM 253 O ASP A 16 17.479 -31.075 5.642 1.00 0.25 O ATOM 254 CB ASP A 16 17.437 -27.615 5.362 1.00 21.50 C ATOM 255 CG ASP A 16 17.614 -26.392 4.484 1.00 63.40 C ATOM 256 OD1 ASP A 16 17.622 -25.268 5.027 1.00 11.42 O ATOM 257 OD2 ASP A 16 17.746 -26.560 3.254 1.00 43.23 O ATOM 0 H ASP A 16 15.638 -29.176 4.336 1.00 2.13 H new ATOM 0 HA ASP A 16 18.523 -28.764 3.908 1.00 72.44 H new ATOM 0 HB2 ASP A 16 16.422 -27.629 5.760 1.00 21.50 H new ATOM 0 HB3 ASP A 16 18.113 -27.548 6.214 1.00 21.50 H new ATOM 262 N SER A 17 19.154 -29.756 6.361 1.00 4.41 N ATOM 263 CA SER A 17 19.644 -30.722 7.337 1.00 62.54 C ATOM 264 C SER A 17 18.587 -31.004 8.400 1.00 4.14 C ATOM 265 O SER A 17 18.565 -32.079 9.000 1.00 2.31 O ATOM 266 CB SER A 17 20.925 -30.208 7.997 1.00 32.21 C ATOM 267 OG SER A 17 21.775 -31.281 8.366 1.00 53.44 O ATOM 0 H SER A 17 19.682 -28.884 6.330 1.00 4.41 H new ATOM 0 HA SER A 17 19.863 -31.652 6.812 1.00 62.54 H new ATOM 0 HB2 SER A 17 21.450 -29.544 7.311 1.00 32.21 H new ATOM 0 HB3 SER A 17 20.672 -29.620 8.879 1.00 32.21 H new ATOM 0 HG SER A 17 22.587 -30.926 8.784 1.00 53.44 H new ATOM 273 N SER A 18 17.713 -30.029 8.629 1.00 73.51 N ATOM 274 CA SER A 18 16.655 -30.169 9.623 1.00 71.42 C ATOM 275 C SER A 18 15.502 -31.005 9.075 1.00 53.42 C ATOM 276 O SER A 18 15.271 -32.130 9.515 1.00 24.00 O ATOM 277 CB SER A 18 16.144 -28.793 10.052 1.00 53.33 C ATOM 278 OG SER A 18 14.875 -28.891 10.676 1.00 62.44 O ATOM 0 H SER A 18 17.717 -29.134 8.140 1.00 73.51 H new ATOM 0 HA SER A 18 17.071 -30.681 10.491 1.00 71.42 H new ATOM 0 HB2 SER A 18 16.856 -28.335 10.739 1.00 53.33 H new ATOM 0 HB3 SER A 18 16.075 -28.140 9.182 1.00 53.33 H new ATOM 0 HG SER A 18 14.572 -27.998 10.942 1.00 62.44 H new ATOM 284 N GLY A 19 14.779 -30.444 8.110 1.00 40.52 N ATOM 285 CA GLY A 19 13.658 -31.149 7.517 1.00 62.22 C ATOM 286 C GLY A 19 12.340 -30.433 7.737 1.00 64.14 C ATOM 287 O GLY A 19 11.352 -31.048 8.139 1.00 11.43 O ATOM 0 H GLY A 19 14.950 -29.514 7.729 1.00 40.52 H new ATOM 0 HA2 GLY A 19 13.831 -31.265 6.447 1.00 62.22 H new ATOM 0 HA3 GLY A 19 13.598 -32.152 7.941 1.00 62.22 H new ATOM 291 N CYS A 20 12.326 -29.131 7.474 1.00 75.13 N ATOM 292 CA CYS A 20 11.119 -28.330 7.648 1.00 42.34 C ATOM 293 C CYS A 20 10.602 -27.827 6.304 1.00 72.22 C ATOM 294 O CYS A 20 9.719 -26.970 6.246 1.00 23.14 O ATOM 295 CB CYS A 20 11.398 -27.146 8.575 1.00 34.25 C ATOM 296 SG CYS A 20 10.622 -27.286 10.203 1.00 42.31 S ATOM 0 H CYS A 20 13.135 -28.608 7.140 1.00 75.13 H new ATOM 0 HA CYS A 20 10.354 -28.963 8.098 1.00 42.34 H new ATOM 0 HB2 CYS A 20 12.476 -27.046 8.705 1.00 34.25 H new ATOM 0 HB3 CYS A 20 11.049 -26.232 8.095 1.00 34.25 H new ATOM 0 HG CYS A 20 9.902 -26.228 10.433 1.00 42.31 H new ATOM 302 N THR A 21 11.158 -28.365 5.223 1.00 70.14 N ATOM 303 CA THR A 21 10.755 -27.970 3.879 1.00 43.21 C ATOM 304 C THR A 21 10.909 -26.466 3.679 1.00 73.41 C ATOM 305 O THR A 21 9.970 -25.701 3.899 1.00 13.34 O ATOM 306 CB THR A 21 9.296 -28.368 3.590 1.00 72.43 C ATOM 307 OG1 THR A 21 8.971 -29.576 4.287 1.00 75.35 O ATOM 308 CG2 THR A 21 9.073 -28.562 2.097 1.00 23.24 C ATOM 0 H THR A 21 11.889 -29.076 5.252 1.00 70.14 H new ATOM 0 HA THR A 21 11.411 -28.495 3.185 1.00 43.21 H new ATOM 0 HB THR A 21 8.648 -27.563 3.936 1.00 72.43 H new ATOM 0 HG1 THR A 21 8.041 -29.822 4.100 1.00 75.35 H new ATOM 0 HG21 THR A 21 8.035 -28.843 1.918 1.00 23.24 H new ATOM 0 HG22 THR A 21 9.293 -27.632 1.572 1.00 23.24 H new ATOM 0 HG23 THR A 21 9.731 -29.350 1.730 1.00 23.24 H new ATOM 316 N THR A 22 12.099 -26.048 3.259 1.00 72.21 N ATOM 317 CA THR A 22 12.375 -24.636 3.029 1.00 3.24 C ATOM 318 C THR A 22 13.135 -24.429 1.724 1.00 24.33 C ATOM 319 O THR A 22 13.788 -25.346 1.222 1.00 0.53 O ATOM 320 CB THR A 22 13.190 -24.028 4.187 1.00 41.34 C ATOM 321 OG1 THR A 22 13.715 -22.753 3.799 1.00 13.23 O ATOM 322 CG2 THR A 22 14.331 -24.950 4.588 1.00 31.35 C ATOM 0 H THR A 22 12.887 -26.668 3.071 1.00 72.21 H new ATOM 0 HA THR A 22 11.411 -24.131 2.968 1.00 3.24 H new ATOM 0 HB THR A 22 12.527 -23.903 5.043 1.00 41.34 H new ATOM 0 HG1 THR A 22 14.230 -22.372 4.540 1.00 13.23 H new ATOM 0 HG21 THR A 22 14.892 -24.500 5.407 1.00 31.35 H new ATOM 0 HG22 THR A 22 13.927 -25.910 4.910 1.00 31.35 H new ATOM 0 HG23 THR A 22 14.993 -25.102 3.735 1.00 31.35 H new ATOM 330 N LEU A 23 13.048 -23.221 1.179 1.00 31.20 N ATOM 331 CA LEU A 23 13.729 -22.894 -0.069 1.00 12.21 C ATOM 332 C LEU A 23 14.962 -22.034 0.193 1.00 74.43 C ATOM 333 O LEU A 23 15.079 -21.403 1.243 1.00 53.45 O ATOM 334 CB LEU A 23 12.776 -22.163 -1.017 1.00 33.55 C ATOM 335 CG LEU A 23 11.996 -23.044 -1.994 1.00 45.45 C ATOM 336 CD1 LEU A 23 11.289 -24.168 -1.254 1.00 3.12 C ATOM 337 CD2 LEU A 23 10.997 -22.210 -2.782 1.00 54.32 C ATOM 0 H LEU A 23 12.513 -22.452 1.581 1.00 31.20 H new ATOM 0 HA LEU A 23 14.050 -23.826 -0.534 1.00 12.21 H new ATOM 0 HB2 LEU A 23 12.062 -21.598 -0.418 1.00 33.55 H new ATOM 0 HB3 LEU A 23 13.352 -21.439 -1.592 1.00 33.55 H new ATOM 0 HG LEU A 23 12.702 -23.488 -2.695 1.00 45.45 H new ATOM 0 HD11 LEU A 23 10.740 -24.784 -1.966 1.00 3.12 H new ATOM 0 HD12 LEU A 23 12.025 -24.782 -0.736 1.00 3.12 H new ATOM 0 HD13 LEU A 23 10.594 -23.745 -0.528 1.00 3.12 H new ATOM 0 HD21 LEU A 23 10.451 -22.853 -3.472 1.00 54.32 H new ATOM 0 HD22 LEU A 23 10.296 -21.737 -2.095 1.00 54.32 H new ATOM 0 HD23 LEU A 23 11.528 -21.442 -3.344 1.00 54.32 H new ATOM 349 N SER A 24 15.878 -22.014 -0.770 1.00 73.32 N ATOM 350 CA SER A 24 17.103 -21.234 -0.643 1.00 53.55 C ATOM 351 C SER A 24 17.195 -20.184 -1.747 1.00 70.54 C ATOM 352 O SER A 24 16.783 -20.425 -2.883 1.00 14.44 O ATOM 353 CB SER A 24 18.325 -22.152 -0.694 1.00 4.24 C ATOM 354 OG SER A 24 19.066 -22.081 0.513 1.00 70.25 O ATOM 0 H SER A 24 15.795 -22.529 -1.646 1.00 73.32 H new ATOM 0 HA SER A 24 17.081 -20.723 0.320 1.00 53.55 H new ATOM 0 HB2 SER A 24 18.005 -23.179 -0.868 1.00 4.24 H new ATOM 0 HB3 SER A 24 18.961 -21.870 -1.533 1.00 4.24 H new ATOM 0 HG SER A 24 19.841 -22.678 0.457 1.00 70.25 H new ATOM 360 N ILE A 25 17.739 -19.021 -1.406 1.00 34.35 N ATOM 361 CA ILE A 25 17.886 -17.936 -2.367 1.00 2.31 C ATOM 362 C ILE A 25 19.250 -17.985 -3.047 1.00 61.51 C ATOM 363 O ILE A 25 20.275 -18.170 -2.391 1.00 73.21 O ATOM 364 CB ILE A 25 17.710 -16.561 -1.695 1.00 70.02 C ATOM 365 CG1 ILE A 25 17.471 -15.480 -2.751 1.00 43.13 C ATOM 366 CG2 ILE A 25 18.930 -16.224 -0.851 1.00 14.04 C ATOM 367 CD1 ILE A 25 16.015 -15.308 -3.122 1.00 33.05 C ATOM 0 H ILE A 25 18.085 -18.806 -0.471 1.00 34.35 H new ATOM 0 HA ILE A 25 17.104 -18.069 -3.115 1.00 2.31 H new ATOM 0 HB ILE A 25 16.840 -16.602 -1.040 1.00 70.02 H new ATOM 0 HG12 ILE A 25 17.858 -14.530 -2.381 1.00 43.13 H new ATOM 0 HG13 ILE A 25 18.039 -15.728 -3.648 1.00 43.13 H new ATOM 0 HG21 ILE A 25 18.791 -15.250 -0.383 1.00 14.04 H new ATOM 0 HG22 ILE A 25 19.059 -16.983 -0.079 1.00 14.04 H new ATOM 0 HG23 ILE A 25 19.816 -16.198 -1.486 1.00 14.04 H new ATOM 0 HD11 ILE A 25 15.921 -14.525 -3.875 1.00 33.05 H new ATOM 0 HD12 ILE A 25 15.628 -16.245 -3.523 1.00 33.05 H new ATOM 0 HD13 ILE A 25 15.444 -15.029 -2.236 1.00 33.05 H new ATOM 379 N GLN A 26 19.254 -17.818 -4.366 1.00 2.44 N ATOM 380 CA GLN A 26 20.493 -17.842 -5.134 1.00 72.35 C ATOM 381 C GLN A 26 20.864 -16.443 -5.614 1.00 1.13 C ATOM 382 O GLN A 26 22.019 -16.176 -5.944 1.00 21.34 O ATOM 383 CB GLN A 26 20.356 -18.785 -6.332 1.00 10.44 C ATOM 384 CG GLN A 26 20.628 -20.242 -5.993 1.00 52.53 C ATOM 385 CD GLN A 26 19.390 -21.109 -6.111 1.00 0.21 C ATOM 386 OE1 GLN A 26 18.556 -21.147 -5.206 1.00 2.35 O ATOM 387 NE2 GLN A 26 19.263 -21.812 -7.230 1.00 44.33 N ATOM 0 H GLN A 26 18.414 -17.665 -4.924 1.00 2.44 H new ATOM 0 HA GLN A 26 21.288 -18.205 -4.482 1.00 72.35 H new ATOM 0 HB2 GLN A 26 19.349 -18.697 -6.740 1.00 10.44 H new ATOM 0 HB3 GLN A 26 21.045 -18.468 -7.114 1.00 10.44 H new ATOM 0 HG2 GLN A 26 21.402 -20.627 -6.657 1.00 52.53 H new ATOM 0 HG3 GLN A 26 21.018 -20.308 -4.977 1.00 52.53 H new ATOM 0 HE21 GLN A 26 19.978 -21.751 -7.955 1.00 44.33 H new ATOM 0 HE22 GLN A 26 18.450 -22.413 -7.365 1.00 44.33 H new ATOM 396 N GLU A 27 19.877 -15.553 -5.649 1.00 73.54 N ATOM 397 CA GLU A 27 20.101 -14.182 -6.090 1.00 12.42 C ATOM 398 C GLU A 27 19.564 -13.187 -5.065 1.00 1.42 C ATOM 399 O GLU A 27 19.204 -13.561 -3.949 1.00 22.13 O ATOM 400 CB GLU A 27 19.434 -13.943 -7.446 1.00 44.43 C ATOM 401 CG GLU A 27 19.806 -14.975 -8.497 1.00 44.35 C ATOM 402 CD GLU A 27 20.589 -14.377 -9.651 1.00 21.14 C ATOM 403 OE1 GLU A 27 21.795 -14.105 -9.470 1.00 55.54 O ATOM 404 OE2 GLU A 27 19.997 -14.182 -10.732 1.00 52.23 O ATOM 0 H GLU A 27 18.915 -15.757 -5.377 1.00 73.54 H new ATOM 0 HA GLU A 27 21.176 -14.031 -6.190 1.00 12.42 H new ATOM 0 HB2 GLU A 27 18.352 -13.944 -7.315 1.00 44.43 H new ATOM 0 HB3 GLU A 27 19.710 -12.952 -7.808 1.00 44.43 H new ATOM 0 HG2 GLU A 27 20.397 -15.764 -8.032 1.00 44.35 H new ATOM 0 HG3 GLU A 27 18.898 -15.440 -8.881 1.00 44.35 H new ATOM 411 N VAL A 28 19.514 -11.916 -5.452 1.00 50.12 N ATOM 412 CA VAL A 28 19.021 -10.866 -4.568 1.00 62.24 C ATOM 413 C VAL A 28 