USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.333 USER MOD Single : A 30 ASN : amide:sc= -2.71! C(o=-2.7!,f=-7.4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0027 USER MOD Single : A 38 THR OG1 : rot -95:sc= 1.18 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 88:sc= -1.34 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -135:sc= -1.18 (180deg=-3.44!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 51 THR OG1 : rot 4:sc= 1.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 109:sc= -0.104 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 -140:sc= 0.138 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 2.328 -0.177 -0.641 1.00 53.54 N ATOM 2 CA MET A 9 2.366 0.058 -2.080 1.00 44.22 C ATOM 3 C MET A 9 2.122 -1.236 -2.849 1.00 35.40 C ATOM 4 O MET A 9 3.021 -2.064 -2.994 1.00 63.21 O ATOM 5 CB MET A 9 3.714 0.658 -2.485 1.00 24.04 C ATOM 6 CG MET A 9 3.612 2.077 -3.019 1.00 3.30 C ATOM 7 SD MET A 9 3.783 3.321 -1.725 1.00 24.14 S ATOM 8 CE MET A 9 3.958 4.809 -2.706 1.00 13.12 C ATOM 0 HA MET A 9 1.573 0.763 -2.328 1.00 44.22 H new ATOM 0 HB2 MET A 9 4.380 0.650 -1.622 1.00 24.04 H new ATOM 0 HB3 MET A 9 4.171 0.024 -3.245 1.00 24.04 H new ATOM 0 HG2 MET A 9 4.384 2.234 -3.772 1.00 3.30 H new ATOM 0 HG3 MET A 9 2.651 2.206 -3.516 1.00 3.30 H new ATOM 0 HE1 MET A 9 4.073 5.669 -2.046 1.00 13.12 H new ATOM 0 HE2 MET A 9 4.836 4.722 -3.345 1.00 13.12 H new ATOM 0 HE3 MET A 9 3.071 4.943 -3.325 1.00 13.12 H new ATOM 18 N LYS A 10 0.898 -1.405 -3.340 1.00 24.53 N ATOM 19 CA LYS A 10 0.535 -2.599 -4.095 1.00 14.43 C ATOM 20 C LYS A 10 -0.145 -2.225 -5.408 1.00 63.14 C ATOM 21 O LYS A 10 -0.800 -1.187 -5.506 1.00 3.12 O ATOM 22 CB LYS A 10 -0.392 -3.490 -3.264 1.00 51.35 C ATOM 23 CG LYS A 10 0.339 -4.337 -2.237 1.00 15.20 C ATOM 24 CD LYS A 10 -0.529 -5.480 -1.738 1.00 14.22 C ATOM 25 CE LYS A 10 -1.646 -4.979 -0.834 1.00 45.42 C ATOM 26 NZ LYS A 10 -1.206 -4.874 0.585 1.00 62.23 N ATOM 0 H LYS A 10 0.141 -0.730 -3.228 1.00 24.53 H new ATOM 0 HA LYS A 10 1.449 -3.148 -4.322 1.00 14.43 H new ATOM 0 HB2 LYS A 10 -1.122 -2.863 -2.752 1.00 51.35 H new ATOM 0 HB3 LYS A 10 -0.949 -4.146 -3.934 1.00 51.35 H new ATOM 0 HG2 LYS A 10 1.252 -4.738 -2.678 1.00 15.20 H new ATOM 0 HG3 LYS A 10 0.639 -3.712 -1.396 1.00 15.20 H new ATOM 0 HD2 LYS A 10 -0.958 -6.010 -2.588 1.00 14.22 H new ATOM 0 HD3 LYS A 10 0.087 -6.196 -1.194 1.00 14.22 H new ATOM 0 HE2 LYS A 10 -1.985 -4.003 -1.182 1.00 45.42 H new ATOM 0 HE3 LYS A 10 -2.498 -5.655 -0.901 1.00 45.42 H new ATOM 0 HZ1 LYS A 10 -1.995 -4.530 1.169 1.00 62.23 H new ATOM 0 HZ2 LYS A 10 -0.906 -5.810 0.926 1.00 62.23 H new ATOM 0 HZ3 LYS A 10 -0.409 -4.209 0.653 1.00 62.23 H new ATOM 40 N ILE A 11 0.015 -3.078 -6.415 1.00 14.22 N ATOM 41 CA ILE A 11 -0.586 -2.838 -7.721 1.00 42.42 C ATOM 42 C ILE A 11 -1.181 -4.118 -8.296 1.00 71.24 C ATOM 43 O ILE A 11 -0.746 -5.222 -7.966 1.00 13.32 O ATOM 44 CB ILE A 11 0.442 -2.270 -8.718 1.00 24.15 C ATOM 45 CG1 ILE A 11 1.483 -3.334 -9.071 1.00 64.22 C ATOM 46 CG2 ILE A 11 1.115 -1.035 -8.138 1.00 44.22 C ATOM 47 CD1 ILE A 11 1.154 -4.107 -10.329 1.00 43.12 C ATOM 0 H ILE A 11 0.555 -3.941 -6.351 1.00 14.22 H new ATOM 0 HA ILE A 11 -1.380 -2.106 -7.573 1.00 42.42 H new ATOM 0 HB ILE A 11 -0.079 -1.981 -9.631 1.00 24.15 H new ATOM 0 HG12 ILE A 11 2.454 -2.854 -9.193 1.00 64.22 H new ATOM 0 HG13 ILE A 11 1.574 -4.032 -8.239 1.00 64.22 H new ATOM 0 HG21 ILE A 11 1.839 -0.645 -8.854 1.00 44.22 H new ATOM 0 HG22 ILE A 11 0.363 -0.274 -7.931 1.00 44.22 H new ATOM 0 HG23 ILE A 11 1.627 -1.300 -7.213 1.00 44.22 H new ATOM 0 HD11 ILE A 11 1.935 -4.844 -10.518 1.00 43.12 H new ATOM 0 HD12 ILE A 11 0.198 -4.615 -10.204 1.00 43.12 H new ATOM 0 HD13 ILE A 11 1.092 -3.420 -11.173 1.00 43.12 H new ATOM 59 N LYS A 12 -2.178 -3.964 -9.161 1.00 72.20 N ATOM 60 CA LYS A 12 -2.833 -5.107 -9.786 1.00 63.33 C ATOM 61 C LYS A 12 -2.646 -5.080 -11.300 1.00 23.41 C ATOM 62 O LYS A 12 -3.098 -4.155 -11.974 1.00 52.31 O ATOM 63 CB LYS A 12 -4.325 -5.116 -9.446 1.00 42.43 C ATOM 64 CG LYS A 12 -4.611 -4.972 -7.962 1.00 31.25 C ATOM 65 CD LYS A 12 -5.857 -5.742 -7.557 1.00 20.31 C ATOM 66 CE LYS A 12 -5.528 -6.859 -6.578 1.00 75.44 C ATOM 67 NZ LYS A 12 -5.416 -6.357 -5.181 1.00 34.51 N ATOM 0 H LYS A 12 -2.550 -3.058 -9.445 1.00 72.20 H new ATOM 0 HA LYS A 12 -2.373 -6.015 -9.396 1.00 63.33 H new ATOM 0 HB2 LYS A 12 -4.816 -4.304 -9.983 1.00 42.43 H new ATOM 0 HB3 LYS A 12 -4.765 -6.047 -9.804 1.00 42.43 H new ATOM 0 HG2 LYS A 12 -3.757 -5.333 -7.389 1.00 31.25 H new ATOM 0 HG3 LYS A 12 -4.737 -3.918 -7.715 1.00 31.25 H new ATOM 0 HD2 LYS A 12 -6.576 -5.060 -7.104 1.00 20.31 H new ATOM 0 HD3 LYS A 12 -6.331 -6.162 -8.444 1.00 20.31 H new ATOM 0 HE2 LYS A 12 -6.302 -7.625 -6.628 1.00 75.44 H new ATOM 0 HE3 LYS A 12 -4.591 -7.333 -6.870 1.00 75.44 H new ATOM 0 HZ1 LYS A 12 -5.191 -7.148 -4.545 1.00 34.51 H new ATOM 0 HZ2 LYS A 12 -4.660 -5.644 -5.128 1.00 34.51 H new ATOM 0 HZ3 LYS A 12 -6.318 -5.927 -4.893 1.00 34.51 H new ATOM 81 N ILE A 13 -1.978 -6.101 -11.827 1.00 70.11 N ATOM 82 CA ILE A 13 -1.734 -6.195 -13.261 1.00 53.32 C ATOM 83 C ILE A 13 -2.382 -7.444 -13.848 1.00 52.05 C ATOM 84 O ILE A 13 -2.049 -8.567 -13.469 1.00 3.53 O ATOM 85 CB ILE A 13 -0.227 -6.216 -13.576 1.00 2.32 C ATOM 86 CG1 ILE A 13 0.000 -6.400 -15.078 1.00 24.34 C ATOM 87 CG2 ILE A 13 0.463 -7.321 -12.790 1.00 71.13 C ATOM 88 CD1 ILE A 13 1.073 -5.495 -15.642 1.00 73.12 C ATOM 0 H ILE A 13 -1.596 -6.874 -11.282 1.00 70.11 H new ATOM 0 HA ILE A 13 -2.179 -5.310 -13.715 1.00 53.32 H new ATOM 0 HB ILE A 13 0.205 -5.261 -13.277 1.00 2.32 H new ATOM 0 HG12 ILE A 13 0.272 -7.438 -15.272 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -0.936 -6.212 -15.604 1.00 24.34 H new ATOM 0 HG21 ILE A 13 1.528 -7.323 -13.023 1.00 71.13 H new ATOM 0 HG22 ILE A 13 0.326 -7.148 -11.723 1.00 71.13 H new ATOM 0 HG23 ILE A 13 0.030 -8.284 -13.060 1.00 71.13 H new ATOM 0 HD11 ILE A 13 1.180 -5.680 -16.711 1.00 73.12 H new ATOM 0 HD12 ILE A 13 0.793 -4.454 -15.480 1.00 73.12 H new ATOM 0 HD13 ILE A 13 2.020 -5.698 -15.142 1.00 73.12 H new ATOM 100 N VAL A 14 -3.310 -7.241 -14.779 1.00 65.31 N ATOM 101 CA VAL A 14 -4.003 -8.351 -15.422 1.00 63.20 C ATOM 102 C VAL A 14 -3.544 -8.523 -16.866 1.00 31.12 C ATOM 103 O VAL A 14 -3.830 -7.701 -17.736 1.00 54.03 O ATOM 104 CB VAL A 14 -5.529 -8.147 -15.401 1.00 33.43 C ATOM 105 CG1 VAL A 14 -5.894 -6.781 -15.960 1.00 4.41 C ATOM 106 CG2 VAL A 14 -6.225 -9.254 -16.179 1.00 50.21 C ATOM 0 H VAL A 14 -3.599 -6.318 -15.104 1.00 65.31 H new ATOM 0 HA VAL A 14 -3.756 -9.249 -14.856 1.00 63.20 H new ATOM 0 HB VAL A 14 -5.869 -8.192 -14.366 1.00 33.43 H new ATOM 0 HG11 VAL A 14 -6.977 -6.656 -15.937 1.00 4.41 H new ATOM 0 HG12 VAL A 14 -5.426 -6.004 -15.356 1.00 4.41 H new ATOM 0 HG13 VAL A 14 -5.542 -6.703 -16.989 1.00 4.41 H new ATOM 0 HG21 VAL A 14 -7.303 -9.094 -16.154 1.00 50.21 H new ATOM 0 HG22 VAL A 14 -5.881 -9.244 -17.213 1.00 50.21 H new ATOM 0 HG23 VAL A 14 -5.991 -10.218 -15.728 1.00 50.21 H new ATOM 116 N PRO A 15 -2.815 -9.618 -17.128 1.00 41.25 N ATOM 117 CA PRO A 15 -2.302 -9.925 -18.467 1.00 4.41 C ATOM 118 C PRO A 15 -3.411 -10.311 -19.439 1.00 12.12 C ATOM 119 O PRO A 15 -4.285 -11.113 -19.111 1.00 13.43 O ATOM 120 CB PRO A 15 -1.366 -11.111 -18.224 1.00 61.55 C ATOM 121 CG PRO A 15 -1.884 -11.755 -16.985 1.00 4.04 C ATOM 122 CD PRO A 15 -2.436 -10.641 -16.139 1.00 42.43 C ATOM 0 HA PRO A 15 -1.813 -9.065 -18.923 1.00 4.41 H new ATOM 0 HB2 PRO A 15 -1.379 -11.804 -19.065 1.00 61.55 H new ATOM 0 HB3 PRO A 15 -0.335 -10.782 -18.098 1.00 61.55 H new ATOM 0 HG2 PRO A 15 -2.657 -12.487 -17.219 1.00 4.04 H new ATOM 0 HG3 PRO A 15 -1.090 -12.287 -16.460 1.00 4.04 H new ATOM 0 HD2 PRO A 15 -3.293 -10.969 -15.552 1.00 42.43 H new ATOM 0 HD3 PRO A 15 -1.693 -10.264 -15.436 1.00 42.43 H new ATOM 130 N ALA A 16 -3.369 -9.736 -20.636 1.00 55.22 N ATOM 131 CA ALA A 16 -4.370 -10.022 -21.657 1.00 32.34 C ATOM 132 C ALA A 16 -4.057 -11.327 -22.381 1.00 53.04 C ATOM 133 O ALA A 16 -3.902 -11.349 -23.602 1.00 42.34 O ATOM 134 CB ALA A 16 -4.456 -8.872 -22.649 1.00 71.32 C ATOM 0 H ALA A 16 -2.653 -9.069 -20.923 1.00 55.22 H new ATOM 0 HA ALA A 16 -5.336 -10.133 -21.164 1.00 32.34 H new ATOM 0 HB1 ALA A 16 -5.207 -9.099 -23.405 1.00 71.32 H new ATOM 0 HB2 ALA A 16 -4.735 -7.959 -22.124 1.00 71.32 H new ATOM 0 HB3 ALA A 16 -3.488 -8.733 -23.130 