USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 569 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.15! C(o=-2.2!,f=-7.4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 38 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 87:sc= -0.528 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= 0.103 (180deg=0.0296) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= -0.0965 (180deg=-0.513) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 51 THR OG1 : rot 32:sc= 0.424 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 80:sc= 0.886 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -150:sc= -0.0936 USER MOD Single : A 65 THR OG1 : rot -170:sc= 0 USER MOD Single : A 68 SER OG : rot -38:sc= 0.048 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 10 1.025 -1.209 -3.314 1.00 41.33 N ATOM 19 CA LYS A 10 0.444 -2.406 -3.910 1.00 50.33 C ATOM 20 C LYS A 10 -0.099 -2.111 -5.305 1.00 1.51 C ATOM 21 O LYS A 10 -0.780 -1.106 -5.516 1.00 63.52 O ATOM 22 CB LYS A 10 -0.675 -2.951 -3.021 1.00 34.52 C ATOM 23 CG LYS A 10 -0.723 -4.469 -2.965 1.00 1.41 C ATOM 24 CD LYS A 10 -2.083 -4.967 -2.508 1.00 34.41 C ATOM 25 CE LYS A 10 -2.182 -5.006 -0.991 1.00 21.34 C ATOM 26 NZ LYS A 10 -3.326 -5.840 -0.530 1.00 74.53 N ATOM 0 HA LYS A 10 1.230 -3.156 -3.996 1.00 50.33 H new ATOM 0 HB2 LYS A 10 -0.547 -2.562 -2.011 1.00 34.52 H new ATOM 0 HB3 LYS A 10 -1.632 -2.579 -3.387 1.00 34.52 H new ATOM 0 HG2 LYS A 10 -0.497 -4.878 -3.950 1.00 1.41 H new ATOM 0 HG3 LYS A 10 0.046 -4.833 -2.284 1.00 1.41 H new ATOM 0 HD2 LYS A 10 -2.862 -4.318 -2.908 1.00 34.41 H new ATOM 0 HD3 LYS A 10 -2.261 -5.964 -2.911 1.00 34.41 H new ATOM 0 HE2 LYS A 10 -1.255 -5.401 -0.577 1.00 21.34 H new ATOM 0 HE3 LYS A 10 -2.295 -3.992 -0.608 1.00 21.34 H new ATOM 0 HZ1 LYS A 10 -3.358 -5.841 0.509 1.00 74.53 H new ATOM 0 HZ2 LYS A 10 -4.214 -5.448 -0.904 1.00 74.53 H new ATOM 0 HZ3 LYS A 10 -3.206 -6.814 -0.873 1.00 74.53 H new ATOM 40 N ILE A 11 0.206 -2.991 -6.252 1.00 35.30 N ATOM 41 CA ILE A 11 -0.254 -2.825 -7.625 1.00 75.51 C ATOM 42 C ILE A 11 -0.796 -4.136 -8.186 1.00 25.33 C ATOM 43 O ILE A 11 -0.280 -5.213 -7.885 1.00 63.13 O ATOM 44 CB ILE A 11 0.875 -2.316 -8.540 1.00 23.53 C ATOM 45 CG1 ILE A 11 1.413 -0.979 -8.026 1.00 65.41 C ATOM 46 CG2 ILE A 11 0.377 -2.179 -9.970 1.00 52.45 C ATOM 47 CD1 ILE A 11 0.401 0.142 -8.085 1.00 54.52 C ATOM 0 H ILE A 11 0.770 -3.826 -6.094 1.00 35.30 H new ATOM 0 HA ILE A 11 -1.053 -2.084 -7.602 1.00 75.51 H new ATOM 0 HB ILE A 11 1.688 -3.042 -8.528 1.00 23.53 H new ATOM 0 HG12 ILE A 11 1.746 -1.103 -6.996 1.00 65.41 H new ATOM 0 HG13 ILE A 11 2.288 -0.699 -8.613 1.00 65.41 H new ATOM 0 HG21 ILE A 11 1.187 -1.818 -10.604 1.00 52.45 H new ATOM 0 HG22 ILE A 11 0.038 -3.150 -10.332 1.00 52.45 H new ATOM 0 HG23 ILE A 11 -0.451 -1.471 -10.001 1.00 52.45 H new ATOM 0 HD11 ILE A 11 0.851 1.059 -7.705 1.00 54.52 H new ATOM 0 HD12 ILE A 11 0.085 0.293 -9.117 1.00 54.52 H new ATOM 0 HD13 ILE A 11 -0.465 -0.117 -7.475 1.00 54.52 H new ATOM 59 N LYS A 12 -1.838 -4.038 -9.004 1.00 22.00 N ATOM 60 CA LYS A 12 -2.448 -5.215 -9.611 1.00 15.23 C ATOM 61 C LYS A 12 -2.508 -5.075 -11.128 1.00 73.45 C ATOM 62 O LYS A 12 -3.165 -4.175 -11.653 1.00 31.32 O ATOM 63 CB LYS A 12 -3.857 -5.429 -9.052 1.00 22.53 C ATOM 64 CG LYS A 12 -3.900 -5.541 -7.538 1.00 23.54 C ATOM 65 CD LYS A 12 -5.325 -5.482 -7.014 1.00 40.22 C ATOM 66 CE LYS A 12 -6.055 -6.797 -7.235 1.00 74.51 C ATOM 67 NZ LYS A 12 -7.289 -6.617 -8.050 1.00 22.10 N ATOM 0 H LYS A 12 -2.278 -3.155 -9.262 1.00 22.00 H new ATOM 0 HA LYS A 12 -1.831 -6.080 -9.368 1.00 15.23 H new ATOM 0 HB2 LYS A 12 -4.493 -4.601 -9.365 1.00 22.53 H new ATOM 0 HB3 LYS A 12 -4.278 -6.336 -9.487 1.00 22.53 H new ATOM 0 HG2 LYS A 12 -3.436 -6.478 -7.228 1.00 23.54 H new ATOM 0 HG3 LYS A 12 -3.315 -4.734 -7.096 1.00 23.54 H new ATOM 0 HD2 LYS A 12 -5.313 -5.246 -5.950 1.00 40.22 H new ATOM 0 HD3 LYS A 12 -5.864 -4.677 -7.513 1.00 40.22 H new ATOM 0 HE2 LYS A 12 -5.390 -7.502 -7.734 1.00 74.51 H new ATOM 0 HE3 LYS A 12 -6.317 -7.233 -6.271 1.00 74.51 H new ATOM 0 HZ1 LYS A 12 -7.758 -7.537 -8.178 1.00 22.10 H new ATOM 0 HZ2 LYS A 12 -7.935 -5.964 -7.562 1.00 22.10 H new ATOM 0 HZ3 LYS A 12 -7.037 -6.225 -8.980 1.00 22.10 H new ATOM 81 N ILE A 13 -1.821 -5.972 -11.828 1.00 5.51 N ATOM 82 CA ILE A 13 -1.798 -5.949 -13.285 1.00 74.02 C ATOM 83 C ILE A 13 -2.364 -7.242 -13.864 1.00 2.34 C ATOM 84 O ILE A 13 -1.881 -8.333 -13.561 1.00 72.23 O ATOM 85 CB ILE A 13 -0.371 -5.740 -13.823 1.00 65.44 C ATOM 86 CG1 ILE A 13 0.602 -6.701 -13.136 1.00 43.14 C ATOM 87 CG2 ILE A 13 0.067 -4.298 -13.618 1.00 43.13 C ATOM 88 CD1 ILE A 13 2.032 -6.551 -13.606 1.00 63.22 C ATOM 0 H ILE A 13 -1.273 -6.724 -11.409 1.00 5.51 H new ATOM 0 HA ILE A 13 -2.421 -5.111 -13.597 1.00 74.02 H new ATOM 0 HB ILE A 13 -0.367 -5.951 -14.892 1.00 65.44 H new ATOM 0 HG12 ILE A 13 0.563 -6.537 -12.059 1.00 43.14 H new ATOM 0 HG13 ILE A 13 0.275 -7.725 -13.314 1.00 43.14 H new ATOM 0 HG21 ILE A 13 1.078 -4.167 -14.004 1.00 43.13 H new ATOM 0 HG22 ILE A 13 -0.613 -3.632 -14.149 1.00 43.13 H new ATOM 0 HG23 ILE A 13 0.051 -4.060 -12.554 1.00 43.13 H new ATOM 0 HD11 ILE A 13 2.665 -7.263 -13.077 1.00 63.22 H new ATOM 0 HD12 ILE A 13 2.085 -6.744 -14.677 1.00 63.22 H new ATOM 0 HD13 ILE A 13 2.377 -5.537 -13.403 1.00 63.22 H new ATOM 100 N VAL A 14 -3.389 -7.111 -14.699 1.00 53.12 N ATOM 101 CA VAL A 14 -4.019 -8.268 -15.323 1.00 74.23 C ATOM 102 C VAL A 14 -3.683 -8.343 -16.808 1.00 53.35 C ATOM 103 O VAL A 14 -3.787 -7.361 -17.544 1.00 14.21 O ATOM 104 CB VAL A 14 -5.550 -8.232 -15.156 1.00 30.43 C ATOM 105 CG1 VAL A 14 -6.134 -7.006 -15.841 1.00 61.41 C ATOM 106 CG2 VAL A 14 -6.175 -9.507 -15.702 1.00 33.11 C ATOM 0 H VAL A 14 -3.801 -6.215 -14.959 1.00 53.12 H new ATOM 0 HA VAL A 14 -3.626 -9.151 -14.819 1.00 74.23 H new ATOM 0 HB VAL A 14 -5.781 -8.168 -14.093 1.00 30.43 H new ATOM 0 HG11 VAL A 14 -7.216 -6.998 -15.712 1.00 61.41 H new ATOM 0 HG12 VAL A 14 -5.709 -6.105 -15.398 1.00 61.41 H new ATOM 0 HG13 VAL A 14 -5.895 -7.035 -16.904 1.00 61.41 H new ATOM 0 HG21 VAL A 14 -7.257 -9.465 -15.576 1.00 33.11 H new ATOM 0 HG22 VAL A 14 -5.937 -9.604 -16.761 1.00 33.11 H new ATOM 0 HG23 VAL A 14 -5.780 -10.367 -15.161 1.00 33.11 H new ATOM 116 N PRO A 15 -3.270 -9.535 -17.263 1.00 33.34 N ATOM 117 CA PRO A 15 -2.911 -9.767 -18.665 1.00 33.32 C ATOM 118 C PRO A 15 -4.124 -9.726 -19.588 1.00 51.12 C ATOM 119 O PRO A 15 -5.192 -10.233 -19.248 1.00 55.01 O ATOM 120 CB PRO A 15 -2.301 -11.171 -18.647 1.00 5.20 C ATOM 121 CG PRO A 15 -2.911 -11.835 -17.461 1.00 51.42 C ATOM 122 CD PRO A 15 -3.123 -10.749 -16.442 1.00 63.23 C ATOM 0 HA PRO A 15 -2.238 -8.999 -19.046 1.00 33.32 H new ATOM 0 HB2 PRO A 15 -2.529 -11.713 -19.565 1.00 5.20 H new ATOM 0 HB3 PRO A 15 -1.215 -11.130 -18.562 1.00 5.20 H new ATOM 0 HG2 PRO A 15 -3.855 -12.313 -17.724 1.00 51.42 H new ATOM 0 HG3 PRO A 15 -2.257 -12.614 -17.070 1.00 51.42 H new ATOM 0 HD2 PRO A 15 -4.010 -10.934 -15.836 1.00 63.23 H new ATOM 0 HD3 PRO A 15 -2.279 -10.671 -15.756 1.00 63.23 H new ATOM 130 N ALA A 16 -3.951 -9.119 -20.758 1.00 0.02 N ATOM 131 CA ALA A 16 -5.031 -9.014 -21.731 1.00 41.11 C ATOM 132 C ALA A 16 -5.092 -10.252 -22.619 1.00 33.42 C ATOM 133 O ALA A 16 -5.106 -10.149 -23.845 1.00 73.35 O ATOM 134 CB ALA A 16 -4.857 -7.763 -22.579 1.00 53.40 C ATOM 0 H ALA A 16 -3.073 -8.693 -21.055 1.00 0.02 H new ATOM 0 HA ALA A 16 -5.972 -8.943 -21.186 1.00 41.11 H new ATOM 0 HB1 ALA A 16 -5.671 -7.697 -23.301 1.00 53.40 H new ATOM 0 HB2 ALA A 16 -4.870 -6.883 -21.936 1.00 53.40 H new ATOM 0 HB3 ALA A 16 -3.905 -7.811 -23.108 1.00 53.40 H new ATOM 170 N GLY A 20 -7.878 -13.280 -18.930 1.00 42.25 N ATOM 171 CA GLY A 20 -6.739 -13.829 -18.218 1.00 70.22 C ATOM 172 C GLY A 20 -6.926 -13.797 -16.714 1.00 