17.917 -10.057 -5.239 1.00 11.20 C ATOM 414 O VAL A 28 18.041 -9.655 -6.396 1.00 41.34 O ATOM 415 CB VAL A 28 20.154 -9.914 -4.142 1.00 41.32 C ATOM 416 CG1 VAL A 28 20.920 -10.489 -2.961 1.00 30.51 C ATOM 417 CG2 VAL A 28 21.088 -9.640 -5.312 1.00 31.35 C ATOM 0 H VAL A 28 19.809 -11.589 -6.372 1.00 50.12 H new ATOM 0 HA VAL A 28 18.619 -11.359 -3.683 1.00 62.24 H new ATOM 0 HB VAL A 28 19.712 -8.968 -3.831 1.00 41.32 H new ATOM 0 HG11 VAL A 28 21.716 -9.802 -2.675 1.00 30.51 H new ATOM 0 HG12 VAL A 28 20.241 -10.628 -2.120 1.00 30.51 H new ATOM 0 HG13 VAL A 28 21.353 -11.450 -3.241 1.00 30.51 H new ATOM 0 HG21 VAL A 28 21.883 -8.966 -4.993 1.00 31.35 H new ATOM 0 HG22 VAL A 28 21.524 -10.578 -5.657 1.00 31.35 H new ATOM 0 HG23 VAL A 28 20.527 -9.180 -6.126 1.00 31.35 H new ATOM 427 N THR A 29 16.835 -9.820 -4.504 1.00 34.00 N ATOM 428 CA THR A 29 15.707 -9.059 -5.027 1.00 20.00 C ATOM 429 C THR A 29 15.437 -7.823 -4.177 1.00 53.43 C ATOM 430 O THR A 29 14.477 -7.091 -4.419 1.00 3.21 O ATOM 431 CB THR A 29 14.429 -9.917 -5.086 1.00 1.03 C ATOM 432 OG1 THR A 29 13.342 -9.141 -5.602 1.00 33.51 O ATOM 433 CG2 THR A 29 14.070 -10.448 -3.706 1.00 70.02 C ATOM 0 H THR A 29 16.716 -10.144 -3.544 1.00 34.00 H new ATOM 0 HA THR A 29 15.975 -8.751 -6.037 1.00 20.00 H new ATOM 0 HB THR A 29 14.616 -10.764 -5.746 1.00 1.03 H new ATOM 0 HG1 THR A 29 13.547 -8.187 -5.506 1.00 33.51 H new ATOM 0 HG21 THR A 29 13.164 -11.051 -3.772 1.00 70.02 H new ATOM 0 HG22 THR A 29 14.888 -11.062 -3.328 1.00 70.02 H new ATOM 0 HG23 THR A 29 13.900 -9.612 -3.027 1.00 70.02 H new ATOM 441 N GLN A 30 16.289 -7.596 -3.183 1.00 11.21 N ATOM 442 CA GLN A 30 16.141 -6.447 -2.298 1.00 14.25 C ATOM 443 C GLN A 30 16.806 -5.211 -2.894 1.00 3.24 C ATOM 444 O GLN A 30 16.897 -4.167 -2.246 1.00 20.42 O ATOM 445 CB GLN A 30 16.742 -6.753 -0.925 1.00 4.21 C ATOM 446 CG GLN A 30 15.822 -7.560 -0.024 1.00 24.53 C ATOM 447 CD GLN A 30 15.272 -8.796 -0.708 1.00 52.14 C ATOM 448 OE1 GLN A 30 14.098 -8.843 -1.079 1.00 25.50 O ATOM 449 NE2 GLN A 30 16.118 -9.804 -0.881 1.00 22.44 N ATOM 0 H GLN A 30 17.089 -8.192 -2.970 1.00 11.21 H new ATOM 0 HA GLN A 30 15.076 -6.244 -2.183 1.00 14.25 H new ATOM 0 HB2 GLN A 30 17.675 -7.299 -1.060 1.00 4.21 H new ATOM 0 HB3 GLN A 30 16.991 -5.815 -0.429 1.00 4.21 H new ATOM 0 HG2 GLN A 30 16.367 -7.857 0.872 1.00 24.53 H new ATOM 0 HG3 GLN A 30 14.994 -6.930 0.301 1.00 24.53 H new ATOM 0 HE21 GLN A 30 17.082 -9.722 -0.558 1.00 22.44 H new ATOM 0 HE22 GLN A 30 15.804 -10.661 -1.337 1.00 22.44 H new ATOM 458 N THR A 31 17.272 -5.335 -4.133 1.00 13.22 N ATOM 459 CA THR A 31 17.931 -4.229 -4.816 1.00 14.20 C ATOM 460 C THR A 31 17.020 -3.615 -5.873 1.00 41.02 C ATOM 461 O THR A 31 17.480 -2.897 -6.761 1.00 50.23 O ATOM 462 CB THR A 31 19.242 -4.683 -5.485 1.00 13.21 C ATOM 463 OG1 THR A 31 19.115 -6.033 -5.945 1.00 22.15 O ATOM 464 CG2 THR A 31 20.408 -4.579 -4.514 1.00 65.43 C ATOM 0 H THR A 31 17.205 -6.191 -4.684 1.00 13.22 H new ATOM 0 HA THR A 31 18.159 -3.480 -4.058 1.00 14.20 H new ATOM 0 HB THR A 31 19.438 -4.028 -6.334 1.00 13.21 H new ATOM 0 HG1 THR A 31 18.351 -6.100 -6.555 1.00 22.15 H new ATOM 0 HG21 THR A 31 21.323 -4.905 -5.008 1.00 65.43 H new ATOM 0 HG22 THR A 31 20.520 -3.545 -4.189 1.00 65.43 H new ATOM 0 HG23 THR A 31 20.218 -5.213 -3.648 1.00 65.43 H new ATOM 472 N TYR A 32 15.727 -3.901 -5.772 1.00 31.22 N ATOM 473 CA TYR A 32 14.752 -3.378 -6.721 1.00 74.21 C ATOM 474 C TYR A 32 13.670 -2.576 -6.004 1.00 40.45 C ATOM 475 O TYR A 32 13.347 -2.841 -4.846 1.00 2.21 O ATOM 476 CB TYR A 32 14.114 -4.522 -7.512 1.00 1.02 C ATOM 477 CG TYR A 32 15.048 -5.157 -8.517 1.00 71.31 C ATOM 478 CD1 TYR A 32 16.108 -5.954 -8.103 1.00 3.14 C ATOM 479 CD2 TYR A 32 14.871 -4.960 -9.881 1.00 34.41 C ATOM 480 CE1 TYR A 32 16.965 -6.536 -9.017 1.00 54.13 C ATOM 481 CE2 TYR A 32 15.721 -5.540 -10.803 1.00 12.33 C ATOM 482 CZ TYR A 32 16.766 -6.326 -10.366 1.00 64.31 C ATOM 483 OH TYR A 32 17.616 -6.904 -11.281 1.00 45.12 O ATOM 0 H TYR A 32 15.330 -4.492 -5.042 1.00 31.22 H new ATOM 0 HA TYR A 32 15.274 -2.715 -7.411 1.00 74.21 H new ATOM 0 HB2 TYR A 32 13.769 -5.286 -6.815 1.00 1.02 H new ATOM 0 HB3 TYR A 32 13.234 -4.146 -8.034 1.00 1.02 H new ATOM 0 HD1 TYR A 32 16.265 -6.122 -7.048 1.00 3.14 H new ATOM 0 HD2 TYR A 32 14.055 -4.343 -10.226 1.00 34.41 H new ATOM 0 HE1 TYR A 32 17.785 -7.151 -8.678 1.00 54.13 H new ATOM 0 HE2 TYR A 32 15.568 -5.379 -11.860 1.00 12.33 H new ATOM 0 HH TYR A 32 17.337 -6.658 -12.188 1.00 45.12 H new ATOM 493 N THR A 33 13.112 -1.592 -6.703 1.00 13.32 N ATOM 494 CA THR A 33 12.067 -0.749 -6.135 1.00 72.03 C ATOM 495 C THR A 33 11.272 -0.046 -7.230 1.00 5.21 C ATOM 496 O THR A 33 11.789 0.214 -8.316 1.00 31.30 O ATOM 497 CB THR A 33 12.654 0.309 -5.183 1.00 2.34 C ATOM 498 OG1 THR A 33 13.545 -0.312 -4.250 1.00 25.12 O ATOM 499 CG2 THR A 33 11.548 1.033 -4.430 1.00 1.13 C ATOM 0 H THR A 33 13.366 -1.359 -7.663 1.00 13.32 H new ATOM 0 HA THR A 33 11.403 -1.405 -5.572 1.00 72.03 H new ATOM 0 HB THR A 33 13.203 1.038 -5.780 1.00 2.34 H new ATOM 0 HG1 THR A 33 13.298 -1.254 -4.139 1.00 25.12 H new ATOM 0 HG21 THR A 33 11.987 1.775 -3.764 1.00 1.13 H new ATOM 0 HG22 THR A 33 10.888 1.529 -5.141 1.00 1.13 H new ATOM 0 HG23 THR A 33 10.975 0.314 -3.845 1.00 1.13 H new ATOM 507 N GLY A 34 10.012 0.261 -6.936 1.00 45.24 N ATOM 508 CA GLY A 34 9.167 0.932 -7.906 1.00 42.54 C ATOM 509 C GLY A 34 7.991 1.637 -7.261 1.00 14.21 C ATOM 510 O GLY A 34 7.596 2.721 -7.690 1.00 41.30 O ATOM 0 H GLY A 34 9.562 0.057 -6.044 1.00 45.24 H new ATOM 0 HA2 GLY A 34 9.762 1.658 -8.461 1.00 42.54 H new ATOM 0 HA3 GLY A 34 8.798 0.203 -8.628 1.00 42.54 H new ATOM 514 N SER A 35 7.427 1.020 -6.227 1.00 64.33 N ATOM 515 CA SER A 35 6.285 1.592 -5.525 1.00 0.13 C ATOM 516 C SER A 35 6.707 2.157 -4.171 1.00 73.55 C ATOM 517 O SER A 35 7.566 1.596 -3.494 1.00 25.34 O ATOM 518 CB SER A 35 5.196 0.535 -5.332 1.00 51.13 C ATOM 519 OG SER A 35 3.940 1.007 -5.790 1.00 5.23 O ATOM 0 H SER A 35 7.743 0.123 -5.857 1.00 64.33 H new ATOM 0 HA SER A 35 5.888 2.406 -6.131 1.00 0.13 H new ATOM 0 HB2 SER A 35 5.466 -0.373 -5.872 1.00 51.13 H new ATOM 0 HB3 SER A 35 5.126 0.269 -4.277 1.00 51.13 H new ATOM 0 HG SER A 35 3.261 0.313 -5.657 1.00 5.23 H new ATOM 525 N ASN A 36 6.094 3.271 -3.785 1.00 40.04 N ATOM 526 CA ASN A 36 6.405 3.913 -2.513 1.00 45.15 C ATOM 527 C ASN A 36 7.909 4.120 -2.362 1.00 65.14 C ATOM 528 O ASN A 36 8.437 4.131 -1.251 1.00 33.01 O ATOM 529 CB ASN A 36 5.876 3.072 -1.351 1.00 33.35 C ATOM 530 CG ASN A 36 4.382 3.239 -1.150 1.00 31.35 C ATOM 531 OD1 ASN A 36 3.580 2.779 -1.962 1.00 53.15 O ATOM 532 ND2 ASN A 36 4.002 3.900 -0.062 1.00 74.34 N ATOM 0 H ASN A 36 5.379 3.748 -4.335 1.00 40.04 H new ATOM 0 HA ASN A 36 5.918 4.888 -2.498 1.00 45.15 H new ATOM 0 HB2 ASN A 36 6.100 2.021 -1.535 1.00 33.35 H new ATOM 0 HB3 ASN A 36 6.397 3.353 -0.436 1.00 33.35 H new ATOM 0 HD21 ASN A 36 3.010 4.043 0.127 1.00 74.34 H new ATOM 0 HD22 ASN A 36 4.702 4.264 0.584 1.00 74.34 H new ATOM 539 N GLY A 37 8.595 4.284 -3.490 1.00 1.12 N ATOM 540 CA GLY A 37 10.032 4.489 -3.461 1.00 74.03 C ATOM 541 C GLY A 37 10.599 4.807 -4.830 1.00 62.44 C ATOM 542 O GLY A 37 11.244 5.837 -5.019 1.00 53.40 O ATOM 0 H GLY A 37 8.181 4.279 -4.422 1.00 1.12 H new ATOM 0 HA2 GLY A 37 10.266 5.304 -2.776 1.00 74.03 H new ATOM 0 HA3 GLY A 37 10.516 3.594 -3.069 1.00 74.03 H new ATOM 546 N GLY A 38 10.361 3.917 -5.789 1.00 53.05 N ATOM 547 CA GLY A 38 10.861 4.125 -7.136 1.00 4.24 C ATOM 548 C GLY A 38 12.345 4.435 -7.161 1.00 21.42 C ATOM 549 O GLY A 38 12.742 5.594 -7.272 1.00 62.04 O ATOM 0 H GLY A 38 9.831 3.056 -5.657 1.00 53.05 H new ATOM 0 HA2 GLY A 38 10.669 3.234 -7.733 1.00 4.24 H new ATOM 0 HA3 GLY A 38 10.314 4.945 -7.601 1.00 4.24 H new ATOM 553 N ALA A 39 13.167 3.395 -7.055 1.00 54.34 N ATOM 554 CA ALA A 39 14.615 3.562 -7.067 1.00 74.10 C ATOM 555 C ALA A 39 15.323 2.217 -6.948 1.00 31.33 C ATOM 556 O ALA A 39 15.867 1.882 -5.895 1.00 51.11 O ATOM 557 CB ALA A 39 15.048 4.490 -5.942 1.00 41.43 C ATOM 0 H ALA A 39 12.854 2.429 -6.960 1.00 54.34 H new ATOM 0 HA ALA A 39 14.897 4.009 -8.020 1.00 74.10 H new ATOM 0 HB1 ALA A 39 16.132 4.606 -5.963 1.00 41.43 H new ATOM 0 HB2 ALA A 39 14.576 5.464 -6.072 1.00 41.43 H new ATOM 0 HB3 ALA A 39 14.747 4.066 -4.984 1.00 41.43 H new ATOM 563 N ASP A 40 15.312 1.449 -8.032 1.00 12.40 N ATOM 564 CA ASP A 40 15.954 0.140 -8.049 1.00 12.12 C ATOM 565 C ASP A 40 17.473 0.280 -8.037 1.00 31.43 C ATOM 566 O ASP A 40 18.072 0.747 -9.006 1.00 71.34 O ATOM 567 CB ASP A 40 15.512 -0.653 -9.280 1.00 13.42 C ATOM 568 CG ASP A 40 15.818 0.072 -10.576 1.00 23.13 C ATOM 569 OD1 ASP A 40 15.138 1.077 -10.869 1.00 54.23 O ATOM 570 OD2 ASP A 40 16.739 -0.366 -11.296 1.00 44.21 O ATOM 0 H ASP A 40 14.865 1.711 -8.911 1.00 12.40 H new ATOM 0 HA ASP A 40 15.649 -0.398 -7.152 1.00 12.12 H new ATOM 0 HB2 ASP A 40 16.011 -1.622 -9.283 1.00 13.42 H new ATOM 0 HB3 ASP A 40 14.441 -0.846 -9.219 1.00 13.42 H new ATOM 575 N LEU A 41 18.090 -0.127 -6.933 1.00 64.22 N ATOM 576 CA LEU A 41 19.540 -0.047 -6.794 1.00 