1.00 71.32 H new ATOM 140 N VAL A 17 -3.965 -12.414 -21.621 1.00 54.42 N ATOM 141 CA VAL A 17 -3.671 -13.723 -22.191 1.00 52.24 C ATOM 142 C VAL A 17 -3.724 -14.811 -21.125 1.00 60.11 C ATOM 143 O VAL A 17 -3.519 -14.546 -19.941 1.00 51.54 O ATOM 144 CB VAL A 17 -2.285 -13.744 -22.863 1.00 32.01 C ATOM 145 CG1 VAL A 17 -1.184 -13.634 -21.819 1.00 53.10 C ATOM 146 CG2 VAL A 17 -2.117 -15.005 -23.696 1.00 63.44 C ATOM 0 H VAL A 17 -4.090 -12.413 -20.609 1.00 54.42 H new ATOM 0 HA VAL A 17 -4.434 -13.919 -22.944 1.00 52.24 H new ATOM 0 HB VAL A 17 -2.209 -12.884 -23.528 1.00 32.01 H new ATOM 0 HG11 VAL A 17 -0.212 -13.651 -22.312 1.00 53.10 H new ATOM 0 HG12 VAL A 17 -1.296 -12.700 -21.269 1.00 53.10 H new ATOM 0 HG13 VAL A 17 -1.254 -14.473 -21.127 1.00 53.10 H new ATOM 0 HG21 VAL A 17 -1.132 -15.004 -24.164 1.00 63.44 H new ATOM 0 HG22 VAL A 17 -2.213 -15.881 -23.054 1.00 63.44 H new ATOM 0 HG23 VAL A 17 -2.885 -15.036 -24.468 1.00 63.44 H new ATOM 156 N GLY A 18 -4.000 -16.039 -21.554 1.00 21.25 N ATOM 157 CA GLY A 18 -4.074 -17.150 -20.623 1.00 33.31 C ATOM 158 C GLY A 18 -5.004 -16.870 -19.459 1.00 24.23 C ATOM 159 O GLY A 18 -4.556 -16.505 -18.372 1.00 75.23 O ATOM 0 H GLY A 18 -4.174 -16.284 -22.529 1.00 21.25 H new ATOM 0 HA2 GLY A 18 -4.416 -18.040 -21.151 1.00 33.31 H new ATOM 0 HA3 GLY A 18 -3.076 -17.368 -20.242 1.00 33.31 H new ATOM 163 N GLY A 19 -6.303 -17.040 -19.686 1.00 43.11 N ATOM 164 CA GLY A 19 -7.277 -16.797 -18.639 1.00 11.45 C ATOM 165 C GLY A 19 -7.634 -15.329 -18.508 1.00 60.20 C ATOM 166 O GLY A 19 -8.807 -14.962 -18.555 1.00 51.22 O ATOM 0 H GLY A 19 -6.698 -17.342 -20.577 1.00 43.11 H new ATOM 0 HA2 GLY A 19 -8.180 -17.370 -18.847 1.00 11.45 H new ATOM 0 HA3 GLY A 19 -6.882 -17.158 -17.689 1.00 11.45 H new ATOM 170 N GLY A 20 -6.618 -14.487 -18.342 1.00 34.14 N ATOM 171 CA GLY A 20 -6.852 -13.061 -18.204 1.00 61.44 C ATOM 172 C GLY A 20 -7.437 -12.697 -16.854 1.00 42.13 C ATOM 173 O GLY A 20 -8.595 -12.291 -16.761 1.00 72.21 O ATOM 0 H GLY A 20 -5.638 -14.767 -18.301 1.00 34.14 H new ATOM 0 HA2 GLY A 20 -5.913 -12.527 -18.345 1.00 61.44 H new ATOM 0 HA3 GLY A 20 -7.529 -12.729 -18.991 1.00 61.44 H new ATOM 177 N SER A 21 -6.635 -12.843 -15.805 1.00 24.24 N ATOM 178 CA SER A 21 -7.081 -12.532 -14.452 1.00 12.41 C ATOM 179 C SER A 21 -6.115 -11.569 -13.769 1.00 2.31 C ATOM 180 O SER A 21 -4.927 -11.510 -14.088 1.00 72.13 O ATOM 181 CB SER A 21 -7.210 -13.813 -13.627 1.00 31.43 C ATOM 182 OG SER A 21 -6.809 -13.599 -12.285 1.00 5.42 O ATOM 0 H SER A 21 -5.672 -13.175 -15.866 1.00 24.24 H new ATOM 0 HA SER A 21 -8.058 -12.052 -14.520 1.00 12.41 H new ATOM 0 HB2 SER A 21 -8.243 -14.161 -13.650 1.00 31.43 H new ATOM 0 HB3 SER A 21 -6.599 -14.598 -14.071 1.00 31.43 H new ATOM 0 HG SER A 21 -6.902 -14.433 -11.779 1.00 5.42 H new ATOM 188 N PRO A 22 -6.635 -10.794 -12.805 1.00 61.22 N ATOM 189 CA PRO A 22 -5.836 -9.820 -12.056 1.00 14.42 C ATOM 190 C PRO A 22 -4.838 -10.488 -11.116 1.00 54.33 C ATOM 191 O PRO A 22 -5.195 -11.384 -10.350 1.00 52.03 O ATOM 192 CB PRO A 22 -6.885 -9.042 -11.257 1.00 1.43 C ATOM 193 CG PRO A 22 -8.030 -9.984 -11.117 1.00 13.25 C ATOM 194 CD PRO A 22 -8.042 -10.811 -12.372 1.00 53.23 C ATOM 0 HA PRO A 22 -5.231 -9.196 -12.714 1.00 14.42 H new ATOM 0 HB2 PRO A 22 -6.498 -8.742 -10.283 1.00 1.43 H new ATOM 0 HB3 PRO A 22 -7.183 -8.131 -11.776 1.00 1.43 H new ATOM 0 HG2 PRO A 22 -7.911 -10.614 -10.236 1.00 13.25 H new ATOM 0 HG3 PRO A 22 -8.968 -9.442 -10.998 1.00 13.25 H new ATOM 0 HD2 PRO A 22 -8.392 -11.826 -12.181 1.00 53.23 H new ATOM 0 HD3 PRO A 22 -8.700 -10.384 -13.128 1.00 53.23 H new ATOM 202 N LEU A 23 -3.587 -10.046 -11.179 1.00 70.42 N ATOM 203 CA LEU A 23 -2.536 -10.602 -10.333 1.00 14.40 C ATOM 204 C LEU A 23 -2.003 -9.549 -9.366 1.00 70.41 C ATOM 205 O LEU A 23 -1.816 -8.391 -9.736 1.00 53.15 O ATOM 206 CB LEU A 23 -1.395 -11.145 -11.194 1.00 23.01 C ATOM 207 CG LEU A 23 -1.720 -12.375 -12.042 1.00 55.33 C ATOM 208 CD1 LEU A 23 -1.037 -12.285 -13.398 1.00 4.53 C ATOM 209 CD2 LEU A 23 -1.307 -13.647 -11.318 1.00 21.42 C ATOM 0 H LEU A 23 -3.275 -9.305 -11.807 1.00 70.42 H new ATOM 0 HA LEU A 23 -2.964 -11.419 -9.752 1.00 14.40 H new ATOM 0 HB2 LEU A 23 -1.058 -10.349 -11.858 1.00 23.01 H new ATOM 0 HB3 LEU A 23 -0.558 -11.390 -10.540 1.00 23.01 H new ATOM 0 HG LEU A 23 -2.798 -12.406 -12.203 1.00 55.33 H new ATOM 0 HD11 LEU A 23 -1.280 -13.169 -13.987 1.00 4.53 H new ATOM 0 HD12 LEU A 23 -1.383 -11.394 -13.921 1.00 4.53 H new ATOM 0 HD13 LEU A 23 0.043 -12.227 -13.259 1.00 4.53 H new ATOM 0 HD21 LEU A 23 -1.546 -14.512 -11.937 1.00 21.42 H new ATOM 0 HD22 LEU A 23 -0.234 -13.624 -11.125 1.00 21.42 H new ATOM 0 HD23 LEU A 23 -1.844 -13.718 -10.372 1.00 21.42 H new ATOM 221 N GLU A 24 -1.758 -9.962 -8.126 1.00 71.24 N ATOM 222 CA GLU A 24 -1.245 -9.054 -7.107 1.00 65.52 C ATOM 223 C GLU A 24 0.281 -9.056 -7.096 1.00 24.41 C ATOM 224 O GLU A 24 0.912 -10.113 -7.034 1.00 11.24 O ATOM 225 CB GLU A 24 -1.776 -9.448 -5.727 1.00 71.14 C ATOM 226 CG GLU A 24 -1.902 -8.277 -4.767 1.00 70.40 C ATOM 227 CD GLU A 24 -1.893 -8.711 -3.314 1.00 71.31 C ATOM 228 OE1 GLU A 24 -0.970 -9.455 -2.922 1.00 71.21 O ATOM 229 OE2 GLU A 24 -2.810 -8.306 -2.569 1.00 21.00 O ATOM 0 H GLU A 24 -1.906 -10.918 -7.804 1.00 71.24 H new ATOM 0 HA GLU A 24 -1.589 -8.048 -7.347 1.00 65.52 H new ATOM 0 HB2 GLU A 24 -2.752 -9.918 -5.843 1.00 71.14 H new ATOM 0 HB3 GLU A 24 -1.112 -10.195 -5.291 1.00 71.14 H new ATOM 0 HG2 GLU A 24 -1.081 -7.581 -4.939 1.00 70.40 H new ATOM 0 HG3 GLU A 24 -2.826 -7.738 -4.976 1.00 70.40 H new ATOM 236 N LEU A 25 0.869 -7.867 -7.157 1.00 51.43 N ATOM 237 CA LEU A 25 2.321 -7.729 -7.155 1.00 23.42 C ATOM 238 C LEU A 25 2.753 -6.520 -6.331 1.00 74.13 C ATOM 239 O LEU A 25 2.099 -5.478 -6.353 1.00 35.14 O ATOM 240 CB LEU A 25 2.843 -7.598 -8.587 1.00 24.24 C ATOM 241 CG LEU A 25 3.779 -8.709 -9.064 1.00 72.54 C ATOM 242 CD1 LEU A 25 5.086 -8.677 -8.288 1.00 63.05 C ATOM 243 CD2 LEU A 25 3.108 -10.068 -8.925 1.00 74.14 C ATOM 0 H LEU A 25 0.362 -6.983 -7.209 1.00 51.43 H new ATOM 0 HA LEU A 25 2.745 -8.625 -6.701 1.00 23.42 H new ATOM 0 HB2 LEU A 25 1.988 -7.556 -9.262 1.00 24.24 H new ATOM 0 HB3 LEU A 25 3.366 -6.646 -8.676 1.00 24.24 H new ATOM 0 HG LEU A 25 4.002 -8.541 -10.118 1.00 72.54 H new ATOM 0 HD11 LEU A 25 5.739 -9.475 -8.642 1.00 63.05 H new ATOM 0 HD12 LEU A 25 5.575 -7.715 -8.439 1.00 63.05 H new ATOM 0 HD13 LEU A 25 4.882 -8.818 -7.227 1.00 63.05 H new ATOM 0 HD21 LEU A 25 3.789 -10.847 -9.269 1.00 74.14 H new ATOM 0 HD22 LEU A 25 2.855 -10.243 -7.879 1.00 74.14 H new ATOM 0 HD23 LEU A 25 2.199 -10.088 -9.527 1.00 74.14 H new ATOM 255 N GLU A 26 3.859 -6.667 -5.608 1.00 53.35 N ATOM 256 CA GLU A 26 4.377 -5.585 -4.779 1.00 65.13 C ATOM 257 C GLU A 26 5.529 -4.868 -5.478 1.00 71.13 C ATOM 258 O GLU A 26 6.629 -5.408 -5.600 1.00 12.31 O ATOM 259 CB GLU A 26 4.846 -6.129 -3.428 1.00 11.52 C ATOM 260 CG GLU A 26 5.818 -7.291 -3.543 1.00 1.41 C ATOM 261 CD GLU A 26 7.083 -7.076 -2.734 1.00 54.41 C ATOM 262 OE1 GLU A 26 7.999 -6.392 -3.238 1.00 30.45 O ATOM 263 OE2 GLU A 26 7.156 -7.590 -1.599 1.00 21.22 O ATOM 0 H GLU A 26 4.413 -7.523 -5.580 1.00 53.35 H new ATOM 0 HA GLU A 26 3.572 -4.869 -4.615 1.00 65.13 H new ATOM 0 HB2 GLU A 26 5.320 -5.324 -2.867 1.00 11.52 H new ATOM 0 HB3 GLU A 26 3.977 -6.449 -2.853 1.00 11.52 H new ATOM 0 HG2 GLU A 26 5.327 -8.205 -3.207 1.00 1.41 H new ATOM 0 HG3 GLU A 26 6.082 -7.437 -4.591 1.00 1.41 H new ATOM 270 N VAL A 27 5.267 -3.648 -5.937 1.00 24.11 N ATOM 271 CA VAL A 27 6.281 -2.856 -6.623 1.00 53.14 C ATOM 272 C VAL A 27 6.182 -1.384 -6.238 1.00 20.21 C ATOM 273 O VAL A 27 5.205 -0.957 -5.624 1.00 30.24 O ATOM 274 CB VAL A 27 6.152 -2.984 -8.153 1.00 25.31 C ATOM 275 CG1 VAL A 27 6.146 -4.448 -8.567 1.00 52.23 C ATOM 276 CG2 VAL A 27 4.898 -2.277 -8.643 1.00 61.12 C ATOM 0 H VAL A 27 4.362 -3.187 -5.846 1.00 24.11 H new ATOM 0 HA VAL A 27 7.251 -3.246 -6.313 1.00 53.14 H new ATOM 0 HB VAL A 27 7.015 -2.504 -8.615 1.00 25.31 H new ATOM 0 HG11 VAL A 27 6.054 -4.519 -9.651 1.00 52.23 H new ATOM 0 HG12 VAL A 27 7.076 -4.920 -8.250 1.00 52.23 H new ATOM 0 HG13 VAL A 27 5.303 -4.955 -8.097 1.00 52.23 H new ATOM 0 HG21 VAL A 27 4.823 -2.378 -9.726 1.00 61.12 H new ATOM 0 HG22 VAL A 27 4.021 -2.725 -8.175 1.00 61.12 H new ATOM 0 HG23 VAL A 27 4.949 -1.221 -8.380 1.00 61.12 H new ATOM 286 N ALA A 28 7.201 -0.613 -6.603 