USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 Single : A 1 ALA N :NH3+ -127:sc= -0.209 (180deg=-1.76!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc=-0.00621 USER MOD Single : A 12 HIS : no HD1:sc= -0.615 K(o=-0.62,f=-0.056) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 28 THR OG1 : rot 39:sc= 0.184 USER MOD Single : A 30 THR OG1 : rot -105:sc= 0.352 USER MOD Single : A 32 THR OG1 : rot 180:sc=0.000643 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc=-0.00925 X(o=-0.0092,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -37:sc= 0.782 USER MOD Single : A 53 ASN : amide:sc= -1.6 K(o=-1.6,f=-8.9!) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00626) USER MOD Single : A 56 GLN : amide:sc= 0.098 K(o=0.098,f=-2.9!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.069 0.319 -0.080 1.00 64.21 N ATOM 2 CA ALA A 1 1.795 0.325 -1.344 1.00 64.51 C ATOM 3 C ALA A 1 0.847 0.137 -2.523 1.00 55.30 C ATOM 4 O ALA A 1 0.849 -0.894 -3.195 1.00 32.40 O ATOM 5 CB ALA A 1 2.862 -0.761 -1.345 1.00 11.41 C ATOM 0 H1 ALA A 1 1.310 1.172 0.463 1.00 64.21 H new ATOM 0 H2 ALA A 1 0.046 0.306 -0.267 1.00 64.21 H new ATOM 0 H3 ALA A 1 1.332 -0.525 0.467 1.00 64.21 H new ATOM 0 HA ALA A 1 2.279 1.296 -1.452 1.00 64.51 H new ATOM 0 HB1 ALA A 1 3.396 -0.745 -2.295 1.00 11.41 H new ATOM 0 HB2 ALA A 1 3.564 -0.582 -0.531 1.00 11.41 H new ATOM 0 HB3 ALA A 1 2.390 -1.734 -1.210 1.00 11.41 H new ATOM 11 N PRO A 2 0.014 1.157 -2.782 1.00 24.13 N ATOM 12 CA PRO A 2 -0.956 1.128 -3.880 1.00 63.13 C ATOM 13 C PRO A 2 -0.285 1.200 -5.248 1.00 30.11 C ATOM 14 O PRO A 2 0.938 1.117 -5.355 1.00 1.01 O ATOM 15 CB PRO A 2 -1.806 2.377 -3.635 1.00 74.35 C ATOM 16 CG PRO A 2 -0.918 3.297 -2.872 1.00 23.32 C ATOM 17 CD PRO A 2 -0.043 2.417 -2.022 1.00 32.02 C ATOM 0 HA PRO A 2 -1.530 0.201 -3.893 1.00 63.13 H new ATOM 0 HB2 PRO A 2 -2.128 2.827 -4.574 1.00 74.35 H new ATOM 0 HB3 PRO A 2 -2.707 2.138 -3.070 1.00 74.35 H new ATOM 0 HG2 PRO A 2 -0.319 3.909 -3.546 1.00 23.32 H new ATOM 0 HG3 PRO A 2 -1.502 3.980 -2.255 1.00 23.32 H new ATOM 0 HD2 PRO A 2 0.948 2.849 -1.885 1.00 32.02 H new ATOM 0 HD3 PRO A 2 -0.466 2.268 -1.029 1.00 32.02 H new ATOM 25 N ALA A 3 -1.094 1.355 -6.291 1.00 2.30 N ATOM 26 CA ALA A 3 -0.578 1.441 -7.651 1.00 42.05 C ATOM 27 C ALA A 3 -0.368 2.893 -8.069 1.00 33.33 C ATOM 28 O ALA A 3 -1.243 3.737 -7.874 1.00 72.21 O ATOM 29 CB ALA A 3 -1.522 0.743 -8.619 1.00 61.20 C ATOM 0 H ALA A 3 -2.109 1.424 -6.220 1.00 2.30 H new ATOM 0 HA ALA A 3 0.389 0.939 -7.678 1.00 42.05 H new ATOM 0 HB1 ALA A 3 -1.124 0.815 -9.631 1.00 61.20 H new ATOM 0 HB2 ALA A 3 -1.618 -0.307 -8.341 1.00 61.20 H new ATOM 0 HB3 ALA A 3 -2.501 1.220 -8.580 1.00 61.20 H new ATOM 35 N ARG A 4 0.796 3.177 -8.642 1.00 64.53 N ATOM 36 CA ARG A 4 1.121 4.527 -9.085 1.00 40.20 C ATOM 37 C ARG A 4 1.789 4.504 -10.457 1.00 34.11 C ATOM 38 O ARG A 4 2.667 3.681 -10.718 1.00 11.43 O ATOM 39 CB ARG A 4 2.039 5.212 -8.071 1.00 12.40 C ATOM 40 CG ARG A 4 3.258 4.386 -7.697 1.00 61.41 C ATOM 41 CD ARG A 4 3.242 4.004 -6.225 1.00 64.12 C ATOM 42 NE ARG A 4 4.583 3.723 -5.718 1.00 72.01 N ATOM 43 CZ ARG A 4 4.831 3.331 -4.473 1.00 54.23 C ATOM 44 NH1 ARG A 4 3.834 3.174 -3.613 1.00 53.43 N ATOM 45 NH2 ARG A 4 6.078 3.095 -4.087 1.00 33.14 N ATOM 0 H ARG A 4 1.531 2.490 -8.811 1.00 64.53 H new ATOM 0 HA ARG A 4 0.191 5.090 -9.162 1.00 40.20 H new ATOM 0 HB2 ARG A 4 2.369 6.167 -8.480 1.00 12.40 H new ATOM 0 HB3 ARG A 4 1.469 5.432 -7.168 1.00 12.40 H new ATOM 0 HG2 ARG A 4 3.289 3.484 -8.308 1.00 61.41 H new ATOM 0 HG3 ARG A 4 4.164 4.951 -7.917 1.00 61.41 H new ATOM 0 HD2 ARG A 4 2.797 4.813 -5.645 1.00 64.12 H new ATOM 0 HD3 ARG A 4 2.610 3.127 -6.085 1.00 64.12 H new ATOM 0 HE ARG A 4 5.372 3.834 -6.355 1.00 72.01 H new ATOM 0 HH11 ARG A 4 2.874 3.354 -3.907 1.00 53.43 H new ATOM 0 HH12 ARG A 4 4.027 2.873 -2.658 1.00 53.43 H new ATOM 0 HH21 ARG A 4 6.847 3.214 -4.746 1.00 33.14 H new ATOM 0 HH22 ARG A 4 6.268 2.794 -3.131 1.00 33.14 H new ATOM 59 N PHE A 5 1.366 5.412 -11.331 1.00 34.54 N ATOM 60 CA PHE A 5 1.921 5.494 -12.676 1.00 41.43 C ATOM 61 C PHE A 5 1.979 6.943 -13.153 1.00 30.14 C ATOM 62 O PHE A 5 1.501 7.852 -12.473 1.00 31.41 O ATOM 63 CB PHE A 5 1.085 4.659 -13.648 1.00 42.13 C ATOM 64 CG PHE A 5 1.593 3.257 -13.824 1.00 25.30 C ATOM 65 CD1 PHE A 5 1.215 2.253 -12.947 1.00 13.43 C ATOM 66 CD2 PHE A 5 2.451 2.942 -14.866 1.00 74.21 C ATOM 67 CE1 PHE A 5 1.680 0.962 -13.106 1.00 23.34 C ATOM 68 CE2 PHE A 5 2.919 1.652 -15.030 1.00 70.03 C ATOM 69 CZ PHE A 5 2.534 0.661 -14.148 1.00 44.04 C ATOM 0 H PHE A 5 0.641 6.101 -11.131 1.00 34.54 H new ATOM 0 HA PHE A 5 2.936 5.098 -12.648 1.00 41.43 H new ATOM 0 HB2 PHE A 5 0.056 4.622 -13.290 1.00 42.13 H new ATOM 0 HB3 PHE A 5 1.067 5.155 -14.618 1.00 42.13 H new ATOM 0 HD1 PHE A 5 0.548 2.483 -12.129 1.00 13.43 H new ATOM 0 HD2 PHE A 5 2.757 3.713 -15.557 1.00 74.21 H new ATOM 0 HE1 PHE A 5 1.376 0.189 -12.416 1.00 23.34 H new ATOM 0 HE2 PHE A 5 3.585 1.419 -15.847 1.00 70.03 H new ATOM 0 HZ PHE A 5 2.900 -0.347 -14.273 1.00 44.04 H new ATOM 79 N CYS A 6 2.568 7.151 -14.325 1.00 65.32 N ATOM 80 CA CYS A 6 2.691 8.487 -14.894 1.00 1.52 C ATOM 81 C CYS A 6 2.362 8.477 -16.384 1.00 11.12 C ATOM 82 O CYS A 6 2.882 7.657 -17.140 1.00 64.11 O ATOM 83 CB CYS A 6 4.105 9.029 -14.677 1.00 3.25 C ATOM 84 SG CYS A 6 4.563 9.232 -12.925 1.00 31.11 S ATOM 0 H CYS A 6 2.968 6.410 -14.900 1.00 65.32 H new ATOM 0 HA CYS A 6 1.978 9.137 -14.387 1.00 1.52 H new ATOM 0 HB2 CYS A 6 4.818 8.355 -15.152 1.00 3.25 H new ATOM 0 HB3 CYS A 6 4.194 9.993 -15.179 1.00 3.25 H new ATOM 89 N VAL A 7 1.494 9.395 -16.799 1.00 21.41 N ATOM 90 CA VAL A 7 1.096 9.493 -18.198 1.00 70.41 C ATOM 91 C VAL A 7 1.472 10.849 -18.783 1.00 1.53 C ATOM 92 O VAL A 7 1.437 11.867 -18.090 1.00 61.21 O ATOM 93 CB VAL A 7 -0.420 9.275 -18.367 1.00 5.50 C ATOM 94 CG1 VAL A 7 -0.772 7.807 -18.187 1.00 60.21 C ATOM 95 CG2 VAL A 7 -1.194 10.142 -17.386 1.00 11.23 C ATOM 0 H VAL A 7 1.053 10.081 -16.186 1.00 21.41 H new ATOM 0 HA VAL A 7 1.630 8.709 -18.735 1.00 70.41 H new ATOM 0 HB VAL A 7 -0.702 9.569 -19.378 1.00 5.50 H new ATOM 0 HG11 VAL A 7 -1.847 7.673 -18.310 1.00 60.21 H new ATOM 0 HG12 VAL A 7 -0.244 7.212 -18.933 1.00 60.21 H new ATOM 0 HG13 VAL A 7 -0.478 7.482 -17.189 1.00 60.21 H new ATOM 0 HG21 VAL A 7 -2.263 9.976 -17.519 1.00 11.23 H new ATOM 0 HG22 VAL A 7 -0.910 9.881 -16.367 1.00 11.23 H new ATOM 0 HG23 VAL A 7 -0.964 11.192 -17.569 1.00 11.23 H new ATOM 105 N TYR A 8 1.831 10.857 -20.061 1.00 44.34 N ATOM 106 CA TYR A 8 2.216 12.089 -20.740 1.00 3.33 C ATOM 107 C TYR A 8 1.195 12.464 -21.810 1.00 22.04 C ATOM 108 O TYR A 8 0.807 11.633 -22.631 1.00 52.43 O ATOM 109 CB TYR A 8 3.601 11.937 -21.371 1.00 40.24 C ATOM 110 CG TYR A 8 4.505 13.127 -21.141 1.00 65.23 C ATOM 111 CD1 TYR A 8 4.744 13.606 -19.859 1.00 70.32 C ATOM 112 CD2 TYR A 8 5.122 13.771 -22.207 1.00 5.34 C ATOM 113 CE1 TYR A 8 5.569 14.693 -19.645 1.00 31.34 C ATOM 114 CE2 TYR A 8 5.950 14.858 -22.001 1.00 42.23 C ATOM 115 CZ TYR A 8 6.170 15.315 -20.719 1.00 11.33 C ATOM 116 OH TYR A 8 6.994 16.398 -20.509 1.00 34.40 O ATOM 0 H TYR A 8 1.864 10.024 -20.649 1.00 44.34 H new ATOM 0 HA TYR A 8 2.248 12.888 -19.999 1.00 3.33 H new ATOM 0 HB2 TYR A 8 4.079 11.045 -20.967 1.00 40.24 H new ATOM 0 HB3 TYR A 8 3.487 11.780 -22.444 1.00 40.24 H new