3.01 C ATOM 577 C LEU A 41 20.023 -0.897 -5.623 1.00 72.21 C ATOM 578 O LEU A 41 19.282 -1.731 -5.102 1.00 3.51 O ATOM 579 CB LEU A 41 19.974 1.407 -6.596 1.00 73.31 C ATOM 580 CG LEU A 41 21.240 1.836 -7.338 1.00 12.50 C ATOM 581 CD1 LEU A 41 20.891 2.403 -8.705 1.00 52.33 C ATOM 582 CD2 LEU A 41 22.018 2.856 -6.519 1.00 31.13 C ATOM 0 H LEU A 41 17.609 -0.515 -6.122 1.00 64.22 H new ATOM 0 HA LEU A 41 19.989 -0.433 -7.709 1.00 3.01 H new ATOM 0 HB2 LEU A 41 19.156 2.055 -6.909 1.00 73.31 H new ATOM 0 HB3 LEU A 41 20.126 1.578 -5.530 1.00 73.31 H new ATOM 0 HG LEU A 41 21.869 0.958 -7.481 1.00 12.50 H new ATOM 0 HD11 LEU A 41 21.804 2.703 -9.218 1.00 52.33 H new ATOM 0 HD12 LEU A 41 20.377 1.643 -9.294 1.00 52.33 H new ATOM 0 HD13 LEU A 41 20.241 3.270 -8.584 1.00 52.33 H new ATOM 0 HD21 LEU A 41 22.916 3.150 -7.062 1.00 31.13 H new ATOM 0 HD22 LEU A 41 21.396 3.734 -6.345 1.00 31.13 H new ATOM 0 HD23 LEU A 41 22.300 2.416 -5.563 1.00 31.13 H new ATOM 594 N MET A 42 21.268 -0.679 -5.214 1.00 22.04 N ATOM 595 CA MET A 42 21.848 -1.423 -4.102 1.00 21.24 C ATOM 596 C MET A 42 22.090 -0.510 -2.904 1.00 32.33 C ATOM 597 O MET A 42 22.948 0.370 -2.945 1.00 51.23 O ATOM 598 CB MET A 42 23.161 -2.081 -4.530 1.00 5.32 C ATOM 599 CG MET A 42 23.879 -2.798 -3.398 1.00 4.31 C ATOM 600 SD MET A 42 25.368 -1.933 -2.861 1.00 53.32 S ATOM 601 CE MET A 42 26.597 -3.220 -3.059 1.00 44.11 C ATOM 0 H MET A 42 21.895 0.007 -5.636 1.00 22.04 H new ATOM 0 HA MET A 42 21.140 -2.198 -3.808 1.00 21.24 H new ATOM 0 HB2 MET A 42 22.957 -2.794 -5.329 1.00 5.32 H new ATOM 0 HB3 MET A 42 23.822 -1.319 -4.943 1.00 5.32 H new ATOM 0 HG2 MET A 42 23.200 -2.904 -2.552 1.00 4.31 H new ATOM 0 HG3 MET A 42 24.145 -3.804 -3.721 1.00 4.31 H new ATOM 0 HE1 MET A 42 27.575 -2.838 -2.766 1.00 44.11 H new ATOM 0 HE2 MET A 42 26.337 -4.071 -2.430 1.00 44.11 H new ATOM 0 HE3 MET A 42 26.629 -3.536 -4.102 1.00 44.11 H new ATOM 611 N GLY A 43 21.327 -0.727 -1.837 1.00 14.34 N ATOM 612 CA GLY A 43 21.473 0.085 -0.643 1.00 4.04 C ATOM 613 C GLY A 43 20.787 -0.527 0.562 1.00 12.44 C ATOM 614 O GLY A 43 21.432 -0.964 1.516 1.00 72.15 O ATOM 0 H GLY A 43 20.610 -1.451 -1.778 1.00 14.34 H new ATOM 0 HA2 GLY A 43 22.533 0.218 -0.425 1.00 4.04 H new ATOM 0 HA3 GLY A 43 21.059 1.076 -0.828 1.00 4.04 H new ATOM 618 N PRO A 44 19.446 -0.561 0.530 1.00 24.32 N ATOM 619 CA PRO A 44 18.643 -1.121 1.621 1.00 14.41 C ATOM 620 C PRO A 44 18.777 -2.636 1.722 1.00 21.13 C ATOM 621 O PRO A 44 18.371 -3.240 2.715 1.00 52.14 O ATOM 622 CB PRO A 44 17.211 -0.735 1.241 1.00 51.04 C ATOM 623 CG PRO A 44 17.242 -0.579 -0.241 1.00 34.14 C ATOM 624 CD PRO A 44 18.612 -0.058 -0.574 1.00 2.22 C ATOM 0 HA PRO A 44 18.958 -0.743 2.594 1.00 14.41 H new ATOM 0 HB2 PRO A 44 16.500 -1.504 1.543 1.00 51.04 H new ATOM 0 HB3 PRO A 44 16.907 0.190 1.730 1.00 51.04 H new ATOM 0 HG2 PRO A 44 17.055 -1.531 -0.738 1.00 34.14 H new ATOM 0 HG3 PRO A 44 16.469 0.113 -0.577 1.00 34.14 H new ATOM 0 HD2 PRO A 44 18.958 -0.427 -1.539 1.00 2.22 H new ATOM 0 HD3 PRO A 44 18.626 1.031 -0.625 1.00 2.22 H new ATOM 632 N ALA A 45 19.350 -3.245 0.689 1.00 1.02 N ATOM 633 CA ALA A 45 19.540 -4.690 0.663 1.00 3.15 C ATOM 634 C ALA A 45 20.749 -5.100 1.498 1.00 12.54 C ATOM 635 O ALA A 45 20.727 -6.125 2.179 1.00 33.03 O ATOM 636 CB ALA A 45 19.697 -5.176 -0.770 1.00 22.13 C ATOM 0 H ALA A 45 19.691 -2.760 -0.141 1.00 1.02 H new ATOM 0 HA ALA A 45 18.656 -5.156 1.098 1.00 3.15 H new ATOM 0 HB1 ALA A 45 19.838 -6.257 -0.774 1.00 22.13 H new ATOM 0 HB2 ALA A 45 18.802 -4.925 -1.340 1.00 22.13 H new ATOM 0 HB3 ALA A 45 20.563 -4.695 -1.224 1.00 22.13 H new ATOM 642 N PHE A 46 21.803 -4.292 1.441 1.00 71.31 N ATOM 643 CA PHE A 46 23.022 -4.572 2.191 1.00 72.12 C ATOM 644 C PHE A 46 22.924 -4.025 3.612 1.00 50.32 C ATOM 645 O PHE A 46 23.712 -4.389 4.484 1.00 10.41 O ATOM 646 CB PHE A 46 24.233 -3.965 1.481 1.00 45.14 C ATOM 647 CG PHE A 46 25.037 -4.968 0.703 1.00 2.41 C ATOM 648 CD1 PHE A 46 24.432 -5.772 -0.249 1.00 41.22 C ATOM 649 CD2 PHE A 46 26.398 -5.106 0.925 1.00 71.31 C ATOM 650 CE1 PHE A 46 25.169 -6.695 -0.967 1.00 31.33 C ATOM 651 CE2 PHE A 46 27.140 -6.028 0.210 1.00 11.42 C ATOM 652 CZ PHE A 46 26.524 -6.824 -0.736 1.00 5.12 C ATOM 0 H PHE A 46 21.837 -3.439 0.883 1.00 71.31 H new ATOM 0 HA PHE A 46 23.146 -5.654 2.245 1.00 72.12 H new ATOM 0 HB2 PHE A 46 23.892 -3.181 0.805 1.00 45.14 H new ATOM 0 HB3 PHE A 46 24.877 -3.490 2.221 1.00 45.14 H new ATOM 0 HD1 PHE A 46 23.372 -5.677 -0.432 1.00 41.22 H new ATOM 0 HD2 PHE A 46 26.884 -4.487 1.664 1.00 71.31 H new ATOM 0 HE1 PHE A 46 24.685 -7.315 -1.708 1.00 31.33 H new ATOM 0 HE2 PHE A 46 28.200 -6.126 0.391 1.00 11.42 H new ATOM 0 HZ PHE A 46 27.101 -7.546 -1.294 1.00 5.12 H new ATOM 662 N ALA A 47 21.951 -3.147 3.836 1.00 61.52 N ATOM 663 CA ALA A 47 21.748 -2.551 5.150 1.00 5.50 C ATOM 664 C ALA A 47 21.360 -3.607 6.179 1.00 51.12 C ATOM 665 O ALA A 47 21.791 -3.554 7.330 1.00 1.21 O ATOM 666 CB ALA A 47 20.685 -1.465 5.078 1.00 1.32 C ATOM 0 H ALA A 47 21.291 -2.833 3.124 1.00 61.52 H new ATOM 0 HA ALA A 47 22.689 -2.102 5.467 1.00 5.50 H new ATOM 0 HB1 ALA A 47 20.543 -1.028 6.067 1.00 1.32 H new ATOM 0 HB2 ALA A 47 21.003 -0.690 4.381 1.00 1.32 H new ATOM 0 HB3 ALA A 47 19.745 -1.898 4.735 1.00 1.32 H new ATOM 672 N ALA A 48 20.542 -4.565 5.756 1.00 62.41 N ATOM 673 CA ALA A 48 20.097 -5.635 6.641 1.00 53.15 C ATOM 674 C ALA A 48 21.006 -6.854 6.529 1.00 2.25 C ATOM 675 O ALA A 48 21.071 -7.677 7.441 1.00 20.22 O ATOM 676 CB ALA A 48 18.658 -6.017 6.324 1.00 2.42 C ATOM 0 H ALA A 48 20.174 -4.622 4.806 1.00 62.41 H new ATOM 0 HA ALA A 48 20.148 -5.270 7.667 1.00 53.15 H new ATOM 0 HB1 ALA A 48 18.338 -6.817 6.992 1.00 2.42 H new ATOM 0 HB2 ALA A 48 18.013 -5.150 6.462 1.00 2.42 H new ATOM 0 HB3 ALA A 48 18.591 -6.359 5.291 1.00 2.42 H new ATOM 682 N GLY A 49 21.707 -6.963 5.405 1.00 63.10 N ATOM 683 CA GLY A 49 22.603 -8.085 5.195 1.00 21.44 C ATOM 684 C GLY A 49 22.007 -9.141 4.285 1.00 43.31 C ATOM 685 O GLY A 49 22.494 -10.271 4.230 1.00 42.22 O ATOM 0 H GLY A 49 21.670 -6.294 4.636 1.00 63.10 H new ATOM 0 HA2 GLY A 49 23.537 -7.724 4.765 1.00 21.44 H new ATOM 0 HA3 GLY A 49 22.848 -8.535 6.157 1.00 21.44 H new ATOM 689 N LEU A 50 20.950 -8.774 3.570 1.00 52.34 N ATOM 690 CA LEU A 50 20.285 -9.698 2.658 1.00 51.05 C ATOM 691 C LEU A 50 21.182 -10.030 1.469 1.00 33.23 C ATOM 692 O LEU A 50 21.457 -9.174 0.628 1.00 21.24 O ATOM 693 CB LEU A 50 18.967 -9.099 2.164 1.00 14.13 C ATOM 694 CG LEU A 50 18.106 -8.408 3.223 1.00 51.25 C ATOM 695 CD1 LEU A 50 17.894 -6.945 2.866 1.00 54.23 C ATOM 696 CD2 LEU A 50 16.770 -9.121 3.373 1.00 62.32 C ATOM 0 H LEU A 50 20.535 -7.843 3.604 1.00 52.34 H new ATOM 0 HA LEU A 50 20.077 -10.619 3.202 1.00 51.05 H new ATOM 0 HB2 LEU A 50 19.191 -8.377 1.379 1.00 14.13 H new ATOM 0 HB3 LEU A 50 18.378 -9.894 1.708 1.00 14.13 H new ATOM 0 HG LEU A 50 18.630 -8.456 4.178 1.00 51.25 H new ATOM 0 HD11 LEU A 50 17.279 -6.469 3.630 1.00 54.23 H new ATOM 0 HD12 LEU A 50 18.859 -6.441 2.810 1.00 54.23 H new ATOM 0 HD13 LEU A 50 17.392 -6.875 1.901 1.00 54.23 H new ATOM 0 HD21 LEU A 50 16.171 -8.616 4.130 1.00 62.32 H new ATOM 0 HD22 LEU A 50 16.240 -9.105 2.421 1.00 62.32 H new ATOM 0 HD23 LEU A 50 16.941 -10.154 3.675 1.00 62.32 H new ATOM 708 N ARG A 51 21.633 -11.279 1.406 1.00 55.33 N ATOM 709 CA ARG A 51 22.497 -11.724 0.320 1.00 63.42 C ATOM 710 C ARG A 51 22.136 -13.141 -0.117 1.00 33.02 C ATOM 711 O ARG A 51 21.244 -13.769 0.454 1.00 73.23 O ATOM 712 CB ARG A 51 23.964 -11.671 0.753 1.00 74.34 C ATOM 713 CG ARG A 51 24.846 -10.862 -0.184 1.00 21.03 C ATOM 714 CD ARG A 51 26.084 -11.643 -0.596 1.00 4.44 C ATOM 715 NE ARG A 51 27.282 -10.807 -0.597 1.00 64.34 N ATOM 716 CZ ARG A 51 27.859 -10.347 0.507 1.00 10.12 C ATOM 717 NH1 ARG A 51 27.350 -10.639 1.696 1.00 61.40 N ATOM 718 NH2 ARG A 51 28.947 -9.592 0.424 1.00 64.41 N ATOM 0 H ARG A 51 21.414 -12.000 2.094 1.00 55.33 H new ATOM 0 HA ARG A 51 22.350 -11.053 -0.526 1.00 63.42 H new ATOM 0 HB2 ARG A 51 24.024 -11.244 1.754 1.00 74.34 H new ATOM 0 HB3 ARG A 51 24.352 -12.687 0.817 1.00 74.34 H new ATOM 0 HG2 ARG A 51 24.277 -10.584 -1.072 1.00 21.03 H new ATOM 0 HG3 ARG A 51 25.145 -9.935 0.306 1.00 21.03 H new ATOM 0 HD2 ARG A 51 26.227 -12.481 0.086 1.00 4.44 H new ATOM 0 HD3 ARG A 51 25.934 -12.063 -1.591 1.00 4.44 H new ATOM 0 HE ARG A 51 27.698 -10.563 -1.496 1.00 64.34 H new ATOM 0 HH11 ARG A 51 26.513 -11.218 1.764 1.00 61.40 H new ATOM 0 HH12 ARG A 51 27.795 -10.284 2.542 1.00 61.40 H new ATOM 0 HH21 ARG A 51 29.341 -9.364 -0.489 1.00 64.41 H new ATOM 0 HH22 ARG A 51 29.389 -9.239 1.273 1.00 64.41 H new ATOM 732 N VAL A 52 22.834 -13.638 -1.133 1.00 21.13 N ATOM 733 CA VAL A 52 22.587 -14.980 -1.646 1.00 24.42 C ATOM 734 C VAL A 52 23.078 -16.042 -0.668 1.00 5.55 C ATOM 735 O VAL A 52 24.199 -15.967 -0.166 1.00 65.52 O ATOM 736 CB VAL A 52 23.274 -15.196 -3.007 1.00 45.14 C ATOM 737 CG1 VAL A 52 22.791 -14.168 -4.018 1.00 53.44 C ATOM 738 CG2 VAL A 52 24.787 -15.136 -2.856 1.00 31.22 C ATOM 0 H VAL A 52 23.575 -13.131 -1.617 1.00 21.13 H new