1.00 53.14 N ATOM 287 CA ALA A 28 7.228 0.812 -6.298 1.00 52.22 C ATOM 288 C ALA A 28 7.410 1.642 -7.565 1.00 23.52 C ATOM 289 O ALA A 28 8.456 1.606 -8.214 1.00 20.03 O ATOM 290 CB ALA A 28 8.336 1.117 -5.301 1.00 14.40 C ATOM 0 H ALA A 28 8.019 -0.951 -7.110 1.00 53.14 H new ATOM 0 HA ALA A 28 6.270 1.081 -5.854 1.00 52.22 H new ATOM 0 HB1 ALA A 28 8.345 2.185 -5.082 1.00 14.40 H new ATOM 0 HB2 ALA A 28 8.161 0.559 -4.381 1.00 14.40 H new ATOM 0 HB3 ALA A 28 9.297 0.826 -5.725 1.00 14.40 H new ATOM 296 N PRO A 29 6.370 2.406 -7.927 1.00 52.34 N ATOM 297 CA PRO A 29 6.392 3.259 -9.120 1.00 14.04 C ATOM 298 C PRO A 29 7.336 4.446 -8.966 1.00 43.11 C ATOM 299 O PRO A 29 7.661 5.123 -9.941 1.00 22.33 O ATOM 300 CB PRO A 29 4.943 3.740 -9.238 1.00 43.11 C ATOM 301 CG PRO A 29 4.405 3.667 -7.851 1.00 2.22 C ATOM 302 CD PRO A 29 5.092 2.498 -7.201 1.00 61.12 C ATOM 0 HA PRO A 29 6.751 2.723 -9.998 1.00 14.04 H new ATOM 0 HB2 PRO A 29 4.894 4.756 -9.629 1.00 43.11 H new ATOM 0 HB3 PRO A 29 4.371 3.109 -9.918 1.00 43.11 H new ATOM 0 HG2 PRO A 29 4.605 4.589 -7.306 1.00 2.22 H new ATOM 0 HG3 PRO A 29 3.324 3.529 -7.859 1.00 2.22 H new ATOM 0 HD2 PRO A 29 5.247 2.665 -6.135 1.00 61.12 H new ATOM 0 HD3 PRO A 29 4.507 1.583 -7.299 1.00 61.12 H new ATOM 310 N ASN A 30 7.774 4.693 -7.736 1.00 23.34 N ATOM 311 CA ASN A 30 8.682 5.799 -7.455 1.00 23.20 C ATOM 312 C ASN A 30 10.134 5.378 -7.666 1.00 54.21 C ATOM 313 O ASN A 30 11.059 6.113 -7.323 1.00 65.31 O ATOM 314 CB ASN A 30 8.487 6.295 -6.021 1.00 11.11 C ATOM 315 CG ASN A 30 8.946 5.281 -4.991 1.00 1.43 C ATOM 316 OD1 ASN A 30 8.452 4.154 -4.949 1.00 43.54 O ATOM 317 ND2 ASN A 30 9.896 5.679 -4.152 1.00 50.12 N ATOM 0 H ASN A 30 7.515 4.142 -6.918 1.00 23.34 H new ATOM 0 HA ASN A 30 8.452 6.609 -8.147 1.00 23.20 H new ATOM 0 HB2 ASN A 30 9.039 7.225 -5.883 1.00 11.11 H new ATOM 0 HB3 ASN A 30 7.434 6.523 -5.858 1.00 11.11 H new ATOM 0 HD21 ASN A 30 10.245 5.041 -3.437 1.00 50.12 H new ATOM 0 HD22 ASN A 30 10.277 6.623 -4.223 1.00 50.12 H new ATOM 324 N ALA A 31 10.323 4.192 -8.233 1.00 64.54 N ATOM 325 CA ALA A 31 11.661 3.674 -8.493 1.00 2.11 C ATOM 326 C ALA A 31 11.989 3.720 -9.982 1.00 15.54 C ATOM 327 O ALA A 31 12.707 4.608 -10.443 1.00 72.01 O ATOM 328 CB ALA A 31 11.788 2.252 -7.967 1.00 4.24 C ATOM 0 H ALA A 31 9.567 3.571 -8.521 1.00 64.54 H new ATOM 0 HA ALA A 31 12.377 4.309 -7.970 1.00 2.11 H new ATOM 0 HB1 ALA A 31 12.792 1.878 -8.168 1.00 4.24 H new ATOM 0 HB2 ALA A 31 11.606 2.244 -6.892 1.00 4.24 H new ATOM 0 HB3 ALA A 31 11.057 1.614 -8.463 1.00 4.24 H new ATOM 334 N THR A 32 11.458 2.758 -10.730 1.00 13.21 N ATOM 335 CA THR A 32 11.695 2.688 -12.166 1.00 40.31 C ATOM 336 C THR A 32 10.597 1.897 -12.867 1.00 32.31 C ATOM 337 O THR A 32 10.089 0.912 -12.331 1.00 31.23 O ATOM 338 CB THR A 32 13.058 2.042 -12.480 1.00 13.14 C ATOM 339 OG1 THR A 32 13.620 1.482 -11.288 1.00 2.34 O ATOM 340 CG2 THR A 32 14.019 3.064 -13.068 1.00 75.04 C ATOM 0 H THR A 32 10.861 2.016 -10.365 1.00 13.21 H new ATOM 0 HA THR A 32 11.693 3.713 -12.536 1.00 40.31 H new ATOM 0 HB THR A 32 12.900 1.251 -13.214 1.00 13.14 H new ATOM 0 HG1 THR A 32 14.485 1.072 -11.496 1.00 2.34 H new ATOM 0 HG21 THR A 32 14.974 2.584 -13.281 1.00 75.04 H new ATOM 0 HG22 THR A 32 13.601 3.467 -13.990 1.00 75.04 H new ATOM 0 HG23 THR A 32 14.171 3.873 -12.354 1.00 75.04 H new ATOM 348 N VAL A 33 10.235 2.333 -14.069 1.00 75.12 N ATOM 349 CA VAL A 33 9.197 1.663 -14.845 1.00 1.53 C ATOM 350 C VAL A 33 9.661 0.288 -15.312 1.00 2.43 C ATOM 351 O VAL A 33 8.916 -0.688 -15.240 1.00 13.51 O ATOM 352 CB VAL A 33 8.787 2.499 -16.072 1.00 34.21 C ATOM 353 CG1 VAL A 33 7.747 1.758 -16.899 1.00 65.43 C ATOM 354 CG2 VAL A 33 8.263 3.860 -15.639 1.00 23.24 C ATOM 0 H VAL A 33 10.645 3.147 -14.527 1.00 75.12 H new ATOM 0 HA VAL A 33 8.335 1.548 -14.188 1.00 1.53 H new ATOM 0 HB VAL A 33 9.668 2.655 -16.694 1.00 34.21 H new ATOM 0 HG11 VAL A 33 7.469 2.364 -17.762 1.00 65.43 H new ATOM 0 HG12 VAL A 33 8.162 0.809 -17.240 1.00 65.43 H new ATOM 0 HG13 VAL A 33 6.864 1.569 -16.289 1.00 65.43 H new ATOM 0 HG21 VAL A 33 7.978 4.437 -16.519 1.00 23.24 H new ATOM 0 HG22 VAL A 33 7.394 3.727 -14.995 1.00 23.24 H new ATOM 0 HG23 VAL A 33 9.041 4.392 -15.092 1.00 23.24 H new ATOM 364 N GLY A 34 10.900 0.219 -15.791 1.00 33.22 N ATOM 365 CA GLY A 34 11.443 -1.041 -16.263 1.00 32.54 C ATOM 366 C GLY A 34 11.688 -2.025 -15.136 1.00 31.33 C ATOM 367 O GLY A 34 11.555 -3.235 -15.319 1.00 15.22 O ATOM 0 H GLY A 34 11.537 1.013 -15.860 1.00 33.22 H new ATOM 0 HA2 GLY A 34 10.755 -1.483 -16.984 1.00 32.54 H new ATOM 0 HA3 GLY A 34 12.379 -0.855 -16.789 1.00 32.54 H new ATOM 371 N ALA A 35 12.049 -1.506 -13.967 1.00 1.11 N ATOM 372 CA ALA A 35 12.313 -2.347 -12.806 1.00 43.12 C ATOM 373 C ALA A 35 11.043 -3.048 -12.336 1.00 3.02 C ATOM 374 O ALA A 35 11.045 -4.252 -12.079 1.00 64.15 O ATOM 375 CB ALA A 35 12.909 -1.518 -11.678 1.00 44.23 C ATOM 0 H ALA A 35 12.165 -0.507 -13.799 1.00 1.11 H new ATOM 0 HA ALA A 35 13.032 -3.112 -13.099 1.00 43.12 H new ATOM 0 HB1 ALA A 35 13.101 -2.159 -10.818 1.00 44.23 H new ATOM 0 HB2 ALA A 35 13.844 -1.069 -12.012 1.00 44.23 H new ATOM 0 HB3 ALA A 35 12.209 -0.731 -11.396 1.00 44.23 H new ATOM 381 N VAL A 36 9.959 -2.287 -12.224 1.00 5.44 N ATOM 382 CA VAL A 36 8.682 -2.835 -11.784 1.00 60.12 C ATOM 383 C VAL A 36 8.102 -3.782 -12.829 1.00 52.40 C ATOM 384 O VAL A 36 7.554 -4.832 -12.494 1.00 12.21 O ATOM 385 CB VAL A 36 7.661 -1.718 -11.496 1.00 22.53 C ATOM 386 CG1 VAL A 36 8.101 -0.889 -10.299 1.00 50.21 C ATOM 387 CG2 VAL A 36 7.472 -0.840 -12.723 1.00 72.12 C ATOM 0 H VAL A 36 9.940 -1.289 -12.432 1.00 5.44 H new ATOM 0 HA VAL A 36 8.874 -3.387 -10.864 1.00 60.12 H new ATOM 0 HB VAL A 36 6.702 -2.178 -11.256 1.00 22.53 H new ATOM 0 HG11 VAL A 36 7.368 -0.105 -10.110 1.00 50.21 H new ATOM 0 HG12 VAL A 36 8.180 -1.531 -9.421 1.00 50.21 H new ATOM 0 HG13 VAL A 36 9.071 -0.437 -10.506 1.00 50.21 H new ATOM 0 HG21 VAL A 36 6.747 -0.056 -12.502 1.00 72.12 H new ATOM 0 HG22 VAL A 36 8.425 -0.387 -12.996 1.00 72.12 H new ATOM 0 HG23 VAL A 36 7.108 -1.447 -13.552 1.00 72.12 H new ATOM 397 N ARG A 37 8.227 -3.403 -14.097 1.00 15.22 N ATOM 398 CA ARG A 37 7.714 -4.218 -15.192 1.00 13.44 C ATOM 399 C ARG A 37 8.441 -5.557 -15.259 1.00 64.15 C ATOM 400 O ARG A 37 7.829 -6.598 -15.500 1.00 53.14 O ATOM 401 CB ARG A 37 7.863 -3.476 -16.521 1.00 44.21 C ATOM 402 CG ARG A 37 7.191 -4.178 -17.689 1.00 60.14 C ATOM 403 CD ARG A 37 7.412 -3.427 -18.993 1.00 12.41 C ATOM 404 NE ARG A 37 8.479 -4.021 -19.793 1.00 42.13 N ATOM 405 CZ ARG A 37 8.697 -3.719 -21.068 1.00 74.15 C ATOM 406 NH1 ARG A 37 7.925 -2.834 -21.685 1.00 32.43 N ATOM 407 NH2 ARG A 37 9.688 -4.302 -21.730 1.00 22.32 N ATOM 0 H ARG A 37 8.679 -2.537 -14.391 1.00 15.22 H new ATOM 0 HA ARG A 37 6.657 -4.408 -15.007 1.00 13.44 H new ATOM 0 HB2 ARG A 37 7.442 -2.476 -16.418 1.00 44.21 H new ATOM 0 HB3 ARG A 37 8.923 -3.354 -16.743 1.00 44.21 H new ATOM 0 HG2 ARG A 37 7.583 -5.191 -17.780 1.00 60.14 H new ATOM 0 HG3 ARG A 37 6.122 -4.266 -17.495 1.00 60.14 H new ATOM 0 HD2 ARG A 37 6.487 -3.422 -19.569 1.00 12.41 H new ATOM 0 HD3 ARG A 37 7.658 -2.388 -18.775 1.00 12.41 H new ATOM 0 HE ARG A 37 9.091 -4.706 -19.348 1.00 42.13 H new ATOM 0 HH11 ARG A 37 7.162 -2.383 -21.180 1.00 32.43 H new ATOM 0 HH12 ARG A 37 8.095 -2.604 -22.664 1.00 32.43 H new ATOM 0 HH21 ARG A 37 10.284 -4.983 -21.260 1.00 22.32 H new ATOM 0 HH22 ARG A 37 9.854 -4.069 -22.709 1.00 22.32 H new ATOM 421 N THR A 38 9.753 -5.524 -15.046 1.00 2.21 N ATOM 422 CA THR A 38 10.565 -6.734 -15.084 1.00 52.43 C ATOM 423 C THR A 38 10.293 -7.617 -13.872 1.00 74.12 C ATOM 424 O THR A 38 10.291 -8.844 -13.973 1.00 21.22 O ATOM 425 CB THR A 38 12.068 -6.400 -15.135 1.00 72.54 C ATOM 426 OG1 THR A 38 12.389 -5.432 -14.131 1.00 24.23 O ATOM 427 CG2 THR A 38 12.457 -5.866 -16.505 1.00 43.33 C ATOM 0 H THR A 38 10.276 -4.672 -14.845 1.00 2.21 H new ATOM 0 HA THR A 38 10.289 -7.272 -15.991 1.00 52.43 H new ATOM 0 HB THR A 38 12.628 -7.316 -14.947 1.00 72.54 H new ATOM 0 HG1 THR A 38 12.372 -4.535 -14.525 1.00 24.23 H new ATOM 0 HG21 THR A 38 13.523 -5.637 -16.517 1.00 43.33 H new ATOM 0 HG22 THR A 38 12.239 -6.617 -17.264 1.00 43.33 H new ATOM 0 HG23 THR A 38 11.889 -4.960 -16.717 1.00 43.33 H new ATOM 435 N LYS A 39 10.062 -6.986 -12.726 1.00 33.00 N ATOM 436 CA LYS A 39 9.786 -7.714 -11.493 1.00 71.22 