USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 757 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 22 THR OG1 : rot -96:sc= 0.279 USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -1.19 F(o=-1.4!,f=-0.91) USER MOD Set 2.1: A 18 SER OG : rot -117:sc= 0.138 USER MOD Set 2.2: A 20 CYS SG : rot 140:sc= -0.207 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0466 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 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.279 USER MOD Single : A 26 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.075) USER MOD Single : A 29 THR OG1 : rot -23:sc= 0.526! USER MOD Single : A 30 GLN :FLIP amide:sc= -7.76! C(o=-9.1!,f=-7.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.929 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 35 SER OG : rot -144:sc= 0.761 USER MOD Single : A 36 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.4!) USER MOD Single : A 42 MET CE :methyl -168:sc= -0.0362 (180deg=-0.269) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= -1.08 X(o=-1.1,f=-1.4) USER MOD Single : A 81 SER OG : rot -54:sc= 0.192 USER MOD Single : A 83 SER OG : rot 61:sc= 0.0482 USER MOD Single : A 89 SER OG : rot -42:sc= 1.1 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 20:sc= 0.202 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.992 -0.373 0.700 1.00 44.43 N ATOM 2 CA PRO A 1 1.609 -0.269 -0.626 1.00 50.52 C ATOM 3 C PRO A 1 1.487 -1.561 -1.425 1.00 71.44 C ATOM 4 O PRO A 1 0.856 -2.521 -0.980 1.00 64.42 O ATOM 5 CB PRO A 1 3.077 0.029 -0.312 1.00 42.41 C ATOM 6 CG PRO A 1 3.296 -0.537 1.048 1.00 0.23 C ATOM 7 CD PRO A 1 1.993 -0.372 1.780 1.00 12.41 C ATOM 0 H2 PRO A 1 0.440 -1.229 0.750 1.00 44.43 H new ATOM 0 H3 PRO A 1 0.347 0.406 0.835 1.00 44.43 H new ATOM 0 HA PRO A 1 1.128 0.492 -1.241 1.00 50.52 H new ATOM 0 HB2 PRO A 1 3.740 -0.432 -1.044 1.00 42.41 H new ATOM 0 HB3 PRO A 1 3.276 1.100 -0.332 1.00 42.41 H new ATOM 0 HG2 PRO A 1 3.582 -1.587 0.992 1.00 0.23 H new ATOM 0 HG3 PRO A 1 4.102 -0.014 1.563 1.00 0.23 H new ATOM 0 HD2 PRO A 1 1.823 -1.185 2.486 1.00 12.41 H new ATOM 0 HD3 PRO A 1 1.967 0.556 2.351 1.00 12.41 H new ATOM 15 N LEU A 2 2.094 -1.580 -2.607 1.00 33.50 N ATOM 16 CA LEU A 2 2.053 -2.757 -3.469 1.00 4.22 C ATOM 17 C LEU A 2 3.065 -2.635 -4.604 1.00 52.11 C ATOM 18 O LEU A 2 3.430 -1.531 -5.009 1.00 44.13 O ATOM 19 CB LEU A 2 0.648 -2.946 -4.041 1.00 75.21 C ATOM 20 CG LEU A 2 0.002 -4.311 -3.797 1.00 52.33 C ATOM 21 CD1 LEU A 2 -1.498 -4.242 -4.039 1.00 31.21 C ATOM 22 CD2 LEU A 2 0.639 -5.369 -4.686 1.00 3.22 C ATOM 0 H LEU A 2 2.620 -0.795 -2.990 1.00 33.50 H new ATOM 0 HA LEU A 2 2.313 -3.628 -2.867 1.00 4.22 H new ATOM 0 HB2 LEU A 2 -0.001 -2.179 -3.619 1.00 75.21 H new ATOM 0 HB3 LEU A 2 0.689 -2.773 -5.116 1.00 75.21 H new ATOM 0 HG LEU A 2 0.169 -4.590 -2.757 1.00 52.33 H new ATOM 0 HD11 LEU A 2 -1.941 -5.222 -3.861 1.00 31.21 H new ATOM 0 HD12 LEU A 2 -1.943 -3.514 -3.361 1.00 31.21 H new ATOM 0 HD13 LEU A 2 -1.687 -3.941 -5.069 1.00 31.21 H new ATOM 0 HD21 LEU A 2 0.167 -6.334 -4.499 1.00 3.22 H new ATOM 0 HD22 LEU A 2 0.503 -5.095 -5.732 1.00 3.22 H new ATOM 0 HD23 LEU A 2 1.704 -5.437 -4.465 1.00 3.22 H new ATOM 34 N THR A 3 3.513 -3.777 -5.116 1.00 73.21 N ATOM 35 CA THR A 3 4.481 -3.799 -6.205 1.00 53.14 C ATOM 36 C THR A 3 4.016 -4.710 -7.336 1.00 21.13 C ATOM 37 O THR A 3 3.079 -5.492 -7.170 1.00 44.33 O ATOM 38 CB THR A 3 5.864 -4.269 -5.718 1.00 43.11 C ATOM 39 OG1 THR A 3 6.856 -3.984 -6.711 1.00 61.30 O ATOM 40 CG2 THR A 3 5.854 -5.760 -5.417 1.00 2.01 C ATOM 0 H THR A 3 3.220 -4.699 -4.793 1.00 73.21 H new ATOM 0 HA THR A 3 4.563 -2.777 -6.576 1.00 53.14 H new ATOM 0 HB THR A 3 6.104 -3.731 -4.801 1.00 43.11 H new ATOM 0 HG1 THR A 3 7.733 -4.284 -6.393 1.00 61.30 H new ATOM 0 HG21 THR A 3 6.842 -6.069 -5.075 1.00 2.01 H new ATOM 0 HG22 THR A 3 5.119 -5.969 -4.640 1.00 2.01 H new ATOM 0 HG23 THR A 3 5.594 -6.312 -6.320 1.00 2.01 H new ATOM 48 N ARG A 4 4.677 -4.605 -8.484 1.00 21.12 N ATOM 49 CA ARG A 4 4.331 -5.420 -9.642 1.00 72.01 C ATOM 50 C ARG A 4 5.012 -6.783 -9.571 1.00 24.41 C ATOM 51 O ARG A 4 6.050 -6.953 -8.931 1.00 24.30 O ATOM 52 CB ARG A 4 4.731 -4.705 -10.934 1.00 1.33 C ATOM 53 CG ARG A 4 6.181 -4.248 -10.953 1.00 73.10 C ATOM 54 CD ARG A 4 6.770 -4.324 -12.353 1.00 21.12 C ATOM 55 NE ARG A 4 7.345 -3.049 -12.775 1.00 34.53 N ATOM 56 CZ ARG A 4 7.869 -2.842 -13.978 1.00 14.25 C ATOM 57 NH1 ARG A 4 7.890 -3.819 -14.873 1.00 31.42 N ATOM 58 NH2 ARG A 4 8.372 -1.654 -14.287 1.00 3.20 N ATOM 0 H ARG A 4 5.455 -3.964 -8.637 1.00 21.12 H new ATOM 0 HA ARG A 4 3.252 -5.572 -9.638 1.00 72.01 H new ATOM 0 HB2 ARG A 4 4.558 -5.373 -11.778 1.00 1.33 H new ATOM 0 HB3 ARG A 4 4.084 -3.839 -11.076 1.00 1.33 H new ATOM 0 HG2 ARG A 4 6.246 -3.224 -10.585 1.00 73.10 H new ATOM 0 HG3 ARG A 4 6.768 -4.868 -10.276 1.00 73.10 H new ATOM 0 HD2 ARG A 4 7.539 -5.096 -12.381 1.00 21.12 H new ATOM 0 HD3 ARG A 4 5.993 -4.622 -13.057 1.00 21.12 H new ATOM 0 HE ARG A 4 7.344 -2.276 -12.110 1.00 34.53 H new ATOM 0 HH11 ARG A 4 7.503 -4.733 -14.639 1.00 31.42 H new ATOM 0 HH12 ARG A 4 8.293 -3.657 -15.796 1.00 31.42 H new ATOM 0 HH21 ARG A 4 8.356 -0.899 -13.601 1.00 3.20 H new ATOM 0 HH22 ARG A 4 8.774 -1.495 -15.211 1.00 3.20 H new ATOM 72 N PRO A 5 4.416 -7.779 -10.243 1.00 31.32 N ATOM 73 CA PRO A 5 4.948 -9.145 -10.271 1.00 52.01 C ATOM 74 C PRO A 5 6.241 -9.247 -11.073 1.00 53.11 C ATOM 75 O PRO A 5 6.238 -9.696 -12.220 1.00 14.53 O ATOM 76 CB PRO A 5 3.833 -9.946 -10.949 1.00 44.33 C ATOM 77 CG PRO A 5 3.102 -8.948 -11.779 1.00 74.44 C ATOM 78 CD PRO A 5 3.176 -7.649 -11.027 1.00 4.31 C ATOM 0 HA PRO A 5 5.203 -9.504 -9.274 1.00 52.01 H new ATOM 0 HB2 PRO A 5 4.240 -10.750 -11.563 1.00 44.33 H new ATOM 0 HB3 PRO A 5 3.174 -10.408 -10.214 1.00 44.33 H new ATOM 0 HG2 PRO A 5 3.556 -8.854 -12.766 1.00 74.44 H new ATOM 0 HG3 PRO A 5 2.066 -9.252 -11.932 1.00 74.44 H new ATOM 0 HD2 PRO A 5 3.216 -6.795 -11.703 1.00 4.31 H new ATOM 0 HD3 PRO A 5 2.307 -7.507 -10.384 1.00 4.31 H new ATOM 86 N TYR A 6 7.344 -8.829 -10.463 1.00 41.43 N ATOM 87 CA TYR A 6 8.644 -8.871 -11.122 1.00 23.12 C ATOM 88 C TYR A 6 9.647 -9.673 -10.297 1.00 53.21 C ATOM 89 O TYR A 6 9.775 -9.473 -9.088 1.00 61.34 O ATOM 90 CB TYR A 6 9.171 -7.453 -11.348 1.00 65.22 C ATOM 91 CG TYR A 6 10.264 -7.373 -12.390 1.00 41.53 C ATOM 92 CD1 TYR A 6 10.018 -6.821 -13.642 1.00 10.03 C ATOM 93 CD2 TYR A 6 11.542 -7.849 -12.124 1.00 51.41 C ATOM 94 CE1 TYR A 6 11.013 -6.746 -14.597 1.00 52.33 C ATOM 95 CE2 TYR A 6 12.543 -7.776 -13.073 1.00 61.11 C ATOM 96 CZ TYR A 6 12.274 -7.224 -14.308 1.00 73.11 C ATOM 97 OH TYR A 6 13.268 -7.151 -15.257 1.00 21.45 O ATOM 0 H TYR A 6 7.364 -8.457 -9.513 1.00 41.43 H new ATOM 0 HA TYR A 6 8.518 -9.363 -12.087 1.00 23.12 H new ATOM 0 HB2 TYR A 6 8.344 -6.811 -11.651 1.00 65.22 H new ATOM 0 HB3 TYR A 6 9.550 -7.061 -10.405 1.00 65.22 H new ATOM 0 HD1 TYR A 6 9.032 -6.444 -13.872 1.00 10.03 H new ATOM 0 HD2 TYR A 6 11.756 -8.283 -11.159 1.00 51.41 H new ATOM 0 HE1 TYR A 6 10.805 -6.315 -15.565 1.00 52.33 H new ATOM 0 HE2 TYR A 6 13.531 -8.149 -12.849 1.00 61.11 H new ATOM 0 HH TYR A 6 14.096 -7.530 -14.894 1.00 21.45 H new ATOM 107 N LEU A 7 10.356 -10.580 -10.959 1.00 72.32 N ATOM 108 CA LEU A 7 11.349 -11.413 -10.289 1.00 75.33 C ATOM 109 C LEU A 7 12.753 -11.102 -10.798 1.00 34.43 C ATOM 110 O LEU A 7 12.973 -10.970 -12.001 1.00 22.42 O ATOM 111 CB LEU A 7 11.031 -12.894 -10.507 1.00 3.22 C ATOM 112 CG LEU A 7 10.679 -13.302 -11.938 1.00 11.43 C ATOM 113 CD1 LEU A 7 11.227 -14.686 -12.249 1.00 2.33 C ATOM 114 CD2 LEU A 7 9.172 -13.263 -12.148 1.00 22.35 C ATOM 0 H LEU A 7 10.262 -10.758 -11.959 1.00 72.32 H new ATOM 0 HA LEU A 7 11.312 -11.193 -9.222 1.00 75.33 H new ATOM 0 HB2 LEU A 7 11.891 -13.481 -10.184 1.00 3.22 H new ATOM 0 HB3 LEU A 7 10.198 -13.165 -9.858 1.00 3.22 H new ATOM 0 HG LEU A 7 11.140 -12.590 -12.622 1.00 11.43 H new ATOM 0 HD11 LEU A 7 10.967 -14.959 -13.272 1.00 2.33 H new ATOM 0 HD12 LEU A 7 12.312 -14.681 -12.140 1.00 2.33 H new ATOM 0 HD13 LEU A 7 10.796 -15.411 -11.559 1.00 2.33 H new ATOM 0 HD21 LEU A 7 8.940 -13.556 -13.172 1.00 22.35 H new ATOM 0 HD22 LEU A 7 8.690 -13.952 -11.455 1.00 22.35 H new ATOM 0 HD23 LEU A 7 8.806 -12.252 -11.968 1.00 22.35 H new ATOM 126 N GLY A 8 13.700 -10.989 -9.872 1.00 2.41 N ATOM 127 CA GLY A 8 15.072 -10.696 -10.246 1.00 34.30 C ATOM 128 C GLY A 8 16.059 -11.675 -9.642 1.00 34.32 C ATOM 129 O GLY A 8 17.255 -11.394 -9.564 1.00 14.22 O ATOM 0 H GLY A 8 13.542 -11.095 -8.870 1.00 2.41 H new ATOM 0 HA2 GLY A 8 15.162 -10.718 -11.332 1.00 34.30 H new ATOM 0 HA3 GLY A 8 15.325 -9.685 -9.925 1.00 34.30 H new ATOM 133 N PHE A 9 15.558 -12.828 -9.211 1.00 74.42 N ATOM 134 CA PHE A 9 16.403 -13.852 -8.608 1.00 4.30 C ATOM 135 C PHE A 9 15.842 -15.246 -8.872 1.00 4.01 C ATOM 136 O PHE A 9 14.738 -15.393 -9.396 1.00 21.43 O ATOM 137 CB PHE A 9 16.529 -13.617 -7.101 1.00 53.12 C ATOM 138 CG PHE A 9 15.267 -13.913 -6.341 1.00 43.15 C ATOM 139 CD1 PHE A 9 14.129 -13.148 -6.538 1.00 32.10 C ATOM 140 CD2 PHE A 9 15.220 -14.956 -5.430 1.00 42.33 C ATOM 141 CE1 PHE A 9 12.966 -13.418 -5.841 1.00 22.03 C ATOM 142 CE2 PHE A 9 14.061 -15.231 -4.731 1.00 15.44 C ATOM 143 CZ PHE A 9 12.933 -14.460 -4.935 1.00 75.11 C ATOM 0 H PHE A 9 14.570 -13.077 -9.268 1.00 74.42 H new ATOM 0 HA PHE A 9 17.391 -13.786 -9.063 1.00 4.30 H new ATOM 0 HB2 PHE A 9 17.334 -14.240 -6.710 1.00 53.12 H new ATOM 0 HB3 PHE A 9 16.815 -12.580 -6.926 1.00 53.12 H new ATOM 0 HD1 PHE A 9 14.151 -12.331 -7.244 1.00 32.10 H new ATOM 0 HD2 PHE A 9 16.099 -15.561 -5.265 1.00 42.33 H new ATOM 0 HE1 PHE A 9 12.085 -12.815 -6.005 1.00 22.03 H new ATOM 0 HE2 PHE A 9 14.037 -16.048 -4.025 1.00 15.44 H new ATOM 0 HZ PHE A 9 12.027 -14.672 -4.387 1.00 75.11 H new ATOM 153 N ARG A 10 16.612 -16.266 -8.506 1.00 12.14 N ATOM 154 CA ARG A 10 16.193 -17.648 -8.704 1.00 64.30 C ATOM 155 C ARG A 10 15.977 -18.348 -7.366 1.00 21.35 C ATOM 156 O ARG A 10 16.540 -17.949 -6.346 1.00 64.41 O ATOM 157 CB ARG A 10 17.238 -18.407 -9.525 1.00 53.34 C ATOM 158 CG ARG A 10 18.657 -18.244 -9.006 1.00 52.41 C ATOM 159 CD ARG A 10 19.551 -17.567 -10.033 1.00 4.23 C ATOM 160 NE ARG A 10 18.958 -16.336 -10.549 1.00 3.03 N ATOM 161 CZ ARG A 10 19.315 -15.774 -11.698 1.00 72.24 C ATOM 162 NH1 ARG A 10 20.256 -16.330 -12.448 1.00 64.40 N ATOM 163 NH2 ARG A 10 18.729 -14.654 -12.101 1.00 14.23 N ATOM 0 H ARG A 10 17.529 -16.161 -8.071 1.00 12.14 H new ATOM 0 HA ARG A 10 15.248 -17.640 -9.247 1.00 64.30 H new ATOM 0 HB2 ARG A 10 16.982 -19.467 -9.532 1.00 53.34 H new ATOM 0 HB3 ARG A 10 17.196 -18.062 -10.558 1.00 53.34 H new ATOM 0 HG2 ARG A 10 18.645 -17.656 -8.088 1.00 52.41 H new ATOM 0 HG3 ARG A 10 19.067 -19.221 -8.753 1.00 52.41 H new ATOM 0 HD2 ARG A 10 20.517 -17.342 -9.581 1.00 4.23 H new ATOM 0 HD3 ARG A 10 19.738 -18.253 -10.859 1.00 4.23 H new ATOM 0 HE ARG A 10 18.230 -15.883 -9.997 1.00 3.03 H new ATOM 0 HH11 ARG A 10 20.708 -17.192 -12.143 1.00 64.40 H new ATOM 0 HH12 ARG A 10 20.528 -15.896 -13.330 1.00 64.40 H new ATOM 0 HH21 ARG A 10 18.003 -14.223 -11.528 1.00 14.23 H new ATOM 0 HH22 ARG A 10 19.004 -14.223 -12.984 1.00 14.23 H new ATOM 177 N VAL A 11 15.157 -19.394 -7.376 1.00 73.22 N ATOM 178 CA VAL A 11 14.866 -20.150 -6.164 1.00 21.21 C ATOM 179 C VAL A 11 14.927 -21.651 -6.424 1.00 73.15 C ATOM 180 O VAL A 11 14.480 -22.129 -7.467 1.00 12.03 O ATOM 181 CB VAL A 11 13.478 -19.794 -5.599 1.00 51.05 C ATOM 182 CG1 VAL A 11 13.497 -18.410 -4.969 1.00 11.11 C ATOM 183 CG2 VAL A 11 12.422 -19.877 -6.691 1.00 70.04 C ATOM 0 H VAL A 11 14.682 -19.737 -8.211 1.00 73.22 H new ATOM 0 HA VAL A 11 15.628 -19.880 -5.433 1.00 21.21 H new ATOM 0 HB VAL A 11 13.224 -20.516 -4.823 1.00 51.05 H new ATOM 0 HG11 VAL A 11 12.508 -18.176 -4.575 1.00 11.11 H new ATOM 0 HG12 VAL A 11 14.225 -18.390 -4.158 1.00 11.11 H new ATOM 0 HG13 VAL A 11 13.772 -17.671 -5.722 1.00 11.11 H new ATOM 0 HG21 VAL A 11 11.447 -19.622 -6.275 1.00 70.04 H new ATOM 0 HG22 VAL A 11 12.669 -19.178 -7.490 1.00 70.04 H new ATOM 0 HG23 VAL A 11 12.392 -20.890 -7.092 1.00 70.04 H new ATOM 193 N ALA A 12 15.483 -22.390 -5.470 1.00 15.13 N ATOM 194 CA ALA A 12 15.600 -23.837 -5.595 1.00 35.45 C ATOM 195 C ALA A 12 14.917 -24.546 -4.429 1.00 45.21 C ATOM 196 O ALA A 12 15.261 -24.324 -3.268 1.00 23.51 O ATOM 197 CB ALA A 12 17.064 -24.243 -5.678 1.00 35.34 C ATOM 0 H ALA A 12 15.860 -22.010 -4.602 1.00 15.13 H new ATOM 0 HA ALA A 12 15.098 -24.139 -6.514 1.00 35.45 H new ATOM 0 HB1 ALA A 12 17.136 -25.327 -5.771 1.00 35.34 H new ATOM 0 HB2 ALA A 12 17.523 -23.773 -6.547 1.00 35.34 H new ATOM 0 HB3 ALA A 12 17.583 -23.921 -4.775 1.00 35.34 H new ATOM 203 N VAL A 13 13.948 -25.398 -4.746 1.00 62.42 N ATOM 204 CA VAL A 13 13.218 -26.140 -3.725 1.00 52.21 C ATOM 205 C VAL A 13 14.014 -27.350 -3.250 1.00 74.31 C ATOM 206 O VAL A 13 14.574 -28.093 -4.055 1.00 50.12 O ATOM 207 CB VAL A 13 11.848 -26.612 -4.247 1.00 32.43 C ATOM 208 CG1 VAL A 13 12.023 -27.662 -5.333 1.00 62.24 C ATOM 209 CG2 VAL A 13 11.000 -27.152 -3.104 1.00 45.04 C ATOM 0 H VAL A 13 13.650 -25.592 -5.702 1.00 62.42 H new ATOM 0 HA VAL A 13 13.064 -25.459 -2.888 1.00 52.21 H new ATOM 0 HB VAL A 13 11.330 -25.757 -4.682 1.00 32.43 H new ATOM 0 HG11 VAL A 13 11.044 -27.983 -5.689 1.00 62.24 H new ATOM 0 HG12 VAL A 13 12.590 -27.237 -6.162 1.00 62.24 H new ATOM 0 HG13 VAL A 13 12.561 -28.519 -4.927 1.00 62.24 H new ATOM 0 HG21 VAL A 13 10.035 -27.481 -3.491 1.00 45.04 H new ATOM 0 HG22 VAL A 13 11.511 -27.995 -2.638 1.00 45.04 H new ATOM 0 HG23 VAL A 13 10.845 -26.367 -2.363 1.00 45.04 H new ATOM 219 N GLY A 14 14.058 -27.544 -1.935 1.00 45.43 N ATOM 220 CA GLY A 14 14.788 -28.666 -1.375 1.00 70.11 C ATOM 221 C GLY A 14 14.432 -28.923 0.076 1.00 42.31 C ATOM 222 O GLY A 14 13.376 -28.500 0.547 1.00 4.22 O ATOM 0 H GLY A 14 13.601 -26.944 -1.248 1.00 45.43 H new ATOM 0 HA2 GLY A 14 14.579 -29.561 -1.961 1.00 70.11 H new ATOM 0 HA3 GLY A 14 15.858 -28.476 -1.455 1.00 70.11 H new ATOM 226 N ARG A 15 15.314 -29.619 0.786 1.00 41.14 N ATOM 227 CA ARG A 15 15.086 -29.934 2.191 1.00 41.13 C ATOM 228 C ARG A 15 16.300 -29.560 3.036 1.00 43.32 C ATOM 229 O ARG A 15 17.441 -29.671 2.585 1.00 34.14 O ATOM 230 CB ARG A 15 14.774 -31.422 2.358 1.00 62.24 C ATOM 231 CG ARG A 15 13.792 -31.958 1.329 1.00 52.31 C ATOM 232 CD ARG A 15 12.420 -31.320 1.484 1.00 31.41 C ATOM 233 NE ARG A 15 11.795 -31.046 0.193 1.00 14.01 N ATOM 234 CZ ARG A 15 11.233 -31.981 -0.565 1.00 12.01 C ATOM 235 NH1 ARG A 15 11.218 -33.244 -0.163 1.00 32.41 N ATOM 236 NH2 ARG A 15 10.684 -31.653 -1.728 1.00 11.14 N ATOM 0 H ARG A 15 16.193 -29.975 0.411 1.00 41.14 H new ATOM 0 HA ARG A 15 14.232 -29.350 2.534 1.00 41.13 H new ATOM 0 HB2 ARG A 15 15.703 -31.989 2.291 1.00 62.24 H new ATOM 0 HB3 ARG A 15 14.369 -31.590 3.356 1.00 62.24 H new ATOM 0 HG2 ARG A 15 14.173 -31.766 0.326 1.00 52.31 H new ATOM 0 HG3 ARG A 15 13.706 -33.039 1.435 1.00 52.31 H new ATOM 0 HD2 ARG A 15 11.777 -31.981 2.065 1.00 31.41 H new ATOM 0 HD3 ARG A 15 12.514 -30.391 2.046 1.00 31.41 H new ATOM 0 HE ARG A 15 11.790 -30.084 -0.145 1.00 14.01 H new ATOM 0 HH11 ARG A 15 11.639 -33.500 0.730 1.00 32.41 H new ATOM 0 HH12 ARG A 15 10.786 -33.960 -0.747 1.00 32.41 H new ATOM 0 HH21 ARG A 15 10.693 -30.682 -2.041 1.00 11.14 H new ATOM 0 HH22 ARG A 15 10.253 -32.372 -2.309 1.00 11.14 H new ATOM 250 N ASP A 16 16.047 -29.116 4.262 1.00 51.42 N ATOM 251 CA ASP A 16 17.119 -28.725 5.170 1.00 32.44 C ATOM 252 C ASP A 16 17.431 -29.847 6.156 1.00 63.23 C ATOM 253 O ASP A 16 16.876 -30.942 6.062 1.00 42.12 O ATOM 254 CB ASP A 16 16.735 -27.455 5.930 1.00 10.41 C ATOM 255 CG ASP A 16 15.805 -26.562 5.133 1.00 52.14 C ATOM 256 OD1 ASP A 16 14.609 -26.904 5.016 1.00 0.32 O ATOM 257 OD2 ASP A 16 16.272 -25.521 4.626 1.00 62.15 O ATOM 0 H ASP A 16 15.109 -29.018 4.650 1.00 51.42 H new ATOM 0 HA ASP A 16 18.011 -28.528 4.576 1.00 32.44 H new ATOM 0 HB2 ASP A 16 16.255 -27.729 6.869 1.00 10.41 H new ATOM 0 HB3 ASP A 16 17.638 -26.900 6.184 1.00 10.41 H new ATOM 262 N SER A 17 18.324 -29.567 7.100 1.00 63.34 N ATOM 263 CA SER A 17 18.715 -30.554 8.100 1.00 73.35 C ATOM 264 C SER A 17 17.571 -30.822 9.073 1.00 22.44 C ATOM 265 O SER A 17 17.481 -31.901 9.660 1.00 52.11 O ATOM 266 CB SER A 17 19.950 -30.075 8.865 1.00 73.22 C ATOM 267 OG SER A 17 20.590 -31.153 9.526 1.00 13.21 O ATOM 0 H SER A 17 18.790 -28.665 7.193 1.00 63.34 H new ATOM 0 HA SER A 17 18.955 -31.483 7.584 1.00 73.35 H new ATOM 0 HB2 SER A 17 20.648 -29.601 8.175 1.00 73.22 H new ATOM 0 HB3 SER A 17 19.659 -29.318 9.594 1.00 73.22 H new ATOM 0 HG SER A 17 21.377 -30.821 10.006 1.00 13.21 H new ATOM 273 N SER A 18 16.700 -29.833 9.240 1.00 11.41 N ATOM 274 CA SER A 18 15.564 -29.959 10.145 1.00 12.24 C ATOM 275 C SER A 18 14.384 -30.629 9.447 1.00 4.10 C ATOM 276 O SER A 18 13.794 -31.573 9.970 1.00 54.12 O ATOM 277 CB SER A 18 15.146 -28.583 10.669 1.00 65.11 C ATOM 278 OG SER A 18 13.816 -28.605 11.156 1.00 52.35 O ATOM 0 H SER A 18 16.759 -28.935 8.760 1.00 11.41 H new ATOM 0 HA SER A 18 15.869 -30.583 10.985 1.00 12.24 H new ATOM 0 HB2 SER A 18 15.823 -28.273 11.465 1.00 65.11 H new ATOM 0 HB3 SER A 18 15.232 -27.845 9.871 1.00 65.11 H new ATOM 0 HG SER A 18 13.260 -28.004 10.617 1.00 52.35 H new ATOM 284 N GLY A 19 14.047 -30.132 8.260 1.00 23.45 N ATOM 285 CA GLY A 19 12.940 -30.694 7.509 1.00 43.03 C ATOM 286 C GLY A 19 11.686 -29.847 7.603 1.00 25.44 C ATOM 287 O GLY A 19 10.642 -30.321 8.054 1.00 44.31 O ATOM 0 H GLY A 19 14.521 -29.351 7.806 1.00 23.45 H new ATOM 0 HA2 GLY A 19 13.229 -30.795 6.463 1.00 43.03 H new ATOM 0 HA3 GLY A 19 12.726 -31.697 7.879 1.00 43.03 H new ATOM 291 N CYS A 20 11.789 -28.593 7.180 1.00 54.41 N ATOM 292 CA CYS A 20 10.654 -27.677 7.221 1.00 11.14 C ATOM 293 C CYS A 20 10.203 -27.306 5.812 1.00 12.05 C ATOM 294 O CYS A 20 9.184 -26.638 5.630 1.00 62.31 O ATOM 295 CB CYS A 20 11.020 -26.414 8.002 1.00 13.30 C ATOM 296 SG CYS A 20 11.180 -26.668 9.785 1.00 34.00 S ATOM 0 H CYS A 20 12.646 -28.187 6.805 1.00 54.41 H new ATOM 0 HA CYS A 20 9.830 -28.181 7.725 1.00 11.14 H new ATOM 0 HB2 CYS A 20 11.961 -26.021 7.616 1.00 13.30 H new ATOM 0 HB3 CYS A 20 10.259 -25.655 7.821 1.00 13.30 H new ATOM 0 HG CYS A 20 12.193 -25.987 10.231 1.00 34.00 H new ATOM 302 N THR A 21 10.969 -27.742 4.817 1.00 31.02 N ATOM 303 CA THR A 21 10.650 -27.454 3.425 1.00 43.24 C ATOM 304 C THR A 21 10.730 -25.958 3.140 1.00 24.34 C ATOM 305 O THR A 21 9.746 -25.234 3.288 1.00 13.51 O ATOM 306 CB THR A 21 9.244 -27.961 3.054 1.00 52.34 C ATOM 307 OG1 THR A 21 8.979 -29.201 3.719 1.00 53.32 O ATOM 308 CG2 THR A 21 9.116 -28.149 1.550 1.00 53.35 C ATOM 0 H THR A 21 11.815 -28.296 4.950 1.00 31.02 H new ATOM 0 HA THR A 21 11.389 -27.977 2.817 1.00 43.24 H new ATOM 0 HB THR A 21 8.517 -27.215 3.374 1.00 52.34 H new ATOM 0 HG1 THR A 21 8.082 -29.516 3.479 1.00 53.32 H new ATOM 0 HG21 THR A 21 8.115 -28.508 1.312 1.00 53.35 H new ATOM 0 HG22 THR A 21 9.289 -27.197 1.048 1.00 53.35 H new ATOM 0 HG23 THR A 21 9.852 -28.877 1.210 1.00 53.35 H new ATOM 316 N THR A 22 11.910 -25.501 2.731 1.00 55.42 N ATOM 317 CA THR A 22 12.118 -24.091 2.426 1.00 2.22 C ATOM 318 C THR A 22 13.035 -23.919 1.221 1.00 42.34 C ATOM 319 O THR A 22 13.897 -24.759 0.958 1.00 3.44 O ATOM 320 CB THR A 22 12.722 -23.340 3.628 1.00 44.13 C ATOM 321 OG1 THR A 22 13.410 -22.167 3.177 1.00 30.43 O ATOM 322 CG2 THR A 22 13.684 -24.234 4.397 1.00 54.43 C ATOM 0 H THR A 22 12.735 -26.087 2.604 1.00 55.42 H new ATOM 0 HA THR A 22 11.139 -23.669 2.197 1.00 2.22 H new ATOM 0 HB THR A 22 11.909 -23.051 4.294 1.00 44.13 H new ATOM 0 HG1 THR A 22 14.365 -22.364 3.083 1.00 30.43 H new ATOM 0 HG21 THR A 22 14.098 -23.682 5.241 1.00 54.43 H new ATOM 0 HG22 THR A 22 13.151 -25.112 4.763 1.00 54.43 H new ATOM 0 HG23 THR A 22 14.493 -24.550 3.738 1.00 54.43 H new ATOM 330 N LEU A 23 12.845 -22.826 0.490 1.00 1.30 N ATOM 331 CA LEU A 23 13.657 -22.543 -0.689 1.00 14.32 C ATOM 332 C LEU A 23 14.836 -21.643 -0.335 1.00 2.14 C ATOM 333 O LEU A 23 14.822 -20.958 0.688 1.00 25.44 O ATOM 334 CB LEU A 23 12.803 -21.881 -1.773 1.00 25.53 C ATOM 335 CG LEU A 23 11.727 -22.761 -2.409 1.00 71.23 C ATOM 336 CD1 LEU A 23 10.525 -22.887 -1.486 1.00 3.14 C ATOM 337 CD2 LEU A 23 11.308 -22.198 -3.759 1.00 75.13 C ATOM 0 H LEU A 23 12.136 -22.121 0.693 1.00 1.30 H new ATOM 0 HA LEU A 23 14.046 -23.488 -1.067 1.00 14.32 H new ATOM 0 HB2 LEU A 23 12.319 -21.005 -1.342 1.00 25.53 H new ATOM 0 HB3 LEU A 23 13.465 -21.524 -2.562 1.00 25.53 H new ATOM 0 HG LEU A 23 12.144 -23.756 -2.565 1.00 71.23 H new ATOM 0 HD11 LEU A 23 9.770 -23.517 -1.956 1.00 3.14 H new ATOM 0 HD12 LEU A 23 10.836 -23.336 -0.543 1.00 3.14 H new ATOM 0 HD13 LEU A 23 10.106 -21.899 -1.297 1.00 3.14 H new ATOM 0 HD21 LEU A 23 10.541 -22.837 -4.198 1.00 75.13 H new ATOM 0 HD22 LEU A 23 10.910 -21.192 -3.626 1.00 75.13 H new ATOM 0 HD23 LEU A 23 12.172 -22.161 -4.422 1.00 75.13 H new ATOM 349 N SER A 24 15.855 -21.648 -1.189 1.00 12.44 N ATOM 350 CA SER A 24 17.043 -20.833 -0.965 1.00 44.01 C ATOM 351 C SER A 24 17.237 -19.832 -2.100 1.00 11.32 C ATOM 352 O SER A 24 16.872 -20.098 -3.246 1.00 3.54 O ATOM 353 CB SER A 24 18.281 -21.723 -0.839 1.00 23.13 C ATOM 354 OG SER A 24 19.221 -21.164 0.063 1.00 62.53 O ATOM 0 H SER A 24 15.881 -22.207 -2.042 1.00 12.44 H new ATOM 0 HA SER A 24 16.904 -20.280 -0.036 1.00 44.01 H new ATOM 0 HB2 SER A 24 17.987 -22.714 -0.494 1.00 23.13 H new ATOM 0 HB3 SER A 24 18.743 -21.850 -1.818 1.00 23.13 H new ATOM 0 HG SER A 24 20.002 -21.752 0.127 1.00 62.53 H new ATOM 360 N ILE A 25 