ATOM 0 HA VAL A 52 21.509 -15.076 -1.772 1.00 24.42 H new ATOM 0 HB VAL A 52 23.007 -16.187 -3.375 1.00 45.14 H new ATOM 0 HG11 VAL A 52 23.287 -14.336 -4.974 1.00 53.44 H new ATOM 0 HG12 VAL A 52 21.713 -14.264 -4.147 1.00 53.44 H new ATOM 0 HG13 VAL A 52 23.026 -13.166 -3.659 1.00 53.44 H new ATOM 0 HG21 VAL A 52 25.256 -15.291 -3.828 1.00 31.22 H new ATOM 0 HG22 VAL A 52 25.075 -14.160 -2.465 1.00 31.22 H new ATOM 0 HG23 VAL A 52 25.115 -15.914 -2.167 1.00 31.22 H new ATOM 748 N GLY A 53 22.230 -17.030 -0.400 1.00 65.33 N ATOM 749 CA GLY A 53 22.596 -18.094 0.517 1.00 2.41 C ATOM 750 C GLY A 53 21.732 -18.107 1.763 1.00 63.44 C ATOM 751 O GLY A 53 21.697 -19.099 2.491 1.00 70.52 O ATOM 0 H GLY A 53 21.296 -17.113 -0.801 1.00 65.33 H new ATOM 0 HA2 GLY A 53 22.509 -19.054 0.008 1.00 2.41 H new ATOM 0 HA3 GLY A 53 23.641 -17.979 0.804 1.00 2.41 H new ATOM 755 N ASP A 54 21.035 -17.004 2.009 1.00 3.23 N ATOM 756 CA ASP A 54 20.168 -16.892 3.176 1.00 34.31 C ATOM 757 C ASP A 54 18.736 -17.287 2.828 1.00 13.32 C ATOM 758 O ASP A 54 18.149 -16.758 1.884 1.00 31.33 O ATOM 759 CB ASP A 54 20.198 -15.465 3.726 1.00 75.40 C ATOM 760 CG ASP A 54 21.040 -15.346 4.981 1.00 72.11 C ATOM 761 OD1 ASP A 54 20.595 -14.670 5.932 1.00 30.14 O ATOM 762 OD2 ASP A 54 22.143 -15.929 5.012 1.00 63.31 O ATOM 0 H ASP A 54 21.053 -16.174 1.416 1.00 3.23 H new ATOM 0 HA ASP A 54 20.539 -17.575 3.941 1.00 34.31 H new ATOM 0 HB2 ASP A 54 20.591 -14.793 2.963 1.00 75.40 H new ATOM 0 HB3 ASP A 54 19.180 -15.141 3.943 1.00 75.40 H new ATOM 767 N GLN A 55 18.181 -18.219 3.596 1.00 13.43 N ATOM 768 CA GLN A 55 16.818 -18.685 3.367 1.00 1.43 C ATOM 769 C GLN A 55 15.802 -17.675 3.892 1.00 62.14 C ATOM 770 O GLN A 55 15.862 -17.263 5.051 1.00 72.31 O ATOM 771 CB GLN A 55 16.601 -20.041 4.040 1.00 32.11 C ATOM 772 CG GLN A 55 17.621 -21.092 3.634 1.00 61.21 C ATOM 773 CD GLN A 55 17.197 -22.496 4.018 1.00 62.13 C ATOM 774 OE1 GLN A 55 16.883 -22.767 5.177 1.00 72.00 O ATOM 775 NE2 GLN A 55 17.186 -23.399 3.044 1.00 41.44 N ATOM 0 H GLN A 55 18.654 -18.666 4.382 1.00 13.43 H new ATOM 0 HA GLN A 55 16.673 -18.793 2.292 1.00 1.43 H new ATOM 0 HB2 GLN A 55 16.637 -19.910 5.122 1.00 32.11 H new ATOM 0 HB3 GLN A 55 15.602 -20.403 3.796 1.00 32.11 H new ATOM 0 HG2 GLN A 55 17.776 -21.045 2.556 1.00 61.21 H new ATOM 0 HG3 GLN A 55 18.578 -20.864 4.103 1.00 61.21 H new ATOM 0 HE21 GLN A 55 17.454 -23.131 2.097 1.00 41.44 H new ATOM 0 HE22 GLN A 55 16.910 -24.360 3.243 1.00 41.44 H new ATOM 784 N LEU A 56 14.871 -17.280 3.031 1.00 13.31 N ATOM 785 CA LEU A 56 13.841 -16.317 3.407 1.00 32.32 C ATOM 786 C LEU A 56 12.463 -16.972 3.422 1.00 22.04 C ATOM 787 O LEU A 56 11.920 -17.325 2.375 1.00 24.14 O ATOM 788 CB LEU A 56 13.844 -15.133 2.440 1.00 43.44 C ATOM 789 CG LEU A 56 15.218 -14.657 1.966 1.00 41.11 C ATOM 790 CD1 LEU A 56 15.459 -15.073 0.523 1.00 20.42 C ATOM 791 CD2 LEU A 56 15.340 -13.147 2.115 1.00 64.44 C ATOM 0 H LEU A 56 14.808 -17.611 2.068 1.00 13.31 H new ATOM 0 HA LEU A 56 14.064 -15.958 4.412 1.00 32.32 H new ATOM 0 HB2 LEU A 56 13.253 -15.403 1.565 1.00 43.44 H new ATOM 0 HB3 LEU A 56 13.337 -14.296 2.920 1.00 43.44 H new ATOM 0 HG LEU A 56 15.979 -15.127 2.590 1.00 41.11 H new ATOM 0 HD11 LEU A 56 16.441 -14.726 0.203 1.00 20.42 H new ATOM 0 HD12 LEU A 56 15.415 -16.159 0.445 1.00 20.42 H new ATOM 0 HD13 LEU A 56 14.693 -14.633 -0.115 1.00 20.42 H new ATOM 0 HD21 LEU A 56 16.324 -12.826 1.773 1.00 64.44 H new ATOM 0 HD22 LEU A 56 14.571 -12.659 1.517 1.00 64.44 H new ATOM 0 HD23 LEU A 56 15.213 -12.873 3.162 1.00 64.44 H new ATOM 803 N VAL A 57 11.902 -17.129 4.617 1.00 75.31 N ATOM 804 CA VAL A 57 10.586 -17.738 4.769 1.00 75.33 C ATOM 805 C VAL A 57 9.581 -16.742 5.338 1.00 25.40 C ATOM 806 O VAL A 57 8.428 -16.695 4.910 1.00 30.14 O ATOM 807 CB VAL A 57 10.642 -18.975 5.685 1.00 13.23 C ATOM 808 CG1 VAL A 57 11.400 -20.107 5.010 1.00 45.35 C ATOM 809 CG2 VAL A 57 11.277 -18.619 7.021 1.00 11.00 C ATOM 0 H VAL A 57 12.338 -16.843 5.493 1.00 75.31 H new ATOM 0 HA VAL A 57 10.264 -18.046 3.774 1.00 75.33 H new ATOM 0 HB VAL A 57 9.623 -19.314 5.871 1.00 13.23 H new ATOM 0 HG11 VAL A 57 11.429 -20.972 5.673 1.00 45.35 H new ATOM 0 HG12 VAL A 57 10.898 -20.378 4.081 1.00 45.35 H new ATOM 0 HG13 VAL A 57 12.418 -19.784 4.791 1.00 45.35 H new ATOM 0 HG21 VAL A 57 11.309 -19.504 7.656 1.00 11.00 H new ATOM 0 HG22 VAL A 57 12.291 -18.254 6.856 1.00 11.00 H new ATOM 0 HG23 VAL A 57 10.687 -17.843 7.509 1.00 11.00 H new ATOM 819 N ARG A 58 10.028 -15.947 6.305 1.00 61.41 N ATOM 820 CA ARG A 58 9.168 -14.952 6.934 1.00 64.11 C ATOM 821 C ARG A 58 7.863 -15.583 7.408 1.00 34.30 C ATOM 822 O ARG A 58 6.824 -14.924 7.458 1.00 41.24 O ATOM 823 CB ARG A 58 8.871 -13.813 5.957 1.00 64.12 C ATOM 824 CG ARG A 58 8.504 -12.505 6.639 1.00 23.52 C ATOM 825 CD ARG A 58 7.180 -11.962 6.125 1.00 4.54 C ATOM 826 NE ARG A 58 6.079 -12.247 7.041 1.00 60.11 N ATOM 827 CZ ARG A 58 4.799 -12.097 6.720 1.00 52.11 C ATOM 828 NH1 ARG A 58 4.461 -11.667 5.512 1.00 12.12 N ATOM 829 NH2 ARG A 58 3.854 -12.378 7.608 1.00 54.31 N ATOM 0 H ARG A 58 10.980 -15.973 6.670 1.00 61.41 H new ATOM 0 HA ARG A 58 9.693 -14.551 7.801 1.00 64.11 H new ATOM 0 HB2 ARG A 58 9.744 -13.651 5.325 1.00 64.12 H new ATOM 0 HB3 ARG A 58 8.054 -14.112 5.301 1.00 64.12 H new ATOM 0 HG2 ARG A 58 8.442 -12.660 7.716 1.00 23.52 H new ATOM 0 HG3 ARG A 58 9.291 -11.771 6.468 1.00 23.52 H new ATOM 0 HD2 ARG A 58 7.262 -10.885 5.980 1.00 4.54 H new ATOM 0 HD3 ARG A 58 6.963 -12.399 5.150 1.00 4.54 H new ATOM 0 HE ARG A 58 6.305 -12.579 7.978 1.00 60.11 H new ATOM 0 HH11 ARG A 58 5.185 -11.451 4.827 1.00 12.12 H new ATOM 0 HH12 ARG A 58 3.477 -11.553 5.268 1.00 12.12 H new ATOM 0 HH21 ARG A 58 4.110 -12.709 8.538 1.00 54.31 H new ATOM 0 HH22 ARG A 58 2.871 -12.263 7.361 1.00 54.31 H new ATOM 843 N PHE A 59 7.923 -16.865 7.755 1.00 14.30 N ATOM 844 CA PHE A 59 6.745 -17.586 8.224 1.00 51.23 C ATOM 845 C PHE A 59 7.091 -18.481 9.410 1.00 5.41 C ATOM 846 O PHE A 59 8.203 -18.999 9.506 1.00 22.41 O ATOM 847 CB PHE A 59 6.152 -18.428 7.092 1.00 42.53 C ATOM 848 CG PHE A 59 4.922 -19.190 7.493 1.00 71.13 C ATOM 849 CD1 PHE A 59 5.014 -20.504 7.921 1.00 24.44 C ATOM 850 CD2 PHE A 59 3.673 -18.593 7.440 1.00 12.24 C ATOM 851 CE1 PHE A 59 3.884 -21.209 8.292 1.00 43.05 C ATOM 852 CE2 PHE A 59 2.539 -19.292 7.810 1.00 63.14 C ATOM 853 CZ PHE A 59 2.645 -20.602 8.234 1.00 30.15 C ATOM 0 H PHE A 59 8.774 -17.426 7.720 1.00 14.30 H new ATOM 0 HA PHE A 59 6.007 -16.853 8.548 1.00 51.23 H new ATOM 0 HB2 PHE A 59 5.908 -17.775 6.254 1.00 42.53 H new ATOM 0 HB3 PHE A 59 6.906 -19.131 6.739 1.00 42.53 H new ATOM 0 HD1 PHE A 59 5.980 -20.984 7.965 1.00 24.44 H new ATOM 0 HD2 PHE A 59 3.584 -17.570 7.106 1.00 12.24 H new ATOM 0 HE1 PHE A 59 3.970 -22.232 8.626 1.00 43.05 H new ATOM 0 HE2 PHE A 59 1.571 -18.814 7.767 1.00 63.14 H new ATOM 0 HZ PHE A 59 1.760 -21.151 8.520 1.00 30.15 H new ATOM 863 N ALA A 60 6.131 -18.656 10.312 1.00 40.31 N ATOM 864 CA ALA A 60 6.333 -19.488 11.491 1.00 20.12 C ATOM 865 C ALA A 60 6.382 -20.966 11.118 1.00 1.13 C ATOM 866 O ALA A 60 5.368 -21.557 10.751 1.00 71.43 O ATOM 867 CB ALA A 60 5.232 -19.235 12.511 1.00 61.34 C ATOM 0 H ALA A 60 5.205 -18.232 10.248 1.00 40.31 H new ATOM 0 HA ALA A 60 7.292 -19.220 11.934 1.00 20.12 H new ATOM 0 HB1 ALA A 60 5.396 -19.863 13.387 1.00 61.34 H new ATOM 0 HB2 ALA A 60 5.246 -18.187 12.809 1.00 61.34 H new ATOM 0 HB3 ALA A 60 4.265 -19.474 12.069 1.00 61.34 H new ATOM 873 N GLY A 61 7.569 -21.557 11.215 1.00 43.02 N ATOM 874 CA GLY A 61 7.728 -22.961 10.883 1.00 1.21 C ATOM 875 C GLY A 61 8.944 -23.218 10.015 1.00 1.52 C ATOM 876 O GLY A 61 9.240 -24.362 9.672 1.00 74.34 O ATOM 0 H GLY A 61 8.423 -21.089 11.517 1.00 43.02 H new ATOM 0 HA2 GLY A 61 7.812 -23.541 11.802 1.00 1.21 H new ATOM 0 HA3 GLY A 61 6.835 -23.312 10.365 1.00 1.21 H new ATOM 880 N TYR A 62 9.650 -22.150 9.658 1.00 31.43 N ATOM 881 CA TYR A 62 10.838 -22.265 8.821 1.00 23.13 C ATOM 882 C TYR A 62 10.492 -22.870 7.464 1.00 25.01 C ATOM 883 O TYR A 62 11.249 -23.673 6.917 1.00 45.53 O ATOM 884 CB TYR A 62 11.898 -23.120 9.518 1.00 30.22 C ATOM 885 CG TYR A 62 11.902 -22.972 11.023 1.00 71.21 C ATOM 886 CD1 TYR A 62 11.942 -21.717 11.617 1.00 52.42 C ATOM 887 CD2 TYR A 62 11.867 -24.087 11.851 1.00 73.43 C ATOM 888 CE1 TYR A 62 11.946 -21.576 12.991 1.00 22.42 C ATOM 889 CE2 TYR A 62 11.869 -23.957 13.226 1.00 43.32 C ATOM 890 CZ TYR A 62 11.909 -22.699 13.791 1.00 24.23 C ATOM 891 OH TYR A 62 11.914 -22.565 15.161 1.00 54.22 O ATOM 0 H TYR A 62 9.420 -21.196 9.935 1.00 31.43 H new ATOM 0 HA TYR A 62 11.237 -21.263 8.661 1.00 23.13 H new ATOM 0 HB2 TYR A 62 11.732 -24.167 9.265 1.00 30.22 H new ATOM 0 HB3 TYR A 62 12.881 -22.851 9.132 1.00 30.22 H new ATOM 0 HD1 TYR A 62 11.970 -20.836 10.993 1.00 52.42 H new ATOM 0 HD2 TYR A 62 11.838 -25.073 11.412 1.00 73.43 H new ATOM 0 HE1 TYR A 62 11.978 -20.593 13.436 1.00 22.42 H new ATOM 0 HE2 TYR A 62 11.839 -24.835 13.855 1.00 43.32 H new ATOM 0 HH TYR A 62 11.884 -23.452 15.577 1.00 54.22 H new ATOM 901 N THR A 63 