C ATOM 437 C LYS A 39 8.481 -8.496 -11.603 1.00 53.24 C ATOM 438 O LYS A 39 8.417 -9.671 -11.242 1.00 13.10 O ATOM 439 CB LYS A 39 9.715 -6.746 -10.310 1.00 33.30 C ATOM 440 CG LYS A 39 10.835 -6.935 -9.302 1.00 0.32 C ATOM 441 CD LYS A 39 11.819 -5.777 -9.339 1.00 32.24 C ATOM 442 CE LYS A 39 12.928 -6.021 -10.350 1.00 43.41 C ATOM 443 NZ LYS A 39 14.176 -6.507 -9.699 1.00 0.34 N ATOM 0 H LYS A 39 10.060 -5.971 -12.625 1.00 33.00 H new ATOM 0 HA LYS A 39 10.599 -8.421 -11.328 1.00 71.22 H new ATOM 0 HB2 LYS A 39 9.744 -5.723 -10.686 1.00 33.30 H new ATOM 0 HB3 LYS A 39 8.757 -6.872 -9.805 1.00 33.30 H new ATOM 0 HG2 LYS A 39 10.414 -7.024 -8.301 1.00 0.32 H new ATOM 0 HG3 LYS A 39 11.360 -7.867 -9.511 1.00 0.32 H new ATOM 0 HD2 LYS A 39 11.291 -4.857 -9.591 1.00 32.24 H new ATOM 0 HD3 LYS A 39 12.252 -5.635 -8.349 1.00 32.24 H new ATOM 0 HE2 LYS A 39 12.594 -6.752 -11.086 1.00 43.41 H new ATOM 0 HE3 LYS A 39 13.136 -5.098 -10.890 1.00 43.41 H new ATOM 0 HZ1 LYS A 39 14.907 -6.661 -10.422 1.00 0.34 H new ATOM 0 HZ2 LYS A 39 14.509 -5.798 -9.015 1.00 0.34 H new ATOM 0 HZ3 LYS A 39 13.984 -7.402 -9.205 1.00 0.34 H new ATOM 457 N VAL A 40 7.442 -7.836 -12.106 1.00 72.32 N ATOM 458 CA VAL A 40 6.139 -8.470 -12.267 1.00 33.44 C ATOM 459 C VAL A 40 6.170 -9.519 -13.373 1.00 40.31 C ATOM 460 O VAL A 40 5.569 -10.586 -13.248 1.00 31.31 O ATOM 461 CB VAL A 40 5.046 -7.434 -12.587 1.00 53.35 C ATOM 462 CG1 VAL A 40 4.861 -6.474 -11.422 1.00 31.12 C ATOM 463 CG2 VAL A 40 5.387 -6.677 -13.862 1.00 63.33 C ATOM 0 H VAL A 40 7.478 -6.863 -12.409 1.00 72.32 H new ATOM 0 HA VAL A 40 5.904 -8.954 -11.319 1.00 33.44 H new ATOM 0 HB VAL A 40 4.105 -7.962 -12.744 1.00 53.35 H new ATOM 0 HG11 VAL A 40 4.084 -5.749 -11.667 1.00 31.12 H new ATOM 0 HG12 VAL A 40 4.568 -7.033 -10.533 1.00 31.12 H new ATOM 0 HG13 VAL A 40 5.798 -5.951 -11.229 1.00 31.12 H new ATOM 0 HG21 VAL A 40 4.604 -5.949 -14.073 1.00 63.33 H new ATOM 0 HG22 VAL A 40 6.338 -6.160 -13.735 1.00 63.33 H new ATOM 0 HG23 VAL A 40 5.463 -7.379 -14.692 1.00 63.33 H new ATOM 473 N CYS A 41 6.875 -9.207 -14.455 1.00 74.43 N ATOM 474 CA CYS A 41 6.985 -10.123 -15.585 1.00 55.05 C ATOM 475 C CYS A 41 7.650 -11.429 -15.164 1.00 71.23 C ATOM 476 O CYS A 41 7.189 -12.514 -15.518 1.00 65.13 O ATOM 477 CB CYS A 41 7.780 -9.474 -16.719 1.00 11.30 C ATOM 478 SG CYS A 41 6.795 -8.401 -17.791 1.00 64.34 S ATOM 0 H CYS A 41 7.378 -8.328 -14.574 1.00 74.43 H new ATOM 0 HA CYS A 41 5.978 -10.347 -15.939 1.00 55.05 H new ATOM 0 HB2 CYS A 41 8.595 -8.891 -16.290 1.00 11.30 H new ATOM 0 HB3 CYS A 41 8.234 -10.258 -17.325 1.00 11.30 H new ATOM 0 HG CYS A 41 6.774 -7.198 -17.300 1.00 64.34 H new ATOM 484 N ALA A 42 8.737 -11.317 -14.408 1.00 13.53 N ATOM 485 CA ALA A 42 9.465 -12.488 -13.938 1.00 64.31 C ATOM 486 C ALA A 42 8.625 -13.302 -12.960 1.00 73.12 C ATOM 487 O ALA A 42 8.653 -14.532 -12.978 1.00 35.21 O ATOM 488 CB ALA A 42 10.776 -12.069 -13.289 1.00 21.42 C ATOM 0 H ALA A 42 9.133 -10.426 -14.108 1.00 13.53 H new ATOM 0 HA ALA A 42 9.684 -13.119 -14.800 1.00 64.31 H new ATOM 0 HB1 ALA A 42 11.310 -12.954 -12.942 1.00 21.42 H new ATOM 0 HB2 ALA A 42 11.389 -11.538 -14.017 1.00 21.42 H new ATOM 0 HB3 ALA A 42 10.570 -11.415 -12.442 1.00 21.42 H new ATOM 494 N MET A 43 7.879 -12.607 -12.108 1.00 33.12 N ATOM 495 CA MET A 43 7.030 -13.267 -11.122 1.00 55.45 C ATOM 496 C MET A 43 6.008 -14.171 -11.804 1.00 15.00 C ATOM 497 O MET A 43 5.580 -15.178 -11.239 1.00 61.13 O ATOM 498 CB MET A 43 6.312 -12.227 -10.259 1.00 24.44 C ATOM 499 CG MET A 43 6.340 -12.549 -8.773 1.00 50.31 C ATOM 500 SD MET A 43 7.845 -11.971 -7.965 1.00 61.24 S ATOM 501 CE MET A 43 7.336 -11.988 -6.248 1.00 55.33 C ATOM 0 H MET A 43 7.845 -11.588 -12.080 1.00 33.12 H new ATOM 0 HA MET A 43 7.665 -13.882 -10.485 1.00 55.45 H new ATOM 0 HB2 MET A 43 6.772 -11.252 -10.420 1.00 24.44 H new ATOM 0 HB3 MET A 43 5.275 -12.148 -10.586 1.00 24.44 H new ATOM 0 HG2 MET A 43 5.475 -12.094 -8.290 1.00 50.31 H new ATOM 0 HG3 MET A 43 6.250 -13.627 -8.637 1.00 50.31 H new ATOM 0 HE1 MET A 43 8.162 -11.654 -5.620 1.00 55.33 H new ATOM 0 HE2 MET A 43 6.485 -11.320 -6.114 1.00 55.33 H new ATOM 0 HE3 MET A 43 7.050 -13.001 -5.963 1.00 55.33 H new ATOM 511 N LYS A 44 5.619 -13.805 -13.021 1.00 31.22 N ATOM 512 CA LYS A 44 4.648 -14.583 -13.781 1.00 33.45 C ATOM 513 C LYS A 44 5.347 -15.499 -14.781 1.00 14.41 C ATOM 514 O LYS A 44 4.714 -16.348 -15.409 1.00 13.31 O ATOM 515 CB LYS A 44 3.680 -13.653 -14.514 1.00 54.25 C ATOM 516 CG LYS A 44 3.092 -12.567 -13.630 1.00 40.53 C ATOM 517 CD LYS A 44 2.041 -13.125 -12.685 1.00 43.41 C ATOM 518 CE LYS A 44 2.672 -13.696 -11.425 1.00 25.12 C ATOM 519 NZ LYS A 44 1.927 -13.295 -10.200 1.00 13.11 N ATOM 0 H LYS A 44 5.962 -12.974 -13.502 1.00 31.22 H new ATOM 0 HA LYS A 44 4.087 -15.201 -13.080 1.00 33.45 H new ATOM 0 HB2 LYS A 44 4.201 -13.187 -15.350 1.00 54.25 H new ATOM 0 HB3 LYS A 44 2.868 -14.246 -14.935 1.00 54.25 H new ATOM 0 HG2 LYS A 44 3.888 -12.096 -13.053 1.00 40.53 H new ATOM 0 HG3 LYS A 44 2.647 -11.791 -14.253 1.00 40.53 H new ATOM 0 HD2 LYS A 44 1.337 -12.337 -12.416 1.00 43.41 H new ATOM 0 HD3 LYS A 44 1.470 -13.903 -13.192 1.00 43.41 H new ATOM 0 HE2 LYS A 44 2.699 -14.784 -11.494 1.00 25.12 H new ATOM 0 HE3 LYS A 44 3.705 -13.355 -11.350 1.00 25.12 H new ATOM 0 HZ1 LYS A 44 2.600 -12.992 -9.468 1.00 13.11 H new ATOM 0 HZ2 LYS A 44 1.285 -12.509 -10.426 1.00 13.11 H new ATOM 0 HZ3 LYS A 44 1.375 -14.103 -9.849 1.00 13.11 H new ATOM 533 N LYS A 45 6.656 -15.321 -14.923 1.00 73.45 N ATOM 534 CA LYS A 45 7.442 -16.133 -15.845 1.00 41.42 C ATOM 535 C LYS A 45 6.997 -15.904 -17.286 1.00 64.43 C ATOM 536 O LYS A 45 6.638 -16.847 -17.993 1.00 23.43 O ATOM 537 CB LYS A 45 7.313 -17.615 -15.489 1.00 63.42 C ATOM 538 CG LYS A 45 7.497 -17.904 -14.009 1.00 40.04 C ATOM 539 CD LYS A 45 8.559 -18.965 -13.776 1.00 20.32 C ATOM 540 CE LYS A 45 9.959 -18.371 -13.814 1.00 73.25 C ATOM 541 NZ LYS A 45 10.945 -19.227 -13.098 1.00 75.12 N ATOM 0 H LYS A 45 7.195 -14.622 -14.412 1.00 73.45 H new ATOM 0 HA LYS A 45 8.486 -15.834 -15.754 1.00 41.42 H new ATOM 0 HB2 LYS A 45 6.331 -17.971 -15.801 1.00 63.42 H new ATOM 0 HB3 LYS A 45 8.052 -18.182 -16.056 1.00 63.42 H new ATOM 0 HG2 LYS A 45 7.777 -16.987 -13.490 1.00 40.04 H new ATOM 0 HG3 LYS A 45 6.551 -18.235 -13.582 1.00 40.04 H new ATOM 0 HD2 LYS A 45 8.392 -19.443 -12.811 1.00 20.32 H new ATOM 0 HD3 LYS A 45 8.472 -19.742 -14.536 1.00 20.32 H new ATOM 0 HE2 LYS A 45 10.272 -18.246 -14.850 1.00 73.25 H new ATOM 0 HE3 LYS A 45 9.945 -17.379 -13.363 1.00 73.25 H new ATOM 0 HZ1 LYS A 45 11.886 -18.788 -13.147 1.00 75.12 H new ATOM 0 HZ2 LYS A 45 10.660 -19.326 -12.103 1.00 75.12 H new ATOM 0 HZ3 LYS A 45 10.978 -20.166 -13.544 1.00 75.12 H new ATOM 555 N LEU A 46 7.025 -14.648 -17.717 1.00 70.10 N ATOM 556 CA LEU A 46 6.626 -14.296 -19.075 1.00 60.14 C ATOM 557 C LEU A 46 7.725 -13.506 -19.778 1.00 43.03 C ATOM 558 O LEU A 46 8.611 -12.930 -19.146 1.00 70.11 O ATOM 559 CB LEU A 46 5.331 -13.482 -19.053 1.00 4.41 C ATOM 560 CG LEU A 46 4.044 -14.259 -19.331 1.00 44.00 C ATOM 561 CD1 LEU A 46 3.594 -15.009 -18.087 1.00 2.42 C ATOM 562 CD2 LEU A 46 2.949 -13.321 -19.816 1.00 50.23 C ATOM 0 H LEU A 46 7.320 -13.856 -17.146 1.00 70.10 H new ATOM 0 HA LEU A 46 6.457 -15.220 -19.628 1.00 60.14 H new ATOM 0 HB2 LEU A 46 5.241 -13.007 -18.076 1.00 4.41 H new ATOM 0 HB3 LEU A 46 5.415 -12.683 -19.790 1.00 4.41 H new ATOM 0 HG LEU A 46 4.245 -14.988 -20.117 1.00 44.00 H new ATOM 0 HD11 LEU A 46 2.677 -15.556 -18.304 1.00 2.42 H new ATOM 0 HD12 LEU A 46 4.372 -15.710 -17.784 1.00 2.42 H new ATOM 0 HD13 LEU A 46 3.411 -14.299 -17.280 1.00 2.42 H new ATOM 0 HD21 LEU A 46 2.040 -13.891 -20.009 1.00 50.23 H new ATOM 0 HD22 LEU A 46 2.750 -12.569 -19.053 1.00 50.23 H new ATOM 0 HD23 LEU A 46 3.271 -12.830 -20.734 1.00 50.23 H new ATOM 574 N PRO A 47 7.668 -13.475 -21.118 1.00 13.10 N ATOM 575 CA PRO A 47 8.649 -12.756 -21.936 1.00 21.00 C ATOM 576 C PRO A 47 8.522 -11.243 -21.798 1.00 12.23 C ATOM 577 O PRO A 47 7.542 -10.636 -22.231 1.00 43.21 O ATOM 578 CB PRO A 47 8.309 -13.193 -23.363 1.00 44.01 C ATOM 579 CG PRO A 47 6.869 -13.571 -23.311 1.00 24.31 C ATOM 580 CD PRO A 47 6.640 -14.139 -21.937 1.00 51.44 C ATOM 0 HA PRO A 47 9.673 -12.983 -21.638 1.00 21.00 H new ATOM 0 HB2 PRO A 47 8.481 -12.386 -24.076 1.00 44.01 H new ATOM 0 HB3 PRO A 47 8.928 -14.033 -23.678 