65.32 C ATOM 173 O GLY A 20 -8.053 -13.767 -16.222 1.00 55.33 O ATOM 0 HA2 GLY A 20 -6.575 -14.858 -18.539 1.00 70.22 H new ATOM 0 HA3 GLY A 20 -5.844 -13.266 -18.482 1.00 70.22 H new ATOM 177 N SER A 21 -5.816 -13.806 -15.982 1.00 15.04 N ATOM 178 CA SER A 21 -5.863 -13.783 -14.524 1.00 62.43 C ATOM 179 C SER A 21 -4.979 -12.670 -13.970 1.00 22.31 C ATOM 180 O SER A 21 -3.798 -12.559 -14.298 1.00 45.04 O ATOM 181 CB SER A 21 -5.418 -15.133 -13.958 1.00 32.22 C ATOM 182 OG SER A 21 -4.402 -15.712 -14.758 1.00 71.30 O ATOM 0 H SER A 21 -4.875 -13.829 -16.374 1.00 15.04 H new ATOM 0 HA SER A 21 -6.892 -13.591 -14.220 1.00 62.43 H new ATOM 0 HB2 SER A 21 -5.052 -15.001 -12.940 1.00 32.22 H new ATOM 0 HB3 SER A 21 -6.272 -15.808 -13.905 1.00 32.22 H new ATOM 0 HG SER A 21 -4.134 -16.573 -14.374 1.00 71.30 H new ATOM 188 N PRO A 22 -5.564 -11.825 -13.108 1.00 23.41 N ATOM 189 CA PRO A 22 -4.849 -10.706 -12.488 1.00 45.34 C ATOM 190 C PRO A 22 -3.807 -11.172 -11.477 1.00 10.32 C ATOM 191 O PRO A 22 -3.979 -12.201 -10.822 1.00 14.30 O ATOM 192 CB PRO A 22 -5.959 -9.919 -11.788 1.00 75.12 C ATOM 193 CG PRO A 22 -7.028 -10.923 -11.528 1.00 35.51 C ATOM 194 CD PRO A 22 -6.968 -11.898 -12.671 1.00 71.41 C ATOM 0 HA PRO A 22 -4.292 -10.123 -13.221 1.00 45.34 H new ATOM 0 HB2 PRO A 22 -5.602 -9.471 -10.860 1.00 75.12 H new ATOM 0 HB3 PRO A 22 -6.324 -9.106 -12.415 1.00 75.12 H new ATOM 0 HG2 PRO A 22 -6.866 -11.428 -10.576 1.00 35.51 H new ATOM 0 HG3 PRO A 22 -8.006 -10.446 -11.473 1.00 35.51 H new ATOM 0 HD2 PRO A 22 -7.239 -12.905 -12.355 1.00 71.41 H new ATOM 0 HD3 PRO A 22 -7.653 -11.621 -13.472 1.00 71.41 H new ATOM 202 N LEU A 23 -2.727 -10.409 -11.353 1.00 45.12 N ATOM 203 CA LEU A 23 -1.656 -10.744 -10.420 1.00 53.40 C ATOM 204 C LEU A 23 -1.364 -9.574 -9.485 1.00 64.42 C ATOM 205 O LEU A 23 -1.227 -8.434 -9.927 1.00 32.02 O ATOM 206 CB LEU A 23 -0.389 -11.130 -11.184 1.00 62.13 C ATOM 207 CG LEU A 23 -0.561 -12.179 -12.283 1.00 74.23 C ATOM 208 CD1 LEU A 23 0.384 -11.899 -13.442 1.00 34.25 C ATOM 209 CD2 LEU A 23 -0.328 -13.577 -11.728 1.00 0.40 C ATOM 0 H LEU A 23 -2.569 -9.554 -11.887 1.00 45.12 H new ATOM 0 HA LEU A 23 -1.983 -11.593 -9.819 1.00 53.40 H new ATOM 0 HB2 LEU A 23 0.030 -10.229 -11.632 1.00 62.13 H new ATOM 0 HB3 LEU A 23 0.344 -11.500 -10.468 1.00 62.13 H new ATOM 0 HG LEU A 23 -1.584 -12.123 -12.654 1.00 74.23 H new ATOM 0 HD11 LEU A 23 0.247 -12.656 -14.214 1.00 34.25 H new ATOM 0 HD12 LEU A 23 0.169 -10.914 -13.857 1.00 34.25 H new ATOM 0 HD13 LEU A 23 1.414 -11.926 -13.086 1.00 34.25 H new ATOM 0 HD21 LEU A 23 -0.455 -14.310 -12.524 1.00 0.40 H new ATOM 0 HD22 LEU A 23 0.684 -13.646 -11.329 1.00 0.40 H new ATOM 0 HD23 LEU A 23 -1.046 -13.777 -10.933 1.00 0.40 H new ATOM 221 N GLU A 24 -1.266 -9.867 -8.192 1.00 74.11 N ATOM 222 CA GLU A 24 -0.988 -8.839 -7.196 1.00 31.53 C ATOM 223 C GLU A 24 0.452 -8.938 -6.700 1.00 33.22 C ATOM 224 O GLU A 24 0.909 -10.008 -6.295 1.00 11.23 O ATOM 225 CB GLU A 24 -1.955 -8.966 -6.017 1.00 11.24 C ATOM 226 CG GLU A 24 -3.417 -8.988 -6.428 1.00 55.44 C ATOM 227 CD GLU A 24 -3.990 -10.391 -6.472 1.00 53.14 C ATOM 228 OE1 GLU A 24 -4.402 -10.897 -5.407 1.00 51.52 O ATOM 229 OE2 GLU A 24 -4.027 -10.983 -7.571 1.00 24.41 O ATOM 0 H GLU A 24 -1.375 -10.807 -7.810 1.00 74.11 H new ATOM 0 HA GLU A 24 -1.126 -7.866 -7.667 1.00 31.53 H new ATOM 0 HB2 GLU A 24 -1.727 -9.880 -5.468 1.00 11.24 H new ATOM 0 HB3 GLU A 24 -1.791 -8.134 -5.333 1.00 11.24 H new ATOM 0 HG2 GLU A 24 -3.996 -8.385 -5.729 1.00 55.44 H new ATOM 0 HG3 GLU A 24 -3.521 -8.526 -7.410 1.00 55.44 H new ATOM 236 N LEU A 25 1.161 -7.816 -6.735 1.00 44.11 N ATOM 237 CA LEU A 25 2.550 -7.774 -6.290 1.00 20.40 C ATOM 238 C LEU A 25 2.855 -6.459 -5.581 1.00 24.15 C ATOM 239 O LEU A 25 2.191 -5.450 -5.813 1.00 4.54 O ATOM 240 CB LEU A 25 3.493 -7.956 -7.480 1.00 45.03 C ATOM 241 CG LEU A 25 4.604 -8.992 -7.305 1.00 22.05 C ATOM 242 CD1 LEU A 25 4.512 -10.062 -8.382 1.00 11.52 C ATOM 243 CD2 LEU A 25 5.969 -8.320 -7.333 1.00 24.42 C ATOM 0 H LEU A 25 0.797 -6.923 -7.067 1.00 44.11 H new ATOM 0 HA LEU A 25 2.704 -8.590 -5.584 1.00 20.40 H new ATOM 0 HB2 LEU A 25 2.898 -8.234 -8.350 1.00 45.03 H new ATOM 0 HB3 LEU A 25 3.953 -6.994 -7.703 1.00 45.03 H new ATOM 0 HG LEU A 25 4.477 -9.472 -6.334 1.00 22.05 H new ATOM 0 HD11 LEU A 25 5.311 -10.790 -8.241 1.00 11.52 H new ATOM 0 HD12 LEU A 25 3.547 -10.564 -8.314 1.00 11.52 H new ATOM 0 HD13 LEU A 25 4.612 -9.599 -9.364 1.00 11.52 H new ATOM 0 HD21 LEU A 25 6.748 -9.072 -7.207 1.00 24.42 H new ATOM 0 HD22 LEU A 25 6.105 -7.813 -8.288 1.00 24.42 H new ATOM 0 HD23 LEU A 25 6.033 -7.593 -6.524 1.00 24.42 H new ATOM 255 N GLU A 26 3.866 -6.479 -4.717 1.00 33.23 N ATOM 256 CA GLU A 26 4.259 -5.287 -3.975 1.00 24.11 C ATOM 257 C GLU A 26 5.478 -4.627 -4.613 1.00 51.44 C ATOM 258 O GLU A 26 6.594 -5.139 -4.524 1.00 52.31 O ATOM 259 CB GLU A 26 4.563 -5.643 -2.518 1.00 64.11 C ATOM 260 CG GLU A 26 5.562 -6.778 -2.365 1.00 3.35 C ATOM 261 CD GLU A 26 6.744 -6.401 -1.492 1.00 52.30 C ATOM 262 OE1 GLU A 26 7.657 -5.714 -1.996 1.00 2.01 O ATOM 263 OE2 GLU A 26 6.755 -6.792 -0.306 1.00 64.24 O ATOM 0 H GLU A 26 4.427 -7.307 -4.514 1.00 33.23 H new ATOM 0 HA GLU A 26 3.428 -4.582 -4.004 1.00 24.11 H new ATOM 0 HB2 GLU A 26 4.949 -4.759 -2.010 1.00 64.11 H new ATOM 0 HB3 GLU A 26 3.634 -5.918 -2.018 1.00 64.11 H new ATOM 0 HG2 GLU A 26 5.059 -7.644 -1.935 1.00 3.35 H new ATOM 0 HG3 GLU A 26 5.923 -7.075 -3.350 1.00 3.35 H new ATOM 270 N VAL A 27 5.255 -3.486 -5.259 1.00 2.03 N ATOM 271 CA VAL A 27 6.334 -2.754 -5.912 1.00 73.22 C ATOM 272 C VAL A 27 6.158 -1.249 -5.743 1.00 60.31 C ATOM 273 O VAL A 27 5.062 -0.771 -5.455 1.00 55.42 O ATOM 274 CB VAL A 27 6.407 -3.086 -7.415 1.00 2.25 C ATOM 275 CG1 VAL A 27 5.275 -2.404 -8.168 1.00 23.10 C ATOM 276 CG2 VAL A 27 7.758 -2.680 -7.984 1.00 2.21 C ATOM 0 H VAL A 27 4.337 -3.049 -5.344 1.00 2.03 H new ATOM 0 HA VAL A 27 7.263 -3.064 -5.433 1.00 73.22 H new ATOM 0 HB VAL A 27 6.295 -4.163 -7.538 1.00 2.25 H new ATOM 0 HG11 VAL A 27 5.343 -2.650 -9.228 1.00 23.10 H new ATOM 0 HG12 VAL A 27 4.318 -2.748 -7.776 1.00 23.10 H new ATOM 0 HG13 VAL A 27 5.352 -1.324 -8.041 1.00 23.10 H new ATOM 0 HG21 VAL A 27 7.793 -2.921 -9.046 1.00 2.21 H new ATOM 0 HG22 VAL A 27 7.902 -1.608 -7.851 1.00 2.21 H new ATOM 0 HG23 VAL A 27 8.549 -3.219 -7.463 1.00 2.21 H new ATOM 286 N ALA A 28 7.246 -0.508 -5.925 1.00 1.05 N ATOM 287 CA ALA A 28 7.212 0.943 -5.795 1.00 11.44 C ATOM 288 C ALA A 28 7.349 1.620 -7.154 1.00 65.35 C ATOM 289 O ALA A 28 8.388 1.541 -7.812 1.00 13.14 O ATOM 290 CB ALA A 28 8.311 1.415 -4.855 1.00 5.23 C ATOM 0 H ALA A 28 8.162 -0.889 -6.163 1.00 1.05 H new ATOM 0 HA ALA A 28 6.246 1.222 -5.375 1.00 11.44 H new ATOM 0 HB1 ALA A 28 8.273 2.501 -4.768 1.00 5.23 H new ATOM 0 HB2 ALA A 28 8.167 0.967 -3.872 1.00 5.23 H new ATOM 0 HB3 ALA A 28 9.282 1.116 -5.251 1.00 5.23 H new ATOM 296 N PRO A 29 6.278 2.300 -7.589 1.00 23.00 N ATOM 297 CA PRO A 29 6.255 3.003 -8.875 1.00 43.11 C ATOM 298 C PRO A 29 7.160 4.231 -8.881 1.00 34.22 C ATOM 299 O PRO A 29 7.434 4.806 -9.933 1.00 11.21 O ATOM 300 CB PRO A 29 4.790 3.418 -9.026 1.00 73.25 C ATOM 301 CG PRO A 29 4.272 3.495 -7.632 1.00 33.33 C ATOM 302 CD PRO A 29 5.007 2.436 -6.858 1.00 23.31 C ATOM 0 HA PRO A 29 6.621 2.377 -9.688 1.00 43.11 H new ATOM 0 HB2 PRO A 29 4.701 4.378 -9.535 1.00 73.25 H new ATOM 0 HB3 PRO A 29 4.232 2.691 -9.616 1.00 73.25 H new ATOM 0 HG2 PRO A 29 4.447 4.482 -7.205 1.00 33.33 H new ATOM 0 HG3 PRO A 29 3.196 3.322 -7.605 1.00 33.33 H new ATOM 0 HD2 PRO A 29 5.169 2.735 -5.822 1.00 23.31 H new ATOM 0 HD3 PRO A 29 4.454 1.497 -6.836 1.00 23.31 H new ATOM 310 N ASN A 30 7.620 4.626 -7.698 1.00 42.44 N ATOM 311 CA ASN A 30 8.494 5.787 -7.568 1.00 22.42 C ATOM 312 C ASN A 30 9.953 5.395 -7.780 1.00 