17.813 -18.680 -1.772 1.00 52.12 N ATOM 361 CA ILE A 25 18.056 -17.639 -2.763 1.00 50.01 C ATOM 362 C ILE A 25 19.460 -17.753 -3.347 1.00 2.34 C ATOM 363 O ILE A 25 20.439 -17.879 -2.612 1.00 3.02 O ATOM 364 CB ILE A 25 17.875 -16.234 -2.159 1.00 44.32 C ATOM 365 CG1 ILE A 25 16.530 -16.134 -1.438 1.00 12.12 C ATOM 366 CG2 ILE A 25 17.980 -15.173 -3.245 1.00 25.20 C ATOM 367 CD1 ILE A 25 16.631 -16.330 0.059 1.00 74.03 C ATOM 0 H ILE A 25 18.120 -18.444 -0.828 1.00 52.12 H new ATOM 0 HA ILE A 25 17.323 -17.781 -3.557 1.00 50.01 H new ATOM 0 HB ILE A 25 18.669 -16.062 -1.432 1.00 44.32 H new ATOM 0 HG12 ILE A 25 16.091 -15.157 -1.640 1.00 12.12 H new ATOM 0 HG13 ILE A 25 15.850 -16.880 -1.849 1.00 12.12 H new ATOM 0 HG21 ILE A 25 17.850 -14.185 -2.803 1.00 25.20 H new ATOM 0 HG22 ILE A 25 18.960 -15.232 -3.718 1.00 25.20 H new ATOM 0 HG23 ILE A 25 17.205 -15.340 -3.993 1.00 25.20 H new ATOM 0 HD11 ILE A 25 15.640 -16.246 0.505 1.00 74.03 H new ATOM 0 HD12 ILE A 25 17.041 -17.318 0.270 1.00 74.03 H new ATOM 0 HD13 ILE A 25 17.285 -15.568 0.482 1.00 74.03 H new ATOM 379 N GLN A 26 19.550 -17.705 -4.672 1.00 20.22 N ATOM 380 CA GLN A 26 20.835 -17.802 -5.354 1.00 2.12 C ATOM 381 C GLN A 26 21.264 -16.445 -5.902 1.00 10.21 C ATOM 382 O GLN A 26 22.446 -16.211 -6.150 1.00 63.21 O ATOM 383 CB GLN A 26 20.758 -18.823 -6.490 1.00 52.23 C ATOM 384 CG GLN A 26 21.326 -20.184 -6.125 1.00 22.54 C ATOM 385 CD GLN A 26 20.768 -21.300 -6.986 1.00 63.21 C ATOM 386 OE1 GLN A 26 21.518 -22.088 -7.564 1.00 11.02 O ATOM 387 NE2 GLN A 26 19.446 -21.374 -7.077 1.00 14.43 N ATOM 0 H GLN A 26 18.749 -17.600 -5.294 1.00 20.22 H new ATOM 0 HA GLN A 26 21.579 -18.132 -4.629 1.00 2.12 H new ATOM 0 HB2 GLN A 26 19.717 -18.942 -6.790 1.00 52.23 H new ATOM 0 HB3 GLN A 26 21.297 -18.434 -7.354 1.00 52.23 H new ATOM 0 HG2 GLN A 26 22.411 -20.160 -6.227 1.00 22.54 H new ATOM 0 HG3 GLN A 26 21.109 -20.395 -5.078 1.00 22.54 H new ATOM 0 HE21 GLN A 26 18.862 -20.700 -6.581 1.00 14.43 H new ATOM 0 HE22 GLN A 26 19.014 -22.105 -7.643 1.00 14.43 H new ATOM 396 N GLU A 27 20.295 -15.554 -6.089 1.00 33.25 N ATOM 397 CA GLU A 27 20.573 -14.221 -6.609 1.00 3.23 C ATOM 398 C GLU A 27 20.255 -13.153 -5.566 1.00 52.33 C ATOM 399 O GLU A 27 20.013 -13.461 -4.399 1.00 53.23 O ATOM 400 CB GLU A 27 19.762 -13.966 -7.881 1.00 10.43 C ATOM 401 CG GLU A 27 20.606 -13.513 -9.060 1.00 70.24 C ATOM 402 CD GLU A 27 21.464 -14.628 -9.625 1.00 62.34 C ATOM 403 OE1 GLU A 27 21.792 -15.565 -8.868 1.00 23.52 O ATOM 404 OE2 GLU A 27 21.808 -14.564 -10.824 1.00 71.01 O ATOM 0 H GLU A 27 19.311 -15.732 -5.888 1.00 33.25 H new ATOM 0 HA GLU A 27 21.635 -14.166 -6.848 1.00 3.23 H new ATOM 0 HB2 GLU A 27 19.233 -14.879 -8.153 1.00 10.43 H new ATOM 0 HB3 GLU A 27 19.006 -13.209 -7.674 1.00 10.43 H new ATOM 0 HG2 GLU A 27 19.953 -13.129 -9.844 1.00 70.24 H new ATOM 0 HG3 GLU A 27 21.247 -12.689 -8.748 1.00 70.24 H new ATOM 411 N VAL A 28 20.258 -11.895 -5.997 1.00 14.15 N ATOM 412 CA VAL A 28 19.969 -10.780 -5.102 1.00 33.40 C ATOM 413 C VAL A 28 18.699 -10.051 -5.525 1.00 50.45 C ATOM 414 O VAL A 28 18.609 -9.531 -6.638 1.00 63.15 O ATOM 415 CB VAL A 28 21.136 -9.776 -5.062 1.00 32.03 C ATOM 416 CG1 VAL A 28 21.000 -8.847 -3.865 1.00 23.54 C ATOM 417 CG2 VAL A 28 22.468 -10.509 -5.030 1.00 63.21 C ATOM 0 H VAL A 28 20.457 -11.623 -6.960 1.00 14.15 H new ATOM 0 HA VAL A 28 19.828 -11.201 -4.107 1.00 33.40 H new ATOM 0 HB VAL A 28 21.103 -9.170 -5.967 1.00 32.03 H new ATOM 0 HG11 VAL A 28 21.833 -8.145 -3.853 1.00 23.54 H new ATOM 0 HG12 VAL A 28 20.062 -8.296 -3.937 1.00 23.54 H new ATOM 0 HG13 VAL A 28 21.007 -9.434 -2.946 1.00 23.54 H new ATOM 0 HG21 VAL A 28 23.282 -9.784 -5.002 1.00 63.21 H new ATOM 0 HG22 VAL A 28 22.514 -11.141 -4.143 1.00 63.21 H new ATOM 0 HG23 VAL A 28 22.564 -11.128 -5.922 1.00 63.21 H new ATOM 427 N THR A 29 17.717 -10.014 -4.630 1.00 21.21 N ATOM 428 CA THR A 29 16.451 -9.349 -4.910 1.00 42.32 C ATOM 429 C THR A 29 16.179 -8.238 -3.902 1.00 50.03 C ATOM 430 O THR A 29 15.250 -7.449 -4.072 1.00 1.35 O ATOM 431 CB THR A 29 15.276 -10.345 -4.889 1.00 42.44 C ATOM 432 OG1 THR A 29 14.037 -9.644 -5.043 1.00 41.42 O ATOM 433 CG2 THR A 29 15.260 -11.135 -3.590 1.00 13.14 C ATOM 0 H THR A 29 17.775 -10.437 -3.704 1.00 21.21 H new ATOM 0 HA THR A 29 16.534 -8.918 -5.908 1.00 42.32 H new ATOM 0 HB THR A 29 15.404 -11.042 -5.717 1.00 42.44 H new ATOM 0 HG1 THR A 29 14.151 -8.712 -4.762 1.00 41.42 H new ATOM 0 HG21 THR A 29 14.422 -11.832 -3.598 1.00 13.14 H new ATOM 0 HG22 THR A 29 16.193 -11.690 -3.490 1.00 13.14 H new ATOM 0 HG23 THR A 29 15.154 -10.450 -2.749 1.00 13.14 H new ATOM 441 N GLN A 30 16.995 -8.183 -2.855 1.00 0.23 N ATOM 442 CA GLN A 30 16.841 -7.167 -1.820 1.00 31.55 C ATOM 443 C GLN A 30 17.484 -5.852 -2.247 1.00 31.30 C ATOM 444 O GLN A 30 17.473 -4.872 -1.502 1.00 4.04 O ATOM 445 CB GLN A 30 17.461 -7.649 -0.507 1.00 30.13 C ATOM 446 CG GLN A 30 16.915 -8.985 -0.030 1.00 70.42 C ATOM 447 CD GLN A 30 15.794 -8.832 0.978 1.00 12.55 C ATOM 448 OE1 GLN A 30 15.664 -9.805 1.873 1.00 42.24 O flip ATOM 449 NE2 GLN A 30 15.052 -7.849 0.955 1.00 51.44 N flip ATOM 0 H GLN A 30 17.769 -8.829 -2.701 1.00 0.23 H new ATOM 0 HA GLN A 30 15.775 -6.996 -1.670 1.00 31.55 H new ATOM 0 HB2 GLN A 30 18.540 -7.732 -0.634 1.00 30.13 H new ATOM 0 HB3 GLN A 30 17.287 -6.899 0.264 1.00 30.13 H new ATOM 0 HG2 GLN A 30 16.552 -9.552 -0.888 1.00 70.42 H new ATOM 0 HG3 GLN A 30 17.723 -9.565 0.416 1.00 70.42 H new ATOM 0 HE21 GLN A 30 15.187 -7.124 0.250 1.00 51.44 H new ATOM 0 HE22 GLN A 30 14.303 -7.760 1.641 1.00 51.44 H new ATOM 458 N THR A 31 18.044 -5.837 -3.452 1.00 64.44 N ATOM 459 CA THR A 31 18.694 -4.643 -3.979 1.00 33.53 C ATOM 460 C THR A 31 17.909 -4.061 -5.148 1.00 53.04 C ATOM 461 O THR A 31 18.440 -3.279 -5.937 1.00 12.41 O ATOM 462 CB THR A 31 20.133 -4.943 -4.440 1.00 34.45 C ATOM 463 OG1 THR A 31 20.209 -6.268 -4.978 1.00 34.24 O ATOM 464 CG2 THR A 31 21.111 -4.803 -3.283 1.00 64.25 C ATOM 0 H THR A 31 18.061 -6.639 -4.082 1.00 64.44 H new ATOM 0 HA THR A 31 18.725 -3.916 -3.168 1.00 33.53 H new ATOM 0 HB THR A 31 20.402 -4.222 -5.212 1.00 34.45 H new ATOM 0 HG1 THR A 31 21.126 -6.450 -5.270 1.00 34.24 H new ATOM 0 HG21 THR A 31 22.121 -5.019 -3.632 1.00 64.25 H new ATOM 0 HG22 THR A 31 21.072 -3.785 -2.894 1.00 64.25 H new ATOM 0 HG23 THR A 31 20.842 -5.504 -2.493 1.00 64.25 H new ATOM 472 N TYR A 32 16.642 -4.446 -5.255 1.00 31.32 N ATOM 473 CA TYR A 32 15.784 -3.963 -6.330 1.00 72.00 C ATOM 474 C TYR A 32 14.559 -3.246 -5.769 1.00 62.44 C ATOM 475 O TYR A 32 14.050 -3.600 -4.705 1.00 71.34 O ATOM 476 CB TYR A 32 15.344 -5.126 -7.222 1.00 5.52 C ATOM 477 CG TYR A 32 16.205 -5.304 -8.452 1.00 2.10 C ATOM 478 CD1 TYR A 32 17.510 -5.770 -8.349 1.00 21.40 C ATOM 479 CD2 TYR A 32 15.714 -5.005 -9.717 1.00 24.31 C ATOM 480 CE1 TYR A 32 18.301 -5.934 -9.470 1.00 74.30 C ATOM 481 CE2 TYR A 32 16.497 -5.168 -10.844 1.00 1.45 C ATOM 482 CZ TYR A 32 17.789 -5.632 -10.715 1.00 25.10 C ATOM 483 OH TYR A 32 18.573 -5.794 -11.835 1.00 11.33 O ATOM 0 H TYR A 32 16.186 -5.092 -4.610 1.00 31.32 H new ATOM 0 HA TYR A 32 16.357 -3.253 -6.926 1.00 72.00 H new ATOM 0 HB2 TYR A 32 15.362 -6.047 -6.639 1.00 5.52 H new ATOM 0 HB3 TYR A 32 14.311 -4.965 -7.532 1.00 5.52 H new ATOM 0 HD1 TYR A 32 17.913 -6.008 -7.376 1.00 21.40 H new ATOM 0 HD2 TYR A 32 14.703 -4.639 -9.821 1.00 24.31 H new ATOM 0 HE1 TYR A 32 19.314 -6.296 -9.372 1.00 74.30 H new ATOM 0 HE2 TYR A 32 16.099 -4.933 -11.820 1.00 1.45 H new ATOM 0 HH TYR A 32 18.062 -5.538 -12.631 1.00 11.33 H new ATOM 493 N THR A 33 14.090 -2.235 -6.494 1.00 71.41 N ATOM 494 CA THR A 33 12.926 -1.467 -6.071 1.00 32.31 C ATOM 495 C THR A 33 12.193 -0.875 -7.269 1.00 51.20 C ATOM 496 O THR A 33 12.781 -0.671 -8.330 1.00 71.22 O ATOM 497 CB THR A 33 13.322 -0.329 -5.112 1.00 22.13 C ATOM 498 OG1 THR A 33 14.202 -0.827 -4.098 1.00 23.02 O ATOM 499 CG2 THR A 33 12.091 0.286 -4.464 1.00 51.20 C ATOM 0 H THR A 33 14.499 -1.929 -7.377 1.00 71.41 H new ATOM 0 HA THR A 33 12.264 -2.158 -5.549 1.00 32.31 H new ATOM 0 HB THR A 33 13.832 0.442 -5.690 1.00 22.13 H new ATOM 0 HG1 THR A 33 14.450 -0.097 -3.493 1.00 23.02 H new ATOM 0 HG21 THR A 33 12.396 1.087 -3.791 1.00 51.20 H new ATOM 0 HG22 THR A 33 11.437 0.690 -5.236 1.00 51.20 H new ATOM 0 HG23 THR A 33 11.557 -0.478 -3.899 1.00 51.20 H new ATOM 507 N GLY A 34 10.904 -0.599 -7.092 1.00 22.04 N ATOM 508 CA GLY A 34 10.112 -0.032 -8.167 1.00 42.42 C ATOM 509 C GLY A 34 8.842 0.626 -7.667 1.00 15.13 C ATOM 510 O GLY A 34 8.403 1.639 -8.211 1.00 40.31 O ATOM 0 H GLY A 34 10.395 -0.758 -6.223 1.00 22.04 H new ATOM 0 HA2 GLY A 34 10.710 0.703 -8.706 1.00 42.42 H new ATOM 0 HA3 GLY A 34 9.855 -0.817 -8.878 1.00 42.42 H new ATOM 514 N SER A 35 8.247 0.048 -6.628 1.00 4.04 N ATOM 515 CA SER A 35 7.016 0.581 -6.057 1.00 50.51 C ATOM 516 C SER A 35 7.291 1.279 -4.728 1.00 54.35 C ATOM 517 O SER A 35 8.223 0.923 -4.009 1.00 53.20 O ATOM 518 CB SER A 35 5.995 -0.540 -5.856 1.00 13.32 C ATOM 519 OG SER A 35 4.980 -0.489 -6.844 1.00 10.43 O ATOM 0 H SER A 35 8.598 -0.790 -6.164 1.00 4.04 H new ATOM 0 HA SER A 35 6.608 1.313 -6.754 1.00 50.51 H new ATOM 0 HB2 SER A 35 6.498 -1.506 -5.897 1.00 13.32 H new ATOM 0 HB3 SER A 35 5.547 -0.455 -4.866 1.00 13.32 H new ATOM 0 HG SER A 35 4.124 -0.754 -6.447 1.00 10.43 H new ATOM 525 N ASN A 36 6.471 2.276 -4.410 1.00 71.03 N ATOM 526 CA ASN A 36 6.625 3.025 -3.169 1.00 13.43 C ATOM 527 C ASN A 36 8.048 3.555 -3.026 1.00 25.44 C ATOM 528 O ASN A 36 8.568 3.678 -1.917 1.00 73.01 O ATOM 529 CB ASN A 36 6.274 2.143 -1.969 1.00 72.21 C ATOM 530 CG ASN A 36 5.394 2.858 -0.963 1.00 12.54 C ATOM 531 OD1 ASN A 36 5.696 2.891 0.230 1.00 34.55 O ATOM 532 ND2 ASN A 36 4.298 3.437 -1.441 1.00 21.14 N ATOM 0 H ASN A 36 5.694 2.583 -4.995 1.00 71.03 H new ATOM 0 HA ASN A 36 5.942 3.874 -3.199 1.00 13.43 H new ATOM 0 HB2 ASN A 36 5.765 1.245 -2.319 1.00 72.21 H new ATOM 0 HB3 ASN A 36 7.192 1.819 -1.479 1.00 72.21 H new ATOM 0 HD21 ASN A 36 3.668 3.934 -0.811 1.00 21.14 H new ATOM 0 HD22 ASN A 36 4.087 3.385 -2.438 1.00 21.14 H new ATOM 539 N GLY A 37 8.675 3.867 -4.156 1.00 74.23 N ATOM 540 CA GLY A 37 10.032 4.380 -4.135 1.00 61.44 C ATOM 541 C GLY A 37 10.624 4.511 -5.525 1.00 13.12 C ATOM 542 O GLY A 37 10.840 5.619 -6.013 1.00 1.53 O ATOM 0 H GLY A 37 8.267 3.773 -5.086 1.00 74.23 H new ATOM 0 HA2 GLY A 37 10.041 5.354 -3.646 1.00 61.44 H new ATOM 0 HA3 GLY A 37 10.658 3.718 -3.538 1.00 61.44 H new ATOM 546 N GLY A 38 10.888 3.375 -6.164 1.00 11.40 N ATOM 547 CA GLY A 38 11.458 3.391 -7.499 1.00 35.54 C ATOM 548 C GLY A 38 12.940 3.707 -7.493 1.00 30.53 C ATOM 549 O GLY A 38 13.342 4.833 -7.781 1.00 44.21 O ATOM 0 H GLY A 38 10.718 2.445 -5.782 1.00 11.40 H new ATOM 0 HA2 GLY A 38 11.298 2.421 -7.970 1.00 35.54 H new