ATOM 0 HD1 TYR A 8 4.277 13.120 -19.015 1.00 70.32 H new ATOM 0 HD2 TYR A 8 4.952 13.416 -23.213 1.00 5.34 H new ATOM 0 HE1 TYR A 8 5.742 15.054 -18.642 1.00 31.34 H new ATOM 0 HE2 TYR A 8 6.422 15.347 -22.840 1.00 42.23 H new ATOM 0 HH TYR A 8 7.338 16.719 -21.369 1.00 34.40 H new ATOM 126 N TYR A 9 0.765 13.721 -21.793 1.00 21.41 N ATOM 127 CA TYR A 9 -0.212 14.207 -22.760 1.00 31.14 C ATOM 128 C TYR A 9 0.345 15.386 -23.552 1.00 22.33 C ATOM 129 O TYR A 9 1.473 15.825 -23.323 1.00 35.52 O ATOM 130 CB TYR A 9 -1.502 14.620 -22.049 1.00 20.12 C ATOM 131 CG TYR A 9 -2.247 13.461 -21.425 1.00 54.44 C ATOM 132 CD1 TYR A 9 -3.048 12.629 -22.197 1.00 74.01 C ATOM 133 CD2 TYR A 9 -2.150 13.199 -20.064 1.00 64.14 C ATOM 134 CE1 TYR A 9 -3.732 11.570 -21.631 1.00 43.05 C ATOM 135 CE2 TYR A 9 -2.828 12.141 -19.490 1.00 52.24 C ATOM 136 CZ TYR A 9 -3.618 11.330 -20.278 1.00 13.11 C ATOM 137 OH TYR A 9 -4.296 10.275 -19.711 1.00 12.30 O ATOM 0 H TYR A 9 1.078 14.421 -21.121 1.00 21.41 H new ATOM 0 HA TYR A 9 -0.431 13.397 -23.455 1.00 31.14 H new ATOM 0 HB2 TYR A 9 -1.263 15.347 -21.273 1.00 20.12 H new ATOM 0 HB3 TYR A 9 -2.157 15.120 -22.763 1.00 20.12 H new ATOM 0 HD1 TYR A 9 -3.138 12.813 -23.257 1.00 74.01 H new ATOM 0 HD2 TYR A 9 -1.534 13.833 -19.444 1.00 64.14 H new ATOM 0 HE1 TYR A 9 -4.352 10.934 -22.245 1.00 43.05 H new ATOM 0 HE2 TYR A 9 -2.740 11.950 -18.431 1.00 52.24 H new ATOM 0 HH TYR A 9 -4.108 10.244 -18.750 1.00 12.30 H new ATOM 147 N ASP A 10 -0.453 15.894 -24.484 1.00 14.04 N ATOM 148 CA ASP A 10 -0.042 17.023 -25.310 1.00 15.44 C ATOM 149 C ASP A 10 -1.034 18.176 -25.186 1.00 73.05 C ATOM 150 O ASP A 10 -2.214 17.966 -24.908 1.00 51.12 O ATOM 151 CB ASP A 10 0.081 16.595 -26.773 1.00 31.45 C ATOM 152 CG ASP A 10 1.444 16.910 -27.355 1.00 43.44 C ATOM 153 OD1 ASP A 10 2.451 16.750 -26.633 1.00 15.11 O ATOM 154 OD2 ASP A 10 1.505 17.317 -28.534 1.00 43.13 O ATOM 0 H ASP A 10 -1.389 15.542 -24.687 1.00 14.04 H new ATOM 0 HA ASP A 10 0.931 17.364 -24.957 1.00 15.44 H new ATOM 0 HB2 ASP A 10 -0.106 15.524 -26.852 1.00 31.45 H new ATOM 0 HB3 ASP A 10 -0.687 17.097 -27.361 1.00 31.45 H new ATOM 159 N GLY A 11 -0.546 19.395 -25.395 1.00 11.22 N ATOM 160 CA GLY A 11 -1.402 20.563 -25.301 1.00 55.14 C ATOM 161 C GLY A 11 -2.655 20.433 -26.146 1.00 25.01 C ATOM 162 O GLY A 11 -2.608 20.588 -27.367 1.00 23.03 O ATOM 0 H GLY A 11 0.427 19.594 -25.628 1.00 11.22 H new ATOM 0 HA2 GLY A 11 -1.684 20.720 -24.260 1.00 55.14 H new ATOM 0 HA3 GLY A 11 -0.844 21.445 -25.617 1.00 55.14 H new ATOM 166 N HIS A 12 -3.778 20.146 -25.496 1.00 22.22 N ATOM 167 CA HIS A 12 -5.049 19.994 -26.196 1.00 24.55 C ATOM 168 C HIS A 12 -6.203 19.869 -25.205 1.00 44.23 C ATOM 169 O HIS A 12 -6.151 19.065 -24.274 1.00 32.13 O ATOM 170 CB HIS A 12 -5.009 18.767 -27.107 1.00 71.32 C ATOM 171 CG HIS A 12 -5.172 19.094 -28.560 1.00 1.35 C ATOM 172 ND1 HIS A 12 -5.795 18.252 -29.456 1.00 32.22 N ATOM 173 CD2 HIS A 12 -4.790 20.181 -29.270 1.00 42.02 C ATOM 174 CE1 HIS A 12 -5.788 18.805 -30.655 1.00 41.42 C ATOM 175 NE2 HIS A 12 -5.184 19.977 -30.570 1.00 10.03 N ATOM 0 H HIS A 12 -3.834 20.014 -24.486 1.00 22.22 H new ATOM 0 HA HIS A 12 -5.210 20.884 -26.804 1.00 24.55 H new ATOM 0 HB2 HIS A 12 -4.061 18.249 -26.964 1.00 71.32 H new ATOM 0 HB3 HIS A 12 -5.798 18.077 -26.808 1.00 71.32 H new ATOM 0 HD2 HIS A 12 -4.272 21.047 -28.886 1.00 42.02 H new ATOM 0 HE1 HIS A 12 -6.205 18.373 -31.553 1.00 41.42 H new ATOM 0 HE2 HIS A 12 -5.035 20.625 -31.344 1.00 10.03 H new ATOM 183 N LEU A 13 -7.242 20.670 -25.412 1.00 1.40 N ATOM 184 CA LEU A 13 -8.409 20.651 -24.537 1.00 20.20 C ATOM 185 C LEU A 13 -8.925 19.228 -24.349 1.00 23.31 C ATOM 186 O LEU A 13 -8.627 18.325 -25.131 1.00 24.31 O ATOM 187 CB LEU A 13 -9.517 21.535 -25.112 1.00 2.11 C ATOM 188 CG LEU A 13 -9.690 22.906 -24.456 1.00 63.33 C ATOM 189 CD1 LEU A 13 -8.370 23.661 -24.442 1.00 23.34 C ATOM 190 CD2 LEU A 13 -10.759 23.712 -25.179 1.00 72.53 C ATOM 0 H LEU A 13 -7.300 21.341 -26.178 1.00 1.40 H new ATOM 0 HA LEU A 13 -8.109 21.041 -23.564 1.00 20.20 H new ATOM 0 HB2 LEU A 13 -9.321 21.685 -26.174 1.00 2.11 H new ATOM 0 HB3 LEU A 13 -10.461 20.996 -25.035 1.00 2.11 H new ATOM 0 HG LEU A 13 -10.011 22.756 -23.425 1.00 63.33 H new ATOM 0 HD11 LEU A 13 -8.512 24.634 -23.972 1.00 23.34 H new ATOM 0 HD12 LEU A 13 -7.631 23.091 -23.880 1.00 23.34 H new ATOM 0 HD13 LEU A 13 -8.020 23.800 -25.465 1.00 23.34 H new ATOM 0 HD21 LEU A 13 -10.869 24.684 -24.699 1.00 72.53 H new ATOM 0 HD22 LEU A 13 -10.467 23.852 -26.220 1.00 72.53 H new ATOM 0 HD23 LEU A 13 -11.708 23.178 -25.137 1.00 72.53 H new ATOM 202 N PRO A 14 -9.719 19.021 -23.288 1.00 52.30 N ATOM 203 CA PRO A 14 -10.296 17.711 -22.974 1.00 23.41 C ATOM 204 C PRO A 14 -11.363 17.291 -23.979 1.00 14.24 C ATOM 205 O PRO A 14 -11.837 16.155 -23.958 1.00 2.54 O ATOM 206 CB PRO A 14 -10.916 17.918 -21.590 1.00 1.40 C ATOM 207 CG PRO A 14 -11.200 19.379 -21.518 1.00 10.04 C ATOM 208 CD PRO A 14 -10.116 20.052 -22.314 1.00 32.31 C ATOM 0 HA PRO A 14 -9.548 16.919 -23.006 1.00 23.41 H new ATOM 0 HB2 PRO A 14 -11.827 17.331 -21.472 1.00 1.40 H new ATOM 0 HB3 PRO A 14 -10.233 17.608 -20.799 1.00 1.40 H new ATOM 0 HG2 PRO A 14 -12.184 19.606 -21.929 1.00 10.04 H new ATOM 0 HG3 PRO A 14 -11.198 19.726 -20.485 1.00 10.04 H new ATOM 0 HD2 PRO A 14 -10.480 20.953 -22.808 1.00 32.31 H new ATOM 0 HD3 PRO A 14 -9.280 20.351 -21.682 1.00 32.31 H new ATOM 216 N ALA A 15 -11.738 18.215 -24.858 1.00 1.05 N ATOM 217 CA ALA A 15 -12.748 17.940 -25.872 1.00 21.33 C ATOM 218 C ALA A 15 -12.206 17.003 -26.946 1.00 42.33 C ATOM 219 O ALA A 15 -12.922 16.137 -27.450 1.00 13.24 O ATOM 220 CB ALA A 15 -13.235 19.238 -26.497 1.00 53.14 C ATOM 0 H ALA A 15 -11.357 19.161 -24.888 1.00 1.05 H new ATOM 0 HA ALA A 15 -13.590 17.446 -25.387 1.00 21.33 H new ATOM 0 HB1 ALA A 15 -13.989 19.018 -27.253 1.00 53.14 H new ATOM 0 HB2 ALA A 15 -13.670 19.873 -25.725 1.00 53.14 H new ATOM 0 HB3 ALA A 15 -12.396 19.755 -26.962 1.00 53.14 H new ATOM 226 N THR A 16 -10.936 17.182 -27.295 1.00 45.51 N ATOM 227 CA THR A 16 -10.298 16.355 -28.311 1.00 40.04 C ATOM 228 C THR A 16 -8.882 15.971 -27.899 1.00 23.24 C ATOM 229 O THR A 16 -8.021 15.732 -28.746 1.00 73.21 O ATOM 230 CB THR A 16 -10.246 17.076 -29.672 1.00 33.04 C ATOM 231 OG1 THR A 16 -11.099 18.226 -29.649 1.00 5.50 O ATOM 232 CG2 THR A 16 -10.674 16.144 -30.795 1.00 33.41 C ATOM 0 H THR A 16 -10.329 17.893 -26.888 1.00 45.51 H new ATOM 0 HA THR A 16 -10.902 15.453 -28.408 1.00 40.04 H new ATOM 0 HB THR A 16 -9.218 17.389 -29.854 1.00 33.04 H new ATOM 0 HG1 THR A 16 -11.059 18.680 -30.517 1.00 5.50 H new ATOM 0 HG21 THR A 16 -10.629 16.675 -31.746 1.00 33.41 H new ATOM 0 HG22 THR A 16 -10.006 15.284 -30.828 1.00 33.41 H new ATOM 0 HG23 THR A 16 -11.694 15.804 -30.617 1.00 33.41 H new ATOM 240 N ARG A 17 -8.646 15.913 -26.592 1.00 34.41 N ATOM 241 CA ARG A 17 -7.333 15.558 -26.067 1.00 74.41 C ATOM 242 C ARG A 17 -6.834 14.256 -26.687 1.00 30.21 C ATOM 243 O ARG A 17 -7.612 13.485 -27.250 1.00 0.24 O ATOM 244 CB ARG A 17 -7.389 15.422 -24.544 1.00 60.44 C ATOM 245 CG ARG A 17 -8.084 14.155 -24.071 1.00 3.30 C ATOM 246 CD ARG A 17 -8.910 14.408 -22.819 1.00 63.34 C ATOM 247 NE ARG A 17 -9.117 13.187 -22.045 1.00 1.01 N ATOM 248 CZ ARG A 17 -8.174 12.620 -21.300 1.00 51.32 C ATOM 249 NH1 ARG A 17 -6.966 13.162 -21.229 1.00 60.23 N ATOM 250 NH2 ARG A 17 -8.439 11.510 -20.624 1.00 33.10 N ATOM 0 H ARG A 17 -9.347 16.107 -25.877 1.00 34.41 H new ATOM 0 HA ARG A 17 -6.637 16.355 -26.328 1.00 74.41 H new ATOM 0 HB2 ARG A 17 -6.373 15.439 -24.149 1.00 60.44 H new ATOM 0 HB3 ARG A 17 -7.907 16.287 -24.129 1.00 60.44 H new ATOM 0 HG2 ARG A 17 -8.729 13.775 -24.863 1.00 3.30 H new ATOM 0 HG3 ARG A 17 -7.340 13.384 -23.868 1.00 3.30 H new ATOM 0 HD2 ARG A 17 -8.409 15.151 -22.198 1.00 63.34 H new ATOM 0 HD3 ARG A 17 -9.876 14.827 -23.100 1.00 63.34 H new ATOM 0 HE ARG A 17 -10.036 12.745 -22.078 1.00 1.01 H new ATOM 0 HH11 ARG A 17 -6.759 14.016 -21.747 1.00 60.23 H new ATOM 0 HH12 ARG A 17 -6.244 12.725 -20.656 1.00 60.23 H new ATOM 0 HH21 ARG A 17 -9.367 11.091 -20.676 1.00 33.10 H new ATOM 0 HH22 ARG A 17 -7.714 11.076 -20.052 1.00 33.10 H new ATOM 264 N VAL A 18 -5.531 14.017 -26.580 1.00 43.20 N ATOM 265 CA VAL A 18 -4.927 12.809 -27.129 1.00 71.11 C ATOM 266 C VAL A 18 -3.797 12.306 -26.239 1.00 24.23 C ATOM 267 O VAL A 18 -2.891 13.060 -25.881 1.00 2.03 O ATOM 268 CB VAL A 18 -4.379 13.050 -28.548 1.00 55.24 C ATOM 269 CG1 VAL A 18 -3.908 11.744 -29.168 1.00 71.43 C ATOM 270 CG2 VAL A 18 -5.435 13.713 -29.421 1.00 3.55 C ATOM 0 H VAL A 18 -4.873 14.645 -26.118 1.00 43.20 H new ATOM 0 HA VAL A 18 -5.713 12.055 -27.174 1.00 71.11 H new ATOM 0 HB VAL A 18 -3.523 13.721 -28.479 1.00 55.24 H new ATOM 0 HG11 VAL A 18 -3.524 11.935 -30.170 1.00 71.43 H new ATOM 0 HG12 VAL A 18 -3.118 11.313 -28.553 1.00 71.43 H new ATOM 0 HG13 VAL A 18 -4.744 11.047 -29.226 1.00 71.43 H new ATOM 0 HG21 VAL A 18 -5.031 13.876 -30.420 1.00 3.55 H new ATOM 0 HG22 VAL A 18 -6.312 13.068 -29.485 1.00 3.55 H new ATOM 0 HG23 VAL A 18 -5.720 14.670 -28.984 1.00 3.55 H new ATOM 280 N LEU A 19 -3.855 11.027 -25.884 1.00 64.12 N ATOM 281 CA LEU A 19 -2.835 10.421 -25.035 1.00 43.21 C ATOM 282 C LEU A 19 -1.587 10.078 -25.843 1.00 11.21 C ATOM 283 O LEU A 19 -1.671 9.449 -26.899 1.00 14.33 O ATOM 284 CB LEU A 19 -3.384 9.161 -24.364 1.00 51.11 C ATOM 285 CG LEU A 19 -2.491 8.524 -23.299 1.00 62.01 C ATOM 286 CD1 LEU A 19 -3.333 7.947 -22.172 1.00 22.12 C ATOM 287 CD2 LEU A 19 -1.611 7.446 -23.916 1.00 13.21 C ATOM 0 H LEU A 19 -4.598 10.389 -26.171 1.00 64.12 H new ATOM 0 HA LEU A 19 -2.561 11.144 -24.267 1.00 43.21 H new ATOM 0 HB2 LEU A 19 -4.343 9.406 -23.907 1.00 51.11 H new ATOM 0 HB3 LEU A 19 -3.580 8.418 -25.137 1.00 51.11 H new ATOM 0 HG LEU A 19 -1.846 9.298 -22.883 1.00 62.01 H new ATOM 0 HD11 LEU A 19 -2.680 7.498 -21.423 1.00 22.12 H new ATOM 0 HD12 LEU A 19 -3.919 8.742 -21.712 1.00 22.12 H new ATOM 0 HD13 LEU A 19 -4.004 7.186 -22.572 1.00 22.12 H new ATOM 0 HD21 LEU A 19 -0.982 7.003 -23.144 1.00 13.21 H new ATOM 0 HD22 LEU A 19 -2.239 6.673 -24.359 1.00 13.21 H new ATOM 0 HD23 LEU A 19 -0.981 7.888 -24.688 1.00 13.21 H new ATOM 299 N LEU A 20 -0.430 10.493 -25.339 1.00 51.23 N ATOM 300 CA LEU A 20 0.837 10.228 -26.013 1.00 34.03 C ATOM 301 C LEU A 20 1.285 8.788 -25.783 1.00 14.24 C ATOM 302 O LEU A 20 1.425 8.013 -26.728 1.00 42.11 O ATOM 303 CB LEU A 20 1.913 11.195 -25.516 1.00 20.41 C ATOM 304 CG LEU A 20 1.594 12.684 -25.654 1.00 73.44 C ATOM 305 CD1 LEU A 20 2.552 13.515 -24.816 1.00 40.21 C ATOM 306 CD2 LEU A 20 1.653 13.108 -27.114 1.00 41.25 C ATOM 0 H LEU A 20 -0.343 11.014 -24.466 1.00 51.23 H new ATOM 0 HA LEU A 20 0.690 10.377 -27.083 1.00 34.03 H new ATOM 0 HB2 LEU A 20 2.107 10.982 -24.465 1.00 20.41 H new ATOM 0 HB3 LEU A 20 2.836 10.990 -26.059 1.00 20.41 H new ATOM 0 HG LEU A 20 0.582 12.855 -25.287 1.00 73.44 H new ATOM 0 HD11 LEU A 20 2.310 14.572 -24.927 1.00 40.21 H new ATOM 0 HD12 LEU A 20 2.460 13.230 -23.768 1.00 40.21 H new ATOM 0 HD13 LEU A 20 3.574 13.340 -25.151 1.00 40.21 H new ATOM 0 HD21 LEU A 20 1.423 14.171 -27.194 1.00 41.25 H new ATOM 0 HD22 LEU A 20 2.653 12.922 -27.507 1.00 41.25 H new ATOM 0 HD23 LEU A 20 0.925 12.535 -27.689 1.00 41.25 H new ATOM 318 N MET A 21 1.505 8.437 -24.520 1.00 1.10 N ATOM 319 CA MET A 21 1.934 7.089 -24.166 1.00 33.13 C ATOM 320 C MET A 21 2.094 6.949 -22.655 1.00 71.33 C ATOM 321 O MET A 21 2.305 7.935 -21.950 1.00 13.35 O ATOM 322 CB MET A 21 3.252 6.750 -24.864 1.00 21.01 C ATOM 323 CG MET A 21 3.105 5.724 -25.976 1.00 13.12 C ATOM 324 SD MET A 21 3.494 4.050 -25.432 1.00 64.41 S ATOM 325 CE MET A 21 2.343 3.097 -26.419 1.00 35.34 C ATOM 0 H MET A 21 1.393 9.067 -23.725 1.00 1.10 H new ATOM 0 HA MET A 21 1.166 6.391 -24.499 1.00 33.13 H new ATOM 0 HB2 MET A 21 3.680 7.663 -25.278 1.00 21.01 H new ATOM 0 HB3 MET A 21 3.959 6.373 -24.125 1.00 21.01 H new ATOM 0 HG2 MET A 21 2.084 5.750 -26.357 1.00 13.12 H new ATOM 0 HG3 MET A 21 3.761 5.994 -26.804 1.00 13.12 H new ATOM 0 HE1 MET A 21 2.462 2.037 -26.195 1.00 35.34 H new ATOM 0 HE2 MET A 21 1.323 3.405 -26.187 1.00 35.34 H new ATOM 0 HE3 MET A 21 2.542 3.269 -27.477 1.00 35.34 H new ATOM 335 N TYR A 22 1.992 5.718 -22.166 1.00 23.00 N ATOM 336 CA TYR A 22 2.123 5.450 -20.739 1.00 22.32 C ATOM 337 C TYR A 22 3.588 5.273 -20.350 1.00 11.22 C ATOM 338 O TYR A 22 4.369 4.670 -21.085 1.00 65.21 O ATOM 339 CB TYR A 22 1.329 4.199 -20.359 1.00 12.14 C ATOM 340 CG TYR A 22 -0.168 4.415 -20.339 1.00 4.11 C ATOM 341 CD1 TYR A 22 -0.921 4.304 -21.501 1.00 0.11 C ATOM 342 CD2 TYR A 22 -0.828 4.729 -19.157 1.00 52.34 C ATOM 343 CE1 TYR A 22 -2.288 4.501 -21.487 1.00 51.54 C ATOM 344 CE2 TYR A 22 -2.195 4.927 -19.134 1.00 73.12 C ATOM 345 CZ TYR A 22 -2.921 4.812 -20.302 1.00 3.42 C ATOM 346 OH TYR A 22 -4.283 5.008 -20.284 1.00 4.31 O ATOM 0 H TYR A 22 1.819 4.890 -22.737 1.00 23.00 H new ATOM 0 HA TYR A 22 1.722 6.306 -20.196 1.00 22.32 H new ATOM 0 HB2 TYR A 22 1.563 3.402 -21.065 1.00 12.14 H new ATOM 0 HB3 TYR A 22 1.652 3.859 -19.375 1.00 12.14 H new ATOM 0 HD1 TYR A 22 -0.429 4.060 -22.431 1.00 0.11 H new ATOM 0 HD2 TYR A 22 -0.263 4.820 -18.241 1.00 52.34 H new ATOM 0 HE1 TYR A 22 -2.858 4.412 -22.400 1.00 51.54 H new ATOM 0 HE2 TYR A 22 -2.693 5.170 -18.207 1.00 73.12 H new ATOM 0 HH TYR A 22 -4.571 5.218 -19.371 1.00 4.31 H new ATOM 356 N VAL A 23 3.953 5.804 -19.187 1.00 14.10 N ATOM 357 CA VAL A 23 5.322 5.705 -18.697 1.00 63.23 C ATOM 358 C VAL A 23 5.369 5.040 -17.326 1.00 51.30 C ATOM 359 O VAL A 23 4.912 5.608 -16.334 1.00 12.20 O ATOM 360 CB VAL A 23 5.988 7.091 -18.607 1.00 31.22 C ATOM 361 CG1 VAL A 23 7.421 6.964 -18.113 1.00 30.01 C ATOM 362 CG2 VAL A 23 5.940 7.793 -19.955 1.00 43.33 C ATOM 0 H VAL A 23 3.319 6.307 -18.567 1.00 14.10 H new ATOM 0 HA VAL A 23 5.870 5.093 -19.413 1.00 63.23 H new ATOM 0 HB VAL A 23 5.434 7.695 -17.889 1.00 31.22 H new ATOM 0 HG11 VAL A 23 7.875 7.953 -18.056 1.00 30.01 H new ATOM 0 HG12 VAL A 23 7.426 6.505 -17.124 1.00 30.01 H new ATOM 0 HG13 VAL A 23 7.990 6.343 -18.804 1.00 30.01 H new ATOM 0 HG21 VAL A 23 6.415 8.771 -19.873 1.00 43.33 H new ATOM 0 HG22 VAL A 23 6.469 7.194 -20.696 1.00 43.33 H new ATOM 0 HG23 VAL A 23 4.902 7.918 -20.263 1.00 43.33 H new ATOM 372 N ARG A 24 5.925 3.834 -17.278 1.00 13.03 N ATOM 373 CA ARG A 24 6.031 3.091 -16.028 1.00 14.23 C ATOM 374 C ARG A 24 7.056 3.734 -15.098 1.00 51.23 C ATOM 375 O ARG A 24 8.137 4.133 -15.532 1.00 61.01 O ATOM 376 CB ARG A 24 6.419 1.638 -16.305 1.00 35.42 C ATOM 377 CG ARG A 24 6.388 0.753 -15.069 1.00 65.02 C ATOM 378 CD ARG A 24 7.628 -0.124 -14.981 1.00 50.34 C ATOM 379 NE ARG A 24 7.313 -1.472 -14.517 