1.00 44.01 H new ATOM 0 HG2 PRO A 47 6.231 -12.705 -23.486 1.00 24.31 H new ATOM 0 HG3 PRO A 47 6.630 -14.304 -24.081 1.00 24.31 H new ATOM 0 HD2 PRO A 47 5.635 -13.922 -21.575 1.00 51.44 H new ATOM 0 HD3 PRO A 47 6.755 -15.223 -21.926 1.00 51.44 H new ATOM 588 N PRO A 48 9.535 -10.617 -21.180 1.00 13.00 N ATOM 589 CA PRO A 48 9.559 -9.166 -20.971 1.00 64.24 C ATOM 590 C PRO A 48 9.749 -8.396 -22.274 1.00 71.40 C ATOM 591 O PRO A 48 9.121 -7.360 -22.491 1.00 12.14 O ATOM 592 CB PRO A 48 10.763 -8.961 -20.049 1.00 5.21 C ATOM 593 CG PRO A 48 11.649 -10.128 -20.317 1.00 23.33 C ATOM 594 CD PRO A 48 10.734 -11.277 -20.638 1.00 61.41 C ATOM 0 HA PRO A 48 8.620 -8.798 -20.557 1.00 64.24 H new ATOM 0 HB2 PRO A 48 11.271 -8.021 -20.264 1.00 5.21 H new ATOM 0 HB3 PRO A 48 10.459 -8.927 -19.003 1.00 5.21 H new ATOM 0 HG2 PRO A 48 12.324 -9.923 -21.148 1.00 23.33 H new ATOM 0 HG3 PRO A 48 12.270 -10.354 -19.450 1.00 23.33 H new ATOM 0 HD2 PRO A 48 11.181 -11.956 -21.364 1.00 61.41 H new ATOM 0 HD3 PRO A 48 10.502 -11.866 -19.751 1.00 61.41 H new ATOM 602 N ASP A 49 10.617 -8.910 -23.138 1.00 45.21 N ATOM 603 CA ASP A 49 10.888 -8.271 -24.421 1.00 24.12 C ATOM 604 C ASP A 49 9.726 -8.477 -25.387 1.00 32.13 C ATOM 605 O ASP A 49 9.637 -7.813 -26.420 1.00 63.12 O ATOM 606 CB ASP A 49 12.177 -8.826 -25.029 1.00 24.11 C ATOM 607 CG ASP A 49 13.418 -8.184 -24.440 1.00 64.24 C ATOM 608 OD1 ASP A 49 13.459 -7.993 -23.207 1.00 60.12 O ATOM 609 OD2 ASP A 49 14.349 -7.872 -25.213 1.00 73.12 O ATOM 0 H ASP A 49 11.145 -9.767 -22.974 1.00 45.21 H new ATOM 0 HA ASP A 49 11.008 -7.202 -24.248 1.00 24.12 H new ATOM 0 HB2 ASP A 49 12.217 -9.903 -24.867 1.00 24.11 H new ATOM 0 HB3 ASP A 49 12.165 -8.666 -26.107 1.00 24.11 H new ATOM 614 N THR A 50 8.835 -9.403 -25.044 1.00 42.22 N ATOM 615 CA THR A 50 7.679 -9.698 -25.881 1.00 64.34 C ATOM 616 C THR A 50 6.382 -9.297 -25.189 1.00 40.41 C ATOM 617 O THR A 50 5.304 -9.776 -25.541 1.00 14.00 O ATOM 618 CB THR A 50 7.614 -11.195 -26.241 1.00 41.41 C ATOM 619 OG1 THR A 50 8.937 -11.736 -26.328 1.00 50.20 O ATOM 620 CG2 THR A 50 6.888 -11.403 -27.562 1.00 11.54 C ATOM 0 H THR A 50 8.892 -9.961 -24.192 1.00 42.22 H new ATOM 0 HA THR A 50 7.794 -9.116 -26.795 1.00 64.34 H new ATOM 0 HB THR A 50 7.062 -11.711 -25.456 1.00 41.41 H new ATOM 0 HG1 THR A 50 8.887 -12.688 -26.555 1.00 50.20 H new ATOM 0 HG21 THR A 50 6.855 -12.467 -27.795 1.00 11.54 H new ATOM 0 HG22 THR A 50 5.872 -11.017 -27.483 1.00 11.54 H new ATOM 0 HG23 THR A 50 7.417 -10.874 -28.355 1.00 11.54 H new ATOM 628 N THR A 51 6.492 -8.413 -24.202 1.00 42.32 N ATOM 629 CA THR A 51 5.328 -7.947 -23.460 1.00 13.40 C ATOM 630 C THR A 51 5.441 -6.461 -23.136 1.00 34.41 C ATOM 631 O THR A 51 6.533 -5.952 -22.887 1.00 44.02 O ATOM 632 CB THR A 51 5.145 -8.734 -22.149 1.00 22.12 C ATOM 633 OG1 THR A 51 3.840 -8.495 -21.611 1.00 52.32 O ATOM 634 CG2 THR A 51 6.200 -8.337 -21.128 1.00 4.14 C ATOM 0 H THR A 51 7.376 -8.005 -23.898 1.00 42.32 H new ATOM 0 HA THR A 51 4.460 -8.112 -24.098 1.00 13.40 H new ATOM 0 HB THR A 51 5.257 -9.795 -22.370 1.00 22.12 H new ATOM 0 HG1 THR A 51 3.327 -7.936 -22.232 1.00 52.32 H new ATOM 0 HG21 THR A 51 6.050 -8.906 -20.210 1.00 4.14 H new ATOM 0 HG22 THR A 51 7.192 -8.548 -21.528 1.00 4.14 H new ATOM 0 HG23 THR A 51 6.115 -7.272 -20.912 1.00 4.14 H new ATOM 642 N ARG A 52 4.305 -5.772 -23.140 1.00 15.31 N ATOM 643 CA ARG A 52 4.277 -4.344 -22.847 1.00 14.24 C ATOM 644 C ARG A 52 3.423 -4.058 -21.615 1.00 33.54 C ATOM 645 O ARG A 52 2.652 -4.910 -21.169 1.00 52.15 O ATOM 646 CB ARG A 52 3.735 -3.565 -24.047 1.00 62.41 C ATOM 647 CG ARG A 52 4.515 -2.297 -24.353 1.00 22.24 C ATOM 648 CD ARG A 52 3.682 -1.311 -25.156 1.00 42.20 C ATOM 649 NE ARG A 52 3.380 -1.812 -26.494 1.00 34.21 N ATOM 650 CZ ARG A 52 3.028 -1.031 -27.509 1.00 60.23 C ATOM 651 NH1 ARG A 52 2.936 0.281 -27.340 1.00 71.41 N ATOM 652 NH2 ARG A 52 2.768 -1.562 -28.697 1.00 64.23 N ATOM 0 H ARG A 52 3.392 -6.179 -23.343 1.00 15.31 H new ATOM 0 HA ARG A 52 5.298 -4.021 -22.644 1.00 14.24 H new ATOM 0 HB2 ARG A 52 3.749 -4.211 -24.925 1.00 62.41 H new ATOM 0 HB3 ARG A 52 2.693 -3.304 -23.860 1.00 62.41 H new ATOM 0 HG2 ARG A 52 4.834 -1.831 -23.421 1.00 22.24 H new ATOM 0 HG3 ARG A 52 5.418 -2.549 -24.909 1.00 22.24 H new ATOM 0 HD2 ARG A 52 2.751 -1.107 -24.627 1.00 42.20 H new ATOM 0 HD3 ARG A 52 4.217 -0.365 -25.235 1.00 42.20 H new ATOM 0 HE ARG A 52 3.443 -2.817 -26.658 1.00 34.21 H new ATOM 0 HH11 ARG A 52 3.136 0.693 -26.429 1.00 71.41 H new ATOM 0 HH12 ARG A 52 2.665 0.878 -28.121 1.00 71.41 H new ATOM 0 HH21 ARG A 52 2.838 -2.571 -28.831 1.00 64.23 H new ATOM 0 HH22 ARG A 52 2.498 -0.961 -29.476 1.00 64.23 H new ATOM 666 N LEU A 53 3.565 -2.856 -21.068 1.00 24.21 N ATOM 667 CA LEU A 53 2.808 -2.458 -19.887 1.00 34.03 C ATOM 668 C LEU A 53 2.270 -1.039 -20.038 1.00 14.32 C ATOM 669 O LEU A 53 3.008 -0.116 -20.385 1.00 20.31 O ATOM 670 CB LEU A 53 3.686 -2.553 -18.638 1.00 15.54 C ATOM 671 CG LEU A 53 3.220 -1.742 -17.427 1.00 70.41 C ATOM 672 CD1 LEU A 53 1.786 -2.099 -17.066 1.00 4.24 C ATOM 673 CD2 LEU A 53 4.145 -1.976 -16.241 1.00 52.04 C ATOM 0 H LEU A 53 4.198 -2.140 -21.424 1.00 24.21 H new ATOM 0 HA LEU A 53 1.963 -3.138 -19.781 1.00 34.03 H new ATOM 0 HB2 LEU A 53 3.754 -3.601 -18.344 1.00 15.54 H new ATOM 0 HB3 LEU A 53 4.693 -2.230 -18.901 1.00 15.54 H new ATOM 0 HG LEU A 53 3.255 -0.684 -17.686 1.00 70.41 H new ATOM 0 HD11 LEU A 53 1.471 -1.513 -16.203 1.00 4.24 H new ATOM 0 HD12 LEU A 53 1.133 -1.880 -17.911 1.00 4.24 H new ATOM 0 HD13 LEU A 53 1.725 -3.160 -16.826 1.00 4.24 H new ATOM 0 HD21 LEU A 53 3.799 -1.392 -15.389 1.00 52.04 H new ATOM 0 HD22 LEU A 53 4.142 -3.034 -15.981 1.00 52.04 H new ATOM 0 HD23 LEU A 53 5.158 -1.670 -16.503 1.00 52.04 H new ATOM 685 N THR A 54 0.978 -0.870 -19.773 1.00 12.41 N ATOM 686 CA THR A 54 0.341 0.437 -19.878 1.00 73.12 C ATOM 687 C THR A 54 -0.398 0.794 -18.593 1.00 71.54 C ATOM 688 O THR A 54 -1.115 -0.033 -18.029 1.00 13.45 O ATOM 689 CB THR A 54 -0.650 0.486 -21.057 1.00 22.41 C ATOM 690 OG1 THR A 54 -1.633 -0.545 -20.913 1.00 74.11 O ATOM 691 CG2 THR A 54 0.078 0.318 -22.382 1.00 73.13 C ATOM 0 H THR A 54 0.352 -1.622 -19.484 1.00 12.41 H new ATOM 0 HA THR A 54 1.136 1.163 -20.050 1.00 73.12 H new ATOM 0 HB THR A 54 -1.141 1.459 -21.051 1.00 22.41 H new ATOM 0 HG1 THR A 54 -2.260 -0.506 -21.665 1.00 74.11 H new ATOM 0 HG21 THR A 54 -0.642 0.356 -23.200 1.00 73.13 H new ATOM 0 HG22 THR A 54 0.806 1.121 -22.502 1.00 73.13 H new ATOM 0 HG23 THR A 54 0.592 -0.643 -22.395 1.00 73.13 H new ATOM 699 N TYR A 55 -0.219 2.028 -18.137 1.00 12.01 N ATOM 700 CA TYR A 55 -0.868 2.493 -16.917 1.00 11.31 C ATOM 701 C TYR A 55 -1.735 3.718 -17.194 1.00 21.11 C ATOM 702 O TYR A 55 -1.274 4.702 -17.774 1.00 34.52 O ATOM 703 CB TYR A 55 0.179 2.826 -15.853 1.00 31.05 C ATOM 704 CG TYR A 55 -0.393 3.520 -14.637 1.00 42.20 C ATOM 705 CD1 TYR A 55 -1.592 3.102 -14.074 1.00 32.22 C ATOM 706 CD2 TYR A 55 0.266 4.595 -14.052 1.00 74.14 C ATOM 707 CE1 TYR A 55 -2.119 3.733 -12.964 1.00 2.43 C ATOM 708 CE2 TYR A 55 -0.253 5.232 -12.941 1.00 62.54 C ATOM 709 CZ TYR A 55 -1.445 4.797 -12.401 1.00 12.31 C ATOM 710 OH TYR A 55 -1.966 5.430 -11.295 1.00 64.31 O ATOM 0 H TYR A 55 0.370 2.725 -18.593 1.00 12.01 H new ATOM 0 HA TYR A 55 -1.509 1.692 -16.549 1.00 11.31 H new ATOM 0 HB2 TYR A 55 0.670 1.905 -15.538 1.00 31.05 H new ATOM 0 HB3 TYR A 55 0.946 3.461 -16.296 1.00 31.05 H new ATOM 0 HD1 TYR A 55 -2.122 2.269 -14.512 1.00 32.22 H new ATOM 0 HD2 TYR A 55 1.199 4.938 -14.473 1.00 74.14 H new ATOM 0 HE1 TYR A 55 -3.053 3.396 -12.539 1.00 2.43 H new ATOM 0 HE2 TYR A 55 0.272 6.066 -12.498 1.00 62.54 H new ATOM 0 HH TYR A 55 -1.423 5.214 -10.508 1.00 64.31 H new ATOM 720 N LYS A 56 -2.994 3.651 -16.774 1.00 62.52 N ATOM 721 CA LYS A 56 -3.927 4.753 -16.974 1.00 33.43 C ATOM 722 C LYS A 56 -4.011 5.135 -18.448 1.00 60.30 C ATOM 723 O LYS A 56 -4.191 6.303 -18.787 1.00 54.41 O ATOM 724 CB LYS A 56 -3.500 5.966 -16.145 1.00 13.22 C ATOM 725 CG LYS A 56 -4.625 6.954 -15.888 1.00 74.14 C ATOM 726 CD LYS A 56 -5.277 6.718 -14.536 1.00 50.11 C ATOM 727 CE LYS A 56 -6.580 5.946 -14.673 1.00 14.04 C ATOM 728 NZ LYS A 56 -7.481 6.167 -13.507 1.00 65.00 N ATOM 0 H LYS A 56 -3.392 2.844 -16.293 1.00 62.52 H new ATOM 0 HA LYS A 56 -4.913 4.425 -16.646 1.00 33.43 H new ATOM 0 HB2 LYS A 56 -3.105 5.621 -15.189 1.00 13.22 H new ATOM 