ATOM 0 HA3 GLY A 38 10.935 4.130 -8.105 1.00 35.54 H new ATOM 553 N ALA A 39 13.755 2.710 -7.162 1.00 34.03 N ATOM 554 CA ALA A 39 15.201 2.887 -7.120 1.00 13.34 C ATOM 555 C ALA A 39 15.902 1.588 -6.739 1.00 3.02 C ATOM 556 O ALA A 39 16.093 1.297 -5.558 1.00 13.43 O ATOM 557 CB ALA A 39 15.569 3.994 -6.142 1.00 55.04 C ATOM 0 H ALA A 39 13.438 1.771 -6.919 1.00 34.03 H new ATOM 0 HA ALA A 39 15.537 3.172 -8.117 1.00 13.34 H new ATOM 0 HB1 ALA A 39 16.652 4.115 -6.121 1.00 55.04 H new ATOM 0 HB2 ALA A 39 15.105 4.928 -6.459 1.00 55.04 H new ATOM 0 HB3 ALA A 39 15.214 3.732 -5.145 1.00 55.04 H new ATOM 563 N ASP A 40 16.284 0.810 -7.746 1.00 13.12 N ATOM 564 CA ASP A 40 16.965 -0.459 -7.516 1.00 52.21 C ATOM 565 C ASP A 40 18.458 -0.241 -7.292 1.00 60.31 C ATOM 566 O ASP A 40 19.169 0.223 -8.184 1.00 65.42 O ATOM 567 CB ASP A 40 16.746 -1.401 -8.701 1.00 22.11 C ATOM 568 CG ASP A 40 17.326 -0.854 -9.990 1.00 53.15 C ATOM 569 OD1 ASP A 40 16.813 0.173 -10.483 1.00 51.01 O ATOM 570 OD2 ASP A 40 18.293 -1.452 -10.507 1.00 15.12 O ATOM 0 H ASP A 40 16.134 1.036 -8.729 1.00 13.12 H new ATOM 0 HA ASP A 40 16.544 -0.913 -6.619 1.00 52.21 H new ATOM 0 HB2 ASP A 40 17.201 -2.367 -8.482 1.00 22.11 H new ATOM 0 HB3 ASP A 40 15.678 -1.574 -8.831 1.00 22.11 H new ATOM 575 N LEU A 41 18.927 -0.578 -6.096 1.00 34.05 N ATOM 576 CA LEU A 41 20.336 -0.419 -5.753 1.00 53.21 C ATOM 577 C LEU A 41 20.682 -1.205 -4.492 1.00 51.44 C ATOM 578 O LEU A 41 19.892 -2.024 -4.023 1.00 42.45 O ATOM 579 CB LEU A 41 20.668 1.061 -5.553 1.00 21.11 C ATOM 580 CG LEU A 41 22.016 1.527 -6.105 1.00 73.33 C ATOM 581 CD1 LEU A 41 21.839 2.170 -7.472 1.00 72.31 C ATOM 582 CD2 LEU A 41 22.681 2.496 -5.140 1.00 4.42 C ATOM 0 H LEU A 41 18.352 -0.963 -5.347 1.00 34.05 H new ATOM 0 HA LEU A 41 20.932 -0.811 -6.577 1.00 53.21 H new ATOM 0 HB2 LEU A 41 19.882 1.655 -6.019 1.00 21.11 H new ATOM 0 HB3 LEU A 41 20.641 1.278 -4.485 1.00 21.11 H new ATOM 0 HG LEU A 41 22.662 0.656 -6.217 1.00 73.33 H new ATOM 0 HD11 LEU A 41 22.808 2.496 -7.849 1.00 72.31 H new ATOM 0 HD12 LEU A 41 21.406 1.445 -8.162 1.00 72.31 H new ATOM 0 HD13 LEU A 41 21.176 3.031 -7.386 1.00 72.31 H new ATOM 0 HD21 LEU A 41 23.639 2.817 -5.549 1.00 4.42 H new ATOM 0 HD22 LEU A 41 22.038 3.365 -4.996 1.00 4.42 H new ATOM 0 HD23 LEU A 41 22.843 2.002 -4.182 1.00 4.42 H new ATOM 594 N MET A 42 21.867 -0.947 -3.948 1.00 34.52 N ATOM 595 CA MET A 42 22.316 -1.629 -2.739 1.00 55.40 C ATOM 596 C MET A 42 22.430 -0.650 -1.574 1.00 72.33 C ATOM 597 O MET A 42 23.134 0.354 -1.662 1.00 3.41 O ATOM 598 CB MET A 42 23.664 -2.310 -2.982 1.00 52.55 C ATOM 599 CG MET A 42 24.105 -3.209 -1.840 1.00 22.53 C ATOM 600 SD MET A 42 25.826 -3.727 -1.988 1.00 1.42 S ATOM 601 CE MET A 42 25.778 -4.625 -3.536 1.00 75.25 C ATOM 0 H MET A 42 22.533 -0.272 -4.324 1.00 34.52 H new ATOM 0 HA MET A 42 21.576 -2.387 -2.483 1.00 55.40 H new ATOM 0 HB2 MET A 42 23.604 -2.901 -3.896 1.00 52.55 H new ATOM 0 HB3 MET A 42 24.424 -1.546 -3.146 1.00 52.55 H new ATOM 0 HG2 MET A 42 23.968 -2.683 -0.895 1.00 22.53 H new ATOM 0 HG3 MET A 42 23.465 -4.091 -1.809 1.00 22.53 H new ATOM 0 HE1 MET A 42 26.705 -5.184 -3.661 1.00 75.25 H new ATOM 0 HE2 MET A 42 24.935 -5.316 -3.530 1.00 75.25 H new ATOM 0 HE3 MET A 42 25.664 -3.922 -4.361 1.00 75.25 H new ATOM 611 N GLY A 43 21.731 -0.951 -0.484 1.00 24.15 N ATOM 612 CA GLY A 43 21.768 -0.088 0.682 1.00 3.15 C ATOM 613 C GLY A 43 21.213 -0.762 1.921 1.00 32.41 C ATOM 614 O GLY A 43 21.945 -1.103 2.850 1.00 5.31 O ATOM 0 H GLY A 43 21.140 -1.777 -0.388 1.00 24.15 H new ATOM 0 HA2 GLY A 43 22.797 0.220 0.870 1.00 3.15 H new ATOM 0 HA3 GLY A 43 21.197 0.818 0.478 1.00 3.15 H new ATOM 618 N PRO A 44 19.887 -0.964 1.946 1.00 51.52 N ATOM 619 CA PRO A 44 19.204 -1.602 3.075 1.00 61.31 C ATOM 620 C PRO A 44 19.530 -3.088 3.184 1.00 2.23 C ATOM 621 O PRO A 44 19.632 -3.631 4.284 1.00 74.22 O ATOM 622 CB PRO A 44 17.721 -1.403 2.752 1.00 43.25 C ATOM 623 CG PRO A 44 17.672 -1.266 1.269 1.00 50.31 C ATOM 624 CD PRO A 44 18.952 -0.583 0.873 1.00 23.43 C ATOM 0 HA PRO A 44 19.507 -1.173 4.030 1.00 61.31 H new ATOM 0 HB2 PRO A 44 17.125 -2.250 3.091 1.00 43.25 H new ATOM 0 HB3 PRO A 44 17.324 -0.516 3.245 1.00 43.25 H new ATOM 0 HG2 PRO A 44 17.586 -2.241 0.790 1.00 50.31 H new ATOM 0 HG3 PRO A 44 16.806 -0.681 0.960 1.00 50.31 H new ATOM 0 HD2 PRO A 44 19.302 -0.919 -0.103 1.00 23.43 H new ATOM 0 HD3 PRO A 44 18.829 0.498 0.812 1.00 23.43 H new ATOM 632 N ALA A 45 19.694 -3.739 2.037 1.00 31.15 N ATOM 633 CA ALA A 45 20.011 -5.161 2.005 1.00 22.42 C ATOM 634 C ALA A 45 21.375 -5.434 2.631 1.00 12.00 C ATOM 635 O ALA A 45 21.542 -6.391 3.388 1.00 53.23 O ATOM 636 CB ALA A 45 19.972 -5.679 0.575 1.00 51.41 C ATOM 0 H ALA A 45 19.613 -3.304 1.118 1.00 31.15 H new ATOM 0 HA ALA A 45 19.259 -5.688 2.592 1.00 22.42 H new ATOM 0 HB1 ALA A 45 20.211 -6.742 0.567 1.00 51.41 H new ATOM 0 HB2 ALA A 45 18.975 -5.528 0.160 1.00 51.41 H new ATOM 0 HB3 ALA A 45 20.702 -5.139 -0.028 1.00 51.41 H new ATOM 642 N PHE A 46 22.348 -4.588 2.310 1.00 12.31 N ATOM 643 CA PHE A 46 23.698 -4.739 2.840 1.00 41.32 C ATOM 644 C PHE A 46 23.719 -4.509 4.348 1.00 4.22 C ATOM 645 O PHE A 46 24.586 -5.024 5.053 1.00 23.41 O ATOM 646 CB PHE A 46 24.652 -3.761 2.150 1.00 13.00 C ATOM 647 CG PHE A 46 26.086 -4.205 2.175 1.00 44.31 C ATOM 648 CD1 PHE A 46 27.061 -3.411 2.758 1.00 31.01 C ATOM 649 CD2 PHE A 46 26.461 -5.415 1.614 1.00 34.44 C ATOM 650 CE1 PHE A 46 28.382 -3.817 2.783 1.00 0.40 C ATOM 651 CE2 PHE A 46 27.780 -5.826 1.637 1.00 60.33 C ATOM 652 CZ PHE A 46 28.742 -5.025 2.221 1.00 61.45 C ATOM 0 H PHE A 46 22.227 -3.791 1.685 1.00 12.31 H new ATOM 0 HA PHE A 46 24.028 -5.759 2.641 1.00 41.32 H new ATOM 0 HB2 PHE A 46 24.339 -3.630 1.114 1.00 13.00 H new ATOM 0 HB3 PHE A 46 24.573 -2.787 2.633 1.00 13.00 H new ATOM 0 HD1 PHE A 46 26.785 -2.464 3.198 1.00 31.01 H new ATOM 0 HD2 PHE A 46 25.714 -6.044 1.153 1.00 34.44 H new ATOM 0 HE1 PHE A 46 29.132 -3.190 3.242 1.00 0.40 H new ATOM 0 HE2 PHE A 46 28.059 -6.773 1.199 1.00 60.33 H new ATOM 0 HZ PHE A 46 29.774 -5.343 2.238 1.00 61.45 H new ATOM 662 N ALA A 47 22.759 -3.730 4.836 1.00 72.34 N ATOM 663 CA ALA A 47 22.666 -3.433 6.259 1.00 13.35 C ATOM 664 C ALA A 47 22.154 -4.639 7.040 1.00 10.41 C ATOM 665 O ALA A 47 22.610 -4.910 8.150 1.00 21.23 O ATOM 666 CB ALA A 47 21.762 -2.230 6.489 1.00 31.53 C ATOM 0 H ALA A 47 22.035 -3.293 4.266 1.00 72.34 H new ATOM 0 HA ALA A 47 23.666 -3.197 6.622 1.00 13.35 H new ATOM 0 HB1 ALA A 47 21.701 -2.019 7.557 1.00 31.53 H new ATOM 0 HB2 ALA A 47 22.171 -1.363 5.971 1.00 31.53 H new ATOM 0 HB3 ALA A 47 20.765 -2.445 6.105 1.00 31.53 H new ATOM 672 N ALA A 48 21.204 -5.358 6.453 1.00 75.05 N ATOM 673 CA ALA A 48 20.631 -6.536 7.093 1.00 50.42 C ATOM 674 C ALA A 48 21.498 -7.767 6.853 1.00 72.11 C ATOM 675 O ALA A 48 21.440 -8.736 7.609 1.00 4.43 O ATOM 676 CB ALA A 48 19.217 -6.777 6.586 1.00 14.43 C ATOM 0 H ALA A 48 20.814 -5.146 5.535 1.00 75.05 H new ATOM 0 HA ALA A 48 20.594 -6.354 8.167 1.00 50.42 H new ATOM 0 HB1 ALA A 48 18.802 -7.660 7.072 1.00 14.43 H new ATOM 0 HB2 ALA A 48 18.596 -5.911 6.814 1.00 14.43 H new ATOM 0 HB3 ALA A 48 19.239 -6.934 5.508 1.00 14.43 H new ATOM 682 N GLY A 49 22.301 -7.723 5.794 1.00 52.11 N ATOM 683 CA GLY A 49 23.167 -8.842 5.473 1.00 5.20 C ATOM 684 C GLY A 49 22.532 -9.804 4.489 1.00 11.02 C ATOM 685 O GLY A 49 22.991 -10.936 4.332 1.00 71.22 O ATOM 0 H GLY A 49 22.367 -6.932 5.153 1.00 52.11 H new ATOM 0 HA2 GLY A 49 24.102 -8.466 5.057 1.00 5.20 H new ATOM 0 HA3 GLY A 49 23.418 -9.377 6.389 1.00 5.20 H new ATOM 689 N LEU A 50 21.472 -9.355 3.826 1.00 31.23 N ATOM 690 CA LEU A 50 20.770 -10.185 2.853 1.00 23.31 C ATOM 691 C LEU A 50 21.638 -10.434 1.623 1.00 11.14 C ATOM 692 O LEU A 50 21.902 -9.519 0.843 1.00 25.20 O ATOM 693 CB LEU A 50 19.457 -9.520 2.439 1.00 52.14 C ATOM 694 CG LEU A 50 18.602 -8.957 3.574 1.00 11.24 C ATOM 695 CD1 LEU A 50 17.789 -7.766 3.091 1.00 42.21 C ATOM 696 CD2 LEU A 50 17.688 -10.035 4.139 1.00 50.31 C ATOM 0 H LEU A 50 21.080 -8.421 3.944 1.00 31.23 H new ATOM 0 HA LEU A 50 20.552 -11.145 3.321 1.00 23.31 H new ATOM 0 HB2 LEU A 50 19.686 -8.709 1.747 1.00 52.14 H new ATOM 0 HB3 LEU A 50 18.861 -10.249 1.890 1.00 52.14 H new ATOM 0 HG LEU A 50 19.266 -8.618 4.369 1.00 11.24 H new ATOM 0 HD11 LEU A 50 17.187 -7.379 3.913 1.00 42.21 H new ATOM 0 HD12 LEU A 50 18.462 -6.986 2.736 1.00 42.21 H new ATOM 0 HD13 LEU A 50 17.134 -8.078 2.277 1.00 42.21 H new ATOM 0 HD21 LEU A 50 17.087 -9.616 4.946 1.00 50.31 H new ATOM 0 HD22 LEU A 50 17.031 -10.405 3.351 1.00 50.31 H new ATOM 0 HD23 LEU A 50 18.290 -10.857 4.525 1.00 50.31 H new ATOM 708 N ARG A 51 22.076 -11.677 1.456 1.00 31.43 N ATOM 709 CA ARG A 51 22.913 -12.047 0.321 1.00 53.41 C ATOM 710 C ARG A 51 22.570 -13.449 -0.174 1.00 11.30 C ATOM 711 O ARG A 51 21.714 -14.127 0.394 1.00 31.12 O ATOM 712 CB ARG A 51 24.392 -11.978 0.706 1.00 15.52 C ATOM 713 CG ARG A 51 25.117 -10.775 0.125 1.00 71.02 C ATOM 714 CD ARG A 51 26.442 -11.175 -0.505 1.00 52.24 C ATOM 715 NE ARG A 51 27.403 -10.076 -0.502 1.00 4.41 N ATOM 716 CZ ARG A 51 27.396 -9.090 -1.392 1.00 40.13 C ATOM 717 NH1 ARG A 51 26.482 -9.066 -2.352 1.00 72.13 N ATOM 718 NH2 ARG A 51 28.304 -8.125 -1.323 1.00 42.02 N ATOM 0 H ARG A 51 21.865 -12.446 2.093 1.00 31.43 H new ATOM 0 HA ARG A 51 22.721 -11.339 -0.485 1.00 53.41 H new ATOM 0 HB2 ARG A 51 24.475 -11.952 1.793 1.00 15.52 H new ATOM 0 HB3 ARG A 51 24.889 -12.888 0.370 1.00 15.52 H new ATOM 0 HG2 ARG A 51 24.487 -10.296 -0.624 1.00 71.02 H new ATOM 0 HG3 ARG A 51 25.293 -10.040 0.911 1.00 71.02 H new ATOM 0 HD2 ARG A 51 26.860 -12.023 0.037 1.00 52.24 H new ATOM 0 HD3 ARG A 51 26.271 -11.505 -1.530 1.00 52.24 H new ATOM 0 HE ARG A 51 28.120 -10.065 0.224 1.00 4.41 H new ATOM 0 HH11 ARG A 51 25.782 -9.806 -2.408 1.00 72.13 H new ATOM 0 HH12 ARG A 51 26.479 -8.308 -3.034 1.00 72.13 H new ATOM 0 HH21 ARG A 51 29.009 -8.140 -0.586 1.00 42.02 H new ATOM 0 HH22 ARG A 51 28.297 -7.369 -2.007 1.00 42.02 H new ATOM 732 N VAL A 52 23.244 -13.877 -1.237 1.00 14.30 N ATOM 733 CA VAL A 52 23.011 -15.198 -1.808 1.00 41.24 C ATOM 734 C VAL A 52 23.460 -16.297 -0.852 1.00 11.10 C ATOM 735 O VAL A 52 24.558 -16.244 -0.301 1.00 23.34 O ATOM 736 CB VAL A 52 23.749 -15.367 -3.150 1.00 10.12 C ATOM 737 CG1 VAL A 52 23.300 -14.307 -4.144 1.00 13.22 C ATOM 738 CG2 VAL A 52 25.255 -15.309 -2.940 1.00 74.11 C ATOM 0 H VAL A 52 23.955 -13.328 -1.720 1.00 14.30 H new ATOM 0 HA VAL A 52 21.938 -15.285 -1.978 1.00 41.24 H new ATOM 0 HB VAL A 52 23.499 -16.345 -3.561 1.00 10.12 H new ATOM 0 HG11 VAL A 52 23.832 -14.443 -5.086 1.00 13.22 H new ATOM 0 HG12 VAL A 52 22.228 -14.401 -4.316 1.00 13.22 H new ATOM 0 HG13 VAL A 52 23.518 -13.317 -3.743 1.00 13.22 H new ATOM 0 HG21 VAL A 52 