1.00 71.13 N ATOM 380 CZ ARG A 24 8.221 -2.432 -14.376 1.00 54.43 C ATOM 381 NH1 ARG A 24 9.493 -2.192 -14.662 1.00 21.13 N ATOM 382 NH2 ARG A 24 7.856 -3.634 -13.949 1.00 2.45 N ATOM 0 H ARG A 24 6.309 3.351 -18.090 1.00 13.03 H new ATOM 0 HA ARG A 24 5.058 3.113 -15.538 1.00 14.23 H new ATOM 0 HB2 ARG A 24 5.742 1.226 -17.053 1.00 35.42 H new ATOM 0 HB3 ARG A 24 7.421 1.614 -16.734 1.00 35.42 H new ATOM 0 HG2 ARG A 24 6.317 1.375 -14.177 1.00 65.02 H new ATOM 0 HG3 ARG A 24 5.497 0.125 -15.092 1.00 65.02 H new ATOM 0 HD2 ARG A 24 8.103 -0.180 -15.961 1.00 50.34 H new ATOM 0 HD3 ARG A 24 8.348 0.334 -14.303 1.00 50.34 H new ATOM 0 HE ARG A 24 6.343 -1.689 -14.289 1.00 71.13 H new ATOM 0 HH11 ARG A 24 9.776 -1.269 -14.991 1.00 21.13 H new ATOM 0 HH12 ARG A 24 10.188 -2.930 -14.553 1.00 21.13 H new ATOM 0 HH21 ARG A 24 6.878 -3.822 -13.729 1.00 2.45 H new ATOM 0 HH22 ARG A 24 8.553 -4.370 -13.841 1.00 2.45 H new ATOM 396 N ILE A 25 6.708 3.832 -13.820 1.00 24.34 N ATOM 397 CA ILE A 25 7.598 4.425 -12.830 1.00 5.42 C ATOM 398 C ILE A 25 8.654 3.426 -12.370 1.00 63.20 C ATOM 399 O ILE A 25 8.770 3.132 -11.181 1.00 41.00 O ATOM 400 CB ILE A 25 6.818 4.932 -11.602 1.00 71.54 C ATOM 401 CG1 ILE A 25 5.588 5.727 -12.045 1.00 42.02 C ATOM 402 CG2 ILE A 25 7.716 5.783 -10.718 1.00 0.13 C ATOM 403 CD1 ILE A 25 4.753 6.239 -10.893 1.00 13.21 C ATOM 0 H ILE A 25 5.816 3.508 -13.446 1.00 24.34 H new ATOM 0 HA ILE A 25 8.087 5.270 -13.314 1.00 5.42 H new ATOM 0 HB ILE A 25 6.482 4.072 -11.023 1.00 71.54 H new ATOM 0 HG12 ILE A 25 5.911 6.572 -12.653 1.00 42.02 H new ATOM 0 HG13 ILE A 25 4.967 5.096 -12.681 1.00 42.02 H new ATOM 0 HG21 ILE A 25 7.150 6.134 -9.855 1.00 0.13 H new ATOM 0 HG22 ILE A 25 8.563 5.187 -10.379 1.00 0.13 H new ATOM 0 HG23 ILE A 25 8.079 6.640 -11.286 1.00 0.13 H new ATOM 0 HD11 ILE A 25 3.898 6.793 -11.281 1.00 13.21 H new ATOM 0 HD12 ILE A 25 4.400 5.397 -10.297 1.00 13.21 H new ATOM 0 HD13 ILE A 25 5.358 6.896 -10.269 1.00 13.21 H new ATOM 415 N GLY A 26 9.425 2.907 -13.322 1.00 13.14 N ATOM 416 CA GLY A 26 10.463 1.947 -12.994 1.00 53.15 C ATOM 417 C GLY A 26 11.815 2.342 -13.554 1.00 51.02 C ATOM 418 O GLY A 26 12.851 2.072 -12.945 1.00 51.14 O ATOM 0 H GLY A 26 9.349 3.134 -14.313 1.00 13.14 H new ATOM 0 HA2 GLY A 26 10.536 1.851 -11.911 1.00 53.15 H new ATOM 0 HA3 GLY A 26 10.184 0.968 -13.383 1.00 53.15 H new ATOM 422 N THR A 27 11.807 2.983 -14.719 1.00 64.42 N ATOM 423 CA THR A 27 13.042 3.413 -15.363 1.00 22.22 C ATOM 424 C THR A 27 12.822 4.676 -16.187 1.00 15.23 C ATOM 425 O THR A 27 11.691 5.141 -16.341 1.00 24.33 O ATOM 426 CB THR A 27 13.613 2.311 -16.276 1.00 1.32 C ATOM 427 OG1 THR A 27 14.924 2.675 -16.721 1.00 44.23 O ATOM 428 CG2 THR A 27 12.709 2.082 -17.478 1.00 1.24 C ATOM 0 H THR A 27 10.959 3.216 -15.236 1.00 64.42 H new ATOM 0 HA THR A 27 13.757 3.622 -14.567 1.00 22.22 H new ATOM 0 HB THR A 27 13.668 1.386 -15.702 1.00 1.32 H new ATOM 0 HG1 THR A 27 15.281 1.969 -17.299 1.00 44.23 H new ATOM 0 HG21 THR A 27 13.133 1.300 -18.108 1.00 1.24 H new ATOM 0 HG22 THR A 27 11.720 1.777 -17.136 1.00 1.24 H new ATOM 0 HG23 THR A 27 12.626 3.005 -18.052 1.00 1.24 H new ATOM 436 N THR A 28 13.908 5.229 -16.716 1.00 44.33 N ATOM 437 CA THR A 28 13.833 6.440 -17.525 1.00 25.34 C ATOM 438 C THR A 28 13.806 6.107 -19.012 1.00 20.21 C ATOM 439 O THR A 28 14.690 5.417 -19.520 1.00 11.34 O ATOM 440 CB THR A 28 15.022 7.378 -17.242 1.00 53.30 C ATOM 441 OG1 THR A 28 16.256 6.680 -17.441 1.00 32.23 O ATOM 442 CG2 THR A 28 14.960 7.916 -15.820 1.00 65.22 C ATOM 0 H THR A 28 14.851 4.858 -16.599 1.00 44.33 H new ATOM 0 HA THR A 28 12.907 6.946 -17.252 1.00 25.34 H new ATOM 0 HB THR A 28 14.966 8.218 -17.934 1.00 53.30 H new ATOM 0 HG1 THR A 28 16.175 6.087 -18.217 1.00 32.23 H new ATOM 0 HG21 THR A 28 15.809 8.576 -15.643 1.00 65.22 H new ATOM 0 HG22 THR A 28 14.033 8.473 -15.682 1.00 65.22 H new ATOM 0 HG23 THR A 28 14.993 7.085 -15.115 1.00 65.22 H new ATOM 450 N ALA A 29 12.786 6.602 -19.706 1.00 21.44 N ATOM 451 CA ALA A 29 12.646 6.359 -21.136 1.00 34.51 C ATOM 452 C ALA A 29 12.364 7.655 -21.888 1.00 34.21 C ATOM 453 O ALA A 29 12.179 8.710 -21.281 1.00 4.34 O ATOM 454 CB ALA A 29 11.540 5.346 -21.393 1.00 33.30 C ATOM 0 H ALA A 29 12.045 7.174 -19.301 1.00 21.44 H new ATOM 0 HA ALA A 29 13.588 5.954 -21.505 1.00 34.51 H new ATOM 0 HB1 ALA A 29 11.446 5.174 -22.465 1.00 33.30 H new ATOM 0 HB2 ALA A 29 11.783 4.408 -20.895 1.00 33.30 H new ATOM 0 HB3 ALA A 29 10.597 5.730 -21.003 1.00 33.30 H new ATOM 460 N THR A 30 12.332 7.569 -23.214 1.00 54.32 N ATOM 461 CA THR A 30 12.074 8.736 -24.049 1.00 61.43 C ATOM 462 C THR A 30 10.746 8.602 -24.786 1.00 22.00 C ATOM 463 O THR A 30 10.504 7.609 -25.472 1.00 71.25 O ATOM 464 CB THR A 30 13.200 8.949 -25.079 1.00 11.24 C ATOM 465 OG1 THR A 30 14.441 8.463 -24.555 1.00 40.31 O ATOM 466 CG2 THR A 30 13.336 10.422 -25.434 1.00 53.13 C ATOM 0 H THR A 30 12.481 6.704 -23.733 1.00 54.32 H new ATOM 0 HA THR A 30 12.032 9.598 -23.383 1.00 61.43 H new ATOM 0 HB THR A 30 12.946 8.395 -25.983 1.00 11.24 H new ATOM 0 HG1 THR A 30 15.005 9.221 -24.294 1.00 40.31 H new ATOM 0 HG21 THR A 30 14.137 10.548 -26.163 1.00 53.13 H new ATOM 0 HG22 THR A 30 12.399 10.782 -25.859 1.00 53.13 H new ATOM 0 HG23 THR A 30 13.570 10.993 -24.535 1.00 53.13 H new ATOM 474 N ILE A 31 9.890 9.607 -24.640 1.00 0.53 N ATOM 475 CA ILE A 31 8.587 9.602 -25.293 1.00 62.03 C ATOM 476 C ILE A 31 8.639 10.338 -26.628 1.00 73.30 C ATOM 477 O ILE A 31 9.364 11.321 -26.781 1.00 11.35 O ATOM 478 CB ILE A 31 7.509 10.249 -24.404 1.00 53.15 C ATOM 479 CG1 ILE A 31 7.524 9.623 -23.009 1.00 31.44 C ATOM 480 CG2 ILE A 31 6.136 10.099 -25.043 1.00 41.53 C ATOM 481 CD1 ILE A 31 6.587 10.299 -22.033 1.00 11.05 C ATOM 0 H ILE A 31 10.075 10.436 -24.075 1.00 0.53 H new ATOM 0 HA ILE A 31 8.324 8.558 -25.466 1.00 62.03 H new ATOM 0 HB ILE A 31 7.729 11.312 -24.307 1.00 53.15 H new ATOM 0 HG12 ILE A 31 7.254 8.570 -23.089 1.00 31.44 H new ATOM 0 HG13 ILE A 31 8.539 9.663 -22.613 1.00 31.44 H new ATOM 0 HG21 ILE A 31 5.384 10.561 -24.403 1.00 41.53 H new ATOM 0 HG22 ILE A 31 6.133 10.587 -26.017 1.00 41.53 H new ATOM 0 HG23 ILE A 31 5.906 9.041 -25.167 1.00 41.53 H new ATOM 0 HD11 ILE A 31 6.650 9.802 -21.065 1.00 11.05 H new ATOM 0 HD12 ILE A 31 6.870 11.346 -21.923 1.00 11.05 H new ATOM 0 HD13 ILE A 31 5.565 10.236 -22.407 1.00 11.05 H new ATOM 493 N THR A 32 7.862 9.856 -27.594 1.00 24.43 N ATOM 494 CA THR A 32 7.818 10.467 -28.916 1.00 4.11 C ATOM 495 C THR A 32 6.525 11.247 -29.118 1.00 54.30 C ATOM 496 O THR A 32 5.449 10.662 -29.244 1.00 43.40 O ATOM 497 CB THR A 32 7.946 9.410 -30.029 1.00 21.45 C ATOM 498 OG1 THR A 32 8.021 8.100 -29.454 1.00 5.34 O ATOM 499 CG2 THR A 32 9.180 9.667 -30.881 1.00 32.35 C ATOM 0 H THR A 32 7.255 9.044 -27.485 1.00 24.43 H new ATOM 0 HA THR A 32 8.665 11.151 -28.976 1.00 4.11 H new ATOM 0 HB THR A 32 7.064 9.477 -30.666 1.00 21.45 H new ATOM 0 HG1 THR A 32 8.100 7.433 -30.168 1.00 5.34 H new ATOM 0 HG21 THR A 32 9.249 8.908 -31.660 1.00 32.35 H new ATOM 0 HG22 THR A 32 9.106 10.653 -31.340 1.00 32.35 H new ATOM 0 HG23 THR A 32 10.070 9.625 -30.254 1.00 32.35 H new ATOM 507 N ALA A 33 6.636 12.571 -29.149 1.00 10.34 N ATOM 508 CA ALA A 33 5.475 13.431 -29.338 1.00 54.45 C ATOM 509 C ALA A 33 5.802 14.599 -30.263 1.00 13.43 C ATOM 510 O ALA A 33 6.883 