0 HB3 LYS A 56 -2.687 6.479 -16.659 1.00 13.22 H new ATOM 0 HG2 LYS A 56 -4.235 7.971 -15.932 1.00 74.14 H new ATOM 0 HG3 LYS A 56 -5.374 6.866 -16.675 1.00 74.14 H new ATOM 0 HD2 LYS A 56 -4.592 6.167 -13.892 1.00 50.11 H new ATOM 0 HD3 LYS A 56 -5.469 7.675 -14.051 1.00 50.11 H new ATOM 0 HE2 LYS A 56 -7.088 6.251 -15.588 1.00 14.04 H new ATOM 0 HE3 LYS A 56 -6.363 4.882 -14.768 1.00 14.04 H new ATOM 0 HZ1 LYS A 56 -8.358 5.624 -13.638 1.00 65.00 H new ATOM 0 HZ2 LYS A 56 -7.006 5.853 -12.637 1.00 65.00 H new ATOM 0 HZ3 LYS A 56 -7.708 7.179 -13.431 1.00 65.00 H new ATOM 742 N GLY A 57 -3.880 4.140 -19.321 1.00 41.30 N ATOM 743 CA GLY A 57 -3.945 4.393 -20.749 1.00 0.14 C ATOM 744 C GLY A 57 -2.714 5.110 -21.267 1.00 70.32 C ATOM 745 O GLY A 57 -2.716 5.633 -22.382 1.00 24.14 O ATOM 0 H GLY A 57 -3.730 3.164 -19.065 1.00 41.30 H new ATOM 0 HA2 GLY A 57 -4.060 3.447 -21.278 1.00 0.14 H new ATOM 0 HA3 GLY A 57 -4.830 4.991 -20.969 1.00 0.14 H new ATOM 749 N ARG A 58 -1.661 5.135 -20.457 1.00 1.40 N ATOM 750 CA ARG A 58 -0.419 5.796 -20.839 1.00 63.03 C ATOM 751 C ARG A 58 0.759 4.829 -20.758 1.00 32.04 C ATOM 752 O ARG A 58 0.729 3.862 -19.997 1.00 0.11 O ATOM 753 CB ARG A 58 -0.162 7.006 -19.940 1.00 0.34 C ATOM 754 CG ARG A 58 -0.015 8.312 -20.703 1.00 14.40 C ATOM 755 CD ARG A 58 1.446 8.659 -20.938 1.00 44.23 C ATOM 756 NE ARG A 58 1.634 9.441 -22.157 1.00 50.24 N ATOM 757 CZ ARG A 58 2.713 10.177 -22.400 1.00 11.24 C ATOM 758 NH1 ARG A 58 3.696 10.231 -21.511 1.00 52.04 N ATOM 759 NH2 ARG A 58 2.810 10.861 -23.533 1.00 4.15 N ATOM 0 H ARG A 58 -1.643 4.705 -19.532 1.00 1.40 H new ATOM 0 HA ARG A 58 -0.520 6.134 -21.870 1.00 63.03 H new ATOM 0 HB2 ARG A 58 -0.983 7.101 -19.229 1.00 0.34 H new ATOM 0 HB3 ARG A 58 0.744 6.831 -19.359 1.00 0.34 H new ATOM 0 HG2 ARG A 58 -0.530 8.235 -21.660 1.00 14.40 H new ATOM 0 HG3 ARG A 58 -0.496 9.116 -20.146 1.00 14.40 H new ATOM 0 HD2 ARG A 58 1.827 9.220 -20.085 1.00 44.23 H new ATOM 0 HD3 ARG A 58 2.031 7.741 -21.002 1.00 44.23 H new ATOM 0 HE ARG A 58 0.896 9.421 -22.861 1.00 50.24 H new ATOM 0 HH11 ARG A 58 3.624 9.707 -20.639 1.00 52.04 H new ATOM 0 HH12 ARG A 58 4.524 10.797 -21.699 1.00 52.04 H new ATOM 0 HH21 ARG A 58 2.056 10.822 -24.218 1.00 4.15 H new ATOM 0 HH22 ARG A 58 3.639 11.426 -23.718 1.00 4.15 H new ATOM 773 N ALA A 59 1.794 5.097 -21.547 1.00 11.22 N ATOM 774 CA ALA A 59 2.982 4.252 -21.563 1.00 14.24 C ATOM 775 C ALA A 59 4.131 4.907 -20.804 1.00 62.11 C ATOM 776 O ALA A 59 4.464 6.069 -21.043 1.00 22.54 O ATOM 777 CB ALA A 59 3.396 3.951 -22.995 1.00 72.22 C ATOM 0 H ALA A 59 1.834 5.893 -22.184 1.00 11.22 H new ATOM 0 HA ALA A 59 2.738 3.315 -21.063 1.00 14.24 H new ATOM 0 HB1 ALA A 59 4.284 3.319 -22.992 1.00 72.22 H new ATOM 0 HB2 ALA A 59 2.585 3.434 -23.507 1.00 72.22 H new ATOM 0 HB3 ALA A 59 3.616 4.884 -23.514 1.00 72.22 H new ATOM 783 N LEU A 60 4.734 4.155 -19.889 1.00 51.53 N ATOM 784 CA LEU A 60 5.847 4.663 -19.095 1.00 11.34 C ATOM 785 C LEU A 60 7.082 3.784 -19.263 1.00 50.21 C ATOM 786 O LEU A 60 6.975 2.595 -19.562 1.00 31.42 O ATOM 787 CB LEU A 60 5.454 4.734 -17.618 1.00 25.52 C ATOM 788 CG LEU A 60 4.286 5.659 -17.277 1.00 42.30 C ATOM 789 CD1 LEU A 60 3.055 4.849 -16.901 1.00 3.22 C ATOM 790 CD2 LEU A 60 4.668 6.607 -16.150 1.00 2.24 C ATOM 0 H LEU A 60 4.471 3.192 -19.679 1.00 51.53 H new ATOM 0 HA LEU A 60 6.087 5.665 -19.450 1.00 11.34 H new ATOM 0 HB2 LEU A 60 5.205 3.728 -17.280 1.00 25.52 H new ATOM 0 HB3 LEU A 60 6.325 5.056 -17.046 1.00 25.52 H new ATOM 0 HG LEU A 60 4.049 6.253 -18.160 1.00 42.30 H new ATOM 0 HD11 LEU A 60 2.234 5.525 -16.662 1.00 3.22 H new ATOM 0 HD12 LEU A 60 2.769 4.212 -17.738 1.00 3.22 H new ATOM 0 HD13 LEU A 60 3.279 4.228 -16.033 1.00 3.22 H new ATOM 0 HD21 LEU A 60 3.824 7.258 -15.921 1.00 2.24 H new ATOM 0 HD22 LEU A 60 4.933 6.030 -15.264 1.00 2.24 H new ATOM 0 HD23 LEU A 60 5.521 7.213 -16.457 1.00 2.24 H new ATOM 802 N LYS A 61 8.255 4.377 -19.067 1.00 51.05 N ATOM 803 CA LYS A 61 9.512 3.648 -19.194 1.00 15.51 C ATOM 804 C LYS A 61 10.670 4.458 -18.619 1.00 72.42 C ATOM 805 O LYS A 61 11.148 4.179 -17.520 1.00 5.34 O ATOM 806 CB LYS A 61 9.787 3.316 -20.662 1.00 53.12 C ATOM 807 CG LYS A 61 9.028 4.199 -21.638 1.00 45.11 C ATOM 808 CD LYS A 61 9.513 3.999 -23.064 1.00 63.41 C ATOM 809 CE LYS A 61 8.915 2.746 -23.685 1.00 70.32 C ATOM 810 NZ LYS A 61 8.659 2.917 -25.142 1.00 70.22 N ATOM 0 H LYS A 61 8.362 5.361 -18.820 1.00 51.05 H new ATOM 0 HA LYS A 61 9.424 2.720 -18.629 1.00 15.51 H new ATOM 0 HB2 LYS A 61 10.856 3.412 -20.854 1.00 53.12 H new ATOM 0 HB3 LYS A 61 9.523 2.275 -20.846 1.00 53.12 H new ATOM 0 HG2 LYS A 61 7.963 3.975 -21.580 1.00 45.11 H new ATOM 0 HG3 LYS A 61 9.150 5.244 -21.355 1.00 45.11 H new ATOM 0 HD2 LYS A 61 9.246 4.868 -23.666 1.00 63.41 H new ATOM 0 HD3 LYS A 61 10.601 3.927 -23.073 1.00 63.41 H new ATOM 0 HE2 LYS A 61 9.592 1.906 -23.531 1.00 70.32 H new ATOM 0 HE3 LYS A 61 7.982 2.500 -23.179 1.00 70.32 H new ATOM 0 HZ1 LYS A 61 8.252 2.041 -25.528 1.00 70.22 H new ATOM 0 HZ2 LYS A 61 7.993 3.702 -25.288 1.00 70.22 H new ATOM 0 HZ3 LYS A 61 9.553 3.127 -25.629 1.00 70.22 H new ATOM 824 N ASP A 62 11.114 5.460 -19.369 1.00 4.21 N ATOM 825 CA ASP A 62 12.215 6.312 -18.932 1.00 70.45 C ATOM 826 C ASP A 62 11.749 7.299 -17.867 1.00 32.31 C ATOM 827 O ASP A 62 12.552 8.033 -17.291 1.00 2.31 O ATOM 828 CB ASP A 62 12.806 7.068 -20.123 1.00 55.42 C ATOM 829 CG ASP A 62 14.309 6.900 -20.228 1.00 75.15 C ATOM 830 OD1 ASP A 62 14.804 5.791 -19.935 1.00 13.40 O ATOM 831 OD2 ASP A 62 14.990 7.876 -20.605 1.00 54.23 O ATOM 0 H ASP A 62 10.729 5.703 -20.282 1.00 4.21 H new ATOM 0 HA ASP A 62 12.985 5.675 -18.498 1.00 70.45 H new ATOM 0 HB2 ASP A 62 12.339 6.714 -21.042 1.00 55.42 H new ATOM 0 HB3 ASP A 62 12.567 8.128 -20.032 1.00 55.42 H new ATOM 836 N THR A 63 10.445 7.312 -17.610 1.00 34.15 N ATOM 837 CA THR A 63 9.871 8.210 -16.615 1.00 73.04 C ATOM 838 C THR A 63 10.476 7.964 -15.238 1.00 41.41 C ATOM 839 O THR A 63 10.396 8.817 -14.355 1.00 2.14 O ATOM 840 CB THR A 63 8.341 8.048 -16.528 1.00 25.31 C ATOM 841 OG1 THR A 63 7.864 7.294 -17.648 1.00 51.42 O ATOM 842 CG2 THR A 63 7.654 9.404 -16.493 1.00 4.44 C ATOM 0 H THR A 63 9.766 6.711 -18.077 1.00 34.15 H new ATOM 0 HA THR A 63 10.104 9.226 -16.935 1.00 73.04 H new ATOM 0 HB THR A 63 8.106 7.516 -15.606 1.00 25.31 H new ATOM 0 HG1 THR A 63 7.021 7.680 -17.967 1.00 51.42 H new ATOM 0 HG21 THR A 63 6.575 9.264 -16.432 1.00 4.44 H new ATOM 0 HG22 THR A 63 7.997 9.963 -15.623 1.00 4.44 H new ATOM 0 HG23 THR A 63 7.897 9.958 -17.400 1.00 4.44 H new ATOM 850 N GLU A 64 11.082 6.794 -15.063 1.00 13.00 N ATOM 851 CA GLU A 64 11.701 6.438 -13.792 1.00 35.44 C ATOM 852 C GLU A 64 10.662 6.394 -12.674 1.00 60.14 C ATOM 853 O GLU A 64 10.137 5.331 -12.339 1.00 42.42 O ATOM 854 CB GLU A 64 12.804 7.437 -13.438 1.00 61.23 C ATOM 855 CG GLU A 64 13.391 7.230 -12.052 1.00 41.51 C ATOM 856 CD GLU A 64 14.709 7.956 -11.863 1.00 22.22 C ATOM 857 OE1 GLU A 64 14.683 9.135 -11.453 1.00 51.53 O ATOM 858 OE2 GLU A 64 15.766 7.345 -12.124 1.00 62.21 O ATOM 0 H GLU A 64 11.157 6.077 -15.785 1.00 13.00 H new ATOM 0 HA GLU A 64 12.140 5.446 -13.897 1.00 35.44 H new ATOM 0 HB2 GLU A 64 13.602 7.361 -14.176 1.00 61.23 H new ATOM 0 HB3 GLU A 64 12.402 8.448 -13.506 1.00 61.23 H new ATOM 0 HG2 GLU A 64 12.678 7.577 -11.304 1.00 41.51 H new ATOM 0 HG3 GLU A 64 13.540 6.164 -11.880 1.00 41.51 H new ATOM 865 N THR A 65 10.370 7.557 -12.100 1.00 70.10 N ATOM 866 CA THR A 65 9.396 7.653 -11.020 1.00 24.43 C ATOM 867 C THR A 65 8.076 8.229 -11.519 1.00 23.34 C ATOM 868 O THR A 65 8.049 9.013 -12.468 1.00 13.21 O ATOM 869 CB THR A 65 9.922 8.527 -9.866 1.00 11.41 C ATOM 870 OG1 THR A 65 8.888 8.731 -8.896 1.00 5.32 O ATOM 871 CG2 THR A 65 10.410 9.872 -10.385 1.00 33.42 C ATOM 0 H THR A 65 10.794 8.446 -12.365 1.00 70.10 H new ATOM 0 HA THR A 65 9.230 6.640 -10.653 1.00 24.43 H new ATOM 0 HB THR A 65 10.760 8.009 -9.400 1.00 11.41 H new ATOM 0 HG1 THR A 65 9.231 9.286 -8.165 1.00 5.32 H new ATOM 0 HG21 THR A 65 10.777 10.472 -9.552 1.00 33.42 H new ATOM 0 HG22 THR A 65 11.216 9.715 -11.102 1.00 33.42 H new ATOM 0 HG23 THR A 65 9.587 10.394 -10.873 1.00 33.42 H new ATOM 879 N LEU A 66 6.983 7.836 -10.874 1.00 5.05 N ATOM 880 CA LEU A 66 5.658 8.315 -11.252 1.00 23.44 C ATOM 881 C LEU A 66 5.123 9.306 -10.223 1.00 21.52 C ATOM 882 O LEU A 66 4.034 