USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 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 Set 1.1: A 41 CYS SG : rot 86:sc= 0.181 USER MOD Set 1.2: A 51 THR OG1 : rot -167:sc= 0.204 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 USER MOD Single : A 30 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.39) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.467 USER MOD Single : A 38 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 56:sc= 0.262 USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 55 TYR OH : rot -39:sc= -0.345 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 180:sc= 0.0182 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 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 1.633 1.565 -2.334 1.00 22.10 N ATOM 2 CA MET A 9 1.523 0.452 -1.398 1.00 5.45 C ATOM 3 C MET A 9 1.470 -0.879 -2.139 1.00 73.34 C ATOM 4 O MET A 9 2.399 -1.683 -2.062 1.00 31.34 O ATOM 5 CB MET A 9 0.278 0.614 -0.524 1.00 73.24 C ATOM 6 CG MET A 9 0.555 1.280 0.814 1.00 64.44 C ATOM 7 SD MET A 9 0.893 0.089 2.125 1.00 45.11 S ATOM 8 CE MET A 9 2.390 0.776 2.829 1.00 43.53 C ATOM 0 HA MET A 9 2.408 0.457 -0.761 1.00 5.45 H new ATOM 0 HB2 MET A 9 -0.462 1.202 -1.067 1.00 73.24 H new ATOM 0 HB3 MET A 9 -0.162 -0.368 -0.347 1.00 73.24 H new ATOM 0 HG2 MET A 9 1.406 1.953 0.711 1.00 64.44 H new ATOM 0 HG3 MET A 9 -0.302 1.891 1.096 1.00 64.44 H new ATOM 0 HE1 MET A 9 2.725 0.149 3.655 1.00 43.53 H new ATOM 0 HE2 MET A 9 3.167 0.815 2.065 1.00 43.53 H new ATOM 0 HE3 MET A 9 2.191 1.783 3.196 1.00 43.53 H new ATOM 18 N LYS A 10 0.376 -1.107 -2.859 1.00 31.14 N ATOM 19 CA LYS A 10 0.200 -2.341 -3.616 1.00 5.23 C ATOM 20 C LYS A 10 -0.203 -2.043 -5.056 1.00 54.50 C ATOM 21 O LYS A 10 -0.796 -1.002 -5.341 1.00 52.42 O ATOM 22 CB LYS A 10 -0.857 -3.225 -2.951 1.00 61.21 C ATOM 23 CG LYS A 10 -0.313 -4.074 -1.815 1.00 70.53 C ATOM 24 CD LYS A 10 -0.772 -5.519 -1.930 1.00 3.43 C ATOM 25 CE LYS A 10 0.196 -6.467 -1.239 1.00 62.21 C ATOM 26 NZ LYS A 10 0.578 -7.607 -2.118 1.00 45.44 N ATOM 0 H LYS A 10 -0.403 -0.452 -2.934 1.00 31.14 H new ATOM 0 HA LYS A 10 1.153 -2.871 -3.627 1.00 5.23 H new ATOM 0 HB2 LYS A 10 -1.659 -2.593 -2.569 1.00 61.21 H new ATOM 0 HB3 LYS A 10 -1.297 -3.879 -3.704 1.00 61.21 H new ATOM 0 HG2 LYS A 10 0.776 -4.036 -1.820 1.00 70.53 H new ATOM 0 HG3 LYS A 10 -0.642 -3.661 -0.861 1.00 70.53 H new ATOM 0 HD2 LYS A 10 -1.763 -5.623 -1.488 1.00 3.43 H new ATOM 0 HD3 LYS A 10 -0.861 -5.791 -2.982 1.00 3.43 H new ATOM 0 HE2 LYS A 10 1.091 -5.920 -0.944 1.00 62.21 H new ATOM 0 HE3 LYS A 10 -0.260 -6.849 -0.326 1.00 62.21 H new ATOM 0 HZ1 LYS A 10 1.238 -8.230 -1.611 1.00 45.44 H new ATOM 0 HZ2 LYS A 10 -0.273 -8.144 -2.380 1.00 45.44 H new ATOM 0 HZ3 LYS A 10 1.036 -7.244 -2.978 1.00 45.44 H new ATOM 40 N ILE A 11 0.120 -2.962 -5.959 1.00 31.22 N ATOM 41 CA ILE A 11 -0.212 -2.798 -7.369 1.00 1.14 C ATOM 42 C ILE A 11 -0.816 -4.075 -7.944 1.00 1.44 C ATOM 43 O ILE A 11 -0.425 -5.182 -7.573 1.00 1.41 O ATOM 44 CB ILE A 11 1.027 -2.411 -8.197 1.00 63.23 C ATOM 45 CG1 ILE A 11 0.660 -2.288 -9.677 1.00 52.34 C ATOM 46 CG2 ILE A 11 2.134 -3.437 -8.005 1.00 5.45 C ATOM 47 CD1 ILE A 11 1.764 -1.698 -10.527 1.00 13.00 C ATOM 0 H ILE A 11 0.612 -3.828 -5.740 1.00 31.22 H new ATOM 0 HA ILE A 11 -0.945 -1.994 -7.429 1.00 1.14 H new ATOM 0 HB ILE A 11 1.390 -1.444 -7.850 1.00 63.23 H new ATOM 0 HG12 ILE A 11 0.404 -3.275 -10.063 1.00 52.34 H new ATOM 0 HG13 ILE A 11 -0.231 -1.668 -9.772 1.00 52.34 H new ATOM 0 HG21 ILE A 11 3.003 -3.150 -8.597 1.00 5.45 H new ATOM 0 HG22 ILE A 11 2.411 -3.481 -6.952 1.00 5.45 H new ATOM 0 HG23 ILE A 11 1.782 -4.417 -8.329 1.00 5.45 H new ATOM 0 HD11 ILE A 11 1.434 -1.641 -11.564 1.00 13.00 H new ATOM 0 HD12 ILE A 11 2.005 -0.698 -10.167 1.00 13.00 H new ATOM 0 HD13 ILE A 11 2.650 -2.330 -10.463 1.00 13.00 H new ATOM 59 N LYS A 12 -1.771 -3.913 -8.853 1.00 63.14 N ATOM 60 CA LYS A 12 -2.428 -5.052 -9.484 1.00 11.23 C ATOM 61 C LYS A 12 -2.189 -5.053 -10.990 1.00 42.22 C ATOM 62 O LYS A 12 -2.604 -4.132 -11.694 1.00 43.33 O ATOM 63 CB LYS A 12 -3.931 -5.023 -9.195 1.00 63.33 C ATOM 64 CG LYS A 12 -4.266 -4.720 -7.745 1.00 71.32 C ATOM 65 CD LYS A 12 -5.717 -5.044 -7.429 1.00 43.10 C ATOM 66 CE LYS A 12 -5.891 -6.505 -7.044 1.00 24.01 C ATOM 67 NZ LYS A 12 -6.649 -7.264 -8.076 1.00 71.33 N ATOM 0 H LYS A 12 -2.108 -3.004 -9.170 1.00 63.14 H new ATOM 0 HA LYS A 12 -2.001 -5.964 -9.066 1.00 11.23 H new ATOM 0 HB2 LYS A 12 -4.400 -4.273 -9.832 1.00 63.33 H new ATOM 0 HB3 LYS A 12 -4.363 -5.987 -9.465 1.00 63.33 H new ATOM 0 HG2 LYS A 12 -3.612 -5.298 -7.091 1.00 71.32 H new ATOM 0 HG3 LYS A 12 -4.074 -3.667 -7.538 1.00 71.32 H new ATOM 0 HD2 LYS A 12 -6.064 -4.408 -6.614 1.00 43.10 H new ATOM 0 HD3 LYS A 12 -6.338 -4.819 -8.296 1.00 43.10 H new ATOM 0 HE2 LYS A 12 -4.912 -6.962 -6.903 1.00 24.01 H new ATOM 0 HE3 LYS A 12 -6.413 -6.569 -6.089 1.00 24.01 H new ATOM 0 HZ1 LYS A 12 -6.746 -8.255 -7.776 1.00 71.33 H new ATOM 0 HZ2 LYS A 12 -7.593 -6.843 -8.193 1.00 71.33 H new ATOM 0 HZ3 LYS A 12 -6.138 -7.224 -8.981 1.00 71.33 H new ATOM 81 N ILE A 13 -1.519 -6.092 -11.478 1.00 13.24 N ATOM 82 CA ILE A 13 -1.228 -6.213 -12.901 1.00 1.33 C ATOM 83 C ILE A 13 -1.851 -7.476 -13.484 1.00 75.11 C ATOM 84 O ILE A 13 -1.475 -8.591 -13.123 1.00 20.12 O ATOM 85 CB ILE A 13 0.289 -6.233 -13.165 1.00 22.30 C ATOM 86 CG1 ILE A 13 0.567 -6.448 -14.654 1.00 74.13 C ATOM 87 CG2 ILE A 13 0.957 -7.319 -12.334 1.00 72.03 C ATOM 88 CD1 ILE A 13 1.702 -5.601 -15.186 1.00 32.32 C ATOM 0 H ILE A 13 -1.168 -6.862 -10.909 1.00 13.24 H new ATOM 0 HA ILE A 13 -1.662 -5.339 -13.387 1.00 1.33 H new ATOM 0 HB ILE A 13 0.706 -5.270 -12.872 1.00 22.30 H new ATOM 0 HG12 ILE A 13 0.799 -7.499 -14.824 1.00 74.13 H new ATOM 0 HG13 ILE A 13 -0.338 -6.226 -15.220 1.00 74.13 H new ATOM 0 HG21 ILE A 13 2.029 -7.321 -12.532 1.00 72.03 H new ATOM 0 HG22 ILE A 13 0.783 -7.126 -11.275 1.00 72.03 H new ATOM 0 HG23 ILE A 13 0.538 -8.290 -12.599 1.00 72.03 H new ATOM 0 HD11 ILE A 13 1.842 -5.806 -16.247 1.00 32.32 H new ATOM 0 HD12 ILE A 13 1.464 -4.546 -15.048 1.00 32.32 H new ATOM 0 HD13 ILE A 13 2.618 -5.840 -14.646 1.00 32.32 H new ATOM 100 N VAL A 14 -2.807 -7.294 -14.390 1.00 43.14 N ATOM 101 CA VAL A 14 -3.481 -8.419 -15.027 1.00 51.11 C ATOM 102 C VAL A 14 -3.016 -8.594 -16.468 1.00 72.23 C ATOM 103 O VAL A 14 -3.321 -7.788 -17.347 1.00 44.35 O ATOM 104 CB VAL A 14 -5.011 -8.238 -15.011 1.00 23.51 C ATOM 105 CG1 VAL A 14 -5.394 -6.877 -15.571 1.00 61.34 C ATOM 106 CG2 VAL A 14 -5.687 -9.355 -15.792 1.00 23.32 C ATOM 0 H VAL A 14 -3.132 -6.378 -14.699 1.00 43.14 H new ATOM 0 HA VAL A 14 -3.222 -9.309 -14.454 1.00 51.11 H new ATOM 0 HB VAL A 14 -5.355 -8.288 -13.978 1.00 23.51 H new ATOM 0 HG11 VAL A 14 -6.478 -6.768 -15.552 1.00 61.34 H new ATOM 0 HG12 VAL A 14 -4.939 -6.093 -14.965 1.00 61.34 H new ATOM 0 HG13 VAL A 14 -5.039 -6.793 -16.598 1.00 61.34 H new ATOM 0 HG21 VAL A 14 -6.767 -9.212 -15.771 1.00 23.32 H new ATOM 0 HG22 VAL A 14 -5.339 -9.339 -16.825 1.00 23.32 H new ATOM 0 HG23 VAL A 14 -5.439 -10.316 -15.341 1.00 23.32 H new ATOM 116 N PRO A 15 -2.261 -9.674 -16.719 1.00 44.31 N ATOM 117 CA PRO A 15 -1.738 -9.981 -18.054 1.00 20.43 C ATOM 118 C PRO A 15 -2.836 -10.404 -19.023 1.00 55.33 C ATOM 119 O PRO A 15 -3.691 -11.223 -18.689 1.00 32.43 O ATOM 120 CB PRO A 15 -0.775 -11.143 -17.798 1.00 64.12 C ATOM 121 CG PRO A 15 -1.279 -11.786 -16.553 1.00 22.43 C ATOM 122 CD PRO A 15 -1.859 -10.677 -15.719 1.00 62.33 C ATOM 0 HA PRO A 15 -1.268 -9.113 -18.518 1.00 20.43 H new ATOM 0 HB2 PRO A 15 -0.771 -11.845 -18.632 1.00 64.12 H new ATOM 0 HB3 PRO A 15 0.248 -10.789 -17.674 1.00 64.12 H new ATOM 0 HG2 PRO A 15 -2.034 -12.539 -16.781 1.00 22.43 H new ATOM 0 HG3 PRO A 15 -0.473 -12.293 -16.022 1.00 22.43 H new ATOM 0 HD2 PRO A 15 -2.709 -11.020 -15.129 1.00 62.33 H new ATOM 0 HD3 PRO A 15 -1.127 -10.275 -15.019 1.00 62.33 H new ATOM 130 N ALA A 16 -2.807 -9.839 -20.226 1.00 11.10 N ATOM 131 CA ALA A 16 -3.799 -10.159 -21.245 1.00 31.32 C ATOM 132 C ALA A 16 -3.497 -11.501 -21.903 1.00 25.22 C ATOM 133 O ALA A 16 -3.200 -11.566 -23.096 1.00 22.21 O ATOM 134 CB ALA A 16 -3.855 -9.057 -22.292 1.00 14.43 C ATOM 0 H ALA A 16 -2.107 -9.157 -20.518 1.00 11.10 H new ATOM 0 HA ALA A 16 -4.772 -10.233 -20.759 1.00 31.32 H new ATOM 0 HB1 ALA A 16 -4.600 -9.310 -23.047 1.00 14.43 H new ATOM 0 HB2 ALA A 16 -4.126 -8.115 -21.815 1.00 14.43 H new ATOM 0 HB3 ALA A 16 -2.879 -8.955 -22.766 1.00 14.43 H new ATOM 140 N VAL A 17 -3.573 -12.571 -21.117 1.00 42.14 N ATOM 141 CA VAL A 17 -3.307 -13.912 -21.624 1.00 54.02 C ATOM 142 C VAL A 17 -4.605 -14.650 -21.931 1.00 74.25 C ATOM 143 O VAL A 17 -4.870 -15.718 -21.380 1.00 52.33 O ATOM 144 CB VAL A 17 -2.485 -14.739 -20.619 1.00 22.44 C ATOM 145 CG1 VAL A 17 -1.052 -14.233 -20.557 1.00 23.45 C ATOM 146 CG2 VAL A 17 -3.132 -14.702 -19.243 1.00 13.24 C ATOM 0 H VAL A 17 -3.817 -12.535 -20.127 1.00 42.14 H new ATOM 0 HA VAL A 17 -2.732 -13.795 -22.543 1.00 54.02 H new ATOM 0 HB VAL A 17 -2.465 -15.775 -20.958 1.00 22.44 H new ATOM 0 HG11 VAL A 17 -0.486 -14.830 -19.841 1.00 23.45 H new ATOM 0 HG12 VAL A 17 -0.594 -14.317 -21.542 1.00 23.45 H new ATOM 0 HG13 VAL A 17 -1.048 -13.189 -20.243 1.00 23.45 H new ATOM 0 HG21 VAL A 17 -2.537 -15.292 -18.545 1.00 13.24 H new ATOM 0 HG22 VAL A 17 -3.185 -13.671 -18.893 1.00 13.24 H new ATOM 0 HG23 VAL A 17 -4.138 -15.117 -19.303 1.00 13.24 H new ATOM 156 N GLY A 18 -5.413 -14.073 -22.817 1.00 23.52 N ATOM 157 CA GLY A 18 -6.674 -14.691 -23.183 1.00 10.21 C ATOM 158 C GLY A 18 -7.515 -15.051 -21.975 1.00 34.23 C ATOM 159 O GLY A 18 -7.653 -16.225 -21.633 1.00 72.02 O ATOM 0 H GLY A 18 -5.216 -13.189 -23.287 1.00 23.52 H new ATOM 0 HA2 GLY A 18 -7.236 -14.011 -23.823 1.00 10.21 H new ATOM 0 HA3 GLY A 18 -6.478 -15.590 -23.767 1.00 10.21 H new ATOM 163 N GLY A 19 -8.079 -14.038 -21.324 1.00 51.31 N ATOM 164 CA GLY A 19 -8.903 -14.274 -20.153 1.00 23.41 C ATOM 165 C GLY A 19 -8.079 -14.480 -18.897 1.00 13.30 C ATOM 166 O GLY A 19 -8.530 -15.120 -17.948 1.00 55.32 O ATOM 0 H GLY A 19 -7.980 -13.058 -21.587 1.00 51.31 H new ATOM 0 HA2 GLY A 19 -9.575 -13.428 -20.009 1.00 23.41 H new ATOM 0 HA3 GLY A 19 -9.527 -15.151 -20.322 1.00 23.41 H