5.13 C ATOM 313 O ASN A 30 10.863 6.177 -7.504 1.00 52.00 O ATOM 314 CB ASN A 30 8.322 6.429 -6.190 1.00 34.42 C ATOM 315 CG ASN A 30 8.591 5.453 -5.060 1.00 15.41 C ATOM 316 OD1 ASN A 30 7.875 4.466 -4.894 1.00 71.52 O ATOM 317 ND2 ASN A 30 9.627 5.728 -4.276 1.00 34.22 N ATOM 0 H ASN A 30 7.403 4.160 -6.817 1.00 42.44 H new ATOM 0 HA ASN A 30 8.215 6.509 -8.335 1.00 22.42 H new ATOM 0 HB2 ASN A 30 8.999 7.279 -6.101 1.00 34.42 H new ATOM 0 HB3 ASN A 30 7.308 6.818 -6.097 1.00 34.42 H new ATOM 0 HD21 ASN A 30 9.857 5.109 -3.498 1.00 34.22 H new ATOM 0 HD22 ASN A 30 10.193 6.558 -4.451 1.00 34.22 H new ATOM 324 N ALA A 31 10.169 4.179 -8.272 1.00 12.43 N ATOM 325 CA ALA A 31 11.517 3.685 -8.523 1.00 74.22 C ATOM 326 C ALA A 31 11.842 3.710 -10.013 1.00 14.11 C ATOM 327 O ALA A 31 12.534 4.608 -10.493 1.00 63.12 O ATOM 328 CB ALA A 31 11.673 2.276 -7.971 1.00 25.13 C ATOM 0 H ALA A 31 9.428 3.518 -8.504 1.00 12.43 H new ATOM 0 HA ALA A 31 12.220 4.344 -8.013 1.00 74.22 H new ATOM 0 HB1 ALA A 31 12.684 1.919 -8.165 1.00 25.13 H new ATOM 0 HB2 ALA A 31 11.491 2.284 -6.896 1.00 25.13 H new ATOM 0 HB3 ALA A 31 10.955 1.614 -8.455 1.00 25.13 H new ATOM 334 N THR A 32 11.338 2.718 -10.741 1.00 13.31 N ATOM 335 CA THR A 32 11.576 2.626 -12.176 1.00 30.13 C ATOM 336 C THR A 32 10.507 1.779 -12.857 1.00 42.11 C ATOM 337 O THR A 32 10.041 0.784 -12.301 1.00 50.52 O ATOM 338 CB THR A 32 12.961 2.024 -12.477 1.00 64.05 C ATOM 339 OG1 THR A 32 13.481 1.380 -11.309 1.00 10.33 O ATOM 340 CG2 THR A 32 13.930 3.101 -12.942 1.00 52.13 C ATOM 0 H THR A 32 10.762 1.967 -10.360 1.00 13.31 H new ATOM 0 HA THR A 32 11.536 3.642 -12.570 1.00 30.13 H new ATOM 0 HB THR A 32 12.847 1.290 -13.275 1.00 64.05 H new ATOM 0 HG1 THR A 32 14.361 0.999 -11.510 1.00 10.33 H new ATOM 0 HG21 THR A 32 14.901 2.652 -13.149 1.00 52.13 H new ATOM 0 HG22 THR A 32 13.546 3.569 -13.849 1.00 52.13 H new ATOM 0 HG23 THR A 32 14.037 3.855 -12.162 1.00 52.13 H new ATOM 348 N VAL A 33 10.123 2.179 -14.065 1.00 51.11 N ATOM 349 CA VAL A 33 9.110 1.455 -14.824 1.00 13.43 C ATOM 350 C VAL A 33 9.629 0.096 -15.277 1.00 64.20 C ATOM 351 O VAL A 33 8.957 -0.922 -15.118 1.00 70.12 O ATOM 352 CB VAL A 33 8.654 2.256 -16.058 1.00 41.21 C ATOM 353 CG1 VAL A 33 7.561 1.508 -16.806 1.00 43.34 C ATOM 354 CG2 VAL A 33 8.179 3.642 -15.648 1.00 34.21 C ATOM 0 H VAL A 33 10.498 3.001 -14.539 1.00 51.11 H new ATOM 0 HA VAL A 33 8.259 1.312 -14.158 1.00 13.43 H new ATOM 0 HB VAL A 33 9.505 2.373 -16.729 1.00 41.21 H new ATOM 0 HG11 VAL A 33 7.251 2.089 -17.675 1.00 43.34 H new ATOM 0 HG12 VAL A 33 7.941 0.540 -17.133 1.00 43.34 H new ATOM 0 HG13 VAL A 33 6.706 1.358 -16.147 1.00 43.34 H new ATOM 0 HG21 VAL A 33 7.861 4.194 -16.532 1.00 34.21 H new ATOM 0 HG22 VAL A 33 7.341 3.550 -14.957 1.00 34.21 H new ATOM 0 HG23 VAL A 33 8.994 4.177 -15.161 1.00 34.21 H new ATOM 364 N GLY A 34 10.833 0.087 -15.843 1.00 32.34 N ATOM 365 CA GLY A 34 11.423 -1.154 -16.310 1.00 44.33 C ATOM 366 C GLY A 34 11.712 -2.121 -15.179 1.00 42.24 C ATOM 367 O GLY A 34 11.628 -3.336 -15.356 1.00 43.22 O ATOM 0 H GLY A 34 11.409 0.916 -15.986 1.00 32.34 H new ATOM 0 HA2 GLY A 34 10.749 -1.627 -17.025 1.00 44.33 H new ATOM 0 HA3 GLY A 34 12.349 -0.935 -16.842 1.00 44.33 H new ATOM 371 N ALA A 35 12.055 -1.581 -14.014 1.00 61.14 N ATOM 372 CA ALA A 35 12.357 -2.405 -12.850 1.00 42.23 C ATOM 373 C ALA A 35 11.119 -3.157 -12.374 1.00 63.10 C ATOM 374 O ALA A 35 11.181 -4.351 -12.080 1.00 72.02 O ATOM 375 CB ALA A 35 12.920 -1.546 -11.728 1.00 14.34 C ATOM 0 H ALA A 35 12.131 -0.577 -13.851 1.00 61.14 H new ATOM 0 HA ALA A 35 13.107 -3.141 -13.140 1.00 42.23 H new ATOM 0 HB1 ALA A 35 13.141 -2.174 -10.865 1.00 14.34 H new ATOM 0 HB2 ALA A 35 13.835 -1.059 -12.066 1.00 14.34 H new ATOM 0 HB3 ALA A 35 12.188 -0.788 -11.448 1.00 14.34 H new ATOM 381 N VAL A 36 9.996 -2.451 -12.299 1.00 14.10 N ATOM 382 CA VAL A 36 8.743 -3.052 -11.858 1.00 74.44 C ATOM 383 C VAL A 36 8.235 -4.070 -12.873 1.00 71.44 C ATOM 384 O VAL A 36 7.837 -5.178 -12.511 1.00 52.43 O ATOM 385 CB VAL A 36 7.656 -1.984 -11.632 1.00 24.22 C ATOM 386 CG1 VAL A 36 6.361 -2.630 -11.164 1.00 23.22 C ATOM 387 CG2 VAL A 36 8.134 -0.943 -10.631 1.00 44.22 C ATOM 0 H VAL A 36 9.928 -1.462 -12.538 1.00 14.10 H new ATOM 0 HA VAL A 36 8.949 -3.555 -10.913 1.00 74.44 H new ATOM 0 HB VAL A 36 7.461 -1.482 -12.580 1.00 24.22 H new ATOM 0 HG11 VAL A 36 5.605 -1.860 -11.010 1.00 23.22 H new ATOM 0 HG12 VAL A 36 6.012 -3.335 -11.919 1.00 23.22 H new ATOM 0 HG13 VAL A 36 6.536 -3.159 -10.227 1.00 23.22 H new ATOM 0 HG21 VAL A 36 7.354 -0.196 -10.483 1.00 44.22 H new ATOM 0 HG22 VAL A 36 8.358 -1.428 -9.681 1.00 44.22 H new ATOM 0 HG23 VAL A 36 9.033 -0.458 -11.011 1.00 44.22 H new ATOM 397 N ARG A 37 8.252 -3.688 -14.146 1.00 63.01 N ATOM 398 CA ARG A 37 7.793 -4.567 -15.214 1.00 71.44 C ATOM 399 C ARG A 37 8.634 -5.840 -15.271 1.00 13.53 C ATOM 400 O ARG A 37 8.110 -6.935 -15.477 1.00 11.13 O ATOM 401 CB ARG A 37 7.853 -3.844 -16.561 1.00 11.32 C ATOM 402 CG ARG A 37 6.859 -4.373 -17.581 1.00 54.25 C ATOM 403 CD ARG A 37 6.912 -3.576 -18.876 1.00 31.52 C ATOM 404 NE ARG A 37 8.246 -3.585 -19.469 1.00 62.34 N ATOM 405 CZ ARG A 37 8.647 -2.715 -20.389 1.00 43.30 C ATOM 406 NH1 ARG A 37 7.821 -1.770 -20.818 1.00 21.43 N ATOM 407 NH2 ARG A 37 9.877 -2.787 -20.881 1.00 63.34 N ATOM 0 H ARG A 37 8.579 -2.775 -14.463 1.00 63.01 H new ATOM 0 HA ARG A 37 6.760 -4.843 -15.003 1.00 71.44 H new ATOM 0 HB2 ARG A 37 7.667 -2.782 -16.402 1.00 11.32 H new ATOM 0 HB3 ARG A 37 8.860 -3.934 -16.967 1.00 11.32 H new ATOM 0 HG2 ARG A 37 7.072 -5.422 -17.789 1.00 54.25 H new ATOM 0 HG3 ARG A 37 5.852 -4.329 -17.166 1.00 54.25 H new ATOM 0 HD2 ARG A 37 6.197 -3.990 -19.586 1.00 31.52 H new ATOM 0 HD3 ARG A 37 6.609 -2.547 -18.681 1.00 31.52 H new ATOM 0 HE ARG A 37 8.906 -4.298 -19.160 1.00 62.34 H new ATOM 0 HH11 ARG A 37 6.875 -1.710 -20.441 1.00 21.43 H new ATOM 0 HH12 ARG A 37 8.132 -1.103 -21.525 1.00 21.43 H new ATOM 0 HH21 ARG A 37 10.516 -3.511 -20.553 1.00 63.34 H new ATOM 0 HH22 ARG A 37 10.184 -2.118 -21.587 1.00 63.34 H new ATOM 421 N THR A 38 9.942 -5.687 -15.087 1.00 34.13 N ATOM 422 CA THR A 38 10.855 -6.822 -15.118 1.00 62.21 C ATOM 423 C THR A 38 10.666 -7.714 -13.897 1.00 30.34 C ATOM 424 O THR A 38 10.748 -8.939 -13.991 1.00 35.24 O ATOM 425 CB THR A 38 12.323 -6.360 -15.180 1.00 23.12 C ATOM 426 OG1 THR A 38 12.537 -5.561 -16.349 1.00 32.31 O ATOM 427 CG2 THR A 38 13.266 -7.554 -15.196 1.00 1.21 C ATOM 0 H THR A 38 10.392 -4.788 -14.915 1.00 34.13 H new ATOM 0 HA THR A 38 10.622 -7.390 -16.019 1.00 62.21 H new ATOM 0 HB THR A 38 12.531 -5.765 -14.291 1.00 23.12 H new ATOM 0 HG1 THR A 38 12.244 -4.642 -16.175 1.00 32.31 H new ATOM 0 HG21 THR A 38 14.297 -7.203 -15.240 1.00 1.21 H new ATOM 0 HG22 THR A 38 13.122 -8.144 -14.291 1.00 1.21 H new ATOM 0 HG23 THR A 38 13.056 -8.172 -16.069 1.00 1.21 H new ATOM 435 N LYS A 39 10.412 -7.093 -12.750 1.00 20.22 N ATOM 436 CA LYS A 39 10.209 -7.831 -11.508 1.00 52.55 C ATOM 437 C LYS A 39 8.972 -8.719 -11.599 1.00 40.34 C ATOM 438 O LYS A 39 9.005 -9.888 -11.215 1.00 43.21 O ATOM 439 CB LYS A 39 10.068 -6.861 -10.333 1.00 22.24 C ATOM 440 CG LYS A 39 9.746 -7.545 -9.015 1.00 71.54 C ATOM 441 CD LYS A 39 10.642 -7.047 -7.894 1.00 63.22 C ATOM 442 CE LYS A 39 12.002 -7.728 -7.923 1.00 60.23 C ATOM 443 NZ LYS A 39 12.240 -8.544 -6.700 1.00 61.04 N ATOM 0 H LYS A 39 10.342 -6.080 -12.654 1.00 20.22 H new ATOM 0 HA LYS A 39 11.079 -8.466 -11.345 1.00 52.55 H new ATOM 0 HB2 LYS A 39 10.995 -6.298 -10.224 1.00 22.24 H new ATOM 0 HB3 LYS A 39 9.283 -6.140 -10.560 1.00 22.24 H new ATOM 0 HG2 LYS A 39 8.703 -7.364 -8.756 1.00 71.54 H new ATOM 0 HG3 LYS A 39 9.865 -8.623 -9.125 1.00 71.54 H new ATOM 0 HD2 LYS A 39 10.772 -5.968 -7.983 1.00 63.22 H new ATOM 0 HD3 LYS