9.854 -10.384 1.00 74.03 O ATOM 883 CB LEU A 66 4.691 7.138 -11.394 1.00 41.15 C ATOM 884 CG LEU A 66 4.910 6.233 -12.607 1.00 23.51 C ATOM 885 CD1 LEU A 66 6.069 5.280 -12.359 1.00 22.42 C ATOM 886 CD2 LEU A 66 3.641 5.458 -12.931 1.00 12.42 C ATOM 0 H LEU A 66 6.988 7.187 -10.087 1.00 5.05 H new ATOM 0 HA LEU A 66 5.743 8.826 -12.211 1.00 23.44 H new ATOM 0 HB2 LEU A 66 4.758 6.528 -10.493 1.00 41.15 H new ATOM 0 HB3 LEU A 66 3.675 7.531 -11.438 1.00 41.15 H new ATOM 0 HG LEU A 66 5.158 6.860 -13.464 1.00 23.51 H new ATOM 0 HD11 LEU A 66 6.210 4.644 -13.233 1.00 22.42 H new ATOM 0 HD12 LEU A 66 6.978 5.853 -12.176 1.00 22.42 H new ATOM 0 HD13 LEU A 66 5.850 4.660 -11.490 1.00 22.42 H new ATOM 0 HD21 LEU A 66 3.816 4.819 -13.797 1.00 12.42 H new ATOM 0 HD22 LEU A 66 3.363 4.842 -12.076 1.00 12.42 H new ATOM 0 HD23 LEU A 66 2.834 6.157 -13.153 1.00 12.42 H new ATOM 898 N GLU A 67 5.898 9.531 -9.167 1.00 25.02 N ATOM 899 CA GLU A 67 5.502 10.457 -8.113 1.00 0.33 C ATOM 900 C GLU A 67 5.257 11.853 -8.679 1.00 4.22 C ATOM 901 O GLU A 67 4.382 12.580 -8.210 1.00 54.01 O ATOM 902 CB GLU A 67 6.577 10.517 -7.025 1.00 54.20 C ATOM 903 CG GLU A 67 6.342 11.612 -5.998 1.00 4.02 C ATOM 904 CD GLU A 67 6.722 11.185 -4.593 1.00 61.02 C ATOM 905 OE1 GLU A 67 7.764 10.513 -4.439 1.00 54.13 O ATOM 906 OE2 GLU A 67 5.978 11.522 -3.649 1.00 24.05 O ATOM 0 H GLU A 67 6.803 9.085 -9.019 1.00 25.02 H new ATOM 0 HA GLU A 67 4.573 10.093 -7.675 1.00 0.33 H new ATOM 0 HB2 GLU A 67 6.620 9.555 -6.515 1.00 54.20 H new ATOM 0 HB3 GLU A 67 7.549 10.673 -7.494 1.00 54.20 H new ATOM 0 HG2 GLU A 67 6.919 12.494 -6.274 1.00 4.02 H new ATOM 0 HG3 GLU A 67 5.291 11.901 -6.014 1.00 4.02 H new ATOM 913 N SER A 68 6.039 12.221 -9.689 1.00 74.35 N ATOM 914 CA SER A 68 5.911 13.531 -10.317 1.00 73.43 C ATOM 915 C SER A 68 4.631 13.614 -11.144 1.00 43.03 C ATOM 916 O SER A 68 4.146 14.704 -11.451 1.00 64.14 O ATOM 917 CB SER A 68 7.124 13.815 -11.204 1.00 42.14 C ATOM 918 OG SER A 68 6.740 14.476 -12.397 1.00 41.35 O ATOM 0 H SER A 68 6.768 11.631 -10.090 1.00 74.35 H new ATOM 0 HA SER A 68 5.863 14.282 -9.528 1.00 73.43 H new ATOM 0 HB2 SER A 68 7.841 14.429 -10.659 1.00 42.14 H new ATOM 0 HB3 SER A 68 7.627 12.879 -11.449 1.00 42.14 H new ATOM 0 HG SER A 68 7.534 14.648 -12.946 1.00 41.35 H new ATOM 924 N LEU A 69 4.089 12.455 -11.502 1.00 1.21 N ATOM 925 CA LEU A 69 2.865 12.395 -12.294 1.00 3.14 C ATOM 926 C LEU A 69 1.654 12.135 -11.404 1.00 54.43 C ATOM 927 O LEU A 69 0.511 12.306 -11.829 1.00 25.24 O ATOM 928 CB LEU A 69 2.976 11.301 -13.357 1.00 33.00 C ATOM 929 CG LEU A 69 4.368 11.077 -13.948 1.00 2.32 C ATOM 930 CD1 LEU A 69 4.311 10.065 -15.081 1.00 72.12 C ATOM 931 CD2 LEU A 69 4.959 12.393 -14.435 1.00 34.45 C ATOM 0 H LEU A 69 4.478 11.544 -11.257 1.00 1.21 H new ATOM 0 HA LEU A 69 2.731 13.358 -12.786 1.00 3.14 H new ATOM 0 HB2 LEU A 69 2.633 10.363 -12.921 1.00 33.00 H new ATOM 0 HB3 LEU A 69 2.292 11.543 -14.171 1.00 33.00 H new ATOM 0 HG LEU A 69 5.014 10.679 -13.165 1.00 2.32 H new ATOM 0 HD11 LEU A 69 5.311 9.919 -15.489 1.00 72.12 H new ATOM 0 HD12 LEU A 69 3.931 9.116 -14.702 1.00 72.12 H new ATOM 0 HD13 LEU A 69 3.650 10.434 -15.865 1.00 72.12 H new ATOM 0 HD21 LEU A 69 5.950 12.214 -14.852 1.00 34.45 H new ATOM 0 HD22 LEU A 69 4.313 12.820 -15.203 1.00 34.45 H new ATOM 0 HD23 LEU A 69 5.037 13.088 -13.599 1.00 34.45 H new ATOM 943 N GLY A 70 1.911 11.724 -10.167 1.00 25.54 N ATOM 944 CA GLY A 70 0.832 11.449 -9.236 1.00 42.11 C ATOM 945 C GLY A 70 0.623 9.965 -9.013 1.00 32.45 C ATOM 946 O GLY A 70 -0.115 9.315 -9.754 1.00 45.55 O ATOM 0 H GLY A 70 2.848 11.576 -9.792 1.00 25.54 H new ATOM 0 HA2 GLY A 70 1.048 11.930 -8.282 1.00 42.11 H new ATOM 0 HA3 GLY A 70 -0.091 11.890 -9.613 1.00 42.11 H new ATOM 950 N VAL A 71 1.274 9.424 -7.988 1.00 4.35 N ATOM 951 CA VAL A 71 1.157 8.007 -7.668 1.00 74.45 C ATOM 952 C VAL A 71 0.032 7.760 -6.669 1.00 23.22 C ATOM 953 O VAL A 71 -0.173 8.545 -5.744 1.00 24.25 O ATOM 954 CB VAL A 71 2.472 7.450 -7.093 1.00 21.43 C ATOM 955 CG1 VAL A 71 2.315 5.982 -6.723 1.00 52.54 C ATOM 956 CG2 VAL A 71 3.610 7.639 -8.085 1.00 12.24 C ATOM 0 H VAL A 71 1.889 9.947 -7.364 1.00 4.35 H new ATOM 0 HA VAL A 71 0.930 7.490 -8.601 1.00 74.45 H new ATOM 0 HB VAL A 71 2.715 8.004 -6.186 1.00 21.43 H new ATOM 0 HG11 VAL A 71 3.255 5.606 -6.318 1.00 52.54 H new ATOM 0 HG12 VAL A 71 1.530 5.877 -5.974 1.00 52.54 H new ATOM 0 HG13 VAL A 71 2.048 5.410 -7.611 1.00 52.54 H new ATOM 0 HG21 VAL A 71 4.532 7.240 -7.662 1.00 12.24 H new ATOM 0 HG22 VAL A 71 3.377 7.112 -9.010 1.00 12.24 H new ATOM 0 HG23 VAL A 71 3.737 8.701 -8.295 1.00 12.24 H new ATOM 966 N ALA A 72 -0.693 6.663 -6.862 1.00 14.34 N ATOM 967 CA ALA A 72 -1.796 6.311 -5.975 1.00 42.24 C ATOM 968 C ALA A 72 -1.812 4.814 -5.687 1.00 63.22 C ATOM 969 O ALA A 72 -1.437 4.005 -6.536 1.00 25.32 O ATOM 970 CB ALA A 72 -3.121 6.748 -6.582 1.00 61.11 C ATOM 0 H ALA A 72 -0.537 6.003 -7.624 1.00 14.34 H new ATOM 0 HA ALA A 72 -1.652 6.835 -5.030 1.00 42.24 H new ATOM 0 HB1 ALA A 72 -3.936 6.479 -5.910 1.00 61.11 H new ATOM 0 HB2 ALA A 72 -3.115 7.828 -6.731 1.00 61.11 H new ATOM 0 HB3 ALA A 72 -3.263 6.251 -7.541 1.00 61.11 H new ATOM 976 N ASP A 73 -2.247 4.452 -4.486 1.00 13.15 N ATOM 977 CA ASP A 73 -2.312 3.051 -4.086 1.00 13.25 C ATOM 978 C ASP A 73 -3.577 2.390 -4.625 1.00 12.35 C ATOM 979 O ASP A 73 -4.673 2.937 -4.509 1.00 50.43 O ATOM 980 CB ASP A 73 -2.269 2.931 -2.561 1.00 51.34 C ATOM 981 CG ASP A 73 -0.958 3.422 -1.979 1.00 31.30 C ATOM 982 OD1 ASP A 73 0.041 3.474 -2.727 1.00 20.13 O ATOM 983 OD2 ASP A 73 -0.931 3.754 -0.776 1.00 14.03 O ATOM 0 H ASP A 73 -2.560 5.109 -3.772 1.00 13.15 H new ATOM 0 HA ASP A 73 -1.448 2.538 -4.508 1.00 13.25 H new ATOM 0 HB2 ASP A 73 -3.091 3.503 -2.131 1.00 51.34 H new ATOM 0 HB3 ASP A 73 -2.422 1.890 -2.277 1.00 51.34 H new ATOM 988 N GLY A 74 -3.417 1.210 -5.215 1.00 23.31 N ATOM 989 CA GLY A 74 -4.554 0.494 -5.764 1.00 44.30 C ATOM 990 C GLY A 74 -4.720 0.726 -7.253 1.00 31.42 C ATOM 991 O GLY A 74 -5.800 0.511 -7.804 1.00 65.54 O ATOM 0 H GLY A 74 -2.520 0.737 -5.323 1.00 23.31 H new ATOM 0 HA2 GLY A 74 -4.433 -0.573 -5.577 1.00 44.30 H new ATOM 0 HA3 GLY A 74 -5.461 0.807 -5.247 1.00 44.30 H new ATOM 995 N ASP A 75 -3.650 1.166 -7.905 1.00 2.44 N ATOM 996 CA ASP A 75 -3.682 1.428 -9.339 1.00 20.11 C ATOM 997 C ASP A 75 -3.804 0.127 -10.126 1.00 24.20 C ATOM 998 O ASP A 75 -3.311 -0.918 -9.699 1.00 53.05 O ATOM 999 CB ASP A 75 -2.424 2.183 -9.770 1.00 3.34 C ATOM 1000 CG ASP A 75 -2.364 3.585 -9.194 1.00 73.32 C ATOM 1001 OD1 ASP A 75 -3.428 4.114 -8.812 1.00 14.04 O ATOM 1002 OD2 ASP A 75 -1.254 4.152 -9.127 1.00 42.43 O ATOM 0 H ASP A 75 -2.749 1.349 -7.463 1.00 2.44 H new ATOM 0 HA ASP A 75 -4.556 2.044 -9.551 1.00 20.11 H new ATOM 0 HB2 ASP A 75 -1.543 1.625 -9.453 1.00 3.34 H new ATOM 0 HB3 ASP A 75 -2.392 2.239 -10.858 1.00 3.34 H new ATOM 1007 N LYS A 76 -4.464 0.197 -11.277 1.00 44.10 N ATOM 1008 CA LYS A 76 -4.651 -0.974 -12.125 1.00 63.20 C ATOM 1009 C LYS A 76 -3.785 -0.883 -13.377 1.00 63.23 C ATOM 1010 O LYS A 76 -3.801 0.125 -14.083 1.00 42.34 O ATOM 1011 CB LYS A 76 -6.123 -1.114 -12.519 1.00 62.01 C ATOM 1012 CG LYS A 76 -6.542 -2.545 -12.809 1.00 23.04 C ATOM 1013 CD LYS A 76 -7.575 -2.609 -13.920 1.00 75.44 C ATOM 1014 CE LYS A 76 -8.836 -3.331 -13.469 1.00 24.54 C ATOM 1015 NZ LYS A 76 -9.724 -3.667 -14.616 1.00 13.54 N ATOM 0 H LYS A 76 -4.879 1.053 -11.644 1.00 44.10 H new ATOM 0 HA LYS A 76 -4.348 -1.854 -11.558 1.00 63.20 H new ATOM 0 HB2 LYS A 76 -6.745 -0.718 -11.716 1.00 62.01 H new ATOM 0 HB3 LYS A 76 -6.314 -0.503 -13.401 1.00 62.01 H new ATOM 0 HG2 LYS A 76 -5.667 -3.131 -13.090 1.00 23.04 H new ATOM 0 HG3 LYS A 76 -6.951 -2.996 -11.905 1.00 23.04 H new ATOM 0 HD2 LYS A 76 -7.828 -1.599 -14.241 1.00 75.44 H new ATOM 0 HD3 LYS A 76 -7.151 -3.121 -14.784 1.00 75.44 H new ATOM 0 HE2 LYS A 76 -8.562 -4.245 -12.942 1.00 24.54 H new ATOM 0 HE3 LYS A 76 -9.379 -2.705 -12.761 1.00 24.54 H new ATOM 0 HZ1 LYS A 76 -10.572 -4.158 -14.267 1.00 13.54 H new ATOM 0 HZ2 LYS A 76 -10.006 -2.793 -15.104 1.00 13.54 H new ATOM 0 HZ3 LYS A 76 -9.215 -4.285 -15.280 1.00 13.54 H new ATOM 1029 N PHE A 77 -3.030 -1.943 -13.648 1.00 34.31 N ATOM 1030 CA PHE A 77 -2.158 -1.983 -14.816 1.00 11.12 C ATOM 1031 C PHE A 77 -2.602 -3.071 -15.789 1.00 42.24 C ATOM 1032 O PHE A 77 -3.152 -4.095 -15.385 1.00 31.01 O