new ATOM 170 N GLY A 20 -6.866 -13.936 -18.891 1.00 63.21 N ATOM 171 CA GLY A 20 -5.996 -14.076 -17.738 1.00 0.22 C ATOM 172 C GLY A 20 -6.628 -13.544 -16.467 1.00 33.21 C ATOM 173 O GLY A 20 -7.784 -13.120 -16.471 1.00 2.10 O ATOM 0 H GLY A 20 -6.470 -13.401 -19.664 1.00 63.21 H new ATOM 0 HA2 GLY A 20 -5.744 -15.128 -17.602 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -5.062 -13.546 -17.925 1.00 0.22 H new ATOM 177 N SER A 21 -5.870 -13.568 -15.376 1.00 31.45 N ATOM 178 CA SER A 21 -6.365 -13.090 -14.090 1.00 72.20 C ATOM 179 C SER A 21 -5.403 -12.074 -13.481 1.00 74.42 C ATOM 180 O SER A 21 -4.209 -12.055 -13.781 1.00 14.32 O ATOM 181 CB SER A 21 -6.563 -14.263 -13.127 1.00 42.25 C ATOM 182 OG SER A 21 -7.919 -14.674 -13.096 1.00 3.43 O ATOM 0 H SER A 21 -4.910 -13.913 -15.356 1.00 31.45 H new ATOM 0 HA SER A 21 -7.325 -12.601 -14.257 1.00 72.20 H new ATOM 0 HB2 SER A 21 -5.933 -15.099 -13.432 1.00 42.25 H new ATOM 0 HB3 SER A 21 -6.245 -13.973 -12.126 1.00 42.25 H new ATOM 0 HG SER A 21 -8.019 -15.425 -12.475 1.00 3.43 H new ATOM 188 N PRO A 22 -5.935 -11.209 -12.605 1.00 2.00 N ATOM 189 CA PRO A 22 -5.142 -10.174 -11.935 1.00 31.14 C ATOM 190 C PRO A 22 -4.168 -10.758 -10.917 1.00 35.13 C ATOM 191 O PRO A 22 -4.510 -11.678 -10.172 1.00 13.20 O ATOM 192 CB PRO A 22 -6.199 -9.317 -11.233 1.00 44.21 C ATOM 193 CG PRO A 22 -7.355 -10.233 -11.028 1.00 71.31 C ATOM 194 CD PRO A 22 -7.350 -11.175 -12.201 1.00 14.42 C ATOM 0 HA PRO A 22 -4.520 -9.619 -12.637 1.00 31.14 H new ATOM 0 HB2 PRO A 22 -5.828 -8.930 -10.284 1.00 44.21 H new ATOM 0 HB3 PRO A 22 -6.479 -8.457 -11.841 1.00 44.21 H new ATOM 0 HG2 PRO A 22 -7.259 -10.778 -10.089 1.00 71.31 H new ATOM 0 HG3 PRO A 22 -8.291 -9.676 -10.979 1.00 71.31 H new ATOM 0 HD2 PRO A 22 -7.712 -12.165 -11.923 1.00 14.42 H new ATOM 0 HD3 PRO A 22 -7.990 -10.816 -13.007 1.00 14.42 H new ATOM 202 N LEU A 23 -2.955 -10.219 -10.889 1.00 2.20 N ATOM 203 CA LEU A 23 -1.931 -10.686 -9.961 1.00 62.41 C ATOM 204 C LEU A 23 -1.529 -9.580 -8.991 1.00 34.35 C ATOM 205 O LEU A 23 -1.454 -8.411 -9.365 1.00 41.32 O ATOM 206 CB LEU A 23 -0.703 -11.176 -10.731 1.00 3.15 C ATOM 207 CG LEU A 23 -0.136 -12.529 -10.300 1.00 30.15 C ATOM 208 CD1 LEU A 23 0.291 -12.489 -8.840 1.00 55.03 C ATOM 209 CD2 LEU A 23 -1.159 -13.633 -10.528 1.00 4.30 C ATOM 0 H LEU A 23 -2.656 -9.458 -11.498 1.00 2.20 H new ATOM 0 HA LEU A 23 -2.347 -11.514 -9.386 1.00 62.41 H new ATOM 0 HB2 LEU A 23 -0.961 -11.233 -11.788 1.00 3.15 H new ATOM 0 HB3 LEU A 23 0.084 -10.428 -10.635 1.00 3.15 H new ATOM 0 HG LEU A 23 0.743 -12.743 -10.908 1.00 30.15 H new ATOM 0 HD11 LEU A 23 0.692 -13.461 -8.551 1.00 55.03 H new ATOM 0 HD12 LEU A 23 1.058 -11.726 -8.706 1.00 55.03 H new ATOM 0 HD13 LEU A 23 -0.570 -12.252 -8.215 1.00 55.03 H new ATOM 0 HD21 LEU A 23 -0.738 -14.589 -10.216 1.00 4.30 H new ATOM 0 HD22 LEU A 23 -2.056 -13.424 -9.945 1.00 4.30 H new ATOM 0 HD23 LEU A 23 -1.416 -13.678 -11.586 1.00 4.30 H new ATOM 221 N GLU A 24 -1.271 -9.960 -7.743 1.00 12.41 N ATOM 222 CA GLU A 24 -0.876 -8.999 -6.719 1.00 61.14 C ATOM 223 C GLU A 24 0.642 -8.958 -6.569 1.00 42.34 C ATOM 224 O GLU A 24 1.289 -9.992 -6.402 1.00 23.34 O ATOM 225 CB GLU A 24 -1.522 -9.354 -5.379 1.00 14.33 C ATOM 226 CG GLU A 24 -2.978 -8.929 -5.274 1.00 24.44 C ATOM 227 CD GLU A 24 -3.508 -9.010 -3.855 1.00 61.32 C ATOM 228 OE1 GLU A 24 -3.206 -8.099 -3.057 1.00 1.42 O ATOM 229 OE2 GLU