A 39 10.162 -7.232 -6.933 1.00 63.22 H new ATOM 0 HE2 LYS A 39 12.070 -8.366 -8.804 1.00 60.23 H new ATOM 0 HE3 LYS A 39 12.784 -6.974 -8.014 1.00 60.23 H new ATOM 0 HZ1 LYS A 39 13.177 -8.992 -6.758 1.00 61.04 H new ATOM 0 HZ2 LYS A 39 12.200 -7.931 -5.861 1.00 61.04 H new ATOM 0 HZ3 LYS A 39 11.509 -9.280 -6.626 1.00 61.04 H new ATOM 457 N VAL A 40 7.882 -8.157 -12.112 1.00 13.33 N ATOM 458 CA VAL A 40 6.635 -8.899 -12.256 1.00 11.43 C ATOM 459 C VAL A 40 6.757 -9.975 -13.328 1.00 73.31 C ATOM 460 O VAL A 40 6.351 -11.120 -13.122 1.00 54.32 O ATOM 461 CB VAL A 40 5.464 -7.964 -12.613 1.00 33.13 C ATOM 462 CG1 VAL A 40 4.170 -8.754 -12.739 1.00 13.44 C ATOM 463 CG2 VAL A 40 5.326 -6.862 -11.574 1.00 4.35 C ATOM 0 H VAL A 40 7.837 -7.190 -12.435 1.00 13.33 H new ATOM 0 HA VAL A 40 6.434 -9.370 -11.294 1.00 11.43 H new ATOM 0 HB VAL A 40 5.674 -7.499 -13.576 1.00 33.13 H new ATOM 0 HG11 VAL A 40 3.354 -8.077 -12.992 1.00 13.44 H new ATOM 0 HG12 VAL A 40 4.276 -9.503 -13.523 1.00 13.44 H new ATOM 0 HG13 VAL A 40 3.952 -9.248 -11.792 1.00 13.44 H new ATOM 0 HG21 VAL A 40 4.494 -6.211 -11.842 1.00 4.35 H new ATOM 0 HG22 VAL A 40 5.139 -7.305 -10.596 1.00 4.35 H new ATOM 0 HG23 VAL A 40 6.246 -6.279 -11.538 1.00 4.35 H new ATOM 473 N CYS A 41 7.319 -9.602 -14.472 1.00 54.33 N ATOM 474 CA CYS A 41 7.494 -10.536 -15.579 1.00 1.13 C ATOM 475 C CYS A 41 8.289 -11.760 -15.136 1.00 34.22 C ATOM 476 O CYS A 41 7.920 -12.894 -15.439 1.00 63.43 O ATOM 477 CB CYS A 41 8.203 -9.848 -16.747 1.00 32.15 C ATOM 478 SG CYS A 41 7.125 -8.797 -17.748 1.00 3.42 S ATOM 0 H CYS A 41 7.661 -8.659 -14.658 1.00 54.33 H new ATOM 0 HA CYS A 41 6.507 -10.864 -15.905 1.00 1.13 H new ATOM 0 HB2 CYS A 41 9.021 -9.243 -16.356 1.00 32.15 H new ATOM 0 HB3 CYS A 41 8.647 -10.610 -17.388 1.00 32.15 H new ATOM 0 HG CYS A 41 7.081 -7.604 -17.232 1.00 3.42 H new ATOM 484 N ALA A 42 9.381 -11.522 -14.418 1.00 22.04 N ATOM 485 CA ALA A 42 10.228 -12.605 -13.933 1.00 34.03 C ATOM 486 C ALA A 42 9.476 -13.489 -12.943 1.00 54.41 C ATOM 487 O ALA A 42 9.595 -14.713 -12.975 1.00 1.01 O ATOM 488 CB ALA A 42 11.487 -12.043 -13.290 1.00 62.21 C ATOM 0 H ALA A 42 9.700 -10.589 -14.159 1.00 22.04 H new ATOM 0 HA ALA A 42 10.513 -13.220 -14.787 1.00 34.03 H new ATOM 0 HB1 ALA A 42 12.110 -12.863 -12.932 1.00 62.21 H new ATOM 0 HB2 ALA A 42 12.042 -11.460 -14.025 1.00 62.21 H new ATOM 0 HB3 ALA A 42 11.213 -11.403 -12.451 1.00 62.21 H new ATOM 494 N MET A 43 8.702 -12.859 -12.065 1.00 34.41 N ATOM 495 CA MET A 43 7.930 -13.590 -11.066 1.00 52.21 C ATOM 496 C MET A 43 6.960 -14.561 -11.732 1.00 12.31 C ATOM 497 O MET A 43 6.622 -15.602 -11.168 1.00 43.11 O ATOM 498 CB MET A 43 7.161 -12.615 -10.172 1.00 32.31 C ATOM 499 CG MET A 43 7.177 -12.998 -8.701 1.00 31.30 C ATOM 500 SD MET A 43 6.132 -14.424 -8.343 1.00 3.31 S ATOM 501 CE MET A 43 6.978 -15.115 -6.923 1.00 71.04 C ATOM 0 H MET A 43 8.593 -11.846 -12.025 1.00 34.41 H new ATOM 0 HA MET A 43 8.626 -14.163 -10.453 1.00 52.21 H new ATOM 0 HB2 MET A 43 7.588 -11.618 -10.284 1.00 32.31 H new ATOM 0 HB3 MET A 43 6.127 -12.560 -10.513 1.00 32.31 H new ATOM 0 HG2 MET A 43 8.201 -13.217 -8.398 1.00 31.30 H new ATOM 0 HG3 MET A 43 6.843 -12.149 -8.105 1.00 31.30 H new ATOM 0 HE1 MET A 43 6.450 -16.006 -6.583 1.00 71.04 H new ATOM 0 HE2 MET A 43 7.998 -15.381 -7.201 1.00 71.04 H new ATOM 0 HE3 MET A 43 7.001 -14.379 -6.119 1.00 71.04 H new ATOM 511 N LYS A 44 6.514 -14.213 -12.934 1.00 62.45 N ATOM 512 CA LYS A 44 5.584 -15.054 -13.678 1.00 74.03 C ATOM 513 C LYS A 44 6.316 -15.870 -14.739 1.00 12.20 C ATOM 514 O LYS A 44 5.735 -16.756 -15.366 1.00 23.42 O ATOM 515 CB LYS A 44 4.502 -14.194 -14.337 1.00 65.33 C ATOM 516 CG LYS A 44 3.877 -13.178 -13.398 1.00 2.23 C ATOM 517 CD LYS A 44 2.960 -13.844 -12.386 1.00 1.02 C ATOM 518 CE LYS A 44 3.733 -14.331 -11.169 1.00 54.14 C ATOM 519 NZ LYS A 44 2.970 -14.122 -9.908 1.00 10.54 N ATOM 0 H LYS A 44 6.782 -13.354 -13.414 1.00 62.45 H new ATOM 0 HA LYS A 44 5.115 -15.743 -12.975 1.00 74.03 H new ATOM 0 HB2 LYS A 44 4.935 -13.670 -15.189 1.00 65.33 H new ATOM 0 HB3 LYS A 44 3.720 -14.845 -14.727 1.00 65.33 H new ATOM 0 HG2 LYS A 44 4.663 -12.633 -12.875 1.00 2.23 H new ATOM 0 HG3 LYS A 44 3.312 -12.446 -13.976 1.00 2.23 H new ATOM 0 HD2 LYS A 44 2.191 -13.139 -12.071 1.00 1.02 H new ATOM 0 HD3 LYS A 44 2.449 -14.685 -12.855 1.00 1.02 H new ATOM 0 HE2 LYS A 44 3.961 -15.391 -11.284 1.00 54.14 H new ATOM 0 HE3 LYS A 44 4.685 -13.804 -11.109 1.00 54.14 H new ATOM 0 HZ1 LYS A 44 3.622 -14.156 -9.098 1.00 10.54 H new ATOM 0 HZ2 LYS A 44 2.501 -13.194 -9.936 1.00 10.54 H new ATOM 0 HZ3 LYS A 44 2.254 -14.869 -9.808 1.00 10.54 H new ATOM 533 N LYS A 45 7.594 -15.566 -14.934 1.00 44.35 N ATOM 534 CA LYS A 45 8.408 -16.272 -15.917 1.00 73.11 C ATOM 535 C LYS A 45 7.871 -16.051 -17.328 1.00 31.24 C ATOM 536 O LYS A 45 7.574 -17.006 -18.047 1.00 23.43 O ATOM 537 CB LYS A 45 8.440 -17.769 -15.601 1.00 25.10 C ATOM 538 CG LYS A 45 9.707 -18.463 -16.072 1.00 1.40 C ATOM 539 CD LYS A 45 10.795 -18.416 -15.013 1.00 3.24 C ATOM 540 CE LYS A 45 11.852 -17.373 -15.344 1.00 54.14 C ATOM 541 NZ LYS A 45 12.584 -17.704 -16.598 1.00 72.30 N ATOM 0 H LYS A 45 8.089 -14.835 -14.424 1.00 44.35 H new ATOM 0 HA LYS A 45 9.421 -15.874 -15.867 1.00 73.11 H new ATOM 0 HB2 LYS A 45 8.339 -17.907 -14.524 1.00 25.10 H new ATOM 0 HB3 LYS A 45 7.579 -18.249 -16.066 1.00 25.10 H new ATOM 0 HG2 LYS A 45 9.484 -19.501 -16.320 1.00 1.40 H new ATOM 0 HG3 LYS A 45 10.066 -17.987 -16.985 1.00 1.40 H new ATOM 0 HD2 LYS A 45 10.351 -18.190 -14.044 1.00 3.24 H new ATOM 0 HD3 LYS A 45 11.264 -19.396 -14.928 1.00 3.24 H new ATOM 0 HE2 LYS A 45 11.379 -16.396 -15.447 1.00 54.14 H new ATOM 0 HE3 LYS A 45 12.560 -17.299 -14.519 1.00 54.14 H new ATOM 0 HZ1 LYS A 45 13.542 -17.302 -16.557 1.00 72.30 H new ATOM 0 HZ2 LYS A 45 12.646 -18.737 -16.701 1.00 72.30 H new ATOM 0 HZ3 LYS A 45 12.075 -17.305 -17.413 1.00 72.30 H new ATOM 555 N LEU A 46 7.750 -14.787 -17.718 1.00 74.43 N ATOM 556 CA LEU A 46 7.250 -14.441 -19.044 1.00 72.14 C ATOM 557 C LEU A 46 8.240 -13.547 -19.783 1.00 44.22 C ATOM 558 O LEU A 46 9.111 -12.915 -19.184 1.00 32.21 O ATOM 559 CB LEU A 46 5.896 -13.738 -18.933 1.00 74.42 C ATOM 560 CG LEU A 46 4.663 -14.639 -19.019 1.00 60.22 C ATOM 561 CD1 LEU A 46 4.138 -14.960 -17.628 1.00 51.43 C ATOM 562 CD2 LEU A 46 3.580 -13.982 -19.862 1.00 12.21 C ATOM 0 H LEU A 46 7.991 -13.985 -17.135 1.00 74.43 H new ATOM 0 HA LEU A 46 7.128 -15.364 -19.611 1.00 72.14 H new ATOM 0 HB2 LEU A 46 5.864 -13.202 -17.984 1.00 74.42 H new ATOM 0 HB3 LEU A 46 5.831 -12.991 -19.724 1.00 74.42 H new ATOM 0 HG LEU A 46 4.952 -15.573 -19.500 1.00 60.22 H new ATOM 0 HD11 LEU A 46 3.261 -15.602 -17.709 1.00 51.43 H new ATOM 0 HD12 LEU A 46 4.911 -15.473 -17.057 1.00 51.43 H new ATOM 0 HD13 LEU A 46 3.865 -14.035 -17.120 1.00 51.43 H new ATOM 0 HD21 LEU A 46 2.710 -14.637 -19.912 1.00 12.21 H new ATOM 0 HD22 LEU A 46 3.293 -13.032 -19.410 1.00 12.21 H new ATOM 0 HD23 LEU A 46 3.960 -13.805 -20.868 1.00 12.21 H new ATOM 574 N PRO A 47 8.105 -13.489 -21.116 1.00 43.14 N ATOM 575 CA PRO A 47 8.978 -12.673 -21.966 1.00 12.33 C ATOM 576 C PRO A 47 8.737 -11.179 -21.778 1.00 53.32 C ATOM 577 O PRO A 47 7.688 -10.645 -22.139 1.00 15.35 O ATOM 578 CB PRO A 47 8.595 -13.102 -23.384 1.00 72.22 C ATOM 579 CG PRO A 47 7.195 -13.599 -23.265 1.00 3.33 C ATOM 580 CD PRO A 47 7.090 -14.215 -21.897 1.00 70.33 C ATOM 0 HA PRO A 47 10.032 -12.823 -21.731 1.00 12.33 H new ATOM 0 HB2 PRO A 47 8.661 -12.267 -24.081 1.00 72.22 H new ATOM 0 HB3 PRO A 47 9.261 -13.881 -23.755 1.00 72.22 H new ATOM 0 HG2 PRO A 47 6.480 -12.784 -23.382 1.00 3.33 H new ATOM 0 HG3 PRO A 47 6.973 -14.332 -24.041 1.00 3.33 H new ATOM 0 HD2 PRO A 47 6.093 -14.089 -21.475 1.00 70.33 H new ATOM 0 HD3 PRO A 47 7.293 -15.286 -21.922 1.00 70.33 H new ATOM 588 N PRO A 48 9.730 -10.486 -21.201 1.00 70.04 N ATOM 589 CA PRO A 48 9.649 -9.043 -20.954 1.00 62.41 C ATOM 590 C PRO A 48 9.699 -8.231 -22.243 1.00 42.52 C ATOM 591 O PRO A 48 9.147 -7.133 -22.318 1.00 1.32 O ATOM 592 CB PRO A 48 10.885 -8.761 -20.096 1.00 13.04 C ATOM 593 CG PRO A 48 11.845 -9.845 -20.446 1.00 11.15 C ATOM 594 CD PRO A 48 11.009 -11.058 -20.747 1.00 14.33 C ATOM 0 HA PRO A 48 8.709 -8.763 -20.478 1.00 62.41 H new ATOM 0 HB2 PRO A 48 11.302 -7.778 -20.314 1.00 13.04 H new ATOM 0 HB3 PRO A 48 10.641 -8.776 -19.034 1.00 13.04 H new ATOM 0 HG2 PRO A 48 12.452 -9.566 -21.307 1.00 11.15 H new ATOM 0 HG3 PRO A 48 12.532 -10.039 -19.622 1.00 11.15 H new ATOM 0 HD2 PRO A 48 11.466 -11.681 -21.516 1.00 14.33 H new ATOM 0 HD3 PRO A 48 10.878 -11.685 -19.865 1.00 14.33 H new ATOM 602 N ASP A 49 10.363 -8.776 -23.256 1.00 25.42 N ATOM 603 CA ASP A 49 10.484 -8.102 -24.543 1.00 60.13 C ATOM 604 C ASP A 49 9.242 -8.335 -25.397 1.00 73.43 C ATOM 605 O ASP A 49 8.888 -7.508 -26.238 1.00 12.32 O ATOM 606 CB ASP A 49 11.728 -8.593 -25.286 1.00 11.04 C ATOM 607 CG ASP A 49 12.944 -7.730 -25.012 1.00 53.53 C ATOM 608 OD1 ASP A 49 13.092 -6.686 -25.681 1.00 40.32 O ATOM 609 OD2 ASP A 49 13.747 -8.098 -24.130 1.00 3.01 O ATOM 0 H ASP A 49 10.826 -9.684 -23.211 1.00 25.42 H new ATOM 0 HA ASP A 49 10.580 -7.032 -24.357 1.00 60.13 H new ATOM 0 HB2 ASP A 49 11.942 -9.621 -24.992 1.00 11.04 H new ATOM 0 HB3 ASP A 49 11.527 -8.603 -26.357 1.00 11.04 H new ATOM 614 N THR A 50 8.583 -9.469 -25.177 1.00 53.13 N ATOM 615 CA THR A 50 7.381 -9.813 -25.928 1.00 5.43 C ATOM 616 C THR A 50 6.124 -9.397 -25.173 1.00 30.54 C ATOM 617 O THR A 50 5.045 -9.951 -25.389 1.00 25.32 O ATOM 618 CB THR A 50 7.315 -11.323 -26.221 1.00 23.31 C ATOM 619 OG1 THR A 50 8.635 -11.842 -26.419 1.00 22.33 O ATOM 620 CG2 THR A 50 6.467 -11.599 -27.453 1.00 52.31 C ATOM 0 H THR A 50 8.861 -10.165 -24.485 1.00 53.13 H new ATOM 0 HA THR A 50 7.431 -9.270 -26.872 1.00 5.43 H new ATOM 0 HB THR A 50 6.855 -11.817 -25.365 1.00 23.31 H new ATOM 0 HG1 THR A 50 8.584 -12.803 -26.603 1.00 22.33 H new ATOM 0 HG21 THR A 50 6.435 -12.672 -27.640 1.00 52.31 H new ATOM 0 HG22 THR A 50 5.455 -11.229 -27.288 1.00 52.31 H new ATOM 0 HG23 THR A 50 6.902 -11.093 -28.315 1.00 52.31 H new ATOM 628 N THR A 51 6.268 -8.418 -24.285 1.00 62.02 N ATOM 629 CA THR A 51 5.144 -7.929 -23.497 1.00 51.25 C ATOM 630 C THR A 51 5.209 -6.415 -23.327 1.00 23.41 C ATOM 631 O THR A 51 6.292 -5.840 -23.220 1.00 1.42 O ATOM 632 CB THR A 51 5.103 -8.589 -22.107 1.00 34.54 C ATOM 633 OG1 THR A 51 3.925 -8.178 -21.404 1.00 32.34 O ATOM 634 CG2 THR A 51 6.337 -8.223 -21.296 1.00 51.35 C ATOM 0 H THR A 51 7.153 -7.948 -24.094 1.00 62.02 H new ATOM 0 HA THR A 51 4.238 -8.192 -24.042 1.00 51.25 H new ATOM 0 HB THR A 51 5.086 -9.670 -22.244 1.00 34.54 H new ATOM 0 HG1 THR A 51 3.200 -8.021 -22.044 1.00 32.34 H new ATOM 0 HG21 THR A 51 6.285 -8.701 -20.318 1.00 51.35 H new ATOM 0 HG22 THR A 51 7.230 -8.564 -21.819 1.00 51.35 H new ATOM 0 HG23 THR A 51 6.381 -7.141 -21.169 1.00 51.35 H new ATOM 642 N ARG A 52 4.044 -5.777 -23.302 1.00 2.52 N ATOM 643 CA ARG A 52 3.970 -4.329 -23.145 1.00 32.05 C ATOM 644 C ARG A 52 3.201 -3.958 -21.879 1.00 65.43 C ATOM 645 O ARG A 52 2.513 -4.793 -21.291 1.00 23.51 O ATOM 646 CB ARG A 52 3.299 -3.696 -24.365 1.00 44.21 C ATOM 647 CG ARG A 52 4.155 -2.645 -25.054 1.00 24.34 C ATOM 648 CD ARG A 52 5.152 -3.279 -26.011 1.00 60.24 C ATOM 649 NE ARG A 52 6.047 -2.289 -26.604 1.00 71.05 N ATOM 650 CZ ARG A 52 5.714 -1.522 -27.637 1.00 34.05 C ATOM 651 NH1 ARG A 52 4.512 -1.630 -28.187 1.00 21.44 N ATOM 652 NH2 ARG A 52 6.583 -0.644 -28.120 1.00 51.12 N ATOM 0 H ARG A 52 3.139 -6.239 -23.388 1.00 2.52 H new ATOM 0 HA ARG A 52 4.987 -3.946 -23.058 1.00 32.05 H new ATOM 0 HB2 ARG A 52 3.054 -4.480 -25.082 1.00 44.21 H new ATOM 0 HB3 ARG A 52 2.358 -3.241 -24.056 1.00 44.21 H new ATOM 0 HG2 ARG A 52 3.514 -1.953 -25.600 1.00 24.34 H new ATOM 0 HG3 ARG A 52 4.689 -2.061 -24.305 1.00 24.34 H new ATOM 0 HD2 ARG A 52 5.740 -4.027 -25.479 1.00 60.24 H new ATOM 0 HD3 ARG A 52 4.614 -3.801 -26.802 1.00 60.24 H new ATOM 0 HE ARG A 52 6.979 -2.180 -26.203 1.00 71.05 H new ATOM 0 HH11 ARG A 52 3.841 -2.303 -27.817 1.00 21.44 H new ATOM 0 HH12 ARG A 52 4.259 -1.040 -28.980 1.00 21.44 H new ATOM 0 HH21 ARG A 52 7.508 -0.557 -27.699 1.00 51.12 H new ATOM 0 HH22 ARG A 52 6.326 -0.056 -28.913 1.00 51.12 H new ATOM 666 N LEU A 53 3.324 -2.702 -21.466 1.00 11.10 N ATOM 667 CA LEU A 53 2.641 -2.220 -20.270 1.00 45.10 C ATOM 668 C LEU A 53 2.055 -0.831 -20.500 1.00 53.04 C ATOM 669 O LEU A 53 2.743 0.077 -20.969 1.00 21.54 O ATOM 670 CB LEU A 53 3.609 -2.187 -19.085 1.00 75.53 C ATOM 671 CG LEU A 53 3.186 -1.322 -17.898 1.00 3.42 C ATOM 672 CD1 LEU A 53 1.912 -1.863 -17.269 1.00 53.31 C ATOM 673 CD2 LEU A 53 4.303 -1.250 -16.866 1.00 50.45 C ATOM 0 H LEU A 53 3.890 -1.999 -21.941 1.00 11.10 H new ATOM 0 HA LEU A 53 1.824 -2.906 -20.046 1.00 45.10 H new ATOM 0 HB2 LEU A 53 3.754 -3.208 -18.732 1.00 75.53 H new ATOM 0 HB3 LEU A 53 4.576 -1.832 -19.441 1.00 75.53 H new ATOM 0 HG LEU A 53 2.987 -0.314 -18.261 1.00 3.42 H new ATOM 0 HD11 LEU A 53 1.627 -1.234 -16.426 1.00 53.31 H new ATOM 0 HD12 LEU A 53 1.112 -1.862 -18.009 1.00 53.31 H new ATOM 0 HD13 LEU A 53 2.082 -2.882 -16.920 1.00 53.31 H new ATOM 0 HD21 LEU A 53 3.985 -0.630 -16.028 1.00 50.45 H new ATOM 0 HD22 LEU A 53 4.533 -2.254 -16.508 1.00 50.45 H new ATOM 0 HD23 LEU A 53 5.192 -0.815 -17.322 1.00 50.45 H new ATOM 685 N THR A 54 0.778 -0.671 -20.166 1.00 51.43 N ATOM 686 CA THR A 54 0.098 0.608 -20.335 1.00 63.54 C ATOM 687 C THR A 54 -0.574 1.049 -19.040 1.00 63.42 C ATOM 688 O THR A 54 -1.207 0.246 -18.353 1.00 43.34 O ATOM 689 CB THR A 54 -0.961 0.537 -21.452 1.00 4.32 C ATOM 690 OG1 THR A 54 -1.477 -0.794 -21.554 1.00 35.22 O ATOM 691 CG2 THR A 54 -0.368 0.960 -22.787 1.00 42.34 C ATOM 0 H THR A 54 0.194 -1.411 -19.777 1.00 51.43 H new ATOM 0 HA THR A 54 0.859 1.337 -20.612 1.00 63.54 H new ATOM 0 HB THR A 54 -1.771 1.221 -21.199 1.00 4.32 H new ATOM 0 HG1 THR A 54 -2.151 -0.830 -22.265 1.00 35.22 H new ATOM 0 HG21 THR A 54 -1.134 0.902 -23.560 1.00 42.34 H new ATOM 0 HG22 THR A 54 -0.003 1.984 -22.715 1.00 42.34 H new ATOM 0 HG23 THR A 54 0.458 0.297 -23.044 1.00 42.34 H new ATOM 699 N TYR A 55 -0.433 2.328 -18.712 1.00 41.02 N ATOM 700 CA TYR A 55 -1.025 2.875 -17.498 1.00 14.35 C ATOM 701 C TYR A 55 -1.797 4.157 -17.797 1.00 44.13 C ATOM 702 O TYR A 55 -1.267 5.087 -18.406 1.00 71.02 O ATOM 703 CB TYR A 55 0.060 3.152 -16.455 1.00 73.35 C ATOM 704 CG TYR A 55 -0.422 3.978 -15.284 1.00 70.41 C ATOM 705 CD1 TYR A 55 -1.657 3.732 -14.697 1.00 73.21 C ATOM 706 CD2 TYR A 55 0.357 5.004 -14.765 1.00 22.01 C ATOM 707 CE1 TYR A 55 -2.102 4.484 -13.627 1.00 51.12 C ATOM 708 CE2 TYR A 55 -0.079 5.760 -13.694 1.00 42.34 C ATOM 709 CZ TYR A 55 -1.309 5.497 -13.129 1.00 70.21 C ATOM 710 OH TYR A 55 -1.748 6.249 -12.064 1.00 25.05 O ATOM 0 H TYR A 55 0.086 3.006 -19.270 1.00 41.02 H new ATOM 0 HA TYR A 55 -1.722 2.137 -17.101 1.00 14.35 H new ATOM 0 HB2 TYR A 55 0.447 2.203 -16.084 1.00 73.35 H new ATOM 0 HB3 TYR A 55 0.891 3.669 -16.936 1.00 73.35 H new ATOM 0 HD1 TYR A 55 -2.280 2.939 -15.084 1.00 73.21 H new ATOM 0 HD2 TYR A 55 1.320 5.214 -15.206 1.00 22.01 H new ATOM 0 HE1 TYR A 55 -3.065 4.280 -13.183 1.00 51.12 H new ATOM 0 HE2 TYR A 55 0.540 6.553 -13.301 1.00 42.34 H new ATOM 0 HH TYR A 55 -1.606 5.752 -11.232 1.00 25.05 H new ATOM 720 N LYS A 56 -3.052 4.199 -17.364 1.00 51.14 N ATOM 721 CA LYS A 56 -3.899 5.366 -17.583 1.00 43.01 C ATOM 722 C LYS A 56 -3.979 5.710 -19.067 1.00 64.20 C ATOM 723 O LYS A 56 -4.059 6.880 -19.440 1.00 25.53 O ATOM 724 CB LYS A 56 -3.362 6.565 -16.799 1.00 5.50 C ATOM 725 CG LYS A 56 -4.436 