15.183 -30.182 1.00 54.11 O ATOM 511 CB ALA A 33 4.971 13.943 -27.997 1.00 25.44 C ATOM 0 H ALA A 33 7.519 13.071 -29.046 1.00 10.34 H new ATOM 0 HA ALA A 33 4.689 12.839 -29.806 1.00 54.45 H new ATOM 0 HB1 ALA A 33 4.104 14.584 -28.155 1.00 25.44 H new ATOM 0 HB2 ALA A 33 4.689 13.099 -27.368 1.00 25.44 H new ATOM 0 HB3 ALA A 33 5.759 14.514 -27.506 1.00 25.44 H new ATOM 517 N ARG A 34 4.862 14.935 -31.140 1.00 72.44 N ATOM 518 CA ARG A 34 5.052 16.032 -32.081 1.00 75.14 C ATOM 519 C ARG A 34 6.313 15.822 -32.914 1.00 3.55 C ATOM 520 O ARG A 34 7.056 16.766 -33.182 1.00 31.20 O ATOM 521 CB ARG A 34 5.136 17.364 -31.334 1.00 10.00 C ATOM 522 CG ARG A 34 3.783 17.914 -30.914 1.00 34.52 C ATOM 523 CD ARG A 34 3.621 19.369 -31.323 1.00 51.11 C ATOM 524 NE ARG A 34 3.216 19.503 -32.720 1.00 14.22 N ATOM 525 CZ ARG A 34 2.833 20.652 -33.267 1.00 31.41 C ATOM 526 NH1 ARG A 34 2.804 21.759 -32.539 1.00 41.41 N ATOM 527 NH2 ARG A 34 2.479 20.693 -34.545 1.00 14.40 N ATOM 0 H ARG A 34 3.961 14.463 -31.219 1.00 72.44 H new ATOM 0 HA ARG A 34 4.194 16.054 -32.753 1.00 75.14 H new ATOM 0 HB2 ARG A 34 5.757 17.235 -30.448 1.00 10.00 H new ATOM 0 HB3 ARG A 34 5.635 18.096 -31.969 1.00 10.00 H new ATOM 0 HG2 ARG A 34 2.991 17.318 -31.366 1.00 34.52 H new ATOM 0 HG3 ARG A 34 3.672 17.824 -29.833 1.00 34.52 H new ATOM 0 HD2 ARG A 34 2.878 19.845 -30.683 1.00 51.11 H new ATOM 0 HD3 ARG A 34 4.562 19.897 -31.166 1.00 51.11 H new ATOM 0 HE ARG A 34 3.228 18.669 -33.308 1.00 14.22 H new ATOM 0 HH11 ARG A 34 3.076 21.730 -31.556 1.00 41.41 H new ATOM 0 HH12 ARG A 34 2.510 22.640 -32.961 1.00 41.41 H new ATOM 0 HH21 ARG A 34 2.501 19.843 -35.108 1.00 14.40 H new ATOM 0 HH22 ARG A 34 2.185 21.575 -34.965 1.00 14.40 H new ATOM 541 N GLY A 35 6.549 14.578 -33.319 1.00 3.14 N ATOM 542 CA GLY A 35 7.722 14.267 -34.115 1.00 51.11 C ATOM 543 C GLY A 35 9.015 14.609 -33.402 1.00 12.33 C ATOM 544 O GLY A 35 10.055 14.787 -34.037 1.00 13.20 O ATOM 0 H GLY A 35 5.949 13.780 -33.110 1.00 3.14 H new ATOM 0 HA2 GLY A 35 7.718 13.206 -34.363 1.00 51.11 H new ATOM 0 HA3 GLY A 35 7.674 14.815 -35.056 1.00 51.11 H new ATOM 548 N HIS A 36 8.951 14.704 -32.077 1.00 61.33 N ATOM 549 CA HIS A 36 10.126 15.028 -31.277 1.00 3.43 C ATOM 550 C HIS A 36 10.335 13.994 -30.174 1.00 43.34 C ATOM 551 O HIS A 36 9.442 13.202 -29.878 1.00 22.35 O ATOM 552 CB HIS A 36 9.983 16.422 -30.664 1.00 61.01 C ATOM 553 CG HIS A 36 11.202 17.276 -30.827 1.00 45.24 C ATOM 554 ND1 HIS A 36 12.289 17.207 -29.981 1.00 71.41 N ATOM 555 CD2 HIS A 36 11.504 18.222 -31.748 1.00 22.24 C ATOM 556 CE1 HIS A 36 13.205 18.074 -30.373 1.00 24.24 C ATOM 557 NE2 HIS A 36 12.754 18.702 -31.443 1.00 10.40 N ATOM 0 H HIS A 36 8.098 14.561 -31.536 1.00 61.33 H new ATOM 0 HA HIS A 36 10.996 15.015 -31.933 1.00 3.43 H new ATOM 0 HB2 HIS A 36 9.132 16.926 -31.123 1.00 61.01 H new ATOM 0 HB3 HIS A 36 9.759 16.322 -29.602 1.00 61.01 H new ATOM 0 HD2 HIS A 36 10.878 18.540 -32.569 1.00 22.24 H new ATOM 0 HE1 HIS A 36 14.161 18.241 -29.899 1.00 24.24 H new ATOM 0 HE2 HIS A 36 13.253 19.426 -31.959 1.00 10.40 H new ATOM 565 N GLU A 37 11.521 14.009 -29.573 1.00 32.11 N ATOM 566 CA GLU A 37 11.846 13.071 -28.505 1.00 23.10 C ATOM 567 C GLU A 37 11.950 13.789 -27.163 1.00 0.33 C ATOM 568 O GLU A 37 12.676 14.774 -27.028 1.00 5.15 O ATOM 569 CB GLU A 37 13.160 12.349 -28.813 1.00 0.34 C ATOM 570 CG GLU A 37 14.278 13.281 -29.250 1.00 71.43 C ATOM 571 CD GLU A 37 15.621 12.582 -29.332 1.00 22.23 C ATOM 572 OE1 GLU A 37 16.231 12.341 -28.269 1.00 12.11 O ATOM 573 OE2 GLU A 37 16.062 12.275 -30.459 1.00 45.42 O ATOM 0 H GLU A 37 12.271 14.659 -29.807 1.00 32.11 H new ATOM 0 HA GLU A 37 11.042 12.337 -28.443 1.00 23.10 H new ATOM 0 HB2 GLU A 37 13.480 11.801 -27.927 1.00 0.34 H new ATOM 0 HB3 GLU A 37 12.985 11.612 -29.597 1.00 0.34 H new ATOM 0 HG2 GLU A 37 14.033 13.705 -30.224 1.00 71.43 H new ATOM 0 HG3 GLU A 37 14.348 14.113 -28.549 1.00 71.43 H new ATOM 580 N PHE A 38 11.218 13.290 -26.173 1.00 31.53 N ATOM 581 CA PHE A 38 11.226 13.884 -24.841 1.00 35.41 C ATOM 582 C PHE A 38 11.621 12.853 -23.788 1.00 20.22 C ATOM 583 O PHE A 38 10.874 11.915 -23.512 1.00 61.52 O ATOM 584 CB PHE A 38 9.849 14.465 -24.511 1.00 21.54 C ATOM 585 CG PHE A 38 9.333 15.414 -25.554 1.00 1.23 C ATOM 586 CD1 PHE A 38 10.109 16.478 -25.985 1.00 13.30 C ATOM 587 CD2 PHE A 38 8.073 15.242 -26.103 1.00 51.53 C ATOM 588 CE1 PHE A 38 9.636 17.354 -26.944 1.00 71.10 C ATOM 589 CE2 PHE A 38 7.595 16.115 -27.063 1.00 71.31 C ATOM 590 CZ PHE A 38 8.378 17.171 -27.485 1.00 1.33 C ATOM 0 H PHE A 38 10.611 12.475 -26.268 1.00 31.53 H new ATOM 0 HA PHE A 38 11.963 14.687 -24.832 1.00 35.41 H new ATOM 0 HB2 PHE A 38 9.138 13.648 -24.391 1.00 21.54 H new ATOM 0 HB3 PHE A 38 9.902 14.984 -23.554 1.00 21.54 H new ATOM 0 HD1 PHE A 38 11.094 16.624 -25.567 1.00 13.30 H new ATOM 0 HD2 PHE A 38 7.457 14.417 -25.778 1.00 51.53 H new ATOM 0 HE1 PHE A 38 10.249 18.181 -27.270 1.00 71.10 H new ATOM 0 HE2 PHE A 38 6.610 15.971 -27.482 1.00 71.31 H new ATOM 0 HZ PHE A 38 8.008 17.853 -28.237 1.00 1.33 H new ATOM 600 N GLU A 39 12.801 13.035 -23.204 1.00 2.14 N ATOM 601 CA GLU A 39 13.297 12.120 -22.182 1.00 14.20 C ATOM 602 C GLU A 39 12.955 12.629 -20.784 1.00 64.13 C ATOM 603 O GLU A 39 13.641 13.497 -20.243 1.00 34.52 O ATOM 604 CB GLU A 39 14.810 11.942 -22.316 1.00 64.12 C ATOM 605 CG GLU A 39 15.320 10.623 -21.759 1.00 53.21 C ATOM 606 CD GLU A 39 16.641 10.202 -22.373 1.00 11.14 C ATOM 607 OE1 GLU A 39 16.729 10.160 -23.618 1.00 24.43 O ATOM 608 OE2 GLU A 39 17.586 9.915 -21.609 1.00 12.05 O ATOM 0 H GLU A 39 13.431 13.807 -23.421 1.00 2.14 H new ATOM 0 HA GLU A 39 12.811 11.155 -22.328 1.00 14.20 H new ATOM 0 HB2 GLU A 39 15.084 12.012 -23.369 1.00 64.12 H new ATOM 0 HB3 GLU A 39 15.311 12.762 -21.801 1.00 64.12 H new ATOM 0 HG2 GLU A 39 15.437 10.710 -20.679 1.00 53.21 H new ATOM 0 HG3 GLU A 39 14.577 9.846 -21.937 1.00 53.21 H new ATOM 615 N VAL A 40 11.890 12.083 -20.206 1.00 25.32 N ATOM 616 CA VAL A 40 11.457 12.480 -18.871 1.00 65.24 C ATOM 617 C VAL A 40 11.958 11.500 -17.817 1.00 23.53 C ATOM 618 O VAL A 40 12.580 10.488 -18.141 1.00 54.21 O ATOM 619 CB VAL A 40 9.922 12.571 -18.784 1.00 5.54 C ATOM 620 CG1 VAL A 40 9.383 13.527 -19.837 1.00 63.23 C ATOM 621 CG2 VAL A 40 9.297 11.193 -18.932 1.00 64.43 C ATOM 0 H VAL A 40 11.311 11.365 -20.641 1.00 25.32 H new ATOM 0 HA VAL A 40 11.884 13.464 -18.679 1.00 65.24 H new ATOM 0 HB VAL A 40 9.654 12.962 -17.802 1.00 5.54 H new ATOM 0 HG11 VAL A 40 8.297 13.578 -19.760 1.00 63.23 H new ATOM 0 HG12 VAL A 40 9.805 14.519 -19.678 1.00 63.23 H new ATOM 0 HG13 VAL A 40 9.660 13.170 -20.829 1.00 63.23 H new ATOM 0 HG21 VAL A 40 8.212 11.277 -18.868 1.00 64.43 H new ATOM 0 HG22 VAL A 40 9.572 10.771 -19.899 1.00 64.43 H new ATOM 0 HG23 VAL A 40 9.658 10.542 -18.136 1.00 64.43 H new ATOM 631 N GLU A 41 11.683 11.806 -16.553 1.00 13.51 N ATOM 632 CA GLU A 41 12.106 10.952 -15.450 1.00 61.41 C ATOM 633 C GLU A 41 10.962 10.726 -14.466 1.00 52.11 C ATOM 634 O GLU A 41 10.350 11.677 -13.981 1.00 11.12 O ATOM 635 CB GLU A 41 13.302 11.572 -14.725 1.00 21.01 C ATOM 636 CG GLU A 41 13.669 10.857 -13.435 1.00 45.43 C ATOM 637 CD GLU A 41 14.943 11.396 -12.812 1.00 73.22 C ATOM 638 OE1 GLU A 41 15.867 11.759 -13.569 1.00 71.12 O ATOM 639 OE2 GLU A 41 15.014 11.454 -11.567 1.00 2.34 O ATOM 0 H