9.342 -22.478 6.925 1.00 61.53 N ATOM 902 CA THR A 63 8.894 -22.981 5.632 1.00 12.12 C ATOM 903 C THR A 63 8.407 -21.845 4.740 1.00 72.23 C ATOM 904 O THR A 63 7.941 -20.815 5.227 1.00 30.10 O ATOM 905 CB THR A 63 7.762 -24.014 5.793 1.00 43.32 C ATOM 906 OG1 THR A 63 7.222 -24.352 4.510 1.00 22.05 O ATOM 907 CG2 THR A 63 6.658 -23.471 6.687 1.00 75.50 C ATOM 0 H THR A 63 8.704 -21.814 7.364 1.00 61.53 H new ATOM 0 HA THR A 63 9.753 -23.464 5.165 1.00 12.12 H new ATOM 0 HB THR A 63 8.178 -24.908 6.259 1.00 43.32 H new ATOM 0 HG1 THR A 63 7.895 -24.839 3.990 1.00 22.05 H new ATOM 0 HG21 THR A 63 5.870 -24.217 6.786 1.00 75.50 H new ATOM 0 HG22 THR A 63 7.067 -23.242 7.671 1.00 75.50 H new ATOM 0 HG23 THR A 63 6.245 -22.564 6.245 1.00 75.50 H new ATOM 915 N VAL A 64 8.517 -22.040 3.429 1.00 13.33 N ATOM 916 CA VAL A 64 8.086 -21.032 2.468 1.00 55.11 C ATOM 917 C VAL A 64 7.581 -21.679 1.183 1.00 41.52 C ATOM 918 O VAL A 64 7.875 -22.841 0.902 1.00 45.13 O ATOM 919 CB VAL A 64 9.228 -20.058 2.125 1.00 4.23 C ATOM 920 CG1 VAL A 64 10.208 -20.703 1.157 1.00 23.45 C ATOM 921 CG2 VAL A 64 8.671 -18.765 1.549 1.00 1.25 C ATOM 0 H VAL A 64 8.901 -22.887 3.009 1.00 13.33 H new ATOM 0 HA VAL A 64 7.273 -20.476 2.936 1.00 55.11 H new ATOM 0 HB VAL A 64 9.765 -19.819 3.043 1.00 4.23 H new ATOM 0 HG11 VAL A 64 11.008 -19.999 0.926 1.00 23.45 H new ATOM 0 HG12 VAL A 64 10.632 -21.598 1.611 1.00 23.45 H new ATOM 0 HG13 VAL A 64 9.687 -20.974 0.239 1.00 23.45 H new ATOM 0 HG21 VAL A 64 9.492 -18.089 1.312 1.00 1.25 H new ATOM 0 HG22 VAL A 64 8.108 -18.984 0.642 1.00 1.25 H new ATOM 0 HG23 VAL A 64 8.013 -18.295 2.280 1.00 1.25 H new ATOM 931 N THR A 65 6.819 -20.918 0.403 1.00 12.44 N ATOM 932 CA THR A 65 6.272 -21.416 -0.852 1.00 43.24 C ATOM 933 C THR A 65 7.292 -21.301 -1.980 1.00 13.42 C ATOM 934 O THR A 65 7.886 -22.295 -2.395 1.00 0.22 O ATOM 935 CB THR A 65 4.995 -20.653 -1.251 1.00 34.32 C ATOM 936 OG1 THR A 65 3.984 -20.836 -0.253 1.00 74.34 O ATOM 937 CG2 THR A 65 4.477 -21.132 -2.599 1.00 32.23 C ATOM 0 H THR A 65 6.567 -19.954 0.619 1.00 12.44 H new ATOM 0 HA THR A 65 6.025 -22.466 -0.694 1.00 43.24 H new ATOM 0 HB THR A 65 5.240 -19.594 -1.330 1.00 34.32 H new ATOM 0 HG1 THR A 65 3.176 -20.347 -0.513 1.00 74.34 H new ATOM 0 HG21 THR A 65 3.575 -20.579 -2.860 1.00 32.23 H new ATOM 0 HG22 THR A 65 5.238 -20.965 -3.361 1.00 32.23 H new ATOM 0 HG23 THR A 65 4.247 -22.196 -2.543 1.00 32.23 H new ATOM 945 N GLU A 66 7.489 -20.081 -2.471 1.00 1.14 N ATOM 946 CA GLU A 66 8.438 -19.837 -3.551 1.00 33.41 C ATOM 947 C GLU A 66 8.559 -18.344 -3.842 1.00 23.31 C ATOM 948 O GLU A 66 8.053 -17.510 -3.090 1.00 73.31 O ATOM 949 CB GLU A 66 8.006 -20.581 -4.816 1.00 74.23 C ATOM 950 CG GLU A 66 6.705 -20.066 -5.411 1.00 25.51 C ATOM 951 CD GLU A 66 5.730 -21.182 -5.735 1.00 3.43 C ATOM 952 OE1 GLU A 66 6.190 -22.311 -6.006 1.00 1.30 O ATOM 953 OE2 GLU A 66 4.508 -20.926 -5.717 1.00 43.31 O ATOM 0 H GLU A 66 7.005 -19.247 -2.138 1.00 1.14 H new ATOM 0 HA GLU A 66 9.413 -20.208 -3.235 1.00 33.41 H new ATOM 0 HB2 GLU A 66 8.795 -20.499 -5.563 1.00 74.23 H new ATOM 0 HB3 GLU A 66 7.896 -21.640 -4.585 1.00 74.23 H new ATOM 0 HG2 GLU A 66 6.239 -19.373 -4.711 1.00 25.51 H new ATOM 0 HG3 GLU A 66 6.923 -19.503 -6.319 1.00 25.51 H new ATOM 960 N LEU A 67 9.235 -18.014 -4.937 1.00 73.31 N ATOM 961 CA LEU A 67 9.424 -16.622 -5.329 1.00 3.24 C ATOM 962 C LEU A 67 8.086 -15.895 -5.422 1.00 63.53 C ATOM 963 O LEU A 67 7.987 -14.712 -5.099 1.00 61.31 O ATOM 964 CB LEU A 67 10.155 -16.544 -6.670 1.00 40.42 C ATOM 965 CG LEU A 67 9.601 -17.426 -7.789 1.00 33.31 C ATOM 966 CD1 LEU A 67 8.503 -16.698 -8.549 1.00 33.52 C ATOM 967 CD2 LEU A 67 10.715 -17.851 -8.734 1.00 74.45 C ATOM 0 H LEU A 67 9.661 -18.692 -5.569 1.00 73.31 H new ATOM 0 HA LEU A 67 10.028 -16.134 -4.564 1.00 3.24 H new ATOM 0 HB2 LEU A 67 10.140 -15.508 -7.010 1.00 40.42 H new ATOM 0 HB3 LEU A 67 11.199 -16.811 -6.508 1.00 40.42 H new ATOM 0 HG LEU A 67 9.171 -18.322 -7.340 1.00 33.31 H new ATOM 0 HD11 LEU A 67 8.121 -17.341 -9.342 1.00 33.52 H new ATOM 0 HD12 LEU A 67 7.693 -16.445 -7.865 1.00 33.52 H new ATOM 0 HD13 LEU A 67 8.907 -15.785 -8.986 1.00 33.52 H new ATOM 0 HD21 LEU A 67 10.302 -18.478 -9.524 1.00 74.45 H new ATOM 0 HD22 LEU A 67 11.175 -16.967 -9.175 1.00 74.45 H new ATOM 0 HD23 LEU A 67 11.467 -18.413 -8.180 1.00 74.45 H new ATOM 979 N ALA A 68 7.059 -16.613 -5.865 1.00 30.23 N ATOM 980 CA ALA A 68 5.726 -16.038 -5.997 1.00 30.53 C ATOM 981 C ALA A 68 5.231 -15.488 -4.663 1.00 70.24 C ATOM 982 O ALA A 68 4.669 -14.395 -4.603 1.00 32.23 O ATOM 983 CB ALA A 68 4.754 -17.078 -6.534 1.00 72.14 C ATOM 0 H ALA A 68 7.125 -17.593 -6.138 1.00 30.23 H new ATOM 0 HA ALA A 68 5.782 -15.210 -6.703 1.00 30.53 H new ATOM 0 HB1 ALA A 68 3.762 -16.635 -6.628 1.00 72.14 H new ATOM 0 HB2 ALA A 68 5.092 -17.421 -7.512 1.00 72.14 H new ATOM 0 HB3 ALA A 68 4.710 -17.924 -5.848 1.00 72.14 H new ATOM 989 N ALA A 69 5.443 -16.253 -3.597 1.00 62.05 N ATOM 990 CA ALA A 69 5.020 -15.841 -2.265 1.00 55.11 C ATOM 991 C ALA A 69 5.843 -14.657 -1.769 1.00 31.11 C ATOM 992 O ALA A 69 5.334 -13.786 -1.064 1.00 15.23 O ATOM 993 CB ALA A 69 5.128 -17.006 -1.293 1.00 30.22 C ATOM 0 H ALA A 69 5.905 -17.162 -3.630 1.00 62.05 H new ATOM 0 HA ALA A 69 3.978 -15.526 -2.323 1.00 55.11 H new ATOM 0 HB1 ALA A 69 4.809 -16.684 -0.302 1.00 30.22 H new ATOM 0 HB2 ALA A 69 4.491 -17.823 -1.632 1.00 30.22 H new ATOM 0 HB3 ALA A 69 6.162 -17.348 -1.248 1.00 30.22 H new ATOM 999 N PHE A 70 7.118 -14.632 -2.141 1.00 24.11 N ATOM 1000 CA PHE A 70 8.013 -13.556 -1.732 1.00 1.41 C ATOM 1001 C PHE A 70 7.624 -12.241 -2.402 1.00 21.01 C ATOM 1002 O PHE A 70 7.782 -11.167 -1.823 1.00 54.14 O ATOM 1003 CB PHE A 70 9.461 -13.908 -2.078 1.00 22.44 C ATOM 1004 CG PHE A 70 10.467 -12.966 -1.480 1.00 32.22 C ATOM 1005 CD1 PHE A 70 11.115 -13.283 -0.297 1.00 12.11 C ATOM 1006 CD2 PHE A 70 10.763 -11.764 -2.101 1.00 4.43 C ATOM 1007 CE1 PHE A 70 12.041 -12.418 0.256 1.00 71.42 C ATOM 1008 CE2 PHE A 70 11.689 -10.895 -1.553 1.00 71.41 C ATOM 1009 CZ PHE A 70 12.327 -11.223 -0.373 1.00 5.52 C ATOM 0 H PHE A 70 7.555 -15.345 -2.725 1.00 24.11 H new ATOM 0 HA PHE A 70 7.924 -13.434 -0.652 1.00 1.41 H new ATOM 0 HB2 PHE A 70 9.673 -14.920 -1.733 1.00 22.44 H new ATOM 0 HB3 PHE A 70 9.577 -13.910 -3.162 1.00 22.44 H new ATOM 0 HD1 PHE A 70 10.894 -14.217 0.199 1.00 12.11 H new ATOM 0 HD2 PHE A 70 10.265 -11.502 -3.023 1.00 4.43 H new ATOM 0 HE1 PHE A 70 12.540 -12.677 1.178 1.00 71.42 H new ATOM 0 HE2 PHE A 70 11.913 -9.961 -2.047 1.00 71.41 H new ATOM 0 HZ PHE A 70 13.049 -10.545 0.057 1.00 5.52 H new ATOM 1019 N ASN A 71 7.116 -12.336 -3.626 1.00 54.43 N ATOM 1020 CA ASN A 71 6.705 -11.154 -4.377 1.00 31.43 C ATOM 1021 C ASN A 71 5.612 -10.391 -3.634 1.00 60.34 C ATOM 1022 O ASN A 71 5.565 -9.161 -3.668 1.00 23.10 O ATOM 1023 CB ASN A 71 6.208 -11.555 -5.767 1.00 62.22 C ATOM 1024 CG ASN A 71 6.453 -10.474 -6.802 1.00 74.23 C ATOM 1025 OD1 ASN A 71 5.648 -9.556 -6.959 1.00 10.33 O ATOM 1026 ND2 ASN A 71 7.568 -10.579 -7.515 1.00 71.44 N ATOM 0 H ASN A 71 6.979 -13.218 -4.119 1.00 54.43 H new ATOM 0 HA ASN A 71 7.572 -10.501 -4.483 1.00 31.43 H new ATOM 0 HB2 ASN A 71 6.708 -12.472 -6.078 1.00 62.22 H new ATOM 0 HB3 ASN A 71 5.141 -11.774 -5.719 1.00 62.22 H new ATOM 0 HD21 ASN A 71 7.786 -9.882 -8.227 1.00 71.44 H new ATOM 0 HD22 ASN A 71 8.207 -11.357 -7.351 1.00 71.44 H new ATOM 1033 N THR A 72 4.733 -11.130 -2.963 1.00 45.33 N ATOM 1034 CA THR A 72 3.641 -10.524 -2.213 1.00 53.22 C ATOM 1035 C THR A 72 4.149 -9.865 -0.936 1.00 23.52 C ATOM 1036 O THR A 72 3.683 -8.794 -0.549 1.00 53.34 O ATOM 1037 CB THR A 72 2.565 -11.564 -1.848 1.00 23.32 C ATOM 1038 OG1 THR A 72 2.606 -12.656 -2.774 1.00 35.15 O ATOM 1039 CG2 THR A 72 1.180 -10.936 -1.856 1.00 73.43 C ATOM 0 H THR A 72 4.757 -12.149 -2.924 1.00 45.33 H new ATOM 0 HA THR A 72 3.198 -9.765 -2.858 1.00 53.22 H new ATOM 0 HB THR A 72 2.773 -11.932 -0.843 1.00 23.32 H new ATOM 0 HG1 THR A 72 1.920 -13.314 -2.535 1.00 35.15 H new ATOM 0 HG21 THR A 72 0.437 -11.690 -1.595 1.00 73.43 H new ATOM 0 HG22 THR A 72 1.144 -10.125 -1.129 1.00 73.43 H new ATOM 0 HG23 THR A 72 0.965 -10.543 -2.849 1.00 73.43 H new ATOM 1047 N VAL A 73 5.110 -10.513 -0.284 1.00 35.25 N ATOM 1048 CA VAL A 73 5.683 -9.989 0.950 1.00 22.32 C ATOM 1049 C VAL A 73 6.543 -8.760 0.678 1.00 52.00 C ATOM 1050 O VAL A 73 6.385 -7.723 1.323 1.00 22.52 O ATOM 1051 CB VAL A 73 6.538 -11.051 1.667 1.00 30.31 C ATOM 1052 CG1 VAL A 73 7.232 -10.449 2.879 1.00 23.11 C ATOM 1053 CG2 VAL A 73 5.680 -12.241 2.070 1.00 25.42 C ATOM 0 H VAL A 73 5.508 -11.401 -0.590 1.00 35.25 H new ATOM 0 HA VAL A 73 4.848 -9.710 1.593 1.00 22.32 H new ATOM 0 HB VAL A 73 7.305 -11.402 0.977 1.00 30.31 H new ATOM 0 HG11 VAL A 73 7.831 -11.214 3.373 1.00 23.11 H new ATOM 0 HG12 VAL A 73 7.879 -9.632 2.559 1.00 23.11 H new ATOM 0 HG13 VAL A 73 6.484 -10.069 3.575 1.00 23.11 H new ATOM 0 HG21 VAL A 73 6.300 -12.982 2.575 1.00 25.42 H new ATOM 0 HG22 VAL A 73 4.890 -11.909 2.743 1.00 25.42 H new ATOM 0 HG23 VAL A 73 5.235 -12.686 1.180 