25.761 -15.430 -3.898 1.00 74.11 H new ATOM 0 HG22 VAL A 52 25.525 -14.346 -2.506 1.00 74.11 H new ATOM 0 HG23 VAL A 52 25.559 -16.109 -2.265 1.00 74.11 H new ATOM 748 N GLY A 53 22.601 -17.294 -0.660 1.00 3.00 N ATOM 749 CA GLY A 53 22.927 -18.393 0.230 1.00 4.32 C ATOM 750 C GLY A 53 21.865 -18.616 1.288 1.00 23.53 C ATOM 751 O GLY A 53 21.343 -19.722 1.429 1.00 20.41 O ATOM 0 H GLY A 53 21.686 -17.360 -1.105 1.00 3.00 H new ATOM 0 HA2 GLY A 53 23.051 -19.305 -0.354 1.00 4.32 H new ATOM 0 HA3 GLY A 53 23.882 -18.193 0.715 1.00 4.32 H new ATOM 755 N ASP A 54 21.546 -17.565 2.035 1.00 31.31 N ATOM 756 CA ASP A 54 20.539 -17.652 3.087 1.00 64.12 C ATOM 757 C ASP A 54 19.157 -17.912 2.496 1.00 22.50 C ATOM 758 O ASP A 54 18.893 -17.578 1.342 1.00 51.04 O ATOM 759 CB ASP A 54 20.521 -16.364 3.912 1.00 73.32 C ATOM 760 CG ASP A 54 21.821 -16.135 4.656 1.00 3.23 C ATOM 761 OD1 ASP A 54 21.983 -16.703 5.757 1.00 45.51 O ATOM 762 OD2 ASP A 54 22.677 -15.388 4.138 1.00 63.11 O ATOM 0 H ASP A 54 21.970 -16.643 1.932 1.00 31.31 H new ATOM 0 HA ASP A 54 20.799 -18.487 3.737 1.00 64.12 H new ATOM 0 HB2 ASP A 54 20.329 -15.517 3.254 1.00 73.32 H new ATOM 0 HB3 ASP A 54 19.699 -16.405 4.627 1.00 73.32 H new ATOM 767 N GLN A 55 18.281 -18.512 3.296 1.00 71.05 N ATOM 768 CA GLN A 55 16.927 -18.819 2.850 1.00 13.33 C ATOM 769 C GLN A 55 15.917 -17.868 3.484 1.00 11.50 C ATOM 770 O GLN A 55 15.927 -17.652 4.697 1.00 61.22 O ATOM 771 CB GLN A 55 16.569 -20.265 3.196 1.00 60.33 C ATOM 772 CG GLN A 55 17.545 -21.285 2.631 1.00 4.35 C ATOM 773 CD GLN A 55 17.395 -22.652 3.269 1.00 3.34 C ATOM 774 OE1 GLN A 55 16.249 -23.285 3.050 1.00 34.54 O flip ATOM 775 NE2 GLN A 55 18.300 -23.133 3.952 1.00 61.21 N flip ATOM 0 H GLN A 55 18.484 -18.795 4.255 1.00 71.05 H new ATOM 0 HA GLN A 55 16.890 -18.692 1.768 1.00 13.33 H new ATOM 0 HB2 GLN A 55 16.532 -20.372 4.280 1.00 60.33 H new ATOM 0 HB3 GLN A 55 15.570 -20.483 2.820 1.00 60.33 H new ATOM 0 HG2 GLN A 55 17.392 -21.372 1.555 1.00 4.35 H new ATOM 0 HG3 GLN A 55 18.564 -20.928 2.780 1.00 4.35 H new ATOM 0 HE21 GLN A 55 19.165 -22.611 4.094 1.00 61.21 H new ATOM 0 HE22 GLN A 55 18.185 -24.054 4.376 1.00 61.21 H new ATOM 784 N LEU A 56 15.046 -17.300 2.657 1.00 61.34 N ATOM 785 CA LEU A 56 14.029 -16.371 3.136 1.00 72.11 C ATOM 786 C LEU A 56 12.733 -17.105 3.467 1.00 24.22 C ATOM 787 O LEU A 56 12.192 -17.837 2.638 1.00 43.52 O ATOM 788 CB LEU A 56 13.762 -15.291 2.087 1.00 51.55 C ATOM 789 CG LEU A 56 13.025 -15.746 0.827 1.00 52.14 C ATOM 790 CD1 LEU A 56 11.524 -15.568 0.993 1.00 53.45 C ATOM 791 CD2 LEU A 56 13.524 -14.979 -0.390 1.00 33.34 C ATOM 0 H LEU A 56 15.024 -17.467 1.651 1.00 61.34 H new ATOM 0 HA LEU A 56 14.402 -15.901 4.046 1.00 72.11 H new ATOM 0 HB2 LEU A 56 13.183 -14.494 2.554 1.00 51.55 H new ATOM 0 HB3 LEU A 56 14.717 -14.859 1.789 1.00 51.55 H new ATOM 0 HG LEU A 56 13.230 -16.805 0.672 1.00 52.14 H new ATOM 0 HD11 LEU A 56 11.016 -15.897 0.086 1.00 53.45 H new ATOM 0 HD12 LEU A 56 11.178 -16.163 1.839 1.00 53.45 H new ATOM 0 HD13 LEU A 56 11.300 -14.517 1.173 1.00 53.45 H new ATOM 0 HD21 LEU A 56 12.988 -15.316 -1.277 1.00 33.34 H new ATOM 0 HD22 LEU A 56 13.350 -13.913 -0.244 1.00 33.34 H new ATOM 0 HD23 LEU A 56 14.591 -15.158 -0.521 1.00 33.34 H new ATOM 803 N VAL A 57 12.240 -16.903 4.685 1.00 74.52 N ATOM 804 CA VAL A 57 11.006 -17.543 5.125 1.00 33.30 C ATOM 805 C VAL A 57 9.956 -16.507 5.509 1.00 10.24 C ATOM 806 O VAL A 57 8.853 -16.493 4.962 1.00 3.41 O ATOM 807 CB VAL A 57 11.254 -18.476 6.326 1.00 44.35 C ATOM 808 CG1 VAL A 57 9.948 -19.088 6.806 1.00 75.11 C ATOM 809 CG2 VAL A 57 12.258 -19.559 5.959 1.00 34.14 C ATOM 0 H VAL A 57 12.676 -16.302 5.384 1.00 74.52 H new ATOM 0 HA VAL A 57 10.640 -18.134 4.285 1.00 33.30 H new ATOM 0 HB VAL A 57 11.671 -17.887 7.142 1.00 44.35 H new ATOM 0 HG11 VAL A 57 10.144 -19.744 7.654 1.00 75.11 H new ATOM 0 HG12 VAL A 57 9.265 -18.295 7.110 1.00 75.11 H new ATOM 0 HG13 VAL A 57 9.498 -19.665 5.998 1.00 75.11 H new ATOM 0 HG21 VAL A 57 12.422 -20.209 6.818 1.00 34.14 H new ATOM 0 HG22 VAL A 57 11.871 -20.147 5.127 1.00 34.14 H new ATOM 0 HG23 VAL A 57 13.202 -19.097 5.668 1.00 34.14 H new ATOM 819 N ARG A 58 10.306 -15.640 6.454 1.00 44.01 N ATOM 820 CA ARG A 58 9.394 -14.599 6.913 1.00 60.45 C ATOM 821 C ARG A 58 8.044 -15.194 7.303 1.00 1.34 C ATOM 822 O ARG A 58 7.011 -14.531 7.208 1.00 1.43 O ATOM 823 CB ARG A 58 9.202 -13.543 5.823 1.00 70.23 C ATOM 824 CG ARG A 58 8.727 -12.200 6.353 1.00 74.41 C ATOM 825 CD ARG A 58 7.631 -11.612 5.477 1.00 4.13 C ATOM 826 NE ARG A 58 6.306 -11.792 6.063 1.00 31.34 N ATOM 827 CZ ARG A 58 5.867 -11.107 7.113 1.00 10.40 C ATOM 828 NH1 ARG A 58 6.644 -10.200 7.689 1.00 40.54 N ATOM 829 NH2 ARG A 58 4.648 -11.327 7.589 1.00 61.52 N ATOM 0 H ARG A 58 11.215 -15.638 6.917 1.00 44.01 H new ATOM 0 HA ARG A 58 9.832 -14.128 7.793 1.00 60.45 H new ATOM 0 HB2 ARG A 58 10.145 -13.403 5.295 1.00 70.23 H new ATOM 0 HB3 ARG A 58 8.480 -13.912 5.094 1.00 70.23 H new ATOM 0 HG2 ARG A 58 8.356 -12.320 7.371 1.00 74.41 H new ATOM 0 HG3 ARG A 58 9.568 -11.508 6.400 1.00 74.41 H new ATOM 0 HD2 ARG A 58 7.819 -10.549 5.326 1.00 4.13 H new ATOM 0 HD3 ARG A 58 7.660 -12.084 4.495 1.00 4.13 H new ATOM 0 HE ARG A 58 5.683 -12.482 5.643 1.00 31.34 H new ATOM 0 HH11 ARG A 58 7.581 -10.027 7.326 1.00 40.54 H new ATOM 0 HH12 ARG A 58 6.304 -9.675 8.495 1.00 40.54 H new ATOM 0 HH21 ARG A 58 4.046 -12.023 7.149 1.00 61.52 H new ATOM 0 HH22 ARG A 58 4.313 -10.800 8.395 1.00 61.52 H new ATOM 843 N PHE A 59 8.060 -16.448 7.743 1.00 44.30 N ATOM 844 CA PHE A 59 6.838 -17.132 8.147 1.00 72.21 C ATOM 845 C PHE A 59 7.093 -18.038 9.348 1.00 0.11 C ATOM 846 O PHE A 59 8.179 -18.596 9.498 1.00 4.14 O ATOM 847 CB PHE A 59 6.280 -17.955 6.983 1.00 2.52 C ATOM 848 CG PHE A 59 5.688 -17.116 5.887 1.00 71.44 C ATOM 849 CD1 PHE A 59 4.745 -16.143 6.173 1.00 13.22 C ATOM 850 CD2 PHE A 59 6.074 -17.303 4.569 1.00 51.41 C ATOM 851 CE1 PHE A 59 4.198 -15.370 5.166 1.00 12.55 C ATOM 852 CE2 PHE A 59 5.531 -16.532 3.558 1.00 32.22 C ATOM 853 CZ PHE A 59 4.591 -15.565 3.857 1.00 32.31 C ATOM 0 H PHE A 59 8.906 -17.011 7.829 1.00 44.30 H new ATOM 0 HA PHE A 59 6.106 -16.376 8.433 1.00 72.21 H new ATOM 0 HB2 PHE A 59 7.078 -18.571 6.568 1.00 2.52 H new ATOM 0 HB3 PHE A 59 5.517 -18.635 7.362 1.00 2.52 H new ATOM 0 HD1 PHE A 59 4.433 -15.986 7.195 1.00 13.22 H new ATOM 0 HD2 PHE A 59 6.807 -18.059 4.329 1.00 51.41 H new ATOM 0 HE1 PHE A 59 3.464 -14.614 5.403 1.00 12.55 H new ATOM 0 HE2 PHE A 59 5.842 -16.686 2.535 1.00 32.22 H new ATOM 0 HZ PHE A 59 4.164 -14.963 3.068 1.00 32.31 H new ATOM 863 N ALA A 60 6.083 -18.178 10.201 1.00 5.00 N ATOM 864 CA ALA A 60 6.197 -19.016 11.388 1.00 20.30 C ATOM 865 C ALA A 60 6.158 -20.496 11.021 1.00 44.20 C ATOM 866 O ALA A 60 5.101 -21.040 10.705 1.00 1.30 O ATOM 867 CB ALA A 60 5.087 -18.686 12.375 1.00 23.33 C ATOM 0 H ALA A 60 5.177 -17.722 10.092 1.00 5.00 H new ATOM 0 HA ALA A 60 7.159 -18.810 11.857 1.00 20.30 H new ATOM 0 HB1 ALA A 60 5.184 -19.319 13.257 1.00 23.33 H new ATOM 0 HB2 ALA A 60 5.162 -17.639 12.670 1.00 23.33 H new ATOM 0 HB3 ALA A 60 4.119 -18.863 11.906 1.00 23.33 H new ATOM 873 N GLY A 61 7.320 -21.142 11.064 1.00 34.33 N ATOM 874 CA GLY A 61 7.396 -22.553 10.733 1.00 70.10 C ATOM 875 C GLY A 61 8.611 -22.886 9.890 1.00 3.24 C ATOM 876 O GLY A 61 8.887 -24.055 9.620 1.00 10.04 O ATOM 0 H GLY A 61 8.209 -20.714 11.322 1.00 34.33 H new ATOM 0 HA2 GLY A 61 7.424 -23.138 11.652 1.00 70.10 H new ATOM 0 HA3 GLY A 61 6.494 -22.846 10.196 1.00 70.10 H new ATOM 880 N TYR A 62 9.339 -21.856 9.473 1.00 61.25 N ATOM 881 CA TYR A 62 10.529 -22.045 8.652 1.00 45.31 C ATOM 882 C TYR A 62 10.181 -22.737 7.338 1.00 62.12 C ATOM 883 O TYR A 62 10.931 -23.584 6.850 1.00 54.01 O ATOM 884 CB TYR A 62 11.574 -22.864 9.412 1.00 71.02 C ATOM 885 CG TYR A 62 11.662 -22.519 10.881 1.00 30.23 C ATOM 886 CD1 TYR A 62 11.685 -21.196 11.304 1.00 1.21 C ATOM 887 CD2 TYR A 62 11.723 -23.516 11.847 1.00 61.42 C ATOM 888 CE1 TYR A 62 11.766 -20.876 12.646 1.00 42.23 C ATOM 889 CE2 TYR A 62 11.803 -23.206 13.190 1.00 12.24 C ATOM 890 CZ TYR A 62 11.824 -21.884 13.585 1.00 62.31 C ATOM 891 OH TYR A 62 11.905 -21.571 14.922 1.00 0.33 O ATOM 0 H TYR A 62 9.126 -20.882 9.690 1.00 61.25 H new ATOM 0 HA TYR A 62 10.942 -21.062 8.425 1.00 45.31 H new ATOM 0 HB2 TYR A 62 11.338 -23.923 9.310 1.00 71.02 H new ATOM 0 HB3 TYR A 62 12.550 -22.709 8.952 1.00 71.02 H new ATOM 0 HD1 TYR A 62 11.639 -20.404 10.571 1.00 1.21 H new ATOM 0 HD2 TYR A 62 11.708 -24.552 11.542 1.00 61.42 H new ATOM 0 HE1 TYR A 62 11.784 -19.842 12.958 1.00 42.23 H new ATOM 0 HE2 TYR A 62 11.849 -23.994 13.927 1.00 12.24 H new ATOM 0 HH TYR A 62 11.937 -22.396 15.450 1.00 0.33 H new ATOM 901 N THR A 63 9.037 -22.370 6.768 1.00 64.20 N ATOM 902 CA THR A 63 8.588 -22.955 5.511 1.00 14.21 C ATOM 903 C THR A 63 8.452 -21.891 4.427 1.00 20.34 C ATOM 904 O THR A 63 8.288 -20.707 4.722 1.00 34.44 O ATOM 905 CB THR A 63 7.237 -23.676 5.678 1.00 11.05 C ATOM 906 OG1 THR A 63 6.703 -24.021 4.395 1.00 24.22 O ATOM 907 CG2 THR A 63 6.244 -22.799 6.427 1.00 63.03 C ATOM 0 H THR A 63 8.405 -21.670 7.157 1.00 64.20 H new ATOM 0 HA THR A 63 9.345 -23.680 5.212 1.00 14.21 H new ATOM 0 HB THR A 63 7.405 -24.584 6.257 1.00 11.05 H new ATOM 0 HG1 THR A 63 5.845 -24.480 4.511 1.00 24.22 H new ATOM 0 HG21 THR A 63 5.298 -23.329 6.533 1.00 63.03 H new ATOM 0 HG22 THR A 63 6.640 -22.563 7.415 1.00 63.03 H new ATOM 0 HG23 THR A 63 6.082 -21.876 5.871 1.00 63.03 H new ATOM 915 N VAL A 64 8.521 -22.321 3.171 1.00 3.33 N ATOM 916 CA VAL A 64 8.404 -21.405 2.043 1.00 43.12 C ATOM 917 C VAL A 64 7.674 -22.061 0.876 1.00 4.11 C ATOM 918 O VAL A 64 7.668 -23.285 0.742 1.00 64.14 O ATOM 919 CB VAL A 64 9.787 -20.925 1.564 1.00 2.40 C ATOM 920 CG1 VAL A 64 9.642 -19.779 0.574 1.00 75.11 C ATOM 921 CG2 VAL A 64 10.646 -20.510 2.749 1.00 64.00 C ATOM 0 H VAL A 64 8.657 -23.297 2.909 1.00 3.33 H new ATOM 0 HA VAL A 64 7.830 -20.546 2.391 1.00 43.12 H new ATOM 0 HB VAL A 64 10.283 -21.752 1.056 1.00 2.40 H new ATOM 0 HG11 VAL A 64 10.630 -19.454 0.247 1.00 75.11 H new ATOM 0 HG12 VAL A 64 9.066 -20.114 -0.289 1.00 75.11 H new ATOM 0 HG13 VAL A 64 9.126 -18.947 1.053 1.00 75.11 H new ATOM 0 HG21 VAL A 64 11.620 -20.174 2.393 1.00 64.00 H new ATOM 0 HG22 VAL A 64 10.156 -19.698 3.287 1.00 64.00 H new ATOM 0 HG23 VAL A 64 10.779 -21.360 3.418 1.00 64.00 H new ATOM 931 N THR A 65 7.059 -21.238 0.032 1.00 32.34 N ATOM 932 CA THR A 65 6.325 -21.738 -1.123 1.00 53.33 C ATOM 933 C THR A 65 7.135 -21.571 -2.403 1.00 64.35 C ATOM 934 O THR A 65 7.661 -22.543 -2.946 1.00 54.44 O ATOM 935 CB THR A 65 4.974 -21.015 -1.287 1.00 4.34 C ATOM 936 OG1 THR A 65 4.162 -21.227 -0.127 1.00 34.10 O ATOM 937 CG2 THR A 65 4.241 -21.511 -2.524 1.00 