GLU A 41 11.169 12.639 -16.268 1.00 13.51 H new ATOM 0 HA GLU A 41 12.401 9.988 -15.864 1.00 61.41 H new ATOM 0 HB2 GLU A 41 14.164 11.565 -15.392 1.00 21.01 H new ATOM 0 HB3 GLU A 41 13.080 12.615 -14.502 1.00 21.01 H new ATOM 0 HG2 GLU A 41 12.850 10.957 -12.723 1.00 45.43 H new ATOM 0 HG3 GLU A 41 13.789 9.792 -13.635 1.00 45.43 H new ATOM 646 N ALA A 42 10.678 9.460 -14.177 1.00 44.23 N ATOM 647 CA ALA A 42 9.609 9.109 -13.251 1.00 23.21 C ATOM 648 C ALA A 42 10.173 8.668 -11.904 1.00 53.21 C ATOM 649 O ALA A 42 11.008 7.767 -11.834 1.00 25.13 O ATOM 650 CB ALA A 42 8.736 8.013 -13.844 1.00 10.11 C ATOM 0 H ALA A 42 11.174 8.661 -14.571 1.00 44.23 H new ATOM 0 HA ALA A 42 8.998 9.996 -13.087 1.00 23.21 H new ATOM 0 HB1 ALA A 42 7.942 7.761 -13.142 1.00 10.11 H new ATOM 0 HB2 ALA A 42 8.297 8.363 -14.778 1.00 10.11 H new ATOM 0 HB3 ALA A 42 9.343 7.129 -14.038 1.00 10.11 H new ATOM 656 N LYS A 43 9.711 9.310 -10.836 1.00 74.23 N ATOM 657 CA LYS A 43 10.167 8.984 -9.490 1.00 44.34 C ATOM 658 C LYS A 43 9.020 8.447 -8.641 1.00 54.42 C ATOM 659 O LYS A 43 9.238 7.700 -7.687 1.00 55.14 O ATOM 660 CB LYS A 43 10.775 10.220 -8.823 1.00 51.20 C ATOM 661 CG LYS A 43 12.189 10.003 -8.313 1.00 31.21 C ATOM 662 CD LYS A 43 12.506 10.917 -7.141 1.00 52.24 C ATOM 663 CE LYS A 43 13.339 12.113 -7.577 1.00 61.21 C ATOM 664 NZ LYS A 43 13.755 12.951 -6.419 1.00 14.05 N ATOM 0 H LYS A 43 9.021 10.060 -10.877 1.00 74.23 H new ATOM 0 HA LYS A 43 10.929 8.209 -9.569 1.00 44.34 H new ATOM 0 HB2 LYS A 43 10.778 11.043 -9.537 1.00 51.20 H new ATOM 0 HB3 LYS A 43 10.140 10.522 -7.990 1.00 51.20 H new ATOM 0 HG2 LYS A 43 12.311 8.964 -8.008 1.00 31.21 H new ATOM 0 HG3 LYS A 43 12.899 10.184 -9.120 1.00 31.21 H new ATOM 0 HD2 LYS A 43 11.578 11.265 -6.688 1.00 52.24 H new ATOM 0 HD3 LYS A 43 13.044 10.357 -6.376 1.00 52.24 H new ATOM 0 HE2 LYS A 43 14.224 11.764 -8.109 1.00 61.21 H new ATOM 0 HE3 LYS A 43 12.764 12.720 -8.277 1.00 61.21 H new ATOM 0 HZ1 LYS A 43 14.320 13.755 -6.758 1.00 14.05 H new ATOM 0 HZ2 LYS A 43 12.911 13.305 -5.925 1.00 14.05 H new ATOM 0 HZ3 LYS A 43 14.325 12.379 -5.764 1.00 14.05 H new ATOM 678 N ASP A 44 7.798 8.832 -8.995 1.00 22.22 N ATOM 679 CA ASP A 44 6.616 8.387 -8.266 1.00 72.24 C ATOM 680 C ASP A 44 5.347 8.971 -8.881 1.00 24.33 C ATOM 681 O ASP A 44 5.386 9.569 -9.956 1.00 22.25 O ATOM 682 CB ASP A 44 6.716 8.789 -6.794 1.00 61.21 C ATOM 683 CG ASP A 44 6.582 7.603 -5.860 1.00 34.34 C ATOM 684 OD1 ASP A 44 5.597 6.846 -5.998 1.00 1.50 O ATOM 685 OD2 ASP A 44 7.461 7.430 -4.990 1.00 62.05 O ATOM 0 H ASP A 44 7.601 9.451 -9.782 1.00 22.22 H new ATOM 0 HA ASP A 44 6.565 7.300 -8.334 1.00 72.24 H new ATOM 0 HB2 ASP A 44 7.673 9.280 -6.619 1.00 61.21 H new ATOM 0 HB3 ASP A 44 5.938 9.517 -6.566 1.00 61.21 H new ATOM 690 N GLN A 45 4.225 8.792 -8.191 1.00 64.42 N ATOM 691 CA GLN A 45 2.945 9.299 -8.671 1.00 4.54 C ATOM 692 C GLN A 45 3.044 10.780 -9.022 1.00 3.33 C ATOM 693 O GLN A 45 2.341 11.267 -9.906 1.00 32.32 O ATOM 694 CB GLN A 45 1.860 9.085 -7.615 1.00 32.14 C ATOM 695 CG GLN A 45 2.134 9.807 -6.305 1.00 55.12 C ATOM 696 CD GLN A 45 1.820 8.954 -5.092 1.00 10.33 C ATOM 697 OE1 GLN A 45 2.691 8.691 -4.262 1.00 32.11 O ATOM 698 NE2 GLN A 45 0.571 8.517 -4.982 1.00 11.54 N ATOM 0 H GLN A 45 4.177 8.300 -7.299 1.00 64.42 H new ATOM 0 HA GLN A 45 2.679 8.747 -9.573 1.00 4.54 H new ATOM 0 HB2 GLN A 45 0.904 9.425 -8.014 1.00 32.14 H new ATOM 0 HB3 GLN A 45 1.762 8.017 -7.418 1.00 32.14 H new ATOM 0 HG2 GLN A 45 3.181 10.107 -6.272 1.00 55.12 H new ATOM 0 HG3 GLN A 45 1.539 10.720 -6.266 1.00 55.12 H new ATOM 0 HE21 GLN A 45 -0.119 8.759 -5.693 1.00 11.54 H new ATOM 0 HE22 GLN A 45 0.301 7.939 -4.186 1.00 11.54 H new ATOM 707 N ASN A 46 3.922 11.492 -8.322 1.00 63.12 N ATOM 708 CA ASN A 46 4.113 12.918 -8.560 1.00 14.24 C ATOM 709 C ASN A 46 5.106 13.153 -9.694 1.00 14.22 C ATOM 710 O ASN A 46 6.298 13.353 -9.459 1.00 33.04 O ATOM 711 CB ASN A 46 4.604 13.607 -7.285 1.00 43.42 C ATOM 712 CG ASN A 46 3.510 13.748 -6.245 1.00 30.43 C ATOM 713 OD1 ASN A 46 3.571 13.138 -5.177 1.00 65.20 O ATOM 714 ND2 ASN A 46 2.501 14.554 -6.553 1.00 12.04 N ATOM 0 H ASN A 46 4.512 11.105 -7.586 1.00 63.12 H new ATOM 0 HA ASN A 46 3.153 13.345 -8.849 1.00 14.24 H new ATOM 0 HB2 ASN A 46 5.431 13.037 -6.863 1.00 43.42 H new ATOM 0 HB3 ASN A 46 4.993 14.594 -7.535 1.00 43.42 H new ATOM 0 HD21 ASN A 46 1.735 14.688 -5.893 1.00 12.04 H new ATOM 0 HD22 ASN A 46 2.492 15.040 -7.450 1.00 12.04 H new ATOM 721 N CYS A 47 4.606 13.128 -10.925 1.00 0.42 N ATOM 722 CA CYS A 47 5.448 13.339 -12.097 1.00 34.35 C ATOM 723 C CYS A 47 5.213 14.724 -12.693 1.00 62.52 C ATOM 724 O CYS A 47 4.073 15.167 -12.832 1.00 42.34 O ATOM 725 CB CYS A 47 5.170 12.264 -13.149 1.00 72.04 C ATOM 726 SG CYS A 47 5.958 10.659 -12.800 1.00 2.30 S ATOM 0 H CYS A 47 3.622 12.964 -11.137 1.00 0.42 H new ATOM 0 HA CYS A 47 6.490 13.270 -11.784 1.00 34.35 H new ATOM 0 HB2 CYS A 47 4.093 12.118 -13.228 1.00 72.04 H new ATOM 0 HB3 CYS A 47 5.515 12.622 -14.119 1.00 72.04 H new ATOM 731 N LYS A 48 6.300 15.402 -13.044 1.00 63.04 N ATOM 732 CA LYS A 48 6.215 16.736 -13.628 1.00 23.43 C ATOM 733 C LYS A 48 6.630 16.715 -15.095 1.00 45.03 C ATOM 734 O LYS A 48 6.811 15.650 -15.685 1.00 22.51 O ATOM 735 CB LYS A 48 7.100 17.712 -12.850 1.00 3.21 C ATOM 736 CG LYS A 48 8.585 17.410 -12.963 1.00 54.42 C ATOM 737 CD LYS A 48 9.223 17.228 -11.596 1.00 54.32 C ATOM 738 CE LYS A 48 10.661 17.723 -11.582 1.00 12.10 C ATOM 739 NZ LYS A 48 11.127 18.032 -10.202 1.00 3.20 N ATOM 0 H LYS A 48 7.251 15.050 -12.934 1.00 63.04 H new ATOM 0 HA LYS A 48 5.178 17.067 -13.567 1.00 23.43 H new ATOM 0 HB2 LYS A 48 6.915 18.724 -13.211 1.00 3.21 H new ATOM 0 HB3 LYS A 48 6.813 17.691 -11.799 1.00 3.21 H new ATOM 0 HG2 LYS A 48 8.729 16.507 -13.556 1.00 54.42 H new ATOM 0 HG3 LYS A 48 9.083 18.222 -13.493 1.00 54.42 H new ATOM 0 HD2 LYS A 48 8.644 17.769 -10.848 1.00 54.32 H new ATOM 0 HD3 LYS A 48 9.197 16.174 -11.319 1.00 54.32 H new ATOM 0 HE2 LYS A 48 11.310 16.967 -12.024 1.00 12.10 H new ATOM 0 HE3 LYS A 48 10.744 18.616 -12.202 1.00 12.10 H new ATOM 0 HZ1 LYS A 48 12.111 18.366 -10.235 1.00 3.20 H new ATOM 0 HZ2 LYS A 48 10.524 18.772 -9.789 1.00 3.20 H new ATOM 0 HZ3 LYS A 48 11.072 17.174 -9.617 1.00 3.20 H new ATOM 753 N VAL A 49 6.782 17.899 -15.680 1.00 14.44 N ATOM 754 CA VAL A 49 7.178 18.017 -17.078 1.00 3.24 C ATOM 755 C VAL A 49 8.585 18.592 -17.203 1.00 72.22 C ATOM 756 O VAL A 49 8.777 19.807 -17.148 1.00 70.20 O ATOM 757 CB VAL A 49 6.200 18.908 -17.866 1.00 35.23 C ATOM 758 CG1 VAL A 49 4.910 18.155 -18.159 1.00 4.53 C ATOM 759 CG2 VAL A 49 5.915 20.192 -17.102 1.00 1.05 C ATOM 0 H VAL A 49 6.637 18.791 -15.207 1.00 14.44 H new ATOM 0 HA VAL A 49 7.160 17.011 -17.498 1.00 3.24 H new ATOM 0 HB VAL A 49 6.663 19.173 -18.817 1.00 35.23 H new ATOM 0 HG11 VAL A 49 4.231 18.800 -18.716 1.00 4.53 H new ATOM 0 HG12 VAL A 49 5.133 17.267 -18.750 1.00 4.53 H new ATOM 0 HG13 VAL A 49 4.441 17.858 -17.221 1.00 4.53 H new ATOM 0 HG21 VAL A 49 5.222 20.809 -17.674 1.00 1.05 H new ATOM 0 HG22 VAL A 49 5.473 19.950 -16.136 1.00 1.05 H new ATOM 0 HG23 VAL A 49 6.846 20.738 -16.948 1.00 1.05 H new ATOM 769 N ILE A 50 9.565 17.711 -17.373 1.00 31.32 N ATOM 770 CA ILE A 50 10.954 18.131 -17.508 1.00 61.21 C ATOM 771 C ILE A 50 11.765 17.104 -18.291 1.00 62.10 C ATOM 