7.331 -16.047 1.00 54.42 C ATOM 726 CD LYS A 56 -5.392 8.030 -16.999 1.00 54.24 C ATOM 727 CE LYS A 56 -4.761 9.271 -17.611 1.00 54.45 C ATOM 728 NZ LYS A 56 -5.730 10.399 -17.703 1.00 34.51 N ATOM 0 H LYS A 56 -3.506 3.438 -16.859 1.00 51.14 H new ATOM 0 HA LYS A 56 -4.902 5.128 -17.229 1.00 43.01 H new ATOM 0 HB2 LYS A 56 -2.611 6.217 -16.089 1.00 5.50 H new ATOM 0 HB3 LYS A 56 -2.859 7.243 -17.488 1.00 5.50 H new ATOM 0 HG2 LYS A 56 -4.993 6.646 -15.408 1.00 54.42 H new ATOM 0 HG3 LYS A 56 -3.969 8.067 -15.393 1.00 54.42 H new ATOM 0 HD2 LYS A 56 -5.686 7.342 -17.791 1.00 54.24 H new ATOM 0 HD3 LYS A 56 -6.301 8.308 -16.465 1.00 54.24 H new ATOM 0 HE2 LYS A 56 -3.904 9.576 -17.010 1.00 54.45 H new ATOM 0 HE3 LYS A 56 -4.384 9.034 -18.606 1.00 54.45 H new ATOM 0 HZ1 LYS A 56 -5.261 11.226 -18.125 1.00 34.51 H new ATOM 0 HZ2 LYS A 56 -6.536 10.117 -18.297 1.00 34.51 H new ATOM 0 HZ3 LYS A 56 -6.070 10.643 -16.751 1.00 34.51 H new ATOM 742 N GLY A 57 -3.958 4.682 -19.910 1.00 62.12 N ATOM 743 CA GLY A 57 -4.030 4.897 -21.344 1.00 31.34 C ATOM 744 C GLY A 57 -2.758 5.501 -21.904 1.00 62.53 C ATOM 745 O GLY A 57 -2.726 5.941 -23.053 1.00 63.14 O ATOM 0 H GLY A 57 -3.892 3.705 -19.626 1.00 62.12 H new ATOM 0 HA2 GLY A 57 -4.227 3.947 -21.841 1.00 31.34 H new ATOM 0 HA3 GLY A 57 -4.870 5.554 -21.568 1.00 31.34 H new ATOM 749 N ARG A 58 -1.707 5.523 -21.091 1.00 21.11 N ATOM 750 CA ARG A 58 -0.427 6.080 -21.512 1.00 10.24 C ATOM 751 C ARG A 58 0.697 5.066 -21.319 1.00 51.22 C ATOM 752 O ARG A 58 0.615 4.190 -20.459 1.00 61.23 O ATOM 753 CB ARG A 58 -0.118 7.355 -20.724 1.00 54.15 C ATOM 754 CG ARG A 58 0.347 8.511 -21.595 1.00 75.13 C ATOM 755 CD ARG A 58 -0.738 8.947 -22.568 1.00 12.13 C ATOM 756 NE ARG A 58 -0.459 10.258 -23.147 1.00 10.52 N ATOM 757 CZ ARG A 58 -1.339 10.947 -23.866 1.00 22.24 C ATOM 758 NH1 ARG A 58 -2.547 10.451 -24.092 1.00 55.12 N ATOM 759 NH2 ARG A 58 -1.010 12.134 -24.359 1.00 74.01 N ATOM 0 H ARG A 58 -1.717 5.162 -20.137 1.00 21.11 H new ATOM 0 HA ARG A 58 -0.496 6.323 -22.572 1.00 10.24 H new ATOM 0 HB2 ARG A 58 -1.010 7.659 -20.177 1.00 54.15 H new ATOM 0 HB3 ARG A 58 0.651 7.137 -19.983 1.00 54.15 H new ATOM 0 HG2 ARG A 58 0.630 9.353 -20.963 1.00 75.13 H new ATOM 0 HG3 ARG A 58 1.237 8.215 -22.150 1.00 75.13 H new ATOM 0 HD2 ARG A 58 -0.827 8.210 -23.366 1.00 12.13 H new ATOM 0 HD3 ARG A 58 -1.698 8.975 -22.052 1.00 12.13 H new ATOM 0 HE ARG A 58 0.462 10.668 -22.991 1.00 10.52 H new ATOM 0 HH11 ARG A 58 -2.803 9.539 -23.714 1.00 55.12 H new ATOM 0 HH12 ARG A 58 -3.221 10.981 -24.644 1.00 55.12 H new ATOM 0 HH21 ARG A 58 -0.081 12.518 -24.186 1.00 74.01 H new ATOM 0 HH22 ARG A 58 -1.686 12.662 -24.911 1.00 74.01 H new ATOM 773 N ALA A 59 1.745 5.192 -22.127 1.00 1.35 N ATOM 774 CA ALA A 59 2.886 4.288 -22.044 1.00 53.53 C ATOM 775 C ALA A 59 4.057 4.947 -21.323 1.00 71.20 C ATOM 776 O ALA A 59 4.584 5.965 -21.774 1.00 32.14 O ATOM 777 CB ALA A 59 3.305 3.840 -23.436 1.00 43.24 C ATOM 0 H ALA A 59 1.827 5.911 -22.846 1.00 1.35 H new ATOM 0 HA ALA A 59 2.585 3.413 -21.468 1.00 53.53 H new ATOM 0 HB1 ALA A 59 4.158 3.165 -23.360 1.00 43.24 H new ATOM 0 HB2 ALA A 59 2.475 3.323 -23.917 1.00 43.24 H new ATOM 0 HB3 ALA A 59 3.583 4.711 -24.030 1.00 43.24 H new ATOM 783 N LEU A 60 4.460 4.360 -20.201 1.00 54.51 N ATOM 784 CA LEU A 60 5.569 4.891 -19.416 1.00 62.23 C ATOM 785 C LEU A 60 6.746 3.920 -19.412 1.00 40.52 C ATOM 786 O LEU A 60 6.569 2.712 -19.569 1.00 43.23 O ATOM 787 CB LEU A 60 5.118 5.169 -17.981 1.00 73.15 C ATOM 788 CG LEU A 60 3.920 6.107 -17.824 1.00 62.34 C ATOM 789 CD1 LEU A 60 2.617 5.330 -17.926 1.00 72.24 C ATOM 790 CD2 LEU A 60 3.997 6.852 -16.500 1.00 54.20 C ATOM 0 H LEU A 60 4.036 3.517 -19.815 1.00 54.51 H new ATOM 0 HA LEU A 60 5.893 5.825 -19.875 1.00 62.23 H new ATOM 0 HB2 LEU A 60 4.874 4.218 -17.507 1.00 73.15 H new ATOM 0 HB3 LEU A 60 5.960 5.592 -17.432 1.00 73.15 H new ATOM 0 HG LEU A 60 3.947 6.838 -18.632 1.00 62.34 H new ATOM 0 HD11 LEU A 60 1.776 6.014 -17.812 1.00 72.24 H new ATOM 0 HD12 LEU A 60 2.559 4.843 -18.899 1.00 72.24 H new ATOM 0 HD13 LEU A 60 2.581 4.576 -17.140 1.00 72.24 H new ATOM 0 HD21 LEU A 60 3.137 7.515 -16.405 1.00 54.20 H new ATOM 0 HD22 LEU A 60 3.995 6.135 -15.679 1.00 54.20 H new ATOM 0 HD23 LEU A 60 4.914 7.440 -16.466 1.00 54.20 H new ATOM 802 N LYS A 61 7.948 4.457 -19.229 1.00 72.13 N ATOM 803 CA LYS A 61 9.155 3.639 -19.201 1.00 12.54 C ATOM 804 C LYS A 61 10.325 4.417 -18.606 1.00 54.10 C ATOM 805 O LYS A 61 10.784 4.119 -17.503 1.00 61.25 O ATOM 806 CB LYS A 61 9.508 3.166 -20.612 1.00 64.13 C ATOM 807 CG LYS A 61 8.907 4.025 -21.711 1.00 11.33 C ATOM 808 CD LYS A 61 9.616 3.811 -23.038 1.00 13.15 C ATOM 809 CE LYS A 61 9.048 2.615 -23.786 1.00 54.33 C ATOM 810 NZ LYS A 61 10.096 1.900 -24.566 1.00 14.02 N ATOM 0 H LYS A 61 8.112 5.455 -19.098 1.00 72.13 H new ATOM 0 HA LYS A 61 8.961 2.770 -18.572 1.00 12.54 H new ATOM 0 HB2 LYS A 61 10.592 3.157 -20.722 1.00 64.13 H new ATOM 0 HB3 LYS A 61 9.166 2.139 -20.738 1.00 64.13 H new ATOM 0 HG2 LYS A 61 7.849 3.789 -21.821 1.00 11.33 H new ATOM 0 HG3 LYS A 61 8.971 5.076 -21.429 1.00 11.33 H new ATOM 0 HD2 LYS A 61 9.518 4.706 -23.653 1.00 13.15 H new ATOM 0 HD3 LYS A 61 10.681 3.660 -22.863 1.00 13.15 H new ATOM 0 HE2 LYS A 61 8.591 1.926 -23.076 1.00 54.33 H new ATOM 0 HE3 LYS A 61 8.259 2.949 -24.459 1.00 54.33 H new ATOM 0 HZ1 LYS A 61 9.669 1.091 -25.061 1.00 14.02 H new ATOM 0 HZ2 LYS A 61 10.515 2.550 -25.261 1.00 14.02 H new ATOM 0 HZ3 LYS A 61 10.837 1.559 -23.921 1.00 14.02 H new ATOM 824 N ASP A 62 10.801 5.415 -19.342 1.00 54.21 N ATOM 825 CA ASP A 62 11.915 6.238 -18.886 1.00 63.50 C ATOM 826 C ASP A 62 11.462 7.220 -17.810 1.00 73.35 C ATOM 827 O ASP A 62 12.276 7.930 -17.220 1.00 15.45 O ATOM 828 CB ASP A 62 12.530 6.998 -20.062 1.00 24.01 C ATOM 829 CG ASP A 62 13.939 6.534 -20.378 1.00 54.13 C ATOM 830 OD1 ASP A 62 14.085 5.577 -21.168 1.00 2.25 O ATOM 831 OD2 ASP A 62 14.894 7.128 -19.837 1.00 42.53 O ATOM 0 H ASP A 62 10.433 5.674 -20.257 1.00 54.21 H new ATOM 0 HA ASP A 62 12.669 5.579 -18.455 1.00 63.50 H new ATOM 0 HB2 ASP A 62 11.902 6.868 -20.943 1.00 24.01 H new ATOM 0 HB3 ASP A 62 12.544 8.064 -19.835 1.00 24.01 H new ATOM 836 N THR A 63 10.156 7.255 -17.561 1.00 42.53 N ATOM 837 CA THR A 63 9.594 8.152 -16.559 1.00 73.41 C ATOM 838 C THR A 63 10.194 7.885 -15.184 1.00 24.32 C ATOM 839 O THR A 63 10.132 8.733 -14.295 1.00 21.04 O ATOM 840 CB THR A 63 8.062 8.009 -16.474 1.00 63.03 C ATOM 841 OG1 THR A 63 7.559 7.408 -17.673 1.00 0.13 O ATOM 842 CG2 THR A 63 7.403 9.364 -16.265 1.00 4.10 C ATOM 0 H THR A 63 9.469 6.673 -18.039 1.00 42.53 H new ATOM 0 HA THR A 63 9.841 9.167 -16.869 1.00 73.41 H new ATOM 0 HB THR A 63 7.825 7.372 -15.622 1.00 63.03 H new ATOM 0 HG1 THR A 63 6.650 7.731 -17.844 1.00 0.13 H new ATOM 0 HG21 THR A 63 6.322 9.238 -16.208 1.00 4.10 H new ATOM 0 HG22 THR A 63 7.766 9.806 -15.337 1.00 4.10 H new ATOM 0 HG23 THR A 63 7.648 10.021 -17.100 1.00 4.10 H new ATOM 850 N GLU A 64 10.776 6.701 -15.017 1.00 5.23 N ATOM 851 CA GLU A 64 11.388 6.324 -13.748 1.00 65.01 C ATOM 852 C GLU A 64 10.339 6.230 -12.644 1.00 50.43 C ATOM 853 O GLU A 64 9.861 5.144 -12.316 1.00 31.10 O ATOM 854 CB GLU A 64 12.468 7.335 -13.356 1.00 52.44 C ATOM 855 CG GLU A 64 13.882 6.853 -13.632 1.00 2.44 C ATOM 856 CD GLU A 64 14.802 7.033 -12.439 1.00 70.24 C ATOM 857 OE1 GLU A 64 14.628 8.023 -11.699 1.00 31.34 O ATOM 858 OE2 GLU A 64 15.696 6.182 -12.248 1.00 1.14 O ATOM 0 H GLU A 64 10.836 5.988 -15.743 1.00 5.23 H new ATOM 0 HA GLU A 64 11.847 5.343 -13.873 1.00 65.01 H new ATOM 0 HB2 GLU A 64 12.298 8.265 -13.899 1.00 52.44 H new ATOM 0 HB3 GLU A 64 12.372 7.563 -12.295 1.00 52.44 H new ATOM 0 HG2 GLU A 64 13.855 5.799 -13.910 1.00 2.44 H new ATOM 0 HG3 GLU A 64 14.288 7.397 -14.485 