2.42 C ATOM 0 H THR A 65 7.055 -20.222 0.127 1.00 32.34 H new ATOM 0 HA THR A 65 6.143 -22.798 -0.946 1.00 53.33 H new ATOM 0 HB THR A 65 5.169 -19.949 -1.404 1.00 4.34 H new ATOM 0 HG1 THR A 65 3.306 -20.763 -0.238 1.00 34.10 H new ATOM 0 HG21 THR A 65 3.290 -20.986 -2.619 1.00 2.42 H new ATOM 0 HG22 THR A 65 4.850 -21.321 -3.408 1.00 2.42 H new ATOM 0 HG23 THR A 65 4.057 -22.581 -2.433 1.00 2.42 H new ATOM 945 N GLU A 66 7.233 -20.334 -2.880 1.00 23.11 N ATOM 946 CA GLU A 66 7.981 -20.042 -4.097 1.00 51.03 C ATOM 947 C GLU A 66 8.224 -18.542 -4.240 1.00 22.22 C ATOM 948 O GLU A 66 7.946 -17.767 -3.324 1.00 4.21 O ATOM 949 CB GLU A 66 7.229 -20.566 -5.322 1.00 71.43 C ATOM 950 CG GLU A 66 5.855 -19.945 -5.505 1.00 54.41 C ATOM 951 CD GLU A 66 5.467 -19.805 -6.964 1.00 75.43 C ATOM 952 OE1 GLU A 66 6.184 -20.359 -7.824 1.00 3.33 O ATOM 953 OE2 GLU A 66 4.446 -19.144 -7.247 1.00 42.40 O ATOM 0 H GLU A 66 6.804 -19.519 -2.442 1.00 23.11 H new ATOM 0 HA GLU A 66 8.946 -20.544 -4.029 1.00 51.03 H new ATOM 0 HB2 GLU A 66 7.826 -20.375 -6.214 1.00 71.43 H new ATOM 0 HB3 GLU A 66 7.121 -21.647 -5.236 1.00 71.43 H new ATOM 0 HG2 GLU A 66 5.113 -20.557 -4.993 1.00 54.41 H new ATOM 0 HG3 GLU A 66 5.839 -18.963 -5.033 1.00 54.41 H new ATOM 960 N LEU A 67 8.745 -18.141 -5.394 1.00 2.42 N ATOM 961 CA LEU A 67 9.027 -16.734 -5.658 1.00 2.24 C ATOM 962 C LEU A 67 7.792 -15.875 -5.407 1.00 1.54 C ATOM 963 O LEU A 67 7.901 -14.709 -5.026 1.00 63.41 O ATOM 964 CB LEU A 67 9.506 -16.551 -7.099 1.00 14.31 C ATOM 965 CG LEU A 67 8.724 -17.315 -8.168 1.00 32.11 C ATOM 966 CD1 LEU A 67 8.076 -16.350 -9.148 1.00 41.52 C ATOM 967 CD2 LEU A 67 9.635 -18.290 -8.900 1.00 34.03 C ATOM 0 H LEU A 67 8.981 -18.770 -6.162 1.00 2.42 H new ATOM 0 HA LEU A 67 9.815 -16.413 -4.977 1.00 2.24 H new ATOM 0 HB2 LEU A 67 9.470 -15.489 -7.341 1.00 14.31 H new ATOM 0 HB3 LEU A 67 10.551 -16.855 -7.155 1.00 14.31 H new ATOM 0 HG LEU A 67 7.935 -17.884 -7.676 1.00 32.11 H new ATOM 0 HD11 LEU A 67 7.524 -16.912 -9.901 1.00 41.52 H new ATOM 0 HD12 LEU A 67 7.392 -15.692 -8.612 1.00 41.52 H new ATOM 0 HD13 LEU A 67 8.847 -15.753 -9.634 1.00 41.52 H new ATOM 0 HD21 LEU A 67 9.062 -18.825 -9.657 1.00 34.03 H new ATOM 0 HD22 LEU A 67 10.445 -17.741 -9.379 1.00 34.03 H new ATOM 0 HD23 LEU A 67 10.051 -19.003 -8.189 1.00 34.03 H new ATOM 979 N ALA A 68 6.618 -16.459 -5.621 1.00 13.25 N ATOM 980 CA ALA A 68 5.362 -15.748 -5.413 1.00 60.25 C ATOM 981 C ALA A 68 5.181 -15.370 -3.947 1.00 53.45 C ATOM 982 O ALA A 68 4.776 -14.251 -3.631 1.00 32.50 O ATOM 983 CB ALA A 68 4.191 -16.595 -5.891 1.00 25.25 C ATOM 0 H ALA A 68 6.510 -17.422 -5.938 1.00 13.25 H new ATOM 0 HA ALA A 68 5.393 -14.828 -5.996 1.00 60.25 H new ATOM 0 HB1 ALA A 68 3.260 -16.052 -5.730 1.00 25.25 H new ATOM 0 HB2 ALA A 68 4.307 -16.809 -6.953 1.00 25.25 H new ATOM 0 HB3 ALA A 68 4.167 -17.531 -5.333 1.00 25.25 H new ATOM 989 N ALA A 69 5.483 -16.309 -3.057 1.00 15.21 N ATOM 990 CA ALA A 69 5.354 -16.073 -1.624 1.00 51.33 C ATOM 991 C ALA A 69 6.246 -14.920 -1.176 1.00 12.03 C ATOM 992 O ALA A 69 5.899 -14.174 -0.260 1.00 1.31 O ATOM 993 CB ALA A 69 5.692 -17.337 -0.849 1.00 22.14 C ATOM 0 H ALA A 69 5.819 -17.240 -3.303 1.00 15.21 H new ATOM 0 HA ALA A 69 4.319 -15.799 -1.417 1.00 51.33 H new ATOM 0 HB1 ALA A 69 5.592 -17.146 0.220 1.00 22.14 H new ATOM 0 HB2 ALA A 69 5.010 -18.136 -1.141 1.00 22.14 H new ATOM 0 HB3 ALA A 69 6.717 -17.636 -1.069 1.00 22.14 H new ATOM 999 N PHE A 70 7.396 -14.781 -1.826 1.00 3.51 N ATOM 1000 CA PHE A 70 8.339 -13.719 -1.492 1.00 62.24 C ATOM 1001 C PHE A 70 7.937 -12.406 -2.158 1.00 4.05 C ATOM 1002 O PHE A 70 8.217 -11.325 -1.641 1.00 24.32 O ATOM 1003 CB PHE A 70 9.754 -14.111 -1.924 1.00 50.41 C ATOM 1004 CG PHE A 70 10.721 -12.961 -1.923 1.00 33.12 C ATOM 1005 CD1 PHE A 70 11.218 -12.456 -3.113 1.00 43.21 C ATOM 1006 CD2 PHE A 70 11.132 -12.386 -0.731 1.00 62.22 C ATOM 1007 CE1 PHE A 70 12.108 -11.398 -3.115 1.00 52.25 C ATOM 1008 CE2 PHE A 70 12.021 -11.328 -0.727 1.00 40.14 C ATOM 1009 CZ PHE A 70 12.510 -10.834 -1.921 1.00 4.12 C ATOM 0 H PHE A 70 7.698 -15.390 -2.587 1.00 3.51 H new ATOM 0 HA PHE A 70 8.322 -13.578 -0.411 1.00 62.24 H new ATOM 0 HB2 PHE A 70 10.126 -14.889 -1.258 1.00 50.41 H new ATOM 0 HB3 PHE A 70 9.714 -14.541 -2.925 1.00 50.41 H new ATOM 0 HD1 PHE A 70 10.907 -12.894 -4.050 1.00 43.21 H new ATOM 0 HD2 PHE A 70 10.753 -12.769 0.205 1.00 62.22 H new ATOM 0 HE1 PHE A 70 12.488 -11.013 -4.050 1.00 52.25 H new ATOM 0 HE2 PHE A 70 12.333 -10.888 0.208 1.00 40.14 H new ATOM 0 HZ PHE A 70 13.206 -10.008 -1.920 1.00 4.12 H new ATOM 1019 N ASN A 71 7.280 -12.509 -3.308 1.00 34.22 N ATOM 1020 CA ASN A 71 6.840 -11.330 -4.045 1.00 72.32 C ATOM 1021 C ASN A 71 5.639 -10.680 -3.365 1.00 2.42 C ATOM 1022 O ASN A 71 5.492 -9.457 -3.375 1.00 5.13 O ATOM 1023 CB ASN A 71 6.482 -11.707 -5.484 1.00 62.33 C ATOM 1024 CG ASN A 71 6.240 -10.491 -6.357 1.00 61.24 C ATOM 1025 OD1 ASN A 71 5.520 -9.570 -5.972 1.00 71.10 O ATOM 1026 ND2 ASN A 71 6.842 -10.483 -7.541 1.00 23.41 N ATOM 0 H ASN A 71 7.040 -13.396 -3.750 1.00 34.22 H new ATOM 0 HA ASN A 71 7.661 -10.613 -4.057 1.00 72.32 H new ATOM 0 HB2 ASN A 71 7.288 -12.303 -5.912 1.00 62.33 H new ATOM 0 HB3 ASN A 71 5.589 -12.333 -5.481 1.00 62.33 H new ATOM 0 HD21 ASN A 71 6.716 -9.691 -8.172 1.00 23.41 H new ATOM 0 HD22 ASN A 71 7.430 -11.268 -7.819 1.00 23.41 H new ATOM 1033 N THR A 72 4.782 -11.505 -2.773 1.00 73.51 N ATOM 1034 CA THR A 72 3.594 -11.012 -2.088 1.00 52.32 C ATOM 1035 C THR A 72 3.957 -10.353 -0.763 1.00 4.34 C ATOM 1036 O THR A 72 3.389 -9.326 -0.392 1.00 15.15 O ATOM 1037 CB THR A 72 2.585 -12.146 -1.825 1.00 51.41 C ATOM 1038 OG1 THR A 72 1.449 -11.636 -1.118 1.00 32.22 O ATOM 1039 CG2 THR A 72 3.228 -13.266 -1.022 1.00 72.42 C ATOM 0 H THR A 72 4.889 -12.519 -2.754 1.00 73.51 H new ATOM 0 HA THR A 72 3.135 -10.273 -2.745 1.00 52.32 H new ATOM 0 HB THR A 72 2.264 -12.548 -2.786 1.00 51.41 H new ATOM 0 HG1 THR A 72 0.811 -12.362 -0.956 1.00 32.22 H new ATOM 0 HG21 THR A 72 2.497 -14.055 -0.848 1.00 72.42 H new ATOM 0 HG22 THR A 72 4.075 -13.671 -1.576 1.00 72.42 H new ATOM 0 HG23 THR A 72 3.574 -12.875 -0.065 1.00 72.42 H new ATOM 1047 N VAL A 73 4.909 -10.949 -0.052 1.00 24.10 N ATOM 1048 CA VAL A 73 5.351 -10.419 1.232 1.00 15.54 C ATOM 1049 C VAL A 73 6.156 -9.137 1.050 1.00 22.12 C ATOM 1050 O VAL A 73 5.992 -8.175 1.801 1.00 74.41 O ATOM 1051 CB VAL A 73 6.205 -11.445 2.000 1.00 42.41 C ATOM 1052 CG1 VAL A 73 5.376 -12.669 2.359 1.00 44.45 C ATOM 1053 CG2 VAL A 73 7.426 -11.838 1.182 1.00 22.22 C ATOM 0 H VAL A 73 5.389 -11.800 -0.344 1.00 24.10 H new ATOM 0 HA VAL A 73 4.453 -10.201 1.810 1.00 15.54 H new ATOM 0 HB VAL A 73 6.549 -10.986 2.927 1.00 42.41 H new ATOM 0 HG11 VAL A 73 5.997 -13.383 2.901 1.00 44.45 H new ATOM 0 HG12 VAL A 73 4.536 -12.369 2.986 1.00 44.45 H new ATOM 0 HG13 VAL A 73 5.000 -13.134 1.448 1.00 44.45 H new ATOM 0 HG21 VAL A 73 8.019 -12.564 1.739 1.00 22.22 H new ATOM 0 HG22 VAL A 73 7.105 -12.279 0.238 1.00 22.22 H new ATOM 0 HG23 VAL A 73 8.030 -10.953 0.982 1.00 22.22 H new ATOM 1063 N VAL A 74 7.028 -9.131 0.047 1.00 4.51 N ATOM 1064 CA VAL A 74 7.859 -7.966 -0.236 1.00 25.53 C ATOM 1065 C VAL A 74 7.018 -6.800 -0.740 1.00 13.44 C ATOM 1066 O VAL A 74 7.293 -5.642 -0.427 1.00 42.32 O ATOM 1067 CB VAL A 74 8.944 -8.291 -1.280 1.00 20.51 C ATOM 1068 CG1 VAL A 74 8.313 -8.571 -2.636 1.00 5.43 C ATOM 1069 CG2 VAL A 74 9.950 -7.154 -1.374 1.00 72.25 C ATOM 0 H VAL A 74 7.178 -9.919 -0.583 1.00 4.51 H new ATOM 0 HA VAL A 74 8.339 -7.685 0.701 1.00 25.53 H new ATOM 0 HB VAL A 74 9.474 -9.188 -0.961 1.00 20.51 H new ATOM 0 HG11 VAL A 74 9.095 -8.799 -3.361 1.00 5.43 H new ATOM 0 HG12 VAL A 74 7.636 -9.421 -2.554 1.00 5.43 H new ATOM 0 HG13 VAL A 74 7.756 -7.694 -2.966 1.00 5.43 H new ATOM 0 HG21 VAL A 74 10.709 -7.400 -2.116 1.00 72.25 H new ATOM 0 HG22 VAL A 74 9.438 -6.238 -1.669 1.00 72.25 H new ATOM 0 HG23 VAL A 74 10.425 -7.007 -0.404 1.00 72.25 H new ATOM 1079 N ALA A 75 5.989 -7.113 -1.521 1.00 44.01 N ATOM 1080 CA ALA A 75 5.105 -6.091 -2.067 1.00 1.34 C ATOM 1081 C ALA A 75 4.468 -5.266 -0.954 1.00 15.31 C ATOM 1082 O ALA A 75 4.383 -4.041 -1.047 1.00 73.01 O ATOM 1083 CB ALA A 75 4.031 -6.730 -2.934 1.00 31.21 C ATOM 0 H ALA A 75 5.747 -8.067 -1.790 1.00 44.01 H new ATOM 0 HA ALA A 75 5.703 -5.421 -2.685 1.00 1.34 H new ATOM 0 HB1 ALA A 75 3.378 -5.955 -3.335 1.00 31.21 H new ATOM 0 HB2 ALA A 75 4.501 -7.270 -3.756 1.00 31.21 H new ATOM 0 HB3 ALA A 75 3.443 -7.424 -2.333 1.00 31.21 H new ATOM 1089 N ARG A 76 4.020 -5.944 0.097 1.00 20.45 N ATOM 1090 CA ARG A 76 3.388 -5.274 1.227 1.00 2.42 C ATOM 1091 C ARG A 76 4.436 -4.644 2.141 1.00 54.12 C ATOM 1092 O ARG A 76 4.161 -3.664 2.834 1.00 5.30 O ATOM 1093 CB ARG A 76 2.532 -6.262 2.021 1.00 70.32 C ATOM 1094 CG ARG A 76 1.115 -6.405 1.489 1.00 64.14 C ATOM 1095 CD ARG A 76 1.109 -6.800 0.020 1.00 2.31 C ATOM 1096 NE ARG A 76 -0.247 -6.905 -0.513 1.00 25.24 N ATOM 1097 CZ ARG A 76 -0.530 -7.418 -1.705 1.00 21.23 C ATOM 1098 NH1 ARG A 76 0.443 -7.870 -2.484 1.00 30.53 N ATOM 1099 NH2 ARG A 76 -1.789 -7.480 -2.120 1.00 2.15 N ATOM 0 H ARG A 76 4.083 -6.958 0.190 1.00 20.45 H new ATOM 0 HA ARG A 76 2.748 -4.483 0.836 1.00 2.42 H new ATOM 0 HB2 ARG A 76 3.015 -7.239 2.010 1.00 70.32 H new ATOM 0 HB3 ARG A 76 2.490 -5.939 3.061 1.00 70.32 H new ATOM 0 HG2 ARG A 76 0.581 -7.156 2.071 1.00 64.14 H new ATOM 0 HG3 ARG A 76 0.581 -5.463 1.616 1.00 64.14 H new ATOM 0 HD2 ARG A 76 1.669 -6.063 -0.556 1.00 2.31 H new ATOM 0 HD3 ARG A 76 1.621 -7.755 -0.101 1.00 2.31 H new ATOM 0 HE ARG A 76 -1.019 -6.566 0.062 1.00 25.24 H new ATOM 0 HH11 ARG A 76 1.412 -7.824 -2.168 1.00 30.53 H new ATOM 0 HH12 ARG A 76 0.223 -8.263 -3.399 1.00 30.53 H new ATOM 0 HH21 ARG A 76 -2.540 -7.134 -1.523 1.00 2.15 H new ATOM 0 HH22 ARG A 76 -2.005 -7.874 -3.036 1.00 2.15 H new ATOM 1113 N HIS A 77 5.636 -5.214 2.137 1.00 45.12 N ATOM 1114 CA HIS A 77 6.725 -4.708 2.965 1.00 25.41 C ATOM 1115 C HIS A 77 7.345 -3.459 2.345 1.00 34.24 C ATOM 1116 O HIS A 77 7.888 -2.608 3.050 1.00 71.22 O ATOM 1117 CB HIS A 77 7.796 -5.784 3.150 1.00 71.54 C ATOM 1118 CG HIS A 77 8.958 -5.337 3.981 1.00 3.41 C ATOM 1119 ND1 HIS A 77 8.815 -4.752 5.222 1.00 64.12 N ATOM 1120 CD2 HIS A 77 10.290 -5.392 3.744 1.00 12.10 C ATOM 1121 CE1 HIS A 77 10.009 -4.466 5.711 1.00 14.32 C ATOM 1122 NE2 HIS A 77 10.921 -4.844 4.834 1.00 34.40 N ATOM 0 H HIS A 77 5.879 -6.026 1.570 1.00 45.12 H new ATOM 0 HA HIS A 77 6.314 -4.443 3.939 1.00 25.41 H new ATOM 0 HB2 HIS A 77 7.343 -6.659 3.615 1.00 71.54 H new ATOM 0 HB3 HIS A 77 8.159 -6.095 2.171 1.00 71.54 H new ATOM 0 HD1 HIS A 77 7.927 -4.569 5.689 1.00 64.12 H new ATOM 0 HD2 HIS A 77 10.767 -5.792 2.862 1.00 12.10 H new ATOM 0 HE1 HIS A 77 10.206 -4.002 6.666 1.00 14.32 H