772 O ILE A 50 11.465 15.909 -18.266 1.00 4.54 O ATOM 773 CB ILE A 50 11.613 18.348 -16.133 1.00 52.41 C ATOM 774 CG1 ILE A 50 12.983 19.008 -16.298 1.00 43.45 C ATOM 775 CG2 ILE A 50 11.742 17.026 -15.392 1.00 72.23 C ATOM 776 CD1 ILE A 50 13.602 19.453 -14.991 1.00 73.45 C ATOM 0 H ILE A 50 9.423 16.702 -17.420 1.00 31.32 H new ATOM 0 HA ILE A 50 10.946 19.076 -18.051 1.00 61.21 H new ATOM 0 HB ILE A 50 10.979 19.011 -15.544 1.00 52.41 H new ATOM 0 HG12 ILE A 50 13.658 18.307 -16.790 1.00 43.45 H new ATOM 0 HG13 ILE A 50 12.884 19.871 -16.956 1.00 43.45 H new ATOM 0 HG21 ILE A 50 12.210 17.197 -14.422 1.00 72.23 H new ATOM 0 HG22 ILE A 50 10.753 16.592 -15.247 1.00 72.23 H new ATOM 0 HG23 ILE A 50 12.356 16.340 -15.975 1.00 72.23 H new ATOM 0 HD11 ILE A 50 14.571 19.912 -15.185 1.00 73.45 H new ATOM 0 HD12 ILE A 50 12.948 20.178 -14.507 1.00 73.45 H new ATOM 0 HD13 ILE A 50 13.733 18.590 -14.338 1.00 73.45 H new ATOM 788 N LEU A 51 12.795 17.576 -18.985 1.00 12.10 N ATOM 789 CA LEU A 51 13.652 16.699 -19.775 1.00 30.22 C ATOM 790 C LEU A 51 15.071 16.677 -19.216 1.00 42.23 C ATOM 791 O LEU A 51 15.513 17.631 -18.575 1.00 12.22 O ATOM 792 CB LEU A 51 13.673 17.154 -21.235 1.00 62.41 C ATOM 793 CG LEU A 51 12.334 17.609 -21.816 1.00 30.30 C ATOM 794 CD1 LEU A 51 12.540 18.299 -23.155 1.00 50.03 C ATOM 795 CD2 LEU A 51 11.387 16.426 -21.963 1.00 43.43 C ATOM 0 H LEU A 51 13.057 18.561 -19.017 1.00 12.10 H new ATOM 0 HA LEU A 51 13.245 15.689 -19.722 1.00 30.22 H new ATOM 0 HB2 LEU A 51 14.384 17.975 -21.329 1.00 62.41 H new ATOM 0 HB3 LEU A 51 14.051 16.333 -21.845 1.00 62.41 H new ATOM 0 HG LEU A 51 11.885 18.325 -21.127 1.00 30.30 H new ATOM 0 HD11 LEU A 51 11.576 18.616 -23.553 1.00 50.03 H new ATOM 0 HD12 LEU A 51 13.181 19.170 -23.021 1.00 50.03 H new ATOM 0 HD13 LEU A 51 13.011 17.606 -23.853 1.00 50.03 H new ATOM 0 HD21 LEU A 51 10.439 16.768 -22.378 1.00 43.43 H new ATOM 0 HD22 LEU A 51 11.829 15.687 -22.631 1.00 43.43 H new ATOM 0 HD23 LEU A 51 11.214 15.975 -20.986 1.00 43.43 H new ATOM 807 N THR A 52 15.783 15.583 -19.466 1.00 24.30 N ATOM 808 CA THR A 52 17.153 15.437 -18.989 1.00 70.25 C ATOM 809 C THR A 52 18.147 16.026 -19.984 1.00 32.01 C ATOM 810 O THR A 52 19.358 15.883 -19.823 1.00 41.53 O ATOM 811 CB THR A 52 17.507 13.958 -18.742 1.00 1.42 C ATOM 812 OG1 THR A 52 18.787 13.861 -18.108 1.00 23.23 O ATOM 813 CG2 THR A 52 17.522 13.179 -20.048 1.00 41.33 C ATOM 0 H THR A 52 15.434 14.785 -19.996 1.00 24.30 H new ATOM 0 HA THR A 52 17.220 15.981 -18.047 1.00 70.25 H new ATOM 0 HB THR A 52 16.745 13.529 -18.091 1.00 1.42 H new ATOM 0 HG1 THR A 52 19.386 14.546 -18.473 1.00 23.23 H new ATOM 0 HG21 THR A 52 17.774 12.138 -19.848 1.00 41.33 H new ATOM 0 HG22 THR A 52 16.538 13.231 -20.514 1.00 41.33 H new ATOM 0 HG23 THR A 52 18.264 13.609 -20.720 1.00 41.33 H new ATOM 821 N ASN A 53 17.626 16.689 -21.011 1.00 62.05 N ATOM 822 CA ASN A 53 18.469 17.300 -22.033 1.00 1.44 C ATOM 823 C ASN A 53 18.700 18.779 -21.734 1.00 22.53 C ATOM 824 O ASN A 53 18.942 19.575 -22.639 1.00 41.33 O ATOM 825 CB ASN A 53 17.830 17.142 -23.413 1.00 73.45 C ATOM 826 CG ASN A 53 16.728 18.154 -23.660 1.00 73.12 C ATOM 827 OD1 ASN A 53 16.070 18.612 -22.726 1.00 11.02 O ATOM 828 ND2 ASN A 53 16.521 18.507 -24.923 1.00 43.44 N ATOM 0 H ASN A 53 16.625 16.817 -21.158 1.00 62.05 H new ATOM 0 HA ASN A 53 19.432 16.790 -22.026 1.00 1.44 H new ATOM 0 HB2 ASN A 53 18.597 17.250 -24.180 1.00 73.45 H new ATOM 0 HB3 ASN A 53 17.423 16.135 -23.509 1.00 73.45 H new ATOM 0 HD21 ASN A 53 15.792 19.184 -25.151 1.00 43.44 H new ATOM 0 HD22 ASN A 53 17.091 18.102 -25.666 1.00 43.44 H new ATOM 835 N GLY A 54 18.624 19.137 -20.456 1.00 2.44 N ATOM 836 CA GLY A 54 18.828 20.519 -20.060 1.00 32.44 C ATOM 837 C GLY A 54 17.810 21.455 -20.679 1.00 12.50 C ATOM 838 O GLY A 54 18.072 22.647 -20.846 1.00 34.04 O ATOM 0 H GLY A 54 18.425 18.496 -19.688 1.00 2.44 H new ATOM 0 HA2 GLY A 54 18.773 20.594 -18.974 1.00 32.44 H new ATOM 0 HA3 GLY A 54 19.830 20.833 -20.351 1.00 32.44 H new ATOM 842 N LYS A 55 16.645 20.917 -21.023 1.00 70.21 N ATOM 843 CA LYS A 55 15.583 21.712 -21.628 1.00 70.34 C ATOM 844 C LYS A 55 14.219 21.305 -21.080 1.00 10.01 C ATOM 845 O LYS A 55 13.749 20.194 -21.323 1.00 40.02 O ATOM 846 CB LYS A 55 15.601 21.550 -23.150 1.00 43.41 C ATOM 847 CG LYS A 55 15.025 22.742 -23.895 1.00 42.20 C ATOM 848 CD LYS A 55 13.507 22.701 -23.924 1.00 34.03 C ATOM 849 CE LYS A 55 12.967 23.014 -25.311 1.00 34.22 C ATOM 850 NZ LYS A 55 13.277 24.410 -25.725 1.00 14.33 N ATOM 0 H LYS A 55 16.412 19.932 -20.893 1.00 70.21 H new ATOM 0 HA LYS A 55 15.759 22.758 -21.377 1.00 70.34 H new ATOM 0 HB2 LYS A 55 16.628 21.389 -23.478 1.00 43.41 H new ATOM 0 HB3 LYS A 55 15.037 20.657 -23.419 1.00 43.41 H new ATOM 0 HG2 LYS A 55 15.356 23.665 -23.418 1.00 42.20 H new ATOM 0 HG3 LYS A 55 15.409 22.755 -24.915 1.00 42.20 H new ATOM 0 HD2 LYS A 55 13.163 21.715 -23.612 1.00 34.03 H new ATOM 0 HD3 LYS A 55 13.109 23.419 -23.207 1.00 34.03 H new ATOM 0 HE2 LYS A 55 13.394 22.318 -26.033 1.00 34.22 H new ATOM 0 HE3 LYS A 55 11.888 22.863 -25.323 1.00 34.22 H new ATOM 0 HZ1 LYS A 55 12.849 24.600 -26.653 1.00 14.33 H new ATOM 0 HZ2 LYS A 55 12.891 25.074 -25.023 1.00 14.33 H new ATOM 0 HZ3 LYS A 55 14.308 24.533 -25.788 1.00 14.33 H new ATOM 864 N GLN A 56 13.589 22.212 -20.341 1.00 0.43 N ATOM 865 CA GLN A 56 12.279 21.947 -19.759 1.00 75.11 C ATOM 866 C GLN A 56 11.198 21.935 -20.835 1.00 53.41 C ATOM 867 O GLN A 56 11.298 22.642 -21.837 1.00 43.42 O ATOM 868 CB GLN A 56 11.946 22.996 -18.697 1.00 44.51 C ATOM 869 CG GLN A 56 11.884 24.414 -19.242 1.00 13.43 C ATOM 870 CD GLN A 56 13.009 25.288 -18.725 1.00 4.42 C ATOM 871 OE1 GLN A 56 14.186 24.958 -18.874 1.00 21.43 O ATOM 872 NE2 GLN A 56 12.654 26.412 -18.113 1.00 53.12 N ATOM 0 H GLN A 56 13.965 23.137 -20.131 1.00 0.43 H new ATOM 0 HA GLN A 56 12.311 20.964 -19.290 1.00 75.11 H new ATOM 0 HB2 GLN A 56 10.987 22.748 -18.241 1.00 44.51 H new ATOM 0 HB3 GLN A 56 12.695 22.952 -17.907 1.00 44.51 H new ATOM 0 HG2 GLN A 56 11.925 24.383 -20.331 1.00 13.43 H new ATOM 0 HG3 GLN A 56 10.928 24.862 -18.971 1.00 13.43 H new ATOM 0 HE21 GLN A 56 11.667 26.647 -18.011 1.00 53.12 H new ATOM 0 HE22 GLN A 56 13.369 27.040 -17.745 1.00 53.12 H new ATOM 881 N ALA A 57 10.164 21.128 -20.620 1.00 65.43 N ATOM 882 CA ALA A 57 9.064 21.025 -21.571 1.00 2.42 C ATOM 883 C ALA A 57 8.509 22.402 -21.918 1.00 13.52 C ATOM 884 O ALA A 57 8.707 23.379 -21.194 1.00 61.24 O ATOM 885 CB ALA A 57 7.964 20.136 -21.011 1.00 11.11 C ATOM 0 H ALA A 57 10.065 20.536 -19.795 1.00 65.43 H new ATOM 0 HA ALA A 57 9.448 20.575 -22.487 1.00 2.42 H new ATOM 0 HB1 ALA A 57 7.149 20.068 -21.732 1.00 11.11 H new ATOM 0 HB2 ALA A 57 8.363 19.140 -20.820 1.00 11.11 H new ATOM 0 HB3 ALA A 57 7.590 20.562 -20.080 1.00 11.11 H new ATOM 891 N PRO A 58 7.797 22.486 -23.051 1.00 75.34 N ATOM 892 CA PRO A 58 7.198 23.739 -23.520 1.00 0.21 C ATOM 893 C PRO A 58 6.036 24.191 -22.641 1.00 64.14 C ATOM 894 O PRO A 58 5.797 23.626 -21.574 1.00 11.20 O ATOM 895 CB PRO A 58 6.702 23.391 -24.926 1.00 13.54 C ATOM 896 CG PRO A 58 6.480 21.919 -24.896 1.00 23.44 C ATOM 897 CD PRO A 58 7.520 21.362 -23.963 1.00 2.54 C ATOM 0 HA PRO A 58 7.909 24.565 -23.497 1.00 0.21 H new ATOM 0 HB2 PRO A 58 5.782 23.925 -25.165 1.00 13.54 H new ATOM 0 HB3 PRO A 58 7.436 