A 24 -4.224 -9.985 -3.544 1.00 0.54 O ATOM 0 H GLU A 24 -1.328 -10.925 -7.417 1.00 12.41 H new ATOM 0 HA GLU A 24 -1.220 -8.013 -7.030 1.00 61.14 H new ATOM 0 HB2 GLU A 24 -1.455 -10.431 -5.227 1.00 14.33 H new ATOM 0 HB3 GLU A 24 -0.956 -8.883 -4.576 1.00 14.33 H new ATOM 0 HG2 GLU A 24 -3.082 -7.907 -5.639 1.00 24.44 H new ATOM 0 HG3 GLU A 24 -3.585 -9.562 -5.921 1.00 24.44 H new ATOM 236 N LEU A 25 1.204 -7.756 -6.632 1.00 2.35 N ATOM 237 CA LEU A 25 2.646 -7.578 -6.503 1.00 44.22 C ATOM 238 C LEU A 25 2.971 -6.301 -5.735 1.00 4.21 C ATOM 239 O LEU A 25 2.166 -5.372 -5.688 1.00 12.01 O ATOM 240 CB LEU A 25 3.300 -7.535 -7.886 1.00 31.24 C ATOM 241 CG LEU A 25 3.178 -8.807 -8.725 1.00 61.41 C ATOM 242 CD1 LEU A 25 1.970 -8.727 -9.645 1.00 14.53 C ATOM 243 CD2 LEU A 25 4.449 -9.039 -9.530 1.00 54.32 C ATOM 0 H LEU A 25 0.683 -6.890 -6.772 1.00 2.35 H new ATOM 0 HA LEU A 25 3.043 -8.426 -5.946 1.00 44.22 H new ATOM 0 HB2 LEU A 25 2.862 -6.710 -8.448 1.00 31.24 H new ATOM 0 HB3 LEU A 25 4.358 -7.308 -7.759 1.00 31.24 H new ATOM 0 HG LEU A 25 3.039 -9.652 -8.050 1.00 61.41 H new ATOM 0 HD11 LEU A 25 1.900 -9.641 -10.234 1.00 14.53 H new ATOM 0 HD12 LEU A 25 1.065 -8.610 -9.048 1.00 14.53 H new ATOM 0 HD13 LEU A 25 2.077 -7.872 -10.313 1.00 14.53 H new ATOM 0 HD21 LEU A 25 4.344 -9.949 -10.121 1.00 54.32 H new ATOM 0 HD22 LEU A 25 4.618 -8.192 -10.195 1.00 54.32 H new ATOM 0 HD23 LEU A 25 5.296 -9.143 -8.851 1.00 54.32 H new ATOM 255 N GLU A 26 4.158 -6.262 -5.136 1.00 73.12 N ATOM 256 CA GLU A 26 4.589 -5.098 -4.371 1.00 50.25 C ATOM 257 C GLU A 26 5.764 -4.403 -5.054 1.00 72.21 C ATOM 258 O GLU A 26 6.883 -4.916 -5.062 1.00 41.23 O ATOM 259 CB GLU A 26 4.981 -5.510 -2.951 1.00 43.30 C ATOM 260 CG GLU A 26 5.981 -6.653 -2.903 1.00 11.01 C ATOM 261 CD GLU A 26 7.219 -6.312 -2.097 1.00 43.43 C ATOM 262 OE1 GLU A 26 7.135 -6.308 -0.851 1.00 40.35 O ATOM 263 OE2 GLU A 26 8.273 -6.048 -2.714 1.00 23.45 O ATOM 0 H GLU A 26 4.837 -7.022 -5.166 1.00 73.12 H new ATOM 0 HA GLU A 26 3.755 -4.398 -4.321 1.00 50.25 H new ATOM 0 HB2 GLU A 26 5.403 -4.648 -2.435 1.00 43.30 H new ATOM 0 HB3 GLU A 26 4.083 -5.801 -2.405 1.00 43.30 H new ATOM 0 HG2 GLU A 26 5.502 -7.532 -2.472 1.00 11.01 H new ATOM 0 HG3 GLU A 26 6.275 -6.917 -3.919 1.00 11.01 H new ATOM 270 N VAL A 27 5.500 -3.233 -5.627 1.00 2.12 N ATOM 271 CA VAL A 27 6.534 -2.467 -6.312 1.00 4.33 C ATOM 272 C VAL A 27 6.384 -0.974 -6.039 1.00 71.34 C ATOM 273 O VAL A 27 5.365 -0.529 -5.512 1.00 2.10 O ATOM 274 CB VAL A 27 6.496 -2.706 -7.833 1.00 32.43 C ATOM 275 CG1 VAL A 27 6.867 -4.145 -8.156 1.00 64.44 C ATOM 276 CG2 VAL A 27 5.123 -2.363 -8.391 1.00 60.01 C ATOM 0 H VAL A 27 4.579 -2.795 -5.630 1.00 2.12 H new ATOM 0 HA VAL A 27 7.492 -2.810 -5.922 1.00 4.33 H new ATOM 0 HB VAL A 27 7.229 -2.052 -8.305 1.00 32.43 H new ATOM 0 HG11 VAL A 27 6.835 -4.296 -9.235 1.00 64.44 H new ATOM 0 HG12 VAL A 27 7.873 -4.352 -7.790 1.00 64.44 H new ATOM 0 HG13 VAL A 27 6.160 -4.820 -7.674 1.00 64.44 H new ATOM 0 HG21 VAL A 27 5.114 -2.538 -9.467 1.00 60.01 H new ATOM 0 HG22 VAL A 27 4.370 -2.991 -7.915 1.00 60.01 H new ATOM 0 HG23 VAL A 27 4.901 -1.315 -8.192 1.00 60.01 H new ATOM 286 N ALA A 28 7.405 -0.206 -6.403 1.00 64.04 N ATOM 287 CA ALA A 28 7.386 1.237 -6.201 1.00 11.32 C ATOM 288 C ALA A 28 7.530 1.980 -7.525 1.00 24.50 C ATOM 289 O ALA A 28 8.569 1.926 -8.184 1.00 73.44 O ATOM 290 CB ALA A 28 8.490 1.650 -5.239 1.00 1.22 C ATOM 0 H ALA A 28 8.256 -0.559 -6.840 1.00 64.04 H new ATOM 0 HA ALA A 28 6.422 1.505 -5.768 1.00 11.32 H new ATOM 0 HB1 ALA A 28 8.464 2.730 -5.097 1.00 1.22 H new ATOM 0 HB2 ALA A 28 8.341 1.155 -4.280 1.00 1.22 H new ATOM 0 HB3 ALA A 28 9.457 1.361 -5.650 1.00 1.22 H new ATOM 296 N PRO A 29 6.465 2.689 -7.926 1.00 2.32 N ATOM 297 CA PRO A 29 6.449 3.456 -9.175 1.00 63.11 C ATOM 298 C PRO A 29 7.363 4.675 -9.119 1.00 3.22 C ATOM 299 O PRO A 29 7.650 5.295 -10.142 1.00 3.11 O ATOM 300 CB PRO A 29 4.987 3.889 -9.307 1.00 1.43 C ATOM 301 CG PRO A 29 4.468 3.901 -7.910 1.00 62.43 C ATOM 302 CD PRO A 29 5.194 2.798 -7.190 1.00 4.52 C ATOM 0 HA PRO A 29 6.811 2.868 -10.018 1.00 63.11 H new ATOM 0 HB2 PRO A 29 4.906 4.873 -9.768 1.00 1.43 H new ATOM 0 HB3 PRO A 29 4.424 3.196 -9.933 1.00 1.43 H new ATOM 0 HG2 PRO A 29 4.651 4.864 -7.434 1.00 62.43 H new ATOM 0 HG3 PRO A 29 3.391 3.736 -7.892 1.00 62.43 H new ATOM 0 HD2 PRO A 29 5.357 3.043 -6.140 1.00 4.52 H new ATOM 0 HD3 PRO A 29 4.633 1.864 -7.216 1.00 4.52 H new ATOM 310 N ASN A 30 7.818 5.013 -7.916 1.00 50.15 N ATOM 311 CA ASN A 30 8.700 6.159 -7.727 1.00 40.02 C ATOM 312 C ASN A 30 10.157 5.766 -7.951 1.00 3.55 C ATOM 313 O ASN A 30 11.069 6.552 -7.692 1.00 31.44 O ATOM 314 CB ASN A 30 8.525 6.737 -6.321 1.00 65.32 C ATOM 315 CG ASN A 30 8.835 5.722 -5.237 1.00 14.50 C ATOM 316 OD1 ASN A 30 9.997 5.484 -4.907 1.00 54.25 O ATOM 317 ND2 ASN A 30 7.793 5.119 -4.677 1.00 15.42 N ATOM 0 H ASN A 30 7.590 4.510 -7.058 1.00 50.15 H new ATOM 0 HA ASN A 30 8.431 6.919 -8.460 1.00 40.02 H new ATOM 0 HB2 ASN A 30 9.178 7.602 -6.203 1.00 65.32 H new ATOM 0 HB3 ASN A 30 7.501 7.091 -6.201 1.00 65.32 H new ATOM 0 HD21 ASN A 30 7.939 4.427 -3.942 1.00 15.42 H new ATOM 0 HD22 ASN A 30 6.847 5.348 -4.982 1.00 15.42 H new ATOM 324 N ALA A 31 10.368 4.546 -8.433 1.00 44.43 N ATOM 325 CA ALA A 31 11.714 4.050 -8.694 1.00 50.42 C ATOM 326 C ALA A 31 12.016 4.043 -10.189 1.00 21.31 C ATOM 327 O ALA A 31 12.693 4.935 -10.701 1.00 61.22 O ATOM 328 CB ALA A 31 11.884 2.655 -8.112 1.00 61.12 C ATOM 0 H ALA A 31 9.624 3.883 -8.651 1.00 44.43 H new ATOM 0 HA ALA A 31 12.423 4.722 -8.210 1.00 50.42 H new ATOM 0 HB1 ALA A 31 12.893 2.297 -8.314 1.00 61.12 H new ATOM 0 HB2 ALA A 31 11.719 2.688 -7.035 1.00 61.12 H new ATOM 0 HB3 ALA A 31 11.161 1.979 -8.569 1.00 61.12 H new ATOM 334 N THR A 32 11.510 3.029 -10.885 1.00 44.21 N ATOM 335 CA THR A 32 11.728 2.904 -12.321 1.00 12.42 C ATOM 336 C THR A 32 10.655 2.034 -12.966 1.00 23.24 C ATOM 337 O THR A 32 10.217 1.040 -12.386 1.00 62.23 O ATOM 338 CB THR A 32 13.113 2.306 -12.629 1.00 60.53 C ATOM 339 OG1 THR A 32 13.019 1.394 -13.729 1.00 74.42 O ATOM 340 CG2 THR A 32 13.674 1.585 -11.413 1.00 31.51 C ATOM 0 H THR A 32 10.947 2.283 -10.477 1.00 44.21 H new ATOM 0 HA THR A 32 11.675 3.910 -12.738 1.00 12.42 H new ATOM 0 HB THR A 32 13.787 3.122 -12.890 1.00 60.53 H new ATOM 0 HG1 THR A 32 13.904 1.019 -13.920 1.00 74.42 H new ATOM 0 HG21 THR A 32 14.653 1.171 -11.655 1.00 31.51 H new ATOM 0 HG22 THR A 32 13.772 2.288 -10.586 1.00 31.51 H new ATOM 0 HG23 THR A 32 13.000 0.778 -11.125 1.00 31.51 H new ATOM 348 N VAL A 33 10.236 2.413 -14.169 1.00 23.02 N ATOM 349 CA VAL A 33 9.216 1.665 -14.894 1.00 12.34 C ATOM 350 C VAL A 33 9.752 0.318 -15.364 1.00 31.33 C ATOM 351 O VAL A 33 9.045 -0.688 -15.333 1.00 33.51 O ATOM 352 CB VAL A 33 8.701 2.454 -16.112 1.00 