ATOM 1033 CB PHE A 77 -0.709 -2.225 -14.388 1.00 70.35 C ATOM 1034 CG PHE A 77 -0.151 -1.136 -13.517 1.00 62.45 C ATOM 1035 CD1 PHE A 77 -0.518 -1.040 -12.185 1.00 75.00 C ATOM 1036 CD2 PHE A 77 0.742 -0.210 -14.031 1.00 0.41 C ATOM 1037 CE1 PHE A 77 -0.007 -0.038 -11.382 1.00 22.53 C ATOM 1038 CE2 PHE A 77 1.257 0.794 -13.232 1.00 64.13 C ATOM 1039 CZ PHE A 77 0.883 0.879 -11.906 1.00 21.24 C ATOM 0 H PHE A 77 -3.005 -2.786 -13.074 1.00 34.31 H new ATOM 0 HA PHE A 77 -2.224 -1.020 -15.322 1.00 11.12 H new ATOM 0 HB2 PHE A 77 -0.650 -3.173 -13.853 1.00 70.35 H new ATOM 0 HB3 PHE A 77 -0.087 -2.322 -15.278 1.00 70.35 H new ATOM 0 HD1 PHE A 77 -1.211 -1.756 -11.769 1.00 75.00 H new ATOM 0 HD2 PHE A 77 1.039 -0.273 -15.067 1.00 0.41 H new ATOM 0 HE1 PHE A 77 -0.303 0.028 -10.346 1.00 22.53 H new ATOM 0 HE2 PHE A 77 1.951 1.511 -13.645 1.00 64.13 H new ATOM 0 HZ PHE A 77 1.286 1.661 -11.279 1.00 21.24 H new ATOM 1049 N VAL A 78 -2.359 -2.840 -17.076 1.00 23.42 N ATOM 1050 CA VAL A 78 -2.732 -3.800 -18.108 1.00 51.22 C ATOM 1051 C VAL A 78 -1.504 -4.310 -18.855 1.00 15.53 C ATOM 1052 O VAL A 78 -0.723 -3.526 -19.396 1.00 13.33 O ATOM 1053 CB VAL A 78 -3.715 -3.181 -19.120 1.00 63.34 C ATOM 1054 CG1 VAL A 78 -4.222 -4.240 -20.088 1.00 10.23 C ATOM 1055 CG2 VAL A 78 -4.872 -2.510 -18.397 1.00 11.13 C ATOM 0 H VAL A 78 -1.906 -1.997 -17.428 1.00 23.42 H new ATOM 0 HA VAL A 78 -3.218 -4.635 -17.603 1.00 51.22 H new ATOM 0 HB VAL A 78 -3.187 -2.421 -19.695 1.00 63.34 H new ATOM 0 HG11 VAL A 78 -4.915 -3.784 -20.795 1.00 10.23 H new ATOM 0 HG12 VAL A 78 -3.380 -4.670 -20.631 1.00 10.23 H new ATOM 0 HG13 VAL A 78 -4.735 -5.025 -19.532 1.00 10.23 H new ATOM 0 HG21 VAL A 78 -5.556 -2.078 -19.127 1.00 11.13 H new ATOM 0 HG22 VAL A 78 -5.402 -3.248 -17.795 1.00 11.13 H new ATOM 0 HG23 VAL A 78 -4.488 -1.722 -17.749 1.00 11.13 H new ATOM 1065 N LEU A 79 -1.340 -5.627 -18.881 1.00 21.41 N ATOM 1066 CA LEU A 79 -0.207 -6.244 -19.562 1.00 44.41 C ATOM 1067 C LEU A 79 -0.646 -6.896 -20.869 1.00 20.32 C ATOM 1068 O LEU A 79 -1.632 -7.634 -20.905 1.00 4.42 O ATOM 1069 CB LEU A 79 0.454 -7.284 -18.656 1.00 42.11 C ATOM 1070 CG LEU A 79 1.978 -7.381 -18.745 1.00 54.04 C ATOM 1071 CD1 LEU A 79 2.620 -6.051 -18.382 1.00 35.12 C ATOM 1072 CD2 LEU A 79 2.495 -8.490 -17.841 1.00 63.12 C ATOM 0 H LEU A 79 -1.977 -6.289 -18.438 1.00 21.41 H new ATOM 0 HA LEU A 79 0.516 -5.462 -19.793 1.00 44.41 H new ATOM 0 HB2 LEU A 79 0.184 -7.061 -17.624 1.00 42.11 H new ATOM 0 HB3 LEU A 79 0.033 -8.262 -18.892 1.00 42.11 H new ATOM 0 HG LEU A 79 2.248 -7.622 -19.773 1.00 54.04 H new ATOM 0 HD11 LEU A 79 3.704 -6.139 -18.451 1.00 35.12 H new ATOM 0 HD12 LEU A 79 2.274 -5.280 -19.071 1.00 35.12 H new ATOM 0 HD13 LEU A 79 2.342 -5.779 -17.364 1.00 35.12 H new ATOM 0 HD21 LEU A 79 3.581 -8.545 -17.917 1.00 63.12 H new ATOM 0 HD22 LEU A 79 2.214 -8.279 -16.809 1.00 63.12 H new ATOM 0 HD23 LEU A 79 2.061 -9.442 -18.148 1.00 63.12 H new ATOM 1084 N ILE A 80 0.092 -6.622 -21.939 1.00 5.02 N ATOM 1085 CA ILE A 80 -0.219 -7.185 -23.246 1.00 74.44 C ATOM 1086 C ILE A 80 0.879 -8.135 -23.712 1.00 61.00 C ATOM 1087 O ILE A 80 2.057 -7.934 -23.414 1.00 42.05 O ATOM 1088 CB ILE A 80 -0.411 -6.082 -24.304 1.00 4.13 C ATOM 1089 CG1 ILE A 80 -0.954 -6.679 -25.603 1.00 73.23 C ATOM 1090 CG2 ILE A 80 0.903 -5.357 -24.556 1.00 70.14 C ATOM 1091 CD1 ILE A 80 -2.302 -7.348 -25.444 1.00 25.25 C ATOM 0 H ILE A 80 0.910 -6.013 -21.926 1.00 5.02 H new ATOM 0 HA ILE A 80 -1.152 -7.738 -23.136 1.00 74.44 H new ATOM 0 HB ILE A 80 -1.136 -5.360 -23.928 1.00 4.13 H new ATOM 0 HG12 ILE A 80 -1.035 -5.889 -26.350 1.00 73.23 H new ATOM 0 HG13 ILE A 80 -0.239 -7.407 -25.985 1.00 73.23 H new ATOM 0 HG21 ILE A 80 0.752 -4.580 -25.306 1.00 70.14 H new ATOM 0 HG22 ILE A 80 1.252 -4.903 -23.628 1.00 70.14 H new ATOM 0 HG23 ILE A 80 1.648 -6.068 -24.915 1.00 70.14 H new ATOM 0 HD11 ILE A 80 -2.625 -7.748 -26.405 1.00 25.25 H new ATOM 0 HD12 ILE A 80 -2.222 -8.160 -24.721 1.00 25.25 H new ATOM 0 HD13 ILE A 80 -3.031 -6.618 -25.091 1.00 25.25 H new ATOM 1103 N THR A 81 0.486 -9.171 -24.447 1.00 22.24 N ATOM 1104 CA THR A 81 1.437 -10.152 -24.955 1.00 33.24 C ATOM 1105 C THR A 81 1.364 -10.253 -26.474 1.00 12.21 C ATOM 1106 O THR A 81 0.278 -10.246 -27.054 1.00 42.25 O ATOM 1107 CB THR A 81 1.185 -11.545 -24.347 1.00 24.04 C ATOM 1108 OG1 THR A 81 2.265 -12.426 -24.677 1.00 3.34 O ATOM 1109 CG2 THR A 81 -0.125 -12.129 -24.854 1.00 3.42 C ATOM 0 H THR A 81 -0.484 -9.352 -24.704 1.00 22.24 H new ATOM 0 HA THR A 81 2.430 -9.810 -24.664 1.00 33.24 H new ATOM 0 HB THR A 81 1.121 -11.438 -23.264 1.00 24.04 H new ATOM 0 HG1 THR A 81 2.098 -13.309 -24.286 1.00 3.34 H new ATOM 0 HG21 THR A 81 -0.281 -13.113 -24.411 1.00 3.42 H new ATOM 0 HG22 THR A 81 -0.948 -11.471 -24.576 1.00 3.42 H new ATOM 0 HG23 THR A 81 -0.086 -12.222 -25.939 1.00 3.42 H new ATOM 1117 N ARG A 82 2.526 -10.347 -27.112 1.00 75.14 N ATOM 1118 CA ARG A 82 2.593 -10.449 -28.565 1.00 52.22 C ATOM 1119 C ARG A 82 2.856 -11.888 -28.998 1.00 22.21 C ATOM 1120 O ARG A 82 3.606 -12.617 -28.347 1.00 42.22 O ATOM 1121 CB ARG A 82 3.689 -9.532 -29.112 1.00 33.02 C ATOM 1122 CG ARG A 82 3.449 -8.059 -28.825 1.00 44.31 C ATOM 1123 CD ARG A 82 4.065 -7.175 -29.899 1.00 25.15 C ATOM 1124 NE ARG A 82 3.156 -6.115 -30.323 1.00 53.51 N ATOM 1125 CZ ARG A 82 3.535 -5.067 -31.047 1.00 12.04 C ATOM 1126 NH1 ARG A 82 4.799 -4.941 -31.425 1.00 4.25 N ATOM 1127 NH2 ARG A 82 2.648 -4.143 -31.394 1.00 71.21 N ATOM 0 H ARG A 82 3.433 -10.355 -26.646 1.00 75.14 H new ATOM 0 HA ARG A 82 1.631 -10.136 -28.971 1.00 52.22 H new ATOM 0 HB2 ARG A 82 4.646 -9.826 -28.681 1.00 33.02 H new ATOM 0 HB3 ARG A 82 3.767 -9.676 -30.190 1.00 33.02 H new ATOM 0 HG2 ARG A 82 2.377 -7.869 -28.766 1.00 44.31 H new ATOM 0 HG3 ARG A 82 3.872 -7.803 -27.854 1.00 44.31 H new ATOM 0 HD2 ARG A 82 4.986 -6.732 -29.520 1.00 25.15 H new ATOM 0 HD3 ARG A 82 4.336 -7.786 -30.760 1.00 25.15 H new ATOM 0 HE ARG A 82 2.176 -6.182 -30.049 1.00 53.51 H new ATOM 0 HH11 ARG A 82 5.484 -5.649 -31.160 1.00 4.25 H new ATOM 0 HH12 ARG A 82 5.087 -4.136 -31.981 1.00 4.25 H new ATOM 0 HH21 ARG A 82 1.674 -4.237 -31.105 1.00 71.21 H new ATOM 0 HH22 ARG A 82 2.940 -3.339 -31.950 1.00 71.21 H new ATOM 1141 N THR A 83 2.234 -12.293 -30.101 1.00 15.33 N ATOM 1142 CA THR A 83 2.399 -13.645 -30.620 1.00 12.54 C ATOM 1143 C THR A 83 3.195 -13.641 -31.919 1.00 62.13 C ATOM 1144 O THR A 83 2.791 -13.024 -32.905 1.00 44.11 O ATOM 1145 CB THR A 83 1.038 -14.322 -30.867 1.00 15.33 C ATOM 1146 OG1 THR A 83 0.275 -14.345 -29.655 1.00 31.31 O ATOM 1147 CG2 THR A 83 1.225 -15.741 -31.382 1.00 13.22 C ATOM 0 H THR A 83 1.611 -11.703 -30.652 1.00 15.33 H new ATOM 0 HA THR A 83 2.945 -14.209 -29.864 1.00 12.54 H new ATOM 0 HB THR A 83 0.502 -13.746 -31.622 1.00 15.33 H new ATOM 0 HG1 THR A 83 -0.590 -14.775 -29.821 1.00 31.31 H new ATOM 0 HG21 THR A 83 0.250 -16.199 -31.549 1.00 13.22 H new ATOM 0 HG22 THR A 83 1.780 -15.718 -32.320 1.00 13.22 H new ATOM 0 HG23 THR A 83 1.779 -16.325 -30.647 1.00 13.22 H new ATOM 1155 N VAL A 84 4.329 -14.335 -31.915 1.00 41.11 N ATOM 1156 CA VAL A 84 5.182 -14.413 -33.095 1.00 72.22 C ATOM 1157 C VAL A 84 4.922 -15.696 -33.877 1.00 30.13 C ATOM 1158 O VAL A 84 4.987 -15.711 -35.105 1.00 71.12 O ATOM 1159 CB VAL A 84 6.673 -14.350 -32.715 1.00 41.32 C ATOM 1160 CG1 VAL A 84 7.545 -14.444 -33.958 1.00 3.52 C ATOM 1161 CG2 VAL A 84 6.971 -13.075 -31.940 1.00 30.43 C ATOM 0 H VAL A 84 4.678 -14.851 -31.108 1.00 41.11 H new ATOM 0 HA VAL A 84 4.937 -13.554 -33.720 1.00 72.22 H new ATOM 0 HB VAL A 84 6.903 -15.201 -32.074 1.00 41.32 H new ATOM 0 HG11 VAL A 84 8.595 -14.398 -33.670 1.00 3.52 H new ATOM 0 HG12 VAL A 84 7.350 -15.387 -34.469 1.00 3.52 H new ATOM 0 HG13 VAL A 84 7.315 -13.615 -34.627 1.00 3.52 H new ATOM 0 HG21 VAL A 84 8.029 -13.047 -31.679 1.00 30.43 H new ATOM 0 HG22 VAL A 84 6.725 -12.209 -32.555 1.00 30.43 H new ATOM 0 HG23 VAL A 84 6.372 -13.054 -31.029 1.00 30.43 H new ATOM 1171 N GLY A 85 4.627 -16.773 -33.155 1.00 34.11 N ATOM 1172 CA GLY A 85 4.361 -18.047 -33.798 1.00 12.25 C ATOM 1173 C GLY A 85 4.337 -19.199 -32.813 1.00 64.21 C ATOM 1174 O GLY A 85 5.177 -20.097 -32.879 1.00 34.33 O ATOM 0 H GLY A 85 4.567 -16.786 -32.137 1.00 34.11 H new ATOM 0 HA2 GLY A 85 3.404 -17.996 -34.316 1.00 12.25 H new ATOM 0 HA3 GLY A 85 5.123 -18.235 -34.554 1.00 12.25 H new TER 1178 GLY A 85