new ATOM 1130 N VAL A 78 7.260 -3.356 1.023 1.00 74.22 N ATOM 1131 CA VAL A 78 7.811 -2.211 0.308 1.00 20.21 C ATOM 1132 C VAL A 78 7.295 -0.900 0.890 1.00 3.10 C ATOM 1133 O VAL A 78 6.167 -0.490 0.619 1.00 54.13 O ATOM 1134 CB VAL A 78 7.465 -2.266 -1.192 1.00 11.13 C ATOM 1135 CG1 VAL A 78 7.750 -0.927 -1.855 1.00 22.11 C ATOM 1136 CG2 VAL A 78 8.237 -3.384 -1.876 1.00 34.33 C ATOM 0 H VAL A 78 6.815 -4.052 0.425 1.00 74.22 H new ATOM 0 HA VAL A 78 8.894 -2.256 0.425 1.00 20.21 H new ATOM 0 HB VAL A 78 6.400 -2.476 -1.294 1.00 11.13 H new ATOM 0 HG11 VAL A 78 7.500 -0.985 -2.914 1.00 22.11 H new ATOM 0 HG12 VAL A 78 7.148 -0.151 -1.382 1.00 22.11 H new ATOM 0 HG13 VAL A 78 8.807 -0.684 -1.745 1.00 22.11 H new ATOM 0 HG21 VAL A 78 7.980 -3.408 -2.935 1.00 34.33 H new ATOM 0 HG22 VAL A 78 9.307 -3.208 -1.766 1.00 34.33 H new ATOM 0 HG23 VAL A 78 7.978 -4.338 -1.418 1.00 34.33 H new ATOM 1146 N ARG A 79 8.130 -0.246 1.691 1.00 11.32 N ATOM 1147 CA ARG A 79 7.758 1.020 2.312 1.00 21.25 C ATOM 1148 C ARG A 79 8.996 1.848 2.642 1.00 45.22 C ATOM 1149 O ARG A 79 10.108 1.331 2.753 1.00 62.14 O ATOM 1150 CB ARG A 79 6.946 0.769 3.584 1.00 22.35 C ATOM 1151 CG ARG A 79 5.472 1.111 3.443 1.00 30.35 C ATOM 1152 CD ARG A 79 4.986 1.970 4.600 1.00 4.22 C ATOM 1153 NE ARG A 79 3.633 1.612 5.018 1.00 44.54 N ATOM 1154 CZ ARG A 79 2.537 2.036 4.398 1.00 21.12 C ATOM 1155 NH1 ARG A 79 2.634 2.828 3.339 1.00 30.51 N ATOM 1156 NH2 ARG A 79 1.341 1.667 4.838 1.00 72.21 N ATOM 0 H ARG A 79 9.068 -0.571 1.925 1.00 11.32 H new ATOM 0 HA ARG A 79 7.147 1.578 1.603 1.00 21.25 H new ATOM 0 HB2 ARG A 79 7.042 -0.280 3.865 1.00 22.35 H new ATOM 0 HB3 ARG A 79 7.370 1.357 4.398 1.00 22.35 H new ATOM 0 HG2 ARG A 79 5.308 1.638 2.503 1.00 30.35 H new ATOM 0 HG3 ARG A 79 4.887 0.192 3.400 1.00 30.35 H new ATOM 0 HD2 ARG A 79 5.667 1.860 5.444 1.00 4.22 H new ATOM 0 HD3 ARG A 79 5.009 3.020 4.307 1.00 4.22 H new ATOM 0 HE ARG A 79 3.524 1.004 5.830 1.00 44.54 H new ATOM 0 HH11 ARG A 79 3.552 3.113 2.998 1.00 30.51 H new ATOM 0 HH12 ARG A 79 1.791 3.152 2.865 1.00 30.51 H new ATOM 0 HH21 ARG A 79 1.263 1.058 5.652 1.00 72.21 H new ATOM 0 HH22 ARG A 79 0.500 1.993 4.362 1.00 72.21 H new ATOM 1170 N PRO A 80 8.802 3.166 2.802 1.00 60.33 N ATOM 1171 CA PRO A 80 9.891 4.094 3.121 1.00 61.35 C ATOM 1172 C PRO A 80 10.421 3.901 4.537 1.00 22.42 C ATOM 1173 O PRO A 80 9.763 4.264 5.511 1.00 13.55 O ATOM 1174 CB PRO A 80 9.237 5.470 2.977 1.00 5.41 C ATOM 1175 CG PRO A 80 7.787 5.228 3.217 1.00 3.01 C ATOM 1176 CD PRO A 80 7.504 3.851 2.684 1.00 31.22 C ATOM 0 HA PRO A 80 10.755 3.947 2.473 1.00 61.35 H new ATOM 0 HB2 PRO A 80 9.644 6.179 3.698 1.00 5.41 H new ATOM 0 HB3 PRO A 80 9.410 5.888 1.985 1.00 5.41 H new ATOM 0 HG2 PRO A 80 7.551 5.291 4.279 1.00 3.01 H new ATOM 0 HG3 PRO A 80 7.177 5.976 2.710 1.00 3.01 H new ATOM 0 HD2 PRO A 80 6.730 3.347 3.263 1.00 31.22 H new ATOM 0 HD3 PRO A 80 7.159 3.883 1.650 1.00 31.22 H new ATOM 1184 N SER A 81 11.615 3.326 4.644 1.00 2.42 N ATOM 1185 CA SER A 81 12.232 3.082 5.943 1.00 42.13 C ATOM 1186 C SER A 81 11.360 2.166 6.795 1.00 34.30 C ATOM 1187 O SER A 81 11.224 2.366 8.002 1.00 63.53 O ATOM 1188 CB SER A 81 12.470 4.404 6.675 1.00 44.23 C ATOM 1189 OG SER A 81 13.357 4.230 7.767 1.00 54.13 O ATOM 0 H SER A 81 12.174 3.021 3.847 1.00 2.42 H new ATOM 0 HA SER A 81 13.190 2.590 5.776 1.00 42.13 H new ATOM 0 HB2 SER A 81 12.881 5.138 5.982 1.00 44.23 H new ATOM 0 HB3 SER A 81 11.520 4.801 7.034 1.00 44.23 H new ATOM 0 HG SER A 81 13.018 3.522 8.354 1.00 54.13 H new ATOM 1195 N ALA A 82 10.769 1.160 6.157 1.00 4.05 N ATOM 1196 CA ALA A 82 9.911 0.211 6.856 1.00 3.21 C ATOM 1197 C ALA A 82 10.720 -0.961 7.403 1.00 54.34 C ATOM 1198 O ALA A 82 11.101 -1.864 6.659 1.00 62.41 O ATOM 1199 CB ALA A 82 8.813 -0.289 5.929 1.00 23.12 C ATOM 0 H ALA A 82 10.869 0.982 5.158 1.00 4.05 H new ATOM 0 HA ALA A 82 9.452 0.726 7.700 1.00 3.21 H new ATOM 0 HB1 ALA A 82 8.180 -0.997 6.464 1.00 23.12 H new ATOM 0 HB2 ALA A 82 8.210 0.554 5.591 1.00 23.12 H new ATOM 0 HB3 ALA A 82 9.261 -0.783 5.067 1.00 23.12 H new ATOM 1205 N SER A 83 10.978 -0.939 8.706 1.00 12.33 N ATOM 1206 CA SER A 83 11.745 -1.998 9.352 1.00 41.45 C ATOM 1207 C SER A 83 10.822 -3.089 9.885 1.00 24.21 C ATOM 1208 O SER A 83 9.948 -2.828 10.712 1.00 72.22 O ATOM 1209 CB SER A 83 12.588 -1.423 10.492 1.00 35.43 C ATOM 1210 OG SER A 83 12.100 -0.157 10.899 1.00 54.31 O ATOM 0 H SER A 83 10.667 -0.199 9.336 1.00 12.33 H new ATOM 0 HA SER A 83 12.408 -2.440 8.608 1.00 41.45 H new ATOM 0 HB2 SER A 83 12.577 -2.110 11.338 1.00 35.43 H new ATOM 0 HB3 SER A 83 13.625 -1.330 10.170 1.00 35.43 H new ATOM 0 HG SER A 83 11.179 -0.250 11.222 1.00 54.31 H new ATOM 1216 N ILE A 84 11.024 -4.312 9.406 1.00 23.02 N ATOM 1217 CA ILE A 84 10.212 -5.444 9.835 1.00 11.42 C ATOM 1218 C ILE A 84 11.077 -6.670 10.104 1.00 33.53 C ATOM 1219 O ILE A 84 11.944 -7.035 9.311 1.00 65.32 O ATOM 1220 CB ILE A 84 9.145 -5.802 8.783 1.00 5.14 C ATOM 1221 CG1 ILE A 84 8.267 -4.586 8.481 1.00 45.11 C ATOM 1222 CG2 ILE A 84 8.296 -6.968 9.266 1.00 23.22 C ATOM 1223 CD1 ILE A 84 7.461 -4.112 9.670 1.00 43.12 C ATOM 0 H ILE A 84 11.743 -4.544 8.721 1.00 23.02 H new ATOM 0 HA ILE A 84 9.714 -5.144 10.757 1.00 11.42 H new ATOM 0 HB ILE A 84 9.648 -6.100 7.863 1.00 5.14 H new ATOM 0 HG12 ILE A 84 8.899 -3.769 8.132 1.00 45.11 H new ATOM 0 HG13 ILE A 84 7.586 -4.833 7.666 1.00 45.11 H new ATOM 0 HG21 ILE A 84 7.547 -7.209 8.512 1.00 23.22 H new ATOM 0 HG22 ILE A 84 8.933 -7.836 9.435 1.00 23.22 H new ATOM 0 HG23 ILE A 84 7.799 -6.695 10.197 1.00 23.22 H new ATOM 0 HD11 ILE A 84 6.863 -3.247 9.383 1.00 43.12 H new ATOM 0 HD12 ILE A 84 6.803 -4.913 10.006 1.00 43.12 H new ATOM 0 HD13 ILE A 84 8.136 -3.833 10.479 1.00 43.12 H new ATOM 1235 N PRO A 85 10.835 -7.325 11.250 1.00 71.02 N ATOM 1236 CA PRO A 85 11.580 -8.523 11.649 1.00 15.14 C ATOM 1237 C PRO A 85 11.249 -9.729 10.776 1.00 4.35 C ATOM 1238 O PRO A 85 10.097 -10.156 10.700 1.00 3.21 O ATOM 1239 CB PRO A 85 11.119 -8.763 13.089 1.00 11.03 C ATOM 1240 CG PRO A 85 9.771 -8.133 13.166 1.00 42.31 C ATOM 1241 CD PRO A 85 9.816 -6.946 12.243 1.00 73.51 C ATOM 0 HA PRO A 85 12.657 -8.386 11.548 1.00 15.14 H new ATOM 0 HB2 PRO A 85 11.072 -9.828 13.317 1.00 11.03 H new ATOM 0 HB3 PRO A 85 11.807 -8.314 13.805 1.00 11.03 H new ATOM 0 HG2 PRO A 85 8.994 -8.835 12.862 1.00 42.31 H new ATOM 0 HG3 PRO A 85 9.541 -7.826 14.186 1.00 42.31 H new ATOM 0 HD2 PRO A 85 8.848 -6.763 11.776 1.00 73.51 H new ATOM 0 HD3 PRO A 85 10.091 -6.035 12.774 1.00 73.51 H new ATOM 1249 N VAL A 86 12.268 -10.274 10.119 1.00 31.53 N ATOM 1250 CA VAL A 86 12.086 -11.433 9.253 1.00 51.34 C ATOM 1251 C VAL A 86 12.813 -12.653 9.806 1.00 34.15 C ATOM 1252 O VAL A 86 13.850 -12.529 10.458 1.00 14.12 O ATOM 1253 CB VAL A 86 12.593 -11.151 7.826 1.00 75.04 C ATOM 1254 CG1 VAL A 86 12.213 -12.288 6.890 1.00 72.42 C ATOM 1255 CG2 VAL A 86 12.044 -9.826 7.318 1.00 61.12 C ATOM 0 H VAL A 86 13.228 -9.932 10.170 1.00 31.53 H new ATOM 0 HA VAL A 86 11.016 -11.637 9.218 1.00 51.34 H new ATOM 0 HB VAL A 86 13.680 -11.082 7.853 1.00 75.04 H new ATOM 0 HG11 VAL A 86 12.579 -12.071 5.887 1.00 72.42 H new ATOM 0 HG12 VAL A 86 12.659 -13.217 7.246 1.00 72.42 H new ATOM 0 HG13 VAL A 86 11.128 -12.392 6.865 1.00 72.42 H new ATOM 0 HG21 VAL A 86 12.412 -9.643 6.309 1.00 61.12 H new ATOM 0 HG22 VAL A 86 10.955 -9.864 7.306 1.00 61.12 H new ATOM 0 HG23 VAL A 86 12.371 -9.021 7.975 1.00 61.12 H new ATOM 1265 N VAL A 87 12.261 -13.834 9.542 1.00 4.44 N ATOM 1266 CA VAL A 87 12.858 -15.078 10.013 1.00 73.11 C ATOM 1267 C VAL A 87 13.690 -15.737 8.919 1.00 43.33 C ATOM 1268 O VAL A 87 13.215 -15.944 7.802 1.00 42.11 O ATOM 1269 CB VAL A 87 11.781 -16.071 10.491 1.00 3.42 C ATOM 1270 CG1 VAL A 87 12.416 -17.392 10.897 1.00 32.10 C ATOM 1271 CG2 VAL A 87 10.984 -15.477 11.642 1.00 13.25 C ATOM 0 H VAL A 87 11.402 -13.955 9.005 1.00 4.44 H new ATOM 0 HA VAL A 87 13.504 -14.821 10.852 1.00 73.11 H new ATOM 0 HB VAL A 87 11.096 -16.264 9.666 1.00 3.42 H new ATOM 0 HG11 VAL A 87 11.640 -18.081 11.232 1.00 32.10 H new ATOM 0 HG12 VAL A 87 12.939 -17.822 10.043 1.00 32.10 H new ATOM 0 HG13 VAL A 87 13.124 -17.221 11.708 1.00 32.10 H new ATOM 0 HG21 VAL A 87 10.228 -16.191 11.968 1.00 13.25 H new ATOM 0 HG22 VAL A 87 11.654 -15.255 12.472 1.00 13.25 H new ATOM 0 HG23 VAL A 87 10.498 -14.559 11.312 1.00 13.25 H new ATOM 1281 N PHE A 88 14.936 -16.064 9.247 1.00 73.42 N ATOM 1282 CA PHE A 88 15.836 -16.700 8.292 1.00 51.34 C ATOM 1283 C PHE A 88 16.271 -18.076 8.787 1.00 44.30 C ATOM 1284 O PHE A 88 16.302 -18.333 9.990 1.00 21.03 O ATOM 1285 CB PHE A 88 17.064 -15.819 8.053 1.00 61.14 C ATOM 1286 CG PHE A 88 16.943 -14.937 6.843 1.00 61.12 C ATOM 1287 CD1 PHE A 88 15.778 -14.228 6.600 1.00 72.02 C ATOM 1288 CD2 PHE A 88 17.994 -14.818 5.948 1.00 5.33 C ATOM 1289 CE1 PHE A 88 15.663 -13.415 5.488 1.00 63.23 C ATOM 1290 CE2 PHE A 88 17.886 -14.006 4.835 1.00 71.22 C ATOM 1291 CZ PHE A 88 16.718 -13.305 4.604 1.00 65.15 C ATOM 0 H PHE A 88 15.345 -15.899 10.167 1.00 73.42 H new ATOM 0 HA PHE A 88 15.299 -16.826 7.352 1.00 51.34 H new ATOM 0 HB2 PHE A 88 17.231 -15.196 8.932 1.00 61.14 H new ATOM 0 HB3 PHE A 88 17.942 -16.456 7.942 1.00 61.14 H new ATOM 0 HD1 PHE A 88 14.949 -14.311 7.288 1.00 72.02 H new ATOM 0 HD2 PHE A 88 18.908 -15.366 6.122 1.00 5.33 H new ATOM 0 HE1 PHE A 88 14.750 -12.867 5.311 1.00 63.23 H new ATOM 0 HE2 PHE A 88 18.714 -13.919 4.147 1.00 71.22 H new ATOM 0 HZ PHE A 88 16.630 -12.672 3.733 1.00 65.15 H new ATOM 1301 N SER A 89 16.607 -18.957 7.850 1.00 52.43 N ATOM 1302 CA SER A 89 17.036 -20.308 8.190 1.00 64.05 C ATOM 1303 C SER A 89 18.286 -20.694 7.404 1.00 21.33 C ATOM 1304 O SER A 89 18.475 -20.264 6.266 1.00 23.05 O ATOM 1305 CB SER A 89 15.914 -21.309 7.908 1.00 12.41 C ATOM 1306 OG SER A 89 15.269 -21.702 9.107 1.00 53.10 O ATOM 0 H SER A 89 16.590 -18.759 6.850 1.00 52.43 H new ATOM 0 HA SER A 89 17.274 -20.330 9.253 1.00 64.05 H new ATOM 0 HB2 SER A 89 15.187 -20.863 7.229 1.00 12.41 H new ATOM 0 HB3 SER A 89 16.322 -22.186 7.406 1.00 12.41 H new ATOM 0 HG SER A 89 15.940 -21.848 9.807 1.00 53.10 H new ATOM 1312 N ARG A 90 19.136 -21.509 8.021 1.00 42.03 N ATOM 1313 CA ARG A 90 20.369 -21.953 7.381 1.00 32.02 C ATOM 1314 C ARG A 90 20.537 -23.464 7.516 1.00 45.42 C ATOM 1315 O ARG A 90 21.135 -23.948 8.477 1.00 33.31 O ATOM 1316 CB ARG A 90 21.574 -21.238 7.995 1.00 14.25 C ATOM 1317 CG ARG A 90 22.181 -20.179 7.089 1.00 35.24 C ATOM 1318 CD ARG A 90 23.530 -19.708 7.609 1.00 32.20 C ATOM 1319 NE ARG A 90 23.403 -18.944 8.847 1.00 0.01 N ATOM 1320 CZ ARG A 90 24.387 -18.218 9.367 1.00 73.04 C ATOM 1321 NH1 ARG A 90 25.563 -18.158 8.758 1.00 1.51 N ATOM 1322 NH2 ARG A 90 24.194 -17.550 10.497 1.00 65.20 N ATOM 0 H ARG A 90 