1.00 2.44 H new ATOM 865 N THR A 65 9.985 7.378 -12.074 1.00 32.34 N ATOM 866 CA THR A 65 8.994 7.426 -11.006 1.00 0.41 C ATOM 867 C THR A 65 7.618 7.793 -11.549 1.00 52.31 C ATOM 868 O THR A 65 7.496 8.314 -12.659 1.00 34.13 O ATOM 869 CB THR A 65 9.391 8.441 -9.917 1.00 51.31 C ATOM 870 OG1 THR A 65 9.184 9.776 -10.393 1.00 32.03 O ATOM 871 CG2 THR A 65 10.847 8.261 -9.514 1.00 53.13 C ATOM 0 H THR A 65 10.370 8.286 -12.334 1.00 32.34 H new ATOM 0 HA THR A 65 8.954 6.429 -10.567 1.00 0.41 H new ATOM 0 HB THR A 65 8.764 8.266 -9.042 1.00 51.31 H new ATOM 0 HG1 THR A 65 9.582 10.413 -9.764 1.00 32.03 H new ATOM 0 HG21 THR A 65 11.104 8.989 -8.744 1.00 53.13 H new ATOM 0 HG22 THR A 65 10.995 7.254 -9.125 1.00 53.13 H new ATOM 0 HG23 THR A 65 11.487 8.412 -10.384 1.00 53.13 H new ATOM 879 N LEU A 66 6.584 7.520 -10.761 1.00 71.32 N ATOM 880 CA LEU A 66 5.215 7.822 -11.163 1.00 55.12 C ATOM 881 C LEU A 66 4.508 8.659 -10.102 1.00 34.01 C ATOM 882 O LEU A 66 3.739 9.565 -10.423 1.00 24.10 O ATOM 883 CB LEU A 66 4.437 6.528 -11.410 1.00 50.10 C ATOM 884 CG LEU A 66 4.042 6.249 -12.861 1.00 31.45 C ATOM 885 CD1 LEU A 66 3.267 7.423 -13.438 1.00 62.24 C ATOM 886 CD2 LEU A 66 5.275 5.955 -13.702 1.00 43.11 C ATOM 0 H LEU A 66 6.668 7.090 -9.840 1.00 71.32 H new ATOM 0 HA LEU A 66 5.253 8.398 -12.088 1.00 55.12 H new ATOM 0 HB2 LEU A 66 5.038 5.692 -11.051 1.00 50.10 H new ATOM 0 HB3 LEU A 66 3.530 6.552 -10.806 1.00 50.10 H new ATOM 0 HG LEU A 66 3.397 5.371 -12.880 1.00 31.45 H new ATOM 0 HD11 LEU A 66 2.994 7.207 -14.471 1.00 62.24 H new ATOM 0 HD12 LEU A 66 2.363 7.586 -12.851 1.00 62.24 H new ATOM 0 HD13 LEU A 66 3.887 8.319 -13.406 1.00 62.24 H new ATOM 0 HD21 LEU A 66 4.975 5.759 -14.731 1.00 43.11 H new ATOM 0 HD22 LEU A 66 5.946 6.814 -13.677 1.00 43.11 H new ATOM 0 HD23 LEU A 66 5.789 5.081 -13.301 1.00 43.11 H new ATOM 898 N GLU A 67 4.775 8.350 -8.837 1.00 31.11 N ATOM 899 CA GLU A 67 4.165 9.075 -7.729 1.00 11.23 C ATOM 900 C GLU A 67 4.494 10.563 -7.806 1.00 13.33 C ATOM 901 O GLU A 67 3.729 11.404 -7.333 1.00 41.20 O ATOM 902 CB GLU A 67 4.643 8.504 -6.392 1.00 11.52 C ATOM 903 CG GLU A 67 4.115 9.260 -5.184 1.00 33.11 C ATOM 904 CD GLU A 67 4.668 8.729 -3.876 1.00 22.41 C ATOM 905 OE1 GLU A 67 5.484 7.784 -3.918 1.00 2.02 O ATOM 906 OE2 GLU A 67 4.286 9.257 -2.811 1.00 74.30 O ATOM 0 H GLU A 67 5.409 7.603 -8.554 1.00 31.11 H new ATOM 0 HA GLU A 67 3.084 8.955 -7.801 1.00 11.23 H new ATOM 0 HB2 GLU A 67 4.334 7.461 -6.321 1.00 11.52 H new ATOM 0 HB3 GLU A 67 5.733 8.516 -6.370 1.00 11.52 H new ATOM 0 HG2 GLU A 67 4.370 10.315 -5.280 1.00 33.11 H new ATOM 0 HG3 GLU A 67 3.027 9.196 -5.167 1.00 33.11 H new ATOM 913 N SER A 68 5.637 10.880 -8.404 1.00 44.43 N ATOM 914 CA SER A 68 6.071 12.266 -8.540 1.00 13.12 C ATOM 915 C SER A 68 5.110 13.052 -9.427 1.00 34.50 C ATOM 916 O SER A 68 5.129 14.283 -9.445 1.00 52.04 O ATOM 917 CB SER A 68 7.484 12.326 -9.122 1.00 3.03 C ATOM 918 OG SER A 68 8.020 13.635 -9.028 1.00 35.34 O ATOM 0 H SER A 68 6.280 10.196 -8.803 1.00 44.43 H new ATOM 0 HA SER A 68 6.075 12.718 -7.548 1.00 13.12 H new ATOM 0 HB2 SER A 68 8.129 11.627 -8.591 1.00 3.03 H new ATOM 0 HB3 SER A 68 7.464 12.012 -10.166 1.00 3.03 H new ATOM 0 HG SER A 68 7.314 14.291 -9.207 1.00 35.34 H new ATOM 924 N LEU A 69 4.270 12.331 -10.162 1.00 33.34 N ATOM 925 CA LEU A 69 3.300 12.958 -11.052 1.00 53.51 C ATOM 926 C LEU A 69 1.924 13.026 -10.398 1.00 35.23 C ATOM 927 O LEU A 69 1.036 13.736 -10.867 1.00 52.51 O ATOM 928 CB LEU A 69 3.213 12.186 -12.370 1.00 2.32 C ATOM 929 CG LEU A 69 4.239 12.565 -13.438 1.00 41.45 C ATOM 930 CD1 LEU A 69 5.650 12.476 -12.879 1.00 64.12 C ATOM 931 CD2 LEU A 69 4.090 11.672 -14.661 1.00 43.03 C ATOM 0 H LEU A 69 4.241 11.311 -10.159 1.00 33.34 H new ATOM 0 HA LEU A 69 3.636 13.975 -11.255 1.00 53.51 H new ATOM 0 HB2 LEU A 69 3.320 11.123 -12.153 1.00 2.32 H new ATOM 0 HB3 LEU A 69 2.216 12.328 -12.786 1.00 2.32 H new ATOM 0 HG LEU A 69 4.055 13.596 -13.741 1.00 41.45 H new ATOM 0 HD11 LEU A 69 6.366 12.749 -13.654 1.00 64.12 H new ATOM 0 HD12 LEU A 69 5.751 13.158 -12.035 1.00 64.12 H new ATOM 0 HD13 LEU A 69 5.846 11.457 -12.547 1.00 64.12 H new ATOM 0 HD21 LEU A 69 4.828 11.956 -15.411 1.00 43.03 H new ATOM 0 HD22 LEU A 69 4.246 10.632 -14.374 1.00 43.03 H new ATOM 0 HD23 LEU A 69 3.089 11.787 -15.076 1.00 43.03 H new ATOM 943 N GLY A 70 1.755 12.282 -9.309 1.00 35.23 N ATOM 944 CA GLY A 70 0.485 12.273 -8.606 1.00 72.01 C ATOM 945 C GLY A 70 -0.121 10.886 -8.520 1.00 24.00 C ATOM 946 O GLY A 70 -1.332 10.738 -8.360 1.00 13.22 O ATOM 0 H GLY A 70 2.475 11.685 -8.901 1.00 35.23 H new ATOM 0 HA2 GLY A 70 0.628 12.667 -7.600 1.00 72.01 H new ATOM 0 HA3 GLY A 70 -0.212 12.940 -9.113 1.00 72.01 H new ATOM 950 N VAL A 71 0.724 9.865 -8.628 1.00 42.42 N ATOM 951 CA VAL A 71 0.266 8.483 -8.562 1.00 74.03 C ATOM 952 C VAL A 71 0.315 7.955 -7.133 1.00 11.22 C ATOM 953 O VAL A 71 1.317 8.114 -6.436 1.00 73.20 O ATOM 954 CB VAL A 71 1.113 7.567 -9.466 1.00 34.05 C ATOM 955 CG1 VAL A 71 0.650 6.123 -9.346 1.00 73.00 C ATOM 956 CG2 VAL A 71 1.049 8.038 -10.911 1.00 20.04 C ATOM 0 H VAL A 71 1.730 9.970 -8.762 1.00 42.42 H new ATOM 0 HA VAL A 71 -0.766 8.475 -8.914 1.00 74.03 H new ATOM 0 HB VAL A 71 2.151 7.619 -9.137 1.00 34.05 H new ATOM 0 HG11 VAL A 71 1.260 5.491 -9.991 1.00 73.00 H new ATOM 0 HG12 VAL A 71 0.753 5.793 -8.312 1.00 73.00 H new ATOM 0 HG13 VAL A 71 -0.395 6.050 -9.648 1.00 73.00 H new ATOM 0 HG21 VAL A 71 1.653 7.380 -11.535 1.00 20.04 H new ATOM 0 HG22 VAL A 71 0.015 8.017 -11.255 1.00 20.04 H new ATOM 0 HG23 VAL A 71 1.433 9.056 -10.979 1.00 20.04 H new ATOM 966 N ALA A 72 -0.774 7.326 -6.702 1.00 42.23 N ATOM 967 CA ALA A 72 -0.854 6.772 -5.356 1.00 51.34 C ATOM 968 C ALA A 72 -0.714 5.254 -5.378 1.00 54.04 C ATOM 969 O ALA A 72 -0.655 4.642 -6.445 1.00 73.10 O ATOM 970 CB ALA A 72 -2.165 7.174 -4.698 1.00 15.13 C ATOM 0 H ALA A 72 -1.613 7.188 -7.266 1.00 42.23 H new ATOM 0 HA ALA A 72 -0.028 7.178 -4.772 1.00 51.34 H new ATOM 0 HB1 ALA A 72 -2.212 6.754 -3.693 1.00 15.13 H new ATOM 0 HB2 ALA A 72 -2.225 8.261 -4.640 1.00 15.13 H new ATOM 0 HB3 ALA A 72 -2.999 6.796 -5.289 1.00 15.13 H new ATOM 976 N ASP A 73 -0.661 4.652 -4.195 1.00 54.43 N ATOM 977 CA ASP A 73 -0.529 3.205 -4.079 1.00 22.21 C ATOM 978 C ASP A 73 -1.874 2.517 -4.293 1.00 24.05 C ATOM 979 O ASP A 73 -2.896 2.953 -3.765 1.00 51.14 O ATOM 980 CB ASP A 73 0.037 2.832 -2.708 1.00 33.34 C ATOM 981 CG ASP A 73 -0.732 3.475 -1.570 1.00 23.21 C ATOM 982 OD1 ASP A 73 -0.523 4.680 -1.319 1.00 44.52 O ATOM 983 OD2 ASP A 73 -1.543 2.773 -0.931 1.00 23.21 O ATOM 0 H ASP A 73 -0.707 5.144 -3.303 1.00 54.43 H new ATOM 0 HA ASP A 73 0.159 2.864 -4.853 1.00 22.21 H new ATOM 0 HB2 ASP A 73 0.015 1.748 -2.591 1.00 33.34 H new ATOM 0 HB3 ASP A 73 1.082 3.137 -2.654 1.00 33.34 H new ATOM 988 N GLY A 74 -1.864 1.439 -5.071 1.00 34.11 N ATOM 989 CA GLY A 74 -3.089 0.709 -5.342 1.00 11.04 C ATOM 990 C GLY A 74 -3.567 0.888 -6.769 1.00 31.20 C ATOM 991 O GLY A 74 -4.724 0.607 -7.083 1.00 62.33 O ATOM 0 H GLY A 74 -1.030 1.058 -5.518 1.00 34.11 H new ATOM 0 HA2 GLY A 74 -2.927 -0.351 -5.147 1.00 11.04 H new ATOM 0 HA3 GLY A 74 -3.867 1.044 -4.657 1.00 11.04 H new ATOM 995 N ASP A 75 -2.676 1.358 -7.635 1.00 31.21 N ATOM 996 CA ASP A 75 -3.013 1.575 -9.037 1.00 72.51 C ATOM 997 C ASP A 75 -3.187 0.246 -9.766 1.00 22.30 C ATOM 998 O ASP A 75 -3.025 -0.824 -9.177 1.00 40.45 O ATOM 999 CB ASP A 75 -1.929 2.408 -9.722 1.00 23.04 C ATOM 1000 CG ASP A 75 -2.455 3.735 -10.233 1.00 24.30 C ATOM 1001 OD1 ASP A 75 -3.461 3.728 -10.972 1.00 43.43 O ATOM 1002 OD2 ASP A 75 -1.859 4.779 -9.895 1.00 14.55 O ATOM 0 H ASP A 75 -1.715 1.596 -7.391 1.00 31.21 H new ATOM 0 HA ASP A 75 -3.957 2.118 -9.078 1.00 72.51 H new ATOM 0 HB2 ASP A 75 -1.116 2.589 -9.019 1.00 