1.00 25.42 H new ATOM 1063 N VAL A 74 7.453 -8.882 -0.283 1.00 21.20 N ATOM 1064 CA VAL A 74 8.338 -7.780 -0.643 1.00 33.43 C ATOM 1065 C VAL A 74 7.541 -6.558 -1.084 1.00 1.30 C ATOM 1066 O VAL A 74 7.891 -5.425 -0.755 1.00 13.31 O ATOM 1067 CB VAL A 74 9.306 -8.183 -1.771 1.00 32.31 C ATOM 1068 CG1 VAL A 74 8.534 -8.623 -3.006 1.00 32.25 C ATOM 1069 CG2 VAL A 74 10.246 -7.034 -2.101 1.00 50.04 C ATOM 0 H VAL A 74 7.597 -9.733 -0.827 1.00 21.20 H new ATOM 0 HA VAL A 74 8.914 -7.532 0.248 1.00 33.43 H new ATOM 0 HB VAL A 74 9.906 -9.026 -1.428 1.00 32.31 H new ATOM 0 HG11 VAL A 74 9.235 -8.904 -3.792 1.00 32.25 H new ATOM 0 HG12 VAL A 74 7.906 -9.478 -2.757 1.00 32.25 H new ATOM 0 HG13 VAL A 74 7.907 -7.802 -3.355 1.00 32.25 H new ATOM 0 HG21 VAL A 74 10.923 -7.336 -2.900 1.00 50.04 H new ATOM 0 HG22 VAL A 74 9.665 -6.170 -2.425 1.00 50.04 H new ATOM 0 HG23 VAL A 74 10.824 -6.771 -1.215 1.00 50.04 H new ATOM 1079 N ALA A 75 6.468 -6.796 -1.831 1.00 12.42 N ATOM 1080 CA ALA A 75 5.619 -5.714 -2.315 1.00 44.13 C ATOM 1081 C ALA A 75 5.033 -4.915 -1.156 1.00 44.44 C ATOM 1082 O ALA A 75 4.996 -3.685 -1.195 1.00 10.45 O ATOM 1083 CB ALA A 75 4.507 -6.268 -3.193 1.00 33.45 C ATOM 0 H ALA A 75 6.166 -7.728 -2.114 1.00 12.42 H new ATOM 0 HA ALA A 75 6.235 -5.041 -2.911 1.00 44.13 H new ATOM 0 HB1 ALA A 75 3.881 -5.449 -3.547 1.00 33.45 H new ATOM 0 HB2 ALA A 75 4.942 -6.788 -4.047 1.00 33.45 H new ATOM 0 HB3 ALA A 75 3.900 -6.965 -2.615 1.00 33.45 H new ATOM 1089 N ARG A 76 4.576 -5.621 -0.128 1.00 22.12 N ATOM 1090 CA ARG A 76 3.990 -4.977 1.041 1.00 1.24 C ATOM 1091 C ARG A 76 5.077 -4.428 1.962 1.00 75.23 C ATOM 1092 O ARG A 76 4.853 -3.468 2.700 1.00 43.14 O ATOM 1093 CB ARG A 76 3.109 -5.966 1.807 1.00 4.33 C ATOM 1094 CG ARG A 76 1.665 -5.987 1.336 1.00 53.45 C ATOM 1095 CD ARG A 76 1.568 -6.301 -0.149 1.00 51.42 C ATOM 1096 NE ARG A 76 0.190 -6.249 -0.631 1.00 22.21 N ATOM 1097 CZ ARG A 76 -0.506 -5.124 -0.747 1.00 34.13 C ATOM 1098 NH1 ARG A 76 0.043 -3.963 -0.418 1.00 24.33 N ATOM 1099 NH2 ARG A 76 -1.756 -5.159 -1.193 1.00 5.41 N ATOM 0 H ARG A 76 4.600 -6.640 -0.081 1.00 22.12 H new ATOM 0 HA ARG A 76 3.376 -4.145 0.696 1.00 1.24 H new ATOM 0 HB2 ARG A 76 3.529 -6.967 1.707 1.00 4.33 H new ATOM 0 HB3 ARG A 76 3.133 -5.715 2.867 1.00 4.33 H new ATOM 0 HG2 ARG A 76 1.107 -6.731 1.904 1.00 53.45 H new ATOM 0 HG3 ARG A 76 1.202 -5.021 1.536 1.00 53.45 H new ATOM 0 HD2 ARG A 76 2.175 -5.591 -0.710 1.00 51.42 H new ATOM 0 HD3 ARG A 76 1.981 -7.292 -0.338 1.00 51.42 H new ATOM 0 HE ARG A 76 -0.262 -7.125 -0.893 1.00 22.21 H new ATOM 0 HH11 ARG A 76 1.003 -3.932 -0.075 1.00 24.33 H new ATOM 0 HH12 ARG A 76 -0.495 -3.101 -0.508 1.00 24.33 H new ATOM 0 HH21 ARG A 76 -2.182 -6.050 -1.447 1.00 5.41 H new ATOM 0 HH22 ARG A 76 -2.290 -4.295 -1.282 1.00 5.41 H new ATOM 1113 N HIS A 77 6.253 -5.045 1.913 1.00 1.02 N ATOM 1114 CA HIS A 77 7.375 -4.618 2.742 1.00 34.55 C ATOM 1115 C HIS A 77 8.022 -3.359 2.175 1.00 62.14 C ATOM 1116 O HIS A 77 8.582 -2.549 2.914 1.00 71.23 O ATOM 1117 CB HIS A 77 8.412 -5.736 2.848 1.00 63.40 C ATOM 1118 CG HIS A 77 9.249 -5.662 4.088 1.00 34.23 C ATOM 1119 ND1 HIS A 77 9.207 -4.596 4.961 1.00 0.24 N ATOM 1120 CD2 HIS A 77 10.151 -6.531 4.601 1.00 70.31 C ATOM 1121 CE1 HIS A 77 10.049 -4.811 5.956 1.00 32.24 C ATOM 1122 NE2 HIS A 77 10.634 -5.979 5.762 1.00 60.23 N ATOM 0 H HIS A 77 6.454 -5.842 1.309 1.00 1.02 H new ATOM 0 HA HIS A 77 6.994 -4.391 3.738 1.00 34.55 H new ATOM 0 HB2 HIS A 77 7.901 -6.698 2.822 1.00 63.40 H new ATOM 0 HB3 HIS A 77 9.065 -5.698 1.976 1.00 63.40 H new ATOM 0 HD1 HIS A 77 8.618 -3.770 4.855 1.00 0.24 H new ATOM 0 HD2 HIS A 77 10.438 -7.482 4.176 1.00 70.31 H new ATOM 0 HE1 HIS A 77 10.228 -4.145 6.787 1.00 32.24 H new ATOM 1130 N VAL A 78 7.943 -3.201 0.857 1.00 33.11 N ATOM 1131 CA VAL A 78 8.521 -2.041 0.190 1.00 14.51 C ATOM 1132 C VAL A 78 7.940 -0.744 0.742 1.00 11.44 C ATOM 1133 O VAL A 78 6.850 -0.325 0.354 1.00 55.45 O ATOM 1134 CB VAL A 78 8.282 -2.090 -1.331 1.00 34.53 C ATOM 1135 CG1 VAL A 78 8.549 -0.731 -1.958 1.00 55.12 C ATOM 1136 CG2 VAL A 78 9.151 -3.162 -1.971 1.00 74.31 C ATOM 0 H VAL A 78 7.484 -3.862 0.230 1.00 33.11 H new ATOM 0 HA VAL A 78 9.593 -2.068 0.383 1.00 14.51 H new ATOM 0 HB VAL A 78 7.238 -2.346 -1.510 1.00 34.53 H new ATOM 0 HG11 VAL A 78 8.375 -0.786 -3.033 1.00 55.12 H new ATOM 0 HG12 VAL A 78 7.881 0.010 -1.519 1.00 55.12 H new ATOM 0 HG13 VAL A 78 9.583 -0.442 -1.772 1.00 55.12 H new ATOM 0 HG21 VAL A 78 8.970 -3.183 -3.046 1.00 74.31 H new ATOM 0 HG22 VAL A 78 10.201 -2.938 -1.784 1.00 74.31 H new ATOM 0 HG23 VAL A 78 8.905 -4.134 -1.542 1.00 74.31 H new ATOM 1146 N ARG A 79 8.676 -0.112 1.651 1.00 12.10 N ATOM 1147 CA ARG A 79 8.234 1.138 2.258 1.00 74.22 C ATOM 1148 C ARG A 79 9.425 1.954 2.751 1.00 52.23 C ATOM 1149 O ARG A 79 10.523 1.436 2.953 1.00 61.21 O ATOM 1150 CB ARG A 79 7.279 0.856 3.420 1.00 63.34 C ATOM 1151 CG ARG A 79 5.827 1.174 3.106 1.00 53.52 C ATOM 1152 CD ARG A 79 5.185 1.998 4.212 1.00 23.50 C ATOM 1153 NE ARG A 79 4.471 1.161 5.173 1.00 63.02 N ATOM 1154 CZ ARG A 79 3.830 1.642 6.232 1.00 20.11 C ATOM 1155 NH1 ARG A 79 3.813 2.947 6.465 1.00 43.12 N ATOM 1156 NH2 ARG A 79 3.203 0.817 7.061 1.00 62.31 N ATOM 0 H ARG A 79 9.581 -0.445 1.983 1.00 12.10 H new ATOM 0 HA ARG A 79 7.709 1.716 1.498 1.00 74.22 H new ATOM 0 HB2 ARG A 79 7.360 -0.195 3.699 1.00 63.34 H new ATOM 0 HB3 ARG A 79 7.591 1.440 4.286 1.00 63.34 H new ATOM 0 HG2 ARG A 79 5.768 1.719 2.164 1.00 53.52 H new ATOM 0 HG3 ARG A 79 5.271 0.246 2.973 1.00 53.52 H new ATOM 0 HD2 ARG A 79 5.954 2.570 4.731 1.00 23.50 H new ATOM 0 HD3 ARG A 79 4.493 2.717 3.773 1.00 23.50 H new ATOM 0 HE ARG A 79 4.464 0.152 5.022 1.00 63.02 H new ATOM 0 HH11 ARG A 79 4.293 3.585 5.830 1.00 43.12 H new ATOM 0 HH12 ARG A 79 3.320 3.313 7.279 1.00 43.12 H new ATOM 0 HH21 ARG A 79 3.213 -0.188 6.885 1.00 62.31 H new ATOM 0 HH22 ARG A 79 2.711 1.188 7.874 1.00 62.31 H new ATOM 1170 N PRO A 80 9.205 3.262 2.949 1.00 53.55 N ATOM 1171 CA PRO A 80 10.248 4.178 3.420 1.00 53.31 C ATOM 1172 C PRO A 80 10.630 3.923 4.874 1.00 72.32 C ATOM 1173 O PRO A 80 9.864 4.226 5.789 1.00 25.41 O ATOM 1174 CB PRO A 80 9.602 5.558 3.271 1.00 12.14 C ATOM 1175 CG PRO A 80 8.136 5.301 3.348 1.00 25.35 C ATOM 1176 CD PRO A 80 7.920 3.948 2.728 1.00 44.22 C ATOM 0 HA PRO A 80 11.175 4.063 2.858 1.00 53.31 H new ATOM 0 HB2 PRO A 80 9.927 6.235 4.061 1.00 12.14 H new ATOM 0 HB3 PRO A 80 9.873 6.022 2.323 1.00 12.14 H new ATOM 0 HG2 PRO A 80 7.791 5.316 4.382 1.00 25.35 H new ATOM 0 HG3 PRO A 80 7.577 6.069 2.814 1.00 25.35 H new ATOM 0 HD2 PRO A 80 7.094 3.416 3.201 1.00 44.22 H new ATOM 0 HD3 PRO A 80 7.683 4.025 1.667 1.00 44.22 H new ATOM 1184 N SER A 81 11.818 3.364 5.079 1.00 22.02 N ATOM 1185 CA SER A 81 12.300 3.065 6.422 1.00 24.44 C ATOM 1186 C SER A 81 11.364 2.090 7.131 1.00 43.20 C ATOM 1187 O SER A 81 11.101 2.223 8.326 1.00 65.32 O ATOM 1188 CB SER A 81 12.429 4.352 7.240 1.00 71.44 C ATOM 1189 OG SER A 81 13.562 4.305 8.089 1.00 0.13 O ATOM 0 H SER A 81 12.464 3.109 4.332 1.00 22.02 H new ATOM 0 HA SER A 81 13.282 2.600 6.333 1.00 24.44 H new ATOM 0 HB2 SER A 81 12.509 5.207 6.569 1.00 71.44 H new ATOM 0 HB3 SER A 81 11.529 4.499 7.837 1.00 71.44 H new ATOM 0 HG SER A 81 13.623 5.139 8.600 1.00 0.13 H new ATOM 1195 N ALA A 82 10.864 1.111 6.384 1.00 3.13 N ATOM 1196 CA ALA A 82 9.959 0.113 6.940 1.00 62.30 C ATOM 1197 C ALA A 82 10.727 -1.106 7.440 1.00 32.32 C ATOM 1198 O ALA A 82 11.093 -1.985 6.659 1.00 11.42 O ATOM 1199 CB ALA A 82 8.927 -0.301 5.901 1.00 4.30 C ATOM 0 H ALA A 82 11.070 0.988 5.393 1.00 3.13 H new ATOM 0 HA ALA A 82 9.444 0.559 7.790 1.00 62.30 H new ATOM 0 HB1 ALA A 82 8.258 -1.047 6.330 1.00 4.30 H new ATOM 0 HB2 ALA A 82 8.350 0.571 5.594 1.00 4.30 H new ATOM 0 HB3 ALA A 82 9.434 -0.724 5.034 1.00 4.30 H new ATOM 1205 N SER A 83 10.968 -1.153 8.746 1.00 30.05 N ATOM 1206 CA SER A 83 11.696 -2.263 9.350 1.00 5.41 C ATOM 1207 C SER A 83 10.734 -3.333 9.856 1.00 62.34 C ATOM 1208 O SER A 83 9.737 -3.028 10.510 1.00 2.24 O ATOM 1209 CB SER A 83 12.570 -1.761 10.502 1.00 54.22 C ATOM 1210 OG SER A 83 13.246 -0.567 10.146 1.00 20.44 O ATOM 0 H SER A 83 10.670 -0.435 9.407 1.00 30.05 H new ATOM 0 HA SER A 83 12.334 -2.705 8.585 1.00 5.41 H new ATOM 0 HB2 SER A 83 11.951 -1.584 11.382 1.00 54.22 H new ATOM 0 HB3 SER A 83 13.297 -2.527 10.772 1.00 54.22 H new ATOM 0 HG SER A 83 13.796 -0.266 10.899 1.00 20.44 H new ATOM 1216 N ILE A 84 11.041 -4.589 9.547 1.00 52.35 N ATOM 1217 CA ILE A 84 10.205 -5.705 9.970 1.00 74.02 C ATOM 1218 C ILE A 84 11.041 -6.956 10.216 1.00 61.01 C ATOM 1219 O ILE A 84 11.894 -7.331 9.411 1.00 2.22 O ATOM 1220 CB ILE A 84 9.120 -6.024 8.924 1.00 32.01 C ATOM 1221 CG1 ILE A 84 8.271 -4.783 8.643 1.00 14.33 C ATOM 1222 CG2 ILE A 84 8.245 -7.174 9.402 1.00 44.32 C ATOM 1223 CD1 ILE A 84 7.187 -5.012 7.613 1.00 61.21 C ATOM 0 H ILE A 84 11.862 -4.858 9.005 1.00 52.35 H new ATOM 0 HA ILE A 84 9.724 -5.404 10.900 1.00 74.02 H new ATOM 0 HB ILE A 84 9.608 -6.325 7.997 1.00 32.01 H new ATOM 0 HG12 ILE A 84 7.812 -4.449 9.573 1.00 14.33 H new ATOM 0 HG13 ILE A 84 8.921 -3.978 8.301 1.00 14.33 H new ATOM 0 HG21 ILE A 84 7.483 -7.388 8.652 1.00 44.32 H new ATOM 0 HG22 ILE A 84 8.861 -8.060 9.556 1.00 44.32 H new ATOM 0 HG23 ILE A 84 7.763 -6.899 10.340 1.00 44.32 H new ATOM 0 HD11 ILE A 84 6.625 -4.090 7.465 1.00 61.21 H new ATOM 0 HD12 ILE A 84 7.640 -5.317 6.670 1.00 61.21 H new ATOM 0 HD13 ILE A 84 6.513 -5.795 7.962 1.00 61.21 H new ATOM 1235 N PRO A 85 10.792 -7.620 11.354 1.00 35.22 N ATOM 1236 CA PRO A 85 11.510 -8.841 11.732 1.00 35.11 C ATOM 1237 C PRO A 85 11.144 -10.026 10.845 1.00 21.53 C ATOM 1238 O PRO A 85 9.988 -10.446 10.798 1.00 32.43 O ATOM 1239 CB PRO A 85 11.053 -9.090 13.172 1.00 42.31 C ATOM 1240 CG PRO A 85 9.722 -8.428 13.267 1.00 72.11 C ATOM 1241 CD PRO A 85 9.789 -7.231 12.360 1.00 53.33 C ATOM 0 HA PRO A 85 12.589 -8.729 11.626 1.00 35.11 H new ATOM 0 HB2 PRO A 85 10.981 -10.156 13.386 1.00 42.31 H new ATOM 0 HB3 PRO A 85 11.757 -8.668 13.889 1.00 42.31 H new ATOM 0 HG2 PRO A 85 8.926 -9.106 12.960 1.00 72.11 H new ATOM 0 HG3 PRO A 85 9.507 -8.129 14.293 1.00 72.11 H new ATOM 0 HD2 PRO A 85 8.823 -7.019 11.903 1.00 53.33 H new ATOM 0 HD3 PRO A 85 10.089 -6.334 12.901 1.00 53.33 H new ATOM 1249 N VAL A 86 12.137 -10.563 10.143 1.00 3.12 N ATOM 1250 CA VAL A 86 11.920 -11.702 9.259 1.00 43.42 C ATOM 1251 C VAL A 86 12.613 -12.951 9.791 1.00 0.14 C ATOM 1252 O VAL A 86 13.654 -12.867 10.443 1.00 42.32 O ATOM 1253 CB VAL A 86 12.432 -11.412 7.835 1.00 13.21 C ATOM 1254 CG1 VAL A 86 12.067 -12.550 6.895 1.00 63.44 C ATOM 1255 CG2 VAL A 86 11.874 -10.091 7.328 1.00 54.24 C ATOM 0 H VAL A 86 13.100 -10.227 10.169 1.00 3.12 H new ATOM 0 HA VAL A 86 10.844 -11.874 9.223 1.00 43.42 H new ATOM 0 HB VAL A 86 13.519 -11.333 7.867 1.00 13.21 H new ATOM 0 HG11 VAL A 86 12.437 -12.328 5.894 1.00 63.44 H new ATOM 0 HG12 VAL A 86 12.519 -13.476 7.252 1.00 63.44 H new ATOM 0 HG13 VAL A 86 10.983 -12.664 6.865 1.00 63.44 H new ATOM 0 HG21 VAL A 86 12.246 -9.902 6.321 1.00 54.24 H new ATOM 0 HG22 VAL A 86 10.785 -10.139 7.310 1.00 54.24 H new ATOM 0 HG23 VAL A 86 12.191 -9.284 7.989 1.00 54.24 H new ATOM 1265 N VAL A 87 12.028 -14.111 9.509 1.00 2.25 N ATOM 1266 CA VAL A 87 12.590 -15.379 9.959 1.00 73.24 C ATOM 1267 C VAL A 87 13.516 -15.974 8.904 1.00 21.10 C ATOM 1268 O VAL A 87 13.106 -16.222 7.770 1.00 14.20 O ATOM 1269 CB VAL A 87 11.482 -16.398 10.287 1.00 25.21 C ATOM 1270 CG1 VAL A 87 12.088 -17.739 10.674 1.00 41.05 C ATOM 1271 CG2 VAL A 87 10.585 -15.870 11.396 1.00 52.01 C ATOM 0 H VAL A 87 11.166 -14.199 8.971 1.00 2.25 H new ATOM 0 HA VAL A 87 13.161 -15.170 10.864 1.00 73.24 H new ATOM 0 HB VAL A 87 10.872 -16.545 9.396 1.00 25.21 H new ATOM 0 HG11 VAL A 87 11.291 -18.446 10.902 1.00 41.05 H new ATOM 0 HG12 VAL A 87 12.686 -18.121 9.846 1.00 41.05 H new ATOM 0 HG13 VAL A 87 12.722 -17.612 11.551 1.00 41.05 H new ATOM 0 HG21 VAL A 87 9.808 -16.602 11.615 1.00 52.01 H new ATOM 0 HG22 VAL A 87 11.180 -15.693 12.292 1.00 52.01 H new ATOM 0 HG23 VAL A 87 10.123 -14.936 11.077 1.00 52.01 H new ATOM 1281 N PHE A 88 14.769 -16.202 9.285 1.00 34.04 N ATOM 1282 CA PHE A 88 15.755 -16.768 8.372 1.00 32.04 C ATOM 1283 C PHE A 88 16.233 -18.131 8.865 1.00 54.02 C ATOM 1284 O PHE A 88 16.237 -18.403 10.065 1.00 2.54 O ATOM 1285 CB PHE A 88 16.947 -15.820 8.224 1.00 32.21 C ATOM 1286 CG PHE A 88 16.721 -14.725 7.221 1.00 71.52 C ATOM 1287 CD1 PHE A 88 17.206 -14.841 5.928 1.00 21.33 C ATOM 1288 CD2 PHE A 88 16.024 -13.580 7.571 1.00 73.34 C ATOM 1289 CE1 PHE A 88 17.000 -13.836 5.002 1.00 13.14 C ATOM 1290 CE2 PHE A 88 15.814 -12.572 6.649 1.00 12.11 C ATOM 1291 CZ PHE A 88 16.303 -12.699 5.364 1.00 65.22 C ATOM 0 H PHE A 88 15.125 -16.003 10.220 1.00 34.04 H new ATOM 0 HA PHE A 88 15.280 -16.899 7.399 1.00 32.04 H new ATOM 0 HB2 PHE A 88 17.169 -15.374 9.193 1.00 32.21 H new ATOM 0 HB3 PHE A 88 17.825 -16.396 7.930 1.00 32.21 H new ATOM 0 HD1 PHE A 88 17.752 -15.728 5.640 1.00 21.33 H new ATOM 0 HD2 PHE A 88 15.641 -13.474 8.575 1.00 73.34 H new ATOM 0 HE1 PHE A 88 17.383 -13.939 3.997 1.00 13.14 H new ATOM 0 HE2 PHE A 88 15.267 -11.685 6.934 1.00 12.11 H new ATOM 0 HZ PHE A 88 16.141 -11.911 4.643 1.00 65.22 H new ATOM 1301 N SER A 89 16.633 -18.985 7.928 1.00 4.32 N ATOM 1302 CA SER A 89 17.109 -20.321 8.265 1.00 21.32 C ATOM 1303 C SER A 89 18.379 -20.657 7.490 1.00 63.41 C ATOM 1304 O SER A 89 18.565 -20.211 6.358 1.00 72.45 O ATOM 1305 CB SER A 89 16.027 -21.361 7.968 1.00 14.21 C ATOM 1306 OG SER A 89 15.468 -21.872 9.166 1.00 62.31 O ATOM 0 H SER A 89 16.637 -18.775 6.930 1.00 4.32 H new ATOM 0 HA SER A 89 17.339 -20.340 9.330 1.00 21.32 H new ATOM 0 HB2 SER A 89 15.242 -20.911 7.360 1.00 14.21 H new ATOM 0 HB3 SER A 89 16.453 -22.177 7.385 1.00 14.21 H new ATOM 0 HG SER A 89 16.179 -22.253 9.722 1.00 62.31 H new ATOM 1312 N ARG A 90 19.251 -21.447 8.109 1.00 61.04 N ATOM 1313 CA ARG A 90 20.505 -21.843 7.478 1.00 12.43 C ATOM 1314 C ARG A 90 20.689 -23.356 7.537 1.00 73.33 C ATOM 1315 O ARG A 90 21.284 -23.884 8.477 1.00 54.52 O ATOM 1316 CB ARG A 90 21.685 -21.148 8.161 1.00 73.14 C ATOM 1317 CG ARG A 90 22.330 -20.067 7.309 1.00 23.03 C ATOM 1318 CD ARG A 90 22.987 -18.999 8.169 1.00 4.14 C ATOM 1319 NE ARG A 90 22.005 -18.107 8.780 1.00 41.13 N ATOM 1320 CZ ARG A 90 22.300 -16.899 9.248 1.00 21.42 C ATOM 1321 NH1 ARG A 90 23.542 -16.442 9.176 1.00 25.03 N ATOM 1322 NH2 ARG A 90 21.351 -16.147 9.790 1.00 41.53 N ATOM 0 H ARG A 90 19.112 -21.825 9.046 1.00 61.04 H new ATOM 0 HA ARG A 90 20.469 -21.539 6.432 1.00 12.43 H new ATOM 0 HB2 ARG A 90 21.343 -20.706 9.097 1.00 73.14 H new ATOM 0 HB3 ARG A 90 22.437 -21.894 8.417 1.00 73.14 H new ATOM 0 HG2 ARG A 90 23.075 -20.516 6.652 1.00 23.03 H new ATOM 0 HG3 ARG A 90 21.576 -19.608 6.669 1.00 23.03 H new ATOM 0 HD2 ARG A 90 23.579 -19.476 8.950 1.00 4.14 H new ATOM 0 HD3 ARG A 90 23.676 -18.416 7.559 1.00 4.14 H new ATOM 0 HE ARG A 90 21.040 -18.429 8.851 1.00 41.13 H new ATOM 0 HH11 ARG A 90 24.274 -17.018 8.761 1.00 25.03 H new ATOM 0 HH12 ARG A 90 23.766 -15.514 9.536 1.00 25.03 H new ATOM 0 HH21 ARG A 90 20.394 -16.496 9.848 1.00 41.53 H new ATOM 0 HH22 ARG A 90 21.578 -15.220 10.149 1.00 41.53 H new ATOM 1336 N ASP A 91 20.174 -24.049 6.527 1.00 51.23 N ATOM 1337 CA ASP A 91 20.282 -25.502 6.462 1.00 14.34 C ATOM 1338 C ASP A 91 19.585 -26.152 7.654 1.00 53.53 C ATOM 1339 O ASP A 91 20.076 -27.130 8.215 1.00 13.23 O ATOM 1340 CB ASP A 91 21.751 -25.924 6.423 1.00 60.34 C ATOM 1341 CG ASP A 91 22.557 -25.122 5.420 1.00 61.53 C ATOM 1342 OD1 ASP A 91 22.435 -25.395 4.207 1.00 44.32 O ATOM 1343 OD2 ASP A 91 23.309 -24.222 5.848 1.00 71.13 O ATOM 0 H ASP A 91 19.677 -23.628 5.742 1.00 51.23 H new ATOM 0 HA ASP A 91 19.791 -25.838 5.549 1.00 14.34 H new ATOM 0 HB2 ASP A 91 22.187 -25.804 7.415 1.00 60.34 H new ATOM 0 HB3 ASP A 91 21.815 -26.983 6.173 1.00 60.34 H new ATOM 1348 N GLY A 92 18.437 -25.599 8.035 1.00 32.20 N ATOM 1349 CA GLY A 92 17.692 -26.137 9.158 1.00 33.32 C ATOM 1350 C GLY A 92 17.875 -25.319 10.421 1.00 24.30 C ATOM 1351 O GLY A 92 17.132 -25.482 11.388 1.00 14.25 O ATOM 0 H GLY A 92 18.010 -24.789 7.586 1.00 32.20 H new ATOM 0 HA2 GLY A 92 16.633 -26.174 8.903 1.00 33.32 H new ATOM 0 HA3 GLY A 92 18.011 -27.163 9.344 1.00 33.32 H new ATOM 1355 N VAL A 93 18.870 -24.438 10.414 1.00 44.21 N ATOM 1356 CA VAL A 93 19.150 -23.592 11.568 1.00 43.53 C ATOM 1357 C VAL A 93 18.014 -22.605 11.814 1.00 23.23 C ATOM 1358 O VAL A 93 17.408 -22.092 10.874 1.00 41.22 O ATOM 1359 CB VAL A 93 20.464 -22.809 11.384 1.00 2.02 C ATOM 1360 CG1 VAL A 93 20.644 -21.797 12.505 1.00 1.13 C ATOM 1361 CG2 VAL A 93 21.648 -23.763 11.321 1.00 55.22 C ATOM 0 H VAL A 93 19.496 -24.291 9.622 1.00 44.21 H new ATOM 0 HA VAL A 93 19.247 -24.253 12.429 1.00 43.53 H new ATOM 0 HB VAL A 93 20.414 -22.265 10.441 1.00 2.02 H new ATOM 0 HG11 VAL A 93 21.577 -21.254 12.358 1.00 1.13 H new ATOM 0 HG12 VAL A 93 19.810 -21.095 12.499 1.00 1.13 H new ATOM 0 HG13 VAL A 93 20.673 -22.316 13.463 1.00 1.13 H new ATOM 0 HG21 VAL A 93 22.568 -23.193 11.191 1.00 55.22 H new ATOM 0 HG22 VAL A 93 21.704 -24.335 12.247 1.00 55.22 H new ATOM 0 HG23 VAL A 93 21.522 -24.445 10.480 1.00 55.22 H new ATOM 1371 N VAL A 94 17.731 -22.344 13.086 1.00 13.34 N ATOM 1372 CA VAL A 94 16.668 -21.417 13.458 1.00 61.11 C ATOM 1373 C VAL A 94 17.237 -20.156 14.099 1.00 64.42 C ATOM 1374 O VAL A 94 17.802 -20.204 15.191 1.00 21.11 O ATOM 1375 CB VAL A 94 15.670 -22.069 14.433 1.00 71.52 C ATOM 1376 CG1 VAL A 94 16.402 -22.682 15.617 1.00 3.51 C ATOM 1377 CG2 VAL A 94 14.640 -21.052 14.900 1.00 20.12 C ATOM 0 H VAL A 94 18.223 -22.761 13.876 1.00 13.34 H new ATOM 0 HA VAL A 94 16.146 -21.150 12.539 1.00 61.11 H new ATOM 0 HB VAL A 94 15.146 -22.868 13.908 1.00 71.52 H new ATOM 0 HG11 VAL A 94 15.680 -23.138 16.295 1.00 3.51 H new ATOM 0 HG12 VAL A 94 17.096 -23.443 15.261 1.00 3.51 H new ATOM 0 HG13 VAL A 94 16.955 -21.905 16.145 1.00 3.51 H new ATOM 0 HG21 VAL A 94 13.943 -21.530 15.588 1.00 20.12 H new ATOM 0 HG22 VAL A 94 15.145 -20.230 15.407 1.00 20.12 H new ATOM 0 HG23 VAL A 94 