45.33 C ATOM 353 CG1 VAL A 33 7.702 1.624 -16.903 1.00 12.11 C ATOM 354 CG2 VAL A 33 8.082 3.772 -15.671 1.00 30.42 C ATOM 0 H VAL A 33 10.587 3.234 -14.662 1.00 23.02 H new ATOM 0 HA VAL A 33 8.391 1.502 -14.201 1.00 12.34 H new ATOM 0 HB VAL A 33 9.547 2.677 -16.762 1.00 45.33 H new ATOM 0 HG11 VAL A 33 7.349 2.198 -17.760 1.00 12.11 H new ATOM 0 HG12 VAL A 33 8.183 0.710 -17.252 1.00 12.11 H new ATOM 0 HG13 VAL A 33 6.856 1.368 -16.265 1.00 12.11 H new ATOM 0 HG21 VAL A 33 7.724 4.316 -16.545 1.00 30.42 H new ATOM 0 HG22 VAL A 33 7.247 3.575 -14.999 1.00 30.42 H new ATOM 0 HG23 VAL A 33 8.831 4.371 -15.153 1.00 30.42 H new ATOM 364 N GLY A 34 11.008 0.306 -15.799 1.00 23.21 N ATOM 365 CA GLY A 34 11.619 -0.924 -16.269 1.00 53.13 C ATOM 366 C GLY A 34 11.830 -1.930 -15.155 1.00 13.40 C ATOM 367 O GLY A 34 11.744 -3.137 -15.375 1.00 62.34 O ATOM 0 H GLY A 34 11.614 1.126 -15.834 1.00 23.21 H new ATOM 0 HA2 GLY A 34 10.989 -1.367 -17.040 1.00 53.13 H new ATOM 0 HA3 GLY A 34 12.578 -0.695 -16.734 1.00 53.13 H new ATOM 371 N ALA A 35 12.108 -1.431 -13.955 1.00 32.01 N ATOM 372 CA ALA A 35 12.331 -2.295 -12.802 1.00 45.50 C ATOM 373 C ALA A 35 11.053 -3.026 -12.408 1.00 12.13 C ATOM 374 O ALA A 35 11.065 -4.234 -12.169 1.00 52.42 O ATOM 375 CB ALA A 35 12.860 -1.482 -11.629 1.00 64.51 C ATOM 0 H ALA A 35 12.184 -0.434 -13.756 1.00 32.01 H new ATOM 0 HA ALA A 35 13.075 -3.043 -13.077 1.00 45.50 H new ATOM 0 HB1 ALA A 35 13.022 -2.139 -10.775 1.00 64.51 H new ATOM 0 HB2 ALA A 35 13.802 -1.011 -11.908 1.00 64.51 H new ATOM 0 HB3 ALA A 35 12.135 -0.713 -11.363 1.00 64.51 H new ATOM 381 N VAL A 36 9.950 -2.286 -12.340 1.00 63.31 N ATOM 382 CA VAL A 36 8.663 -2.865 -11.975 1.00 12.11 C ATOM 383 C VAL A 36 8.154 -3.803 -13.063 1.00 35.50 C ATOM 384 O VAL A 36 7.589 -4.858 -12.773 1.00 34.12 O ATOM 385 CB VAL A 36 7.608 -1.772 -11.720 1.00 41.32 C ATOM 386 CG1 VAL A 36 7.490 -0.853 -12.926 1.00 53.54 C ATOM 387 CG2 VAL A 36 6.263 -2.398 -11.382 1.00 45.44 C ATOM 0 H VAL A 36 9.923 -1.285 -12.533 1.00 63.31 H new ATOM 0 HA VAL A 36 8.819 -3.430 -11.056 1.00 12.11 H new ATOM 0 HB VAL A 36 7.928 -1.174 -10.867 1.00 41.32 H new ATOM 0 HG11 VAL A 36 6.740 -0.087 -12.728 1.00 53.54 H new ATOM 0 HG12 VAL A 36 8.452 -0.378 -13.117 1.00 53.54 H new ATOM 0 HG13 VAL A 36 7.193 -1.434 -13.799 1.00 53.54 H new ATOM 0 HG21 VAL A 36 5.530 -1.611 -11.205 1.00 45.44 H new ATOM 0 HG22 VAL A 36 5.933 -3.021 -12.213 1.00 45.44 H new ATOM 0 HG23 VAL A 36 6.362 -3.010 -10.486 1.00 45.44 H new ATOM 397 N ARG A 37 8.358 -3.413 -14.317 1.00 13.12 N ATOM 398 CA ARG A 37 7.919 -4.219 -15.449 1.00 75.13 C ATOM 399 C ARG A 37 8.663 -5.550 -15.490 1.00 64.24 C ATOM 400 O ARG A 37 8.064 -6.604 -15.708 1.00 51.31 O ATOM 401 CB ARG A 37 8.137 -3.459 -16.759 1.00 24.31 C ATOM 402 CG ARG A 37 7.456 -4.101 -17.956 1.00 54.34 C ATOM 403 CD ARG A 37 8.317 -4.004 -19.206 1.00 0.22 C ATOM 404 NE ARG A 37 9.191 -5.164 -19.359 1.00 42.32 N ATOM 405 CZ ARG A 37 10.085 -5.287 -20.334 1.00 52.43 C ATOM 406 NH1 ARG A 37 10.222 -4.326 -21.237 1.00 52.45 N ATOM 407 NH2 ARG A 37 10.844 -6.372 -20.407 1.00 61.41 N ATOM 0 H ARG A 37 8.825 -2.543 -14.574 1.00 13.12 H new ATOM 0 HA ARG A 37 6.855 -4.421 -15.328 1.00 75.13 H new ATOM 0 HB2 ARG A 37 7.767 -2.440 -16.644 1.00 24.31 H new ATOM 0 HB3 ARG A 37 9.207 -3.389 -16.955 1.00 24.31 H new ATOM 0 HG2 ARG A 37 7.246 -5.148 -17.738 1.00 54.34 H new ATOM 