23.04 H new ATOM 0 HB3 ASP A 75 -1.511 1.841 -10.554 1.00 23.04 H new ATOM 1007 N LYS A 76 -3.518 0.320 -11.050 1.00 53.35 N ATOM 1008 CA LYS A 76 -3.714 -0.876 -11.861 1.00 53.33 C ATOM 1009 C LYS A 76 -3.276 -0.634 -13.302 1.00 65.10 C ATOM 1010 O LYS A 76 -3.681 0.345 -13.929 1.00 71.32 O ATOM 1011 CB LYS A 76 -5.183 -1.304 -11.829 1.00 52.42 C ATOM 1012 CG LYS A 76 -5.530 -2.200 -10.653 1.00 12.31 C ATOM 1013 CD LYS A 76 -7.033 -2.370 -10.506 1.00 21.01 C ATOM 1014 CE LYS A 76 -7.548 -3.526 -11.349 1.00 61.23 C ATOM 1015 NZ LYS A 76 -8.555 -4.342 -10.616 1.00 62.40 N ATOM 0 H LYS A 76 -3.656 1.197 -11.552 1.00 53.35 H new ATOM 0 HA LYS A 76 -3.100 -1.673 -11.442 1.00 53.33 H new ATOM 0 HB2 LYS A 76 -5.811 -0.414 -11.795 1.00 52.42 H new ATOM 0 HB3 LYS A 76 -5.421 -1.826 -12.756 1.00 52.42 H new ATOM 0 HG2 LYS A 76 -5.064 -3.176 -10.788 1.00 12.31 H new ATOM 0 HG3 LYS A 76 -5.120 -1.775 -9.737 1.00 12.31 H new ATOM 0 HD2 LYS A 76 -7.280 -2.544 -9.459 1.00 21.01 H new ATOM 0 HD3 LYS A 76 -7.535 -1.449 -10.803 1.00 21.01 H new ATOM 0 HE2 LYS A 76 -7.993 -3.137 -12.265 1.00 61.23 H new ATOM 0 HE3 LYS A 76 -6.712 -4.160 -11.645 1.00 61.23 H new ATOM 0 HZ1 LYS A 76 -8.881 -5.120 -11.225 1.00 62.40 H new ATOM 0 HZ2 LYS A 76 -8.124 -4.734 -9.755 1.00 62.40 H new ATOM 0 HZ3 LYS A 76 -9.364 -3.743 -10.356 1.00 62.40 H new ATOM 1029 N PHE A 77 -2.446 -1.533 -13.822 1.00 1.23 N ATOM 1030 CA PHE A 77 -1.953 -1.417 -15.189 1.00 62.32 C ATOM 1031 C PHE A 77 -2.320 -2.653 -16.006 1.00 54.41 C ATOM 1032 O PHE A 77 -2.451 -3.751 -15.466 1.00 73.35 O ATOM 1033 CB PHE A 77 -0.435 -1.223 -15.192 1.00 31.31 C ATOM 1034 CG PHE A 77 0.058 -0.339 -14.082 1.00 42.05 C ATOM 1035 CD1 PHE A 77 -0.573 0.862 -13.803 1.00 52.35 C ATOM 1036 CD2 PHE A 77 1.154 -0.709 -13.319 1.00 13.10 C ATOM 1037 CE1 PHE A 77 -0.122 1.678 -12.783 1.00 52.30 C ATOM 1038 CE2 PHE A 77 1.609 0.103 -12.297 1.00 70.31 C ATOM 1039 CZ PHE A 77 0.971 1.298 -12.030 1.00 1.24 C ATOM 0 H PHE A 77 -2.101 -2.349 -13.317 1.00 1.23 H new ATOM 0 HA PHE A 77 -2.425 -0.547 -15.646 1.00 62.32 H new ATOM 0 HB2 PHE A 77 0.048 -2.197 -15.112 1.00 31.31 H new ATOM 0 HB3 PHE A 77 -0.133 -0.795 -16.148 1.00 31.31 H new ATOM 0 HD1 PHE A 77 -1.428 1.164 -14.390 1.00 52.35 H new ATOM 0 HD2 PHE A 77 1.658 -1.642 -13.525 1.00 13.10 H new ATOM 0 HE1 PHE A 77 -0.624 2.612 -12.575 1.00 52.30 H new ATOM 0 HE2 PHE A 77 2.463 -0.197 -11.708 1.00 70.31 H new ATOM 0 HZ PHE A 77 1.326 1.935 -11.233 1.00 1.24 H new ATOM 1049 N VAL A 78 -2.486 -2.464 -17.311 1.00 52.34 N ATOM 1050 CA VAL A 78 -2.838 -3.561 -18.204 1.00 72.41 C ATOM 1051 C VAL A 78 -1.614 -4.074 -18.954 1.00 21.11 C ATOM 1052 O VAL A 78 -0.892 -3.303 -19.587 1.00 51.25 O ATOM 1053 CB VAL A 78 -3.910 -3.133 -19.225 1.00 24.54 C ATOM 1054 CG1 VAL A 78 -4.312 -4.309 -20.101 1.00 72.52 C ATOM 1055 CG2 VAL A 78 -5.120 -2.550 -18.512 1.00 54.11 C ATOM 0 H VAL A 78 -2.382 -1.561 -17.773 1.00 52.34 H new ATOM 0 HA VAL A 78 -3.239 -4.360 -17.580 1.00 72.41 H new ATOM 0 HB VAL A 78 -3.488 -2.360 -19.868 1.00 24.54 H new ATOM 0 HG11 VAL A 78 -5.070 -3.988 -20.816 1.00 72.52 H new ATOM 0 HG12 VAL A 78 -3.438 -4.677 -20.639 1.00 72.52 H new ATOM 0 HG13 VAL A 78 -4.716 -5.106 -19.477 1.00 72.52 H new ATOM 0 HG21 VAL A 78 -5.867 -2.253 -19.248 1.00 54.11 H new ATOM 0 HG22 VAL A 78 -5.545 -3.300 -17.845 1.00 54.11 H new ATOM 0 HG23 VAL A 78 -4.816 -1.679 -17.932 1.00 54.11 H new ATOM 1065 N LEU A 79 -1.385 -5.381 -18.879 1.00 13.53 N ATOM 1066 CA LEU A 79 -0.248 -5.998 -19.551 1.00 65.12 C ATOM 1067 C LEU A 79 -0.702 -6.794 -20.771 1.00 10.24 C ATOM 1068 O LEU A 79 -1.643 -7.585 -20.692 1.00 44.24 O ATOM 1069 CB LEU A 79 0.507 -6.912 -18.584 1.00 42.11 C ATOM 1070 CG LEU A 79 1.861 -6.398 -18.094 1.00 24.21 C ATOM 1071 CD1 LEU A 79 2.223 -7.035 -16.761 1.00 1.21 C ATOM 1072 CD2 LEU A 79 2.943 -6.673 -19.129 1.00 15.20 C ATOM 0 H LEU A 79 -1.972 -6.033 -18.359 1.00 13.53 H new ATOM 0 HA LEU A 79 0.419 -5.204 -19.886 1.00 65.12 H new ATOM 0 HB2 LEU A 79 -0.127 -7.092 -17.716 1.00 42.11 H new ATOM 0 HB3 LEU A 79 0.661 -7.875 -19.071 1.00 42.11 H new ATOM 0 HG LEU A 79 1.788 -5.320 -17.951 1.00 24.21 H new ATOM 0 HD11 LEU A 79 3.190 -6.657 -16.428 1.00 1.21 H new ATOM 0 HD12 LEU A 79 1.462 -6.787 -16.021 1.00 1.21 H new ATOM 0 HD13 LEU A 79 2.277 -8.117 -16.878 1.00 1.21 H new ATOM 0 HD21 LEU A 79 3.900 -6.300 -18.763 1.00 15.20 H new ATOM 0 HD22 LEU A 79 3.015 -7.746 -19.304 1.00 15.20 H new ATOM 0 HD23 LEU A 79 2.690 -6.169 -20.062 1.00 15.20 H new ATOM 1084 N ILE A 80 -0.027 -6.580 -21.895 1.00 71.40 N ATOM 1085 CA ILE A 80 -0.360 -7.280 -23.130 1.00 23.34 C ATOM 1086 C ILE A 80 0.720 -8.293 -23.495 1.00 73.51 C ATOM 1087 O ILE A 80 1.903 -8.081 -23.228 1.00 41.04 O ATOM 1088 CB ILE A 80 -0.544 -6.298 -24.301 1.00 61.05 C ATOM 1089 CG1 ILE A 80 -1.128 -7.023 -25.516 1.00 10.41 C ATOM 1090 CG2 ILE A 80 0.782 -5.642 -24.656 1.00 63.44 C ATOM 1091 CD1 ILE A 80 -2.210 -6.238 -26.225 1.00 31.44 C ATOM 0 H ILE A 80 0.753 -5.928 -21.976 1.00 71.40 H new ATOM 0 HA ILE A 80 -1.300 -7.802 -22.954 1.00 23.34 H new ATOM 0 HB ILE A 80 -1.242 -5.519 -23.996 1.00 61.05 H new ATOM 0 HG12 ILE A 80 -0.325 -7.238 -26.221 1.00 10.41 H new ATOM 0 HG13 ILE A 80 -1.536 -7.981 -25.196 1.00 10.41 H new ATOM 0 HG21 ILE A 80 0.635 -4.951 -25.486 1.00 63.44 H new ATOM 0 HG22 ILE A 80 1.161 -5.097 -23.792 1.00 63.44 H new ATOM 0 HG23 ILE A 80 1.501 -6.408 -24.945 1.00 63.44 H new ATOM 0 HD11 ILE A 80 -2.578 -6.812 -27.075 1.00 31.44 H new ATOM 0 HD12 ILE A 80 -3.031 -6.045 -25.535 1.00 31.44 H new ATOM 0 HD13 ILE A 80 -1.801 -5.291 -26.576 1.00 31.44 H new ATOM 1103 N THR A 81 0.304 -9.397 -24.110 1.00 4.14 N ATOM 1104 CA THR A 81 1.235 -10.443 -24.513 1.00 30.40 C ATOM 1105 C THR A 81 1.106 -10.750 -26.001 1.00 22.24 C ATOM 1106 O THR A 81 -0.001 -10.835 -26.533 1.00 24.10 O ATOM 1107 CB THR A 81 1.006 -11.739 -23.712 1.00 15.34 C ATOM 1108 OG1 THR A 81 2.066 -12.667 -23.966 1.00 52.24 O ATOM 1109 CG2 THR A 81 -0.328 -12.372 -24.077 1.00 74.12 C ATOM 0 H THR A 81 -0.671 -9.589 -24.339 1.00 4.14 H new ATOM 0 HA THR A 81 2.238 -10.070 -24.307 1.00 30.40 H new ATOM 0 HB THR A 81 0.992 -11.486 -22.652 1.00 15.34 H new ATOM 0 HG1 THR A 81 1.913 -13.487 -23.452 1.00 52.24 H new ATOM 0 HG21 THR A 81 -0.468 -13.285 -23.499 1.00 74.12 H new ATOM 0 HG22 THR A 81 -1.135 -11.674 -23.854 1.00 74.12 H new ATOM 0 HG23 THR A 81 -0.339 -12.610 -25.141 1.00 74.12 H new ATOM 1117 N ARG A 82 2.244 -10.916 -26.667 1.00 23.25 N ATOM 1118 CA ARG A 82 2.258 -11.213 -28.094 1.00 21.22 C ATOM 1119 C ARG A 82 2.698 -12.653 -28.345 1.00 52.43 C ATOM 1120 O ARG A 82 3.414 -13.245 -27.537 1.00 71.34 O ATOM 1121 CB ARG A 82 3.190 -10.248 -28.828 1.00 64.13 C ATOM 1122 CG ARG A 82 2.461 -9.121 -29.541 1.00 4.21 C ATOM 1123 CD ARG A 82 3.320 -8.506 -30.635 1.00 60.11 C ATOM 1124 NE ARG A 82 2.516 -7.803 -31.631 1.00 43.04 N ATOM 1125 CZ ARG A 82 3.031 -7.195 -32.694 1.00 52.43 C ATOM 1126 NH1 ARG A 82 4.341 -7.204 -32.898 1.00 52.21 N ATOM 1127 NH2 ARG A 82 2.234 -6.576 -33.556 1.00 41.14 N ATOM 0 H ARG A 82 3.168 -10.850 -26.241 1.00 23.25 H new ATOM 0 HA ARG A 82 1.245 -11.089 -28.476 1.00 21.22 H new ATOM 0 HB2 ARG A 82 3.892 -9.820 -28.113 1.00 64.13 H new ATOM 0 HB3 ARG A 82 3.778 -10.807 -29.556 1.00 64.13 H new ATOM 0 HG2 ARG A 82 1.536 -9.501 -29.974 1.00 4.21 H new ATOM 0 HG3 ARG A 82 2.183 -8.352 -28.820 1.00 4.21 H new ATOM 0 HD2 ARG A 82 4.033 -7.812 -30.189 1.00 60.11 H new ATOM 0 HD3 ARG A 82 3.900 -9.289 -31.124 1.00 60.11 H new ATOM 0 HE ARG A 82 1.504 -7.777 -31.504 1.00 43.04 H new ATOM 0 HH11 ARG A 82 4.957 -7.679 -32.238 1.00 52.21 H new ATOM 0 HH12 ARG A 82 4.733 -6.736 -33.715 1.00 52.21 H new ATOM 0 HH21 ARG A 82 1.226 -6.567 -33.402 1.00 41.14 H new ATOM 0 HH22 ARG A 82 2.630 -6.109 -34.372 1.00 41.14 H new