14.093 -20.666 14.039 1.00 20.12 H new ATOM 1387 N MET A 95 17.084 -19.029 13.412 1.00 64.13 N ATOM 1388 CA MET A 95 17.582 -17.754 13.915 1.00 21.22 C ATOM 1389 C MET A 95 16.680 -16.606 13.474 1.00 42.11 C ATOM 1390 O MET A 95 16.117 -16.632 12.380 1.00 74.11 O ATOM 1391 CB MET A 95 19.012 -17.512 13.427 1.00 13.21 C ATOM 1392 CG MET A 95 19.697 -16.340 14.111 1.00 20.24 C ATOM 1393 SD MET A 95 19.997 -16.638 15.864 1.00 23.52 S ATOM 1394 CE MET A 95 21.708 -17.168 15.829 1.00 2.53 C ATOM 0 H MET A 95 16.619 -18.973 12.506 1.00 64.13 H new ATOM 0 HA MET A 95 17.580 -17.796 15.004 1.00 21.22 H new ATOM 0 HB2 MET A 95 19.601 -18.414 13.593 1.00 13.21 H new ATOM 0 HB3 MET A 95 18.995 -17.335 12.352 1.00 13.21 H new ATOM 0 HG2 MET A 95 20.645 -16.138 13.613 1.00 20.24 H new ATOM 0 HG3 MET A 95 19.081 -15.448 13.998 1.00 20.24 H new ATOM 0 HE1 MET A 95 22.041 -17.390 16.843 1.00 2.53 H new ATOM 0 HE2 MET A 95 21.799 -18.063 15.213 1.00 2.53 H new ATOM 0 HE3 MET A 95 22.326 -16.374 15.410 1.00 2.53 H new ATOM 1404 N SER A 96 16.548 -15.600 14.332 1.00 10.42 N ATOM 1405 CA SER A 96 15.711 -14.444 14.032 1.00 11.10 C ATOM 1406 C SER A 96 16.565 -13.206 13.778 1.00 43.32 C ATOM 1407 O SER A 96 17.456 -12.881 14.562 1.00 22.23 O ATOM 1408 CB SER A 96 14.739 -14.179 15.183 1.00 33.01 C ATOM 1409 OG SER A 96 15.421 -14.119 16.424 1.00 42.35 O ATOM 0 H SER A 96 17.010 -15.562 15.241 1.00 10.42 H new ATOM 0 HA SER A 96 15.142 -14.663 13.128 1.00 11.10 H new ATOM 0 HB2 SER A 96 14.212 -13.241 15.009 1.00 33.01 H new ATOM 0 HB3 SER A 96 13.986 -14.967 15.216 1.00 33.01 H new ATOM 0 HG SER A 96 16.342 -13.818 16.277 1.00 42.35 H new ATOM 1415 N ALA A 97 16.286 -12.518 12.675 1.00 23.22 N ATOM 1416 CA ALA A 97 17.027 -11.315 12.317 1.00 12.24 C ATOM 1417 C ALA A 97 16.103 -10.258 11.721 1.00 34.44 C ATOM 1418 O ALA A 97 15.211 -10.572 10.932 1.00 41.13 O ATOM 1419 CB ALA A 97 18.144 -11.653 11.341 1.00 32.12 C ATOM 0 H ALA A 97 15.552 -12.774 12.014 1.00 23.22 H new ATOM 0 HA ALA A 97 17.466 -10.905 13.226 1.00 12.24 H new ATOM 0 HB1 ALA A 97 18.689 -10.745 11.083 1.00 32.12 H new ATOM 0 HB2 ALA A 97 18.827 -12.367 11.802 1.00 32.12 H new ATOM 0 HB3 ALA A 97 17.718 -12.090 10.438 1.00 32.12 H new ATOM 1425 N THR A 98 16.320 -9.004 12.105 1.00 61.13 N ATOM 1426 CA THR A 98 15.506 -7.902 11.610 1.00 54.53 C ATOM 1427 C THR A 98 16.144 -7.252 10.387 1.00 31.12 C ATOM 1428 O THR A 98 17.323 -6.897 10.406 1.00 71.10 O ATOM 1429 CB THR A 98 15.293 -6.829 12.695 1.00 41.14 C ATOM 1430 OG1 THR A 98 14.960 -7.451 13.940 1.00 33.33 O ATOM 1431 CG2 THR A 98 14.188 -5.864 12.292 1.00 1.14 C ATOM 0 H THR A 98 17.053 -8.727 12.758 1.00 61.13 H new ATOM 0 HA THR A 98 14.540 -8.324 11.331 1.00 54.53 H new ATOM 0 HB THR A 98 16.221 -6.268 12.807 1.00 41.14 H new ATOM 0 HG1 THR A 98 14.828 -6.762 14.625 1.00 33.33 H new ATOM 0 HG21 THR A 98 14.056 -5.116 13.073 1.00 1.14 H new ATOM 0 HG22 THR A 98 14.459 -5.370 11.359 1.00 1.14 H new ATOM 0 HG23 THR A 98 13.257 -6.414 12.155 1.00 1.14 H new ATOM 1439 N ILE A 99 15.358 -7.099 9.327 1.00 44.15 N ATOM 1440 CA ILE A 99 15.848 -6.490 8.096 1.00 74.11 C ATOM 1441 C ILE A 99 15.138 -5.170 7.816 1.00 52.22 C ATOM 1442 O ILE A 99 13.911 -5.118 7.730 1.00 72.24 O ATOM 1443 CB ILE A 99 15.658 -7.428 6.889 1.00 35.24 C ATOM 1444 CG1 ILE A 99 14.185 -7.816 6.745 1.00 74.45 C ATOM 1445 CG2 ILE A 99 16.525 -8.669 7.041 1.00 44.40 C ATOM 1446 CD1 ILE A 99 13.543 -7.292 5.479 1.00 1.20 C ATOM 0 H ILE A 99 14.380 -7.388 9.295 1.00 44.15 H new ATOM 0 HA ILE A 99 16.913 -6.305 8.238 1.00 74.11 H new ATOM 0 HB ILE A 99 15.966 -6.901 5.986 1.00 35.24 H new ATOM 0 HG12 ILE A 99 14.100 -8.903 6.763 1.00 74.45 H new ATOM 0 HG13 ILE A 99 13.633 -7.439 7.606 1.00 74.45 H new ATOM 0 HG21 ILE A 99 16.380 -9.322 6.180 1.00 44.40 H new ATOM 0 HG22 ILE A 99 17.573 -8.376 7.101 1.00 44.40 H new ATOM 0 HG23 ILE A 99 16.244 -9.200 7.951 1.00 44.40 H new ATOM 0 HD11 ILE A 99 12.500 -7.605 5.444 1.00 1.20 H new ATOM 0 HD12 ILE A 99 13.596 -6.203 5.468 1.00 1.20 H new ATOM 0 HD13 ILE A 99 14.071 -7.689 4.612 1.00 1.20 H new ATOM 1458 N VAL A 100 15.918 -4.103 7.673 1.00 62.33 N ATOM 1459 CA VAL A 100 15.365 -2.782 7.399 1.00 21.31 C ATOM 1460 C VAL A 100 15.421 -2.461 5.910 1.00 43.31 C ATOM 1461 O VAL A 100 16.501 -2.324 5.333 1.00 35.15 O ATOM 1462 CB VAL A 100 16.116 -1.687 8.178 1.00 4.34 C ATOM 1463 CG1 VAL A 100 15.456 -0.333 7.968 1.00 53.11 C ATOM 1464 CG2 VAL A 100 16.179 -2.034 9.658 1.00 24.11 C ATOM 0 H VAL A 100 16.935 -4.128 7.742 1.00 62.33 H new ATOM 0 HA VAL A 100 14.325 -2.800 7.725 1.00 21.31 H new ATOM 0 HB VAL A 100 17.136 -1.630 7.797 1.00 4.34 H new ATOM 0 HG11 VAL A 100 16.001 0.428 8.526 1.00 53.11 H new ATOM 0 HG12 VAL A 100 15.468 -0.083 6.907 1.00 53.11 H new ATOM 0 HG13 VAL A 100 14.425 -0.372 8.320 1.00 53.11 H new ATOM 0 HG21 VAL A 100 16.713 -1.249 10.193 1.00 24.11 H new ATOM 0 HG22 VAL A 100 15.167 -2.120 10.055 1.00 24.11 H new ATOM 0 HG23 VAL A 100 16.701 -2.982 9.788 1.00 24.11 H new ATOM 1474 N VAL A 101 14.251 -2.340 5.291 1.00 32.34 N ATOM 1475 CA VAL A 101 14.166 -2.033 3.869 1.00 50.13 C ATOM 1476 C VAL A 101 13.804 -0.569 3.643 1.00 33.25 C ATOM 1477 O VAL A 101 12.646 -0.177 3.782 1.00 72.03 O ATOM 1478 CB VAL A 101 13.125 -2.922 3.163 1.00 21.44 C ATOM 1479 CG1 VAL A 101 13.714 -4.290 2.853 1.00 31.21 C ATOM 1480 CG2 VAL A 101 11.872 -3.053 4.015 1.00 33.35 C ATOM 0 H VAL A 101 13.348 -2.450 5.753 1.00 32.34 H new ATOM 0 HA VAL A 101 15.150 -2.231 3.444 1.00 50.13 H new ATOM 0 HB VAL A 101 12.848 -2.450 2.220 1.00 21.44 H new ATOM 0 HG11 VAL A 101 12.964 -4.904 2.354 1.00 31.21 H new ATOM 0 HG12 VAL A 101 14.580 -4.174 2.201 1.00 31.21 H new ATOM 0 HG13 VAL A 101 14.020 -4.773 3.781 1.00 31.21 H new ATOM 0 HG21 VAL A 101 11.147 -3.684 3.501 1.00 33.35 H new ATOM 0 HG22 VAL A 101 12.129 -3.503 4.974 1.00 33.35 H new ATOM 0 HG23 VAL A 101 11.440 -2.066 4.181 1.00 33.35 H new ATOM 1490 N GLY A 102 14.803 0.235 3.295 1.00 41.43 N ATOM 1491 CA GLY A 102 14.570 1.648 3.055 1.00 34.42 C ATOM 1492 C GLY A 102 14.631 2.004 1.583 1.00 24.12 C ATOM 1493 O GLY A 102 15.701 1.975 0.976 1.00 3.21 O ATOM 0 H GLY A 102 15.770 -0.066 3.175 1.00 41.43 H new ATOM 0 HA2 GLY A 102 13.593 1.925 3.452 1.00 34.42 H new ATOM 0 HA3 GLY A 102 15.312 2.233 3.598 1.00 34.42 H new ATOM 1497 N GLU A 103 13.481 2.339 1.008 1.00 13.10 N ATOM 1498 CA GLU A 103 13.409 2.700 -0.403 1.00 63.20 C ATOM 1499 C GLU A 103 13.598 4.202 -0.591 1.00 13.53 C ATOM 1500 O GLU A 103 13.825 4.677 -1.704 1.00 60.05 O ATOM 1501 CB GLU A 103 12.068 2.265 -0.996 1.00 74.02 C ATOM 1502 CG GLU A 103 11.982 0.775 -1.281 1.00 21.25 C ATOM 1503 CD GLU A 103 12.143 -0.068 -0.030 1.00 53.21 C ATOM 1504 OE1 GLU A 103 11.309 0.071 0.889 1.00 11.33 O ATOM 1505 OE2 GLU A 103 13.101 -0.866 0.029 1.00 4.44 O ATOM 0 H GLU A 103 12.586 2.368 1.497 1.00 13.10 H new ATOM 0 HA GLU A 103 14.214 2.182 -0.925 1.00 63.20 H new ATOM 0 HB2 GLU A 103 11.269 2.541 -0.307 1.00 74.02 H new ATOM 0 HB3 GLU A 103 11.895 2.814 -1.922 1.00 74.02 H new ATOM 0 HG2 GLU A 103 11.021 0.552 -1.744 1.00 21.25 H new ATOM 0 HG3 GLU A 103 12.753 0.501 -2.001 1.00 21.25 H new ATOM 1512 N LEU A 104 13.501 4.946 0.506 1.00 41.23 N ATOM 1513 CA LEU A 104 13.660 6.396 0.464 1.00 62.35 C ATOM 1514 C LEU A 104 14.278 6.914 1.758 1.00 30.44 C ATOM 1515 O LEU A 104 13.814 7.902 2.326 1.00 30.43 O ATOM 1516 CB LEU A 104 12.308 7.070 0.225 1.00 41.13 C ATOM 1517 CG LEU A 104 11.493 6.540 -0.956 1.00 10.45 C ATOM 1518 CD1 LEU A 104 10.056 7.031 -0.875 1.00 12.23 C ATOM 1519 CD2 LEU A 104 12.128 6.959 -2.273 1.00 43.33 C ATOM 0 H LEU A 104 13.313 4.569 1.435 1.00 41.23 H new ATOM 0 HA LEU A 104 14.331 6.640 -0.360 1.00 62.35 H new ATOM 0 HB2 LEU A 104 11.708 6.967 1.130 1.00 41.13 H new ATOM 0 HB3 LEU A 104 12.478 8.136 0.074 1.00 41.13 H new ATOM 0 HG LEU A 104 11.487 5.451 -0.909 1.00 10.45 H new ATOM 0 HD11 LEU A 104 9.491 6.644 -1.723 1.00 12.23 H new ATOM 0 HD12 LEU A 104 9.603 6.681 0.053 1.00 12.23 H new ATOM 0 HD13 LEU A 104 10.042 8.121 -0.896 1.00 12.23 H new ATOM 0 HD21 LEU A 104 11.535 6.573 -3.102 1.00 43.33 H new ATOM 0 HD22 LEU A 104 12.165 8.047 -2.329 1.00 43.33 H new ATOM 0 HD23 LEU A 104 13.140 6.558 -2.333 1.00 43.33 H new ATOM 1531 N GLU A 105 15.328 6.240 2.218 1.00 43.53 N ATOM 1532 CA GLU A 105 16.010 6.634 3.445 1.00 42.51 C ATOM 1533 C GLU A 105 16.736 7.964 3.261 1.00 11.22 C ATOM 1534 O GLU A 105 17.388 8.191 2.243 1.00 60.23 O ATOM 1535 CB GLU A 105 17.005 5.553 3.872 1.00 73.11 C ATOM 1536 CG GLU A 105 18.052 5.238 2.817 1.00 1.50 C ATOM 1537 CD GLU A 105 19.464 5.264 3.371 1.00 54.24 C ATOM 1538 OE1 GLU A 105 19.802 4.369 4.173 1.00 71.22 O ATOM 1539 OE2 GLU A 105 20.229 6.179 3.002 1.00 4.13 O ATOM 0 H GLU A 105 15.724 5.419 1.760 1.00 43.53 H new ATOM 0 HA GLU A 105 15.258 6.754 4.225 1.00 42.51 H new ATOM 0 HB2 GLU A 105 17.507 5.873 4.785 1.00 73.11 H new ATOM 0 HB3 GLU A 105 16.457 4.642 4.112 1.00 73.11 H new ATOM 0 HG2 GLU A 105 17.850 4.255 2.392 1.00 1.50 H new ATOM 0 HG3 GLU A 105 17.971 5.959 2.004 1.00 1.50 H new TER 1546 GLU A 105