18.994 -21.875 8.962 1.00 42.03 H new ATOM 0 HA ARG A 90 20.309 -21.704 6.321 1.00 32.02 H new ATOM 0 HB2 ARG A 90 21.270 -20.771 8.932 1.00 14.25 H new ATOM 0 HB3 ARG A 90 22.338 -21.976 8.239 1.00 14.25 H new ATOM 0 HG2 ARG A 90 22.298 -20.583 6.083 1.00 35.24 H new ATOM 0 HG3 ARG A 90 21.502 -19.330 7.014 1.00 35.24 H new ATOM 0 HD2 ARG A 90 24.174 -20.571 7.780 1.00 32.20 H new ATOM 0 HD3 ARG A 90 24.016 -19.093 6.852 1.00 32.20 H new ATOM 0 HE ARG A 90 22.510 -18.969 9.340 1.00 0.01 H new ATOM 0 HH11 ARG A 90 25.714 -18.670 7.889 1.00 1.51 H new ATOM 0 HH12 ARG A 90 26.317 -17.600 9.159 1.00 1.51 H new ATOM 0 HH21 ARG A 90 23.290 -17.594 10.967 1.00 65.20 H new ATOM 0 HH22 ARG A 90 24.950 -16.993 10.896 1.00 65.20 H new ATOM 1336 N ASP A 91 20.007 -24.201 6.547 1.00 62.42 N ATOM 1337 CA ASP A 91 20.099 -25.657 6.556 1.00 2.24 C ATOM 1338 C ASP A 91 19.410 -26.237 7.787 1.00 14.23 C ATOM 1339 O ASP A 91 19.889 -27.200 8.384 1.00 71.23 O ATOM 1340 CB ASP A 91 21.564 -26.097 6.522 1.00 14.31 C ATOM 1341 CG ASP A 91 22.321 -25.497 5.354 1.00 3.51 C ATOM 1342 OD1 ASP A 91 22.618 -26.239 4.394 1.00 15.22 O ATOM 1343 OD2 ASP A 91 22.617 -24.284 5.399 1.00 22.45 O ATOM 0 H ASP A 91 19.509 -23.815 5.745 1.00 62.42 H new ATOM 0 HA ASP A 91 19.594 -26.034 5.667 1.00 2.24 H new ATOM 0 HB2 ASP A 91 22.049 -25.806 7.454 1.00 14.31 H new ATOM 0 HB3 ASP A 91 21.613 -27.184 6.463 1.00 14.31 H new ATOM 1348 N GLY A 92 18.281 -25.642 8.163 1.00 43.11 N ATOM 1349 CA GLY A 92 17.545 -26.112 9.322 1.00 72.24 C ATOM 1350 C GLY A 92 17.783 -25.253 10.548 1.00 72.33 C ATOM 1351 O GLY A 92 17.072 -25.373 11.546 1.00 44.10 O ATOM 0 H GLY A 92 17.864 -24.843 7.685 1.00 43.11 H new ATOM 0 HA2 GLY A 92 16.480 -26.124 9.092 1.00 72.24 H new ATOM 0 HA3 GLY A 92 17.835 -27.140 9.540 1.00 72.24 H new ATOM 1355 N VAL A 93 18.787 -24.385 10.474 1.00 14.13 N ATOM 1356 CA VAL A 93 19.117 -23.503 11.587 1.00 1.31 C ATOM 1357 C VAL A 93 18.002 -22.494 11.839 1.00 72.30 C ATOM 1358 O VAL A 93 17.382 -21.990 10.902 1.00 65.30 O ATOM 1359 CB VAL A 93 20.432 -22.743 11.330 1.00 63.51 C ATOM 1360 CG1 VAL A 93 20.645 -21.670 12.387 1.00 61.52 C ATOM 1361 CG2 VAL A 93 21.607 -23.710 11.295 1.00 13.33 C ATOM 0 H VAL A 93 19.385 -24.274 9.656 1.00 14.13 H new ATOM 0 HA VAL A 93 19.237 -24.136 12.467 1.00 1.31 H new ATOM 0 HB VAL A 93 20.364 -22.253 10.359 1.00 63.51 H new ATOM 0 HG11 VAL A 93 21.579 -21.144 12.189 1.00 61.52 H new ATOM 0 HG12 VAL A 93 19.817 -20.962 12.359 1.00 61.52 H new ATOM 0 HG13 VAL A 93 20.692 -22.134 13.372 1.00 61.52 H new ATOM 0 HG21 VAL A 93 22.528 -23.157 11.112 1.00 13.33 H new ATOM 0 HG22 VAL A 93 21.679 -24.230 12.250 1.00 13.33 H new ATOM 0 HG23 VAL A 93 21.456 -24.437 10.497 1.00 13.33 H new ATOM 1371 N VAL A 94 17.751 -22.203 13.111 1.00 33.45 N ATOM 1372 CA VAL A 94 16.711 -21.253 13.488 1.00 73.33 C ATOM 1373 C VAL A 94 17.315 -19.971 14.050 1.00 33.40 C ATOM 1374 O VAL A 94 17.923 -19.977 15.119 1.00 25.45 O ATOM 1375 CB VAL A 94 15.751 -21.856 14.530 1.00 14.14 C ATOM 1376 CG1 VAL A 94 14.705 -20.833 14.948 1.00 72.14 C ATOM 1377 CG2 VAL A 94 15.091 -23.112 13.983 1.00 73.50 C ATOM 0 H VAL A 94 18.254 -22.612 13.899 1.00 33.45 H new ATOM 0 HA VAL A 94 16.151 -21.020 12.582 1.00 73.33 H new ATOM 0 HB VAL A 94 16.328 -22.132 15.413 1.00 14.14 H new ATOM 0 HG11 VAL A 94 14.036 -21.277 15.685 1.00 72.14 H new ATOM 0 HG12 VAL A 94 15.199 -19.965 15.384 1.00 72.14 H new ATOM 0 HG13 VAL A 94 14.130 -20.523 14.075 1.00 72.14 H new ATOM 0 HG21 VAL A 94 14.416 -23.524 14.733 1.00 73.50 H new ATOM 0 HG22 VAL A 94 14.527 -22.864 13.084 1.00 73.50 H new ATOM 0 HG23 VAL A 94 15.857 -23.849 13.740 1.00 73.50 H new ATOM 1387 N MET A 95 17.141 -18.873 13.322 1.00 64.20 N ATOM 1388 CA MET A 95 17.668 -17.582 13.750 1.00 63.35 C ATOM 1389 C MET A 95 16.710 -16.455 13.380 1.00 51.40 C ATOM 1390 O MET A 95 15.875 -16.604 12.488 1.00 61.22 O ATOM 1391 CB MET A 95 19.038 -17.331 13.116 1.00 21.41 C ATOM 1392 CG MET A 95 19.880 -16.316 13.872 1.00 63.43 C ATOM 1393 SD MET A 95 20.401 -16.914 15.491 1.00 14.14 S ATOM 1394 CE MET A 95 22.179 -16.951 15.283 1.00 22.23 C ATOM 0 H MET A 95 16.640 -18.851 12.434 1.00 64.20 H new ATOM 0 HA MET A 95 17.776 -17.603 14.834 1.00 63.35 H new ATOM 0 HB2 MET A 95 19.582 -18.274 13.061 1.00 21.41 H new ATOM 0 HB3 MET A 95 18.898 -16.984 12.092 1.00 21.41 H new ATOM 0 HG2 MET A 95 20.761 -16.068 13.280 1.00 63.43 H new ATOM 0 HG3 MET A 95 19.309 -15.396 13.995 1.00 63.43 H new ATOM 0 HE1 MET A 95 22.646 -17.302 16.204 1.00 22.23 H new ATOM 0 HE2 MET A 95 22.436 -17.626 14.466 1.00 22.23 H new ATOM 0 HE3 MET A 95 22.539 -15.948 15.052 1.00 22.23 H new ATOM 1404 N SER A 96 16.836 -15.327 14.072 1.00 54.42 N ATOM 1405 CA SER A 96 15.978 -14.175 13.819 1.00 75.03 C ATOM 1406 C SER A 96 16.805 -12.900 13.683 1.00 70.41 C ATOM 1407 O SER A 96 17.656 -12.608 14.522 1.00 44.22 O ATOM 1408 CB SER A 96 14.956 -14.016 14.946 1.00 1.25 C ATOM 1409 OG SER A 96 15.597 -13.740 16.180 1.00 40.12 O ATOM 0 H SER A 96 17.524 -15.186 14.812 1.00 54.42 H new ATOM 0 HA SER A 96 15.450 -14.346 12.881 1.00 75.03 H new ATOM 0 HB2 SER A 96 14.265 -13.209 14.703 1.00 1.25 H new ATOM 0 HB3 SER A 96 14.364 -14.927 15.036 1.00 1.25 H new ATOM 0 HG SER A 96 16.499 -13.397 16.010 1.00 40.12 H new ATOM 1415 N ALA A 97 16.548 -12.146 12.620 1.00 55.14 N ATOM 1416 CA ALA A 97 17.266 -10.902 12.374 1.00 41.23 C ATOM 1417 C ALA A 97 16.336 -9.833 11.811 1.00 52.42 C ATOM 1418 O ALA A 97 15.483 -10.117 10.969 1.00 42.42 O ATOM 1419 CB ALA A 97 18.431 -11.144 11.425 1.00 53.42 C ATOM 0 H ALA A 97 15.847 -12.375 11.915 1.00 55.14 H new ATOM 0 HA ALA A 97 17.656 -10.542 13.326 1.00 41.23 H new ATOM 0 HB1 ALA A 97 18.959 -10.206 11.250 1.00 53.42 H new ATOM 0 HB2 ALA A 97 19.115 -11.868 11.866 1.00 53.42 H new ATOM 0 HB3 ALA A 97 18.055 -11.531 10.478 1.00 53.42 H new ATOM 1425 N THR A 98 16.504 -8.601 12.282 1.00 42.34 N ATOM 1426 CA THR A 98 15.679 -7.489 11.827 1.00 75.23 C ATOM 1427 C THR A 98 16.229 -6.887 10.539 1.00 55.30 C ATOM 1428 O THR A 98 17.388 -6.476 10.481 1.00 70.24 O ATOM 1429 CB THR A 98 15.583 -6.385 12.897 1.00 63.32 C ATOM 1430 OG1 THR A 98 15.447 -6.973 14.196 1.00 44.43 O ATOM 1431 CG2 THR A 98 14.402 -5.467 12.624 1.00 74.24 C ATOM 0 H THR A 98 17.205 -8.348 12.979 1.00 42.34 H new ATOM 0 HA THR A 98 14.683 -7.891 11.640 1.00 75.23 H new ATOM 0 HB THR A 98 16.498 -5.793 12.860 1.00 63.32 H new ATOM 0 HG1 THR A 98 15.388 -6.265 14.871 1.00 44.43 H new ATOM 0 HG21 THR A 98 14.355 -4.696 13.393 1.00 74.24 H new ATOM 0 HG22 THR A 98 14.523 -4.999 11.647 1.00 74.24 H new ATOM 0 HG23 THR A 98 13.480 -6.048 12.636 1.00 74.24 H new ATOM 1439 N ILE A 99 15.390 -6.836 9.510 1.00 71.14 N ATOM 1440 CA ILE A 99 15.793 -6.282 8.223 1.00 12.52 C ATOM 1441 C ILE A 99 15.003 -5.018 7.898 1.00 61.34 C ATOM 1442 O ILE A 99 13.772 -5.023 7.906 1.00 21.21 O ATOM 1443 CB ILE A 99 15.600 -7.301 7.085 1.00 22.44 C ATOM 1444 CG1 ILE A 99 16.476 -8.533 7.322 1.00 62.44 C ATOM 1445 CG2 ILE A 99 15.924 -6.664 5.742 1.00 21.14 C ATOM 1446 CD1 ILE A 99 15.793 -9.615 8.129 1.00 72.15 C ATOM 0 H ILE A 99 14.427 -7.171 9.542 1.00 71.14 H new ATOM 0 HA ILE A 99 16.852 -6.036 8.303 1.00 12.52 H new ATOM 0 HB ILE A 99 14.557 -7.616 7.072 1.00 22.44 H new ATOM 0 HG12 ILE A 99 16.777 -8.945 6.359 1.00 62.44 H new ATOM 0 HG13 ILE A 99 17.387 -8.227 7.837 1.00 62.44 H new ATOM 0 HG21 ILE A 99 15.783 -7.397 4.948 1.00 21.14 H new ATOM 0 HG22 ILE A 99 15.262 -5.814 5.573 1.00 21.14 H new ATOM 0 HG23 ILE A 99 16.959 -6.323 5.741 1.00 21.14 H new ATOM 0 HD11 ILE A 99 16.473 -10.457 8.257 1.00 72.15 H new ATOM 0 HD12 ILE A 99 15.516 -9.220 9.106 1.00 72.15 H new ATOM 0 HD13 ILE A 99 14.897 -9.949 7.605 1.00 72.15 H new ATOM 1458 N VAL A 100 15.720 -3.937 7.609 1.00 40.21 N ATOM 1459 CA VAL A 100 15.087 -2.666 7.277 1.00 72.00 C ATOM 1460 C VAL A 100 15.252 -2.340 5.797 1.00 52.21 C ATOM 1461 O VAL A 100 16.365 -2.119 5.319 1.00 14.31 O ATOM 1462 CB VAL A 100 15.671 -1.512 8.114 1.00 70.51 C ATOM 1463 CG1 VAL A 100 17.188 -1.488 8.005 1.00 71.31 C ATOM 1464 CG2 VAL A 100 15.075 -0.183 7.676 1.00 5.24 C ATOM 0 H VAL A 100 16.740 -3.916 7.598 1.00 40.21 H new ATOM 0 HA VAL A 100 14.027 -2.771 7.507 1.00 72.00 H new ATOM 0 HB VAL A 100 15.409 -1.675 9.159 1.00 70.51 H new ATOM 0 HG11 VAL A 100 17.583 -0.666 8.603 1.00 71.31 H new ATOM 0 HG12 VAL A 100 17.594 -2.431 8.371 1.00 71.31 H new ATOM 0 HG13 VAL A 100 17.476 -1.349 6.963 1.00 71.31 H new ATOM 0 HG21 VAL A 100 15.498 0.621 8.277 1.00 5.24 H new ATOM 0 HG22 VAL A 100 15.305 -0.010 6.625 1.00 5.24 H new ATOM 0 HG23 VAL A 100 13.994 -0.207 7.811 1.00 5.24 H new ATOM 1474 N VAL A 101 14.136 -2.311 5.075 1.00 41.01 N ATOM 1475 CA VAL A 101 14.156 -2.010 3.648 1.00 1.05 C ATOM 1476 C VAL A 101 13.708 -0.577 3.383 1.00 64.01 C ATOM 1477 O VAL A 101 12.553 -0.223 3.615 1.00 62.32 O ATOM 1478 CB VAL A 101 13.251 -2.974 2.859 1.00 53.23 C ATOM 1479 CG1 VAL A 101 13.255 -2.619 1.380 1.00 60.35 C ATOM 1480 CG2 VAL A 101 13.692 -4.414 3.072 1.00 43.23 C ATOM 0 H VAL A 101 13.207 -2.492 5.455 1.00 41.01 H new ATOM 0 HA VAL A 101 15.186 -2.134 3.312 1.00 1.05 H new ATOM 0 HB VAL A 101 12.231 -2.873 3.230 1.00 53.23 H new ATOM 0 HG11 VAL A 101 12.610 -3.311 0.838 1.00 60.35 H new ATOM 0 HG12 VAL A 101 12.887 -1.601 1.249 1.00 60.35 H new ATOM 0 HG13 VAL A 101 14.271 -2.690 0.992 1.00 60.35 H new ATOM 0 HG21 VAL A 101 13.041 -5.081 2.507 1.00 43.23 H new ATOM 0 HG22 VAL A 101 14.720 -4.534 2.730 1.00 43.23 H new ATOM 0 HG23 VAL A 101 13.631 -4.660 4.132 1.00 43.23 H new ATOM 1490 N GLY A 102 14.632 0.245 2.894 1.00 62.11 N ATOM 1491 CA GLY A 102 14.313 1.631 2.604 1.00 64.30 C ATOM 1492 C GLY A 102 14.417 1.953 1.126 1.00 21.44 C ATOM 1493 O GLY A 102 15.512 1.979 0.566 1.00 24.42 O ATOM 0 H GLY A 102 15.595 -0.024 2.694 1.00 62.11 H new ATOM 0 HA2 GLY A 102 13.302 1.848 2.950 1.00 64.30 H new ATOM 0 HA3 GLY A 102 14.987 2.280 3.162 1.00 64.30 H new ATOM 1497 N GLU A 103 13.274 2.197 0.494 1.00 73.12 N ATOM 1498 CA GLU A 103 13.242 2.516 -0.929 1.00 35.13 C ATOM 1499 C GLU A 103 13.663 3.962 -1.172 1.00 4.24 C ATOM 1500 O GLU A 103 14.314 4.272 -2.171 1.00 23.45 O ATOM 1501 CB GLU A 103 11.840 2.280 -1.495 1.00 71.04 C ATOM 1502 CG GLU A 103 11.348 0.852 -1.329 1.00 25.13 C ATOM 1503 CD GLU A 103 10.416 0.690 -0.144 1.00 2.33 C ATOM 1504 OE1 GLU A 103 10.700 -0.164 0.722 1.00 64.34 O ATOM 1505 OE2 GLU A 103 9.403 1.418 -0.082 1.00 22.44 O ATOM 0 H GLU A 103 12.359 2.180 0.944 1.00 73.12 H new ATOM 0 HA GLU A 103 13.948 1.860 -1.438 1.00 35.13 H new ATOM 0 HB2 GLU A 103 11.140 2.956 -1.003 1.00 71.04 H new ATOM 0 HB3 GLU A 103 11.838 2.535 -2.555 1.00 71.04 H new ATOM 0 HG2 GLU A 103 10.832 0.542 -2.237 1.00 25.13 H new ATOM 0 HG3 GLU A 103 12.204 0.189 -1.206 1.00 25.13 H new