23.665 -25.684 1.00 13.54 H new ATOM 0 HG2 PRO A 58 5.475 21.683 -24.546 1.00 23.44 H new ATOM 0 HG3 PRO A 58 6.579 21.489 -25.893 1.00 23.44 H new ATOM 0 HD2 PRO A 58 7.151 20.489 -23.425 1.00 2.54 H new ATOM 0 HD3 PRO A 58 8.416 21.050 -24.500 1.00 2.54 H new ATOM 905 N ASP A 59 5.318 25.211 -23.097 1.00 41.22 N ATOM 906 CA ASP A 59 4.180 25.738 -22.353 1.00 31.20 C ATOM 907 C ASP A 59 2.919 24.930 -22.644 1.00 63.43 C ATOM 908 O ASP A 59 1.917 25.050 -21.940 1.00 72.30 O ATOM 909 CB ASP A 59 3.950 27.209 -22.704 1.00 62.40 C ATOM 910 CG ASP A 59 4.391 28.144 -21.596 1.00 4.14 C ATOM 911 OD1 ASP A 59 5.614 28.338 -21.435 1.00 63.01 O ATOM 912 OD2 ASP A 59 3.514 28.682 -20.888 1.00 34.41 O ATOM 0 H ASP A 59 5.504 25.690 -23.978 1.00 41.22 H new ATOM 0 HA ASP A 59 4.405 25.657 -21.289 1.00 31.20 H new ATOM 0 HB2 ASP A 59 4.493 27.451 -23.617 1.00 62.40 H new ATOM 0 HB3 ASP A 59 2.892 27.369 -22.911 1.00 62.40 H new ATOM 917 N TRP A 60 2.977 24.108 -23.686 1.00 43.11 N ATOM 918 CA TRP A 60 1.839 23.281 -24.071 1.00 64.12 C ATOM 919 C TRP A 60 2.071 21.824 -23.687 1.00 61.32 C ATOM 920 O TRP A 60 1.483 20.915 -24.276 1.00 3.13 O ATOM 921 CB TRP A 60 1.589 23.391 -25.576 1.00 74.10 C ATOM 922 CG TRP A 60 2.827 23.204 -26.400 1.00 33.22 C ATOM 923 CD1 TRP A 60 3.733 24.165 -26.748 1.00 34.32 C ATOM 924 CD2 TRP A 60 3.293 21.981 -26.980 1.00 22.21 C ATOM 925 NE1 TRP A 60 4.734 23.613 -27.509 1.00 62.34 N ATOM 926 CE2 TRP A 60 4.488 22.274 -27.665 1.00 44.34 C ATOM 927 CE3 TRP A 60 2.819 20.666 -26.985 1.00 41.44 C ATOM 928 CZ2 TRP A 60 5.212 21.301 -28.349 1.00 23.12 C ATOM 929 CZ3 TRP A 60 3.539 19.702 -27.664 1.00 74.44 C ATOM 930 CH2 TRP A 60 4.725 20.022 -28.338 1.00 11.32 C ATOM 0 H TRP A 60 3.799 23.996 -24.279 1.00 43.11 H new ATOM 0 HA TRP A 60 0.961 23.643 -23.536 1.00 64.12 H new ATOM 0 HB2 TRP A 60 0.850 22.645 -25.870 1.00 74.10 H new ATOM 0 HB3 TRP A 60 1.160 24.369 -25.795 1.00 74.10 H new ATOM 0 HD1 TRP A 60 3.671 25.206 -26.466 1.00 34.32 H new ATOM 0 HE1 TRP A 60 5.532 24.118 -27.896 1.00 62.34 H new ATOM 0 HE3 TRP A 60 1.907 20.408 -26.468 1.00 41.44 H new ATOM 0 HZ2 TRP A 60 6.126 21.547 -28.870 1.00 23.12 H new ATOM 0 HZ3 TRP A 60 3.181 18.683 -27.675 1.00 74.44 H new ATOM 0 HH2 TRP A 60 5.265 19.245 -28.859 1.00 11.32 H new ATOM 941 N LEU A 61 2.930 21.607 -22.697 1.00 60.33 N ATOM 942 CA LEU A 61 3.239 20.258 -22.234 1.00 41.23 C ATOM 943 C LEU A 61 2.770 20.055 -20.797 1.00 42.11 C ATOM 944 O LEU A 61 2.824 20.974 -19.981 1.00 11.24 O ATOM 945 CB LEU A 61 4.743 19.996 -22.334 1.00 73.42 C ATOM 946 CG LEU A 61 5.162 18.825 -23.224 1.00 50.25 C ATOM 947 CD1 LEU A 61 4.433 17.555 -22.815 1.00 31.03 C ATOM 948 CD2 LEU A 61 4.896 19.146 -24.688 1.00 2.40 C ATOM 0 H LEU A 61 3.425 22.347 -22.199 1.00 60.33 H new ATOM 0 HA LEU A 61 2.710 19.551 -22.872 1.00 41.23 H new ATOM 0 HB2 LEU A 61 5.225 20.900 -22.706 1.00 73.42 H new ATOM 0 HB3 LEU A 61 5.128 19.819 -21.330 1.00 73.42 H new ATOM 0 HG LEU A 61 6.232 18.662 -23.096 1.00 50.25 H new ATOM 0 HD11 LEU A 61 4.744 16.733 -23.460 1.00 31.03 H new ATOM 0 HD12 LEU A 61 4.673 17.315 -21.779 1.00 31.03 H new ATOM 0 HD13 LEU A 61 3.358 17.705 -22.912 1.00 31.03 H new ATOM 0 HD21 LEU A 61 5.200 18.302 -25.307 1.00 2.40 H new ATOM 0 HD22 LEU A 61 3.832 19.336 -24.831 1.00 2.40 H new ATOM 0 HD23 LEU A 61 5.465 20.030 -24.976 1.00 2.40 H new ATOM 960 N ALA A 62 2.313 18.845 -20.495 1.00 34.40 N ATOM 961 CA ALA A 62 1.839 18.519 -19.155 1.00 55.55 C ATOM 962 C ALA A 62 2.087 17.051 -18.827 1.00 14.34 C ATOM 963 O ALA A 62 2.558 16.288 -19.669 1.00 5.03 O ATOM 964 CB ALA A 62 0.359 18.849 -19.025 1.00 32.11 C ATOM 0 H ALA A 62 2.261 18.073 -21.160 1.00 34.40 H new ATOM 0 HA ALA A 62 2.399 19.123 -18.441 1.00 55.55 H new ATOM 0 HB1 ALA A 62 0.018 18.601 -18.020 1.00 32.11 H new ATOM 0 HB2 ALA A 62 0.206 19.913 -19.208 1.00 32.11 H new ATOM 0 HB3 ALA A 62 -0.208 18.270 -19.754 1.00 32.11 H new ATOM 970 N ALA A 63 1.766 16.663 -17.597 1.00 22.13 N ATOM 971 CA ALA A 63 1.953 15.286 -17.157 1.00 63.34 C ATOM 972 C ALA A 63 1.050 14.960 -15.973 1.00 71.40 C ATOM 973 O ALA A 63 1.225 15.499 -14.881 1.00 54.31 O ATOM 974 CB ALA A 63 3.411 15.041 -16.795 1.00 73.43 C ATOM 0 H ALA A 63 1.375 17.283 -16.888 1.00 22.13 H new ATOM 0 HA ALA A 63 1.679 14.627 -17.981 1.00 63.34 H new ATOM 0 HB1 ALA A 63 3.536 14.009 -16.468 1.00 73.43 H new ATOM 0 HB2 ALA A 63 4.038 15.224 -17.667 1.00 73.43 H new ATOM 0 HB3 ALA A 63 3.704 15.715 -15.990 1.00 73.43 H new ATOM 980 N GLU A 64 0.084 14.074 -16.197 1.00 50.24 N ATOM 981 CA GLU A 64 -0.848 13.679 -15.148 1.00 24.53 C ATOM 982 C GLU A 64 -0.499 12.296 -14.604 1.00 30.02 C ATOM 983 O GLU A 64 0.203 11.510 -15.240 1.00 60.30 O ATOM 984 CB GLU A 64 -2.282 13.682 -15.680 1.00 51.41 C ATOM 985 CG GLU A 64 -3.017 14.990 -15.439 1.00 52.22 C ATOM 986 CD GLU A 64 -4.443 14.962 -15.955 1.00 21.53 C ATOM 987 OE1 GLU A 64 -4.674 14.360 -17.025 1.00 12.24 O ATOM 988 OE2 GLU A 64 -5.327 15.540 -15.289 1.00 42.11 O ATOM 0 H GLU A 64 -0.073 13.617 -17.095 1.00 50.24 H new ATOM 0 HA GLU A 64 -0.769 14.402 -14.336 1.00 24.53 H new ATOM 0 HB2 GLU A 64 -2.264 13.477 -16.750 1.00 51.41 H new ATOM 0 HB3 GLU A 64 -2.837 12.871 -15.209 1.00 51.41 H new ATOM 0 HG2 GLU A 64 -3.025 15.206 -14.371 1.00 52.22 H new ATOM 0 HG3 GLU A 64 -2.475 15.802 -15.924 1.00 52.22 H new ATOM 995 N PRO A 65 -1.000 11.992 -13.398 1.00 34.45 N ATOM 996 CA PRO A 65 -0.756 10.704 -12.741 1.00 2.24 C ATOM 997 C PRO A 65 -1.472 9.552 -13.437 1.00 40.44 C ATOM 998 O PRO A 65 -2.167 9.753 -14.434 1.00 62.20 O ATOM 999 CB PRO A 65 -1.320 10.911 -11.333 1.00 12.41 C ATOM 1000 CG PRO A 65 -2.349 11.978 -11.490 1.00 65.33 C ATOM 1001 CD PRO A 65 -1.845 12.881 -12.582 1.00 71.54 C ATOM 0 HA PRO A 65 0.300 10.433 -12.757 1.00 2.24 H new ATOM 0 HB2 PRO A 65 -1.759 9.992 -10.943 1.00 12.41 H new ATOM 0 HB3 PRO A 65 -0.540 11.213 -10.634 1.00 12.41 H new ATOM 0 HG2 PRO A 65 -3.317 11.551 -11.752 1.00 65.33 H new ATOM 0 HG3 PRO A 65 -2.485 12.529 -10.559 1.00 65.33 H new ATOM 0 HD2 PRO A 65 -2.664 13.303 -13.164 1.00 71.54 H new ATOM 0 HD3 PRO A 65 -1.275 13.719 -12.180 1.00 71.54 H new ATOM 1009 N TYR A 66 -1.299 8.347 -12.907 1.00 62.12 N ATOM 1010 CA TYR A 66 -1.927 7.162 -13.480 1.00 14.52 C ATOM 1011 C TYR A 66 -1.547 7.000 -14.948 1.00 62.13 C ATOM 1012 O TYR A 66 -2.288 6.405 -15.729 1.00 42.33 O ATOM 1013 CB TYR A 66 -3.448 7.250 -13.342 1.00 73.43 C ATOM 1014 CG TYR A 66 -4.077 5.999 -12.771 1.00 33.00 C ATOM 1015 CD1 TYR A 66 -3.990 4.785 -13.442 1.00 3.22 C ATOM 1016 CD2 TYR A 66 -4.760 6.031 -11.561 1.00 62.13 C ATOM 1017 CE1 TYR A 66 -4.563 3.640 -12.924 1.00 73.01 C ATOM 1018 CE2 TYR A 66 -5.335 4.890 -11.035 1.00 52.54 C ATOM 1019 CZ TYR A 66 -5.234 3.698 -11.721 1.00 35.45 C ATOM 1020 OH TYR A 66 -5.808 2.560 -11.201 1.00 25.43 O ATOM 0 H TYR A 66 -0.729 8.164 -12.081 1.00 62.12 H new ATOM 0 HA TYR A 66 -1.568 6.290 -12.933 1.00 14.52 H new ATOM 0 HB2 TYR A 66 -3.698 8.097 -12.703 1.00 73.43 H new ATOM 0 HB3 TYR A 66 -3.882 7.451 -14.321 1.00 73.43 H new ATOM 0 HD1 TYR A 66 -3.465 4.736 -14.385 1.00 3.22 H new ATOM 0 HD2 TYR A 66 -4.843 6.964 -11.023 1.00 62.13 H new ATOM 0 HE1 TYR A 66 -4.486 2.705 -13.458 1.00 73.01 H new ATOM 0 HE2 TYR A 66 -5.860 4.931 -10.092 1.00 52.54 H new ATOM 0 HH TYR A 66 -6.241 2.772 -10.348 1.00 25.43 H new TER 1030 TYR A 66