0 HG3 ARG A 37 6.497 -3.614 -18.135 1.00 54.34 H new ATOM 0 HD2 ARG A 37 7.675 -3.915 -20.082 1.00 0.22 H new ATOM 0 HD3 ARG A 37 8.921 -3.098 -19.161 1.00 0.22 H new ATOM 0 HE ARG A 37 9.111 -5.921 -18.680 1.00 42.32 H new ATOM 0 HH11 ARG A 37 9.640 -3.490 -21.184 1.00 52.45 H new ATOM 0 HH12 ARG A 37 10.909 -4.423 -21.985 1.00 52.45 H new ATOM 0 HH21 ARG A 37 10.742 -7.113 -19.714 1.00 61.41 H new ATOM 0 HH22 ARG A 37 11.530 -6.465 -21.156 1.00 61.41 H new ATOM 421 N THR A 38 9.975 -5.495 -15.280 1.00 70.42 N ATOM 422 CA THR A 38 10.802 -6.695 -15.295 1.00 22.22 C ATOM 423 C THR A 38 10.493 -7.591 -14.101 1.00 10.23 C ATOM 424 O THR A 38 10.455 -8.815 -14.223 1.00 30.41 O ATOM 425 CB THR A 38 12.302 -6.344 -15.284 1.00 11.22 C ATOM 426 OG1 THR A 38 12.610 -5.477 -16.381 1.00 50.20 O ATOM 427 CG2 THR A 38 13.153 -7.602 -15.370 1.00 41.33 C ATOM 0 H THR A 38 10.487 -4.632 -15.098 1.00 70.42 H new ATOM 0 HA THR A 38 10.568 -7.228 -16.216 1.00 22.22 H new ATOM 0 HB THR A 38 12.527 -5.836 -14.346 1.00 11.22 H new ATOM 0 HG1 THR A 38 12.447 -4.547 -16.119 1.00 50.20 H new ATOM 0 HG21 THR A 38 14.208 -7.329 -15.361 1.00 41.33 H new ATOM 0 HG22 THR A 38 12.937 -8.246 -14.518 1.00 41.33 H new ATOM 0 HG23 THR A 38 12.924 -8.134 -16.294 1.00 41.33 H new ATOM 435 N LYS A 39 10.272 -6.973 -12.945 1.00 74.04 N ATOM 436 CA LYS A 39 9.963 -7.714 -11.728 1.00 3.31 C ATOM 437 C LYS A 39 8.647 -8.471 -11.871 1.00 22.54 C ATOM 438 O LYS A 39 8.539 -9.629 -11.466 1.00 32.10 O ATOM 439 CB LYS A 39 9.889 -6.762 -10.532 1.00 53.51 C ATOM 440 CG LYS A 39 11.093 -6.847 -9.611 1.00 2.32 C ATOM 441 CD LYS A 39 11.131 -8.169 -8.863 1.00 11.21 C ATOM 442 CE LYS A 39 10.219 -8.147 -7.646 1.00 2.24 C ATOM 443 NZ LYS A 39 10.988 -7.993 -6.380 1.00 0.34 N ATOM 0 H LYS A 39 10.301 -5.960 -12.826 1.00 74.04 H new ATOM 0 HA LYS A 39 10.761 -8.437 -11.560 1.00 3.31 H new ATOM 0 HB2 LYS A 39 9.793 -5.740 -10.898 1.00 53.51 H new ATOM 0 HB3 LYS A 39 8.988 -6.981 -9.959 1.00 53.51 H new ATOM 0 HG2 LYS A 39 12.007 -6.731 -10.194 1.00 2.32 H new ATOM 0 HG3 LYS A 39 11.064 -6.024 -8.896 1.00 2.32 H new ATOM 0 HD2 LYS A 39 10.828 -8.975 -9.531 1.00 11.21 H new ATOM 0 HD3 LYS A 39 12.153 -8.382 -8.549 1.00 11.21 H new ATOM 0 HE2 LYS A 39 9.507 -7.327 -7.740 1.00 2.24 H new ATOM 0 HE3 LYS A 39 9.640 -9.070 -7.609 1.00 2.24 H new ATOM 0 HZ1 LYS A 39 10.331 -7.982 -5.574 1.00 0.34 H new ATOM 0 HZ2 LYS A 39 11.650 -8.789 -6.277 1.00 0.34 H new ATOM 0 HZ3 LYS A 39 11.521 -7.100 -6.404 1.00 0.34 H new ATOM 457 N VAL A 40 7.649 -7.811 -12.450 1.00 22.52 N ATOM 458 CA VAL A 40 6.341 -8.424 -12.648 1.00 41.13 C ATOM 459 C VAL A 40 6.409 -9.544 -13.681 1.00 5.43 C ATOM 460 O VAL A 40 5.888 -10.637 -13.461 1.00 33.32 O ATOM 461 CB VAL A 40 5.298 -7.385 -13.102 1.00 21.21 C ATOM 462 CG1 VAL A 40 3.957 -8.054 -13.361 1.00 55.43 C ATOM 463 CG2 VAL A 40 5.161 -6.281 -12.065 1.00 41.51 C ATOM 0 H VAL A 40 7.721 -6.852 -12.790 1.00 22.52 H new ATOM 0 HA VAL A 40 6.037 -8.838 -11.687 1.00 41.13 H new ATOM 0 HB VAL A 40 5.639 -6.936 -14.035 1.00 21.21 H new ATOM 0 HG11 VAL A 40 3.232 -7.305 -13.681 1.00 55.43 H new ATOM 0 HG12 VAL A 40 4.070 -8.806 -14.142 1.00 55.43 H new ATOM 0 HG13 VAL A 40 3.606 -8.531 -12.446 1.00 55.43 H new ATOM 0 HG21 VAL A 40 4.420 -5.556 -12.402 1.00 41.51 H new ATOM 0 HG22 VAL A 40 4.842 -6.711 -11.116 1.00 41.51 H new ATOM 0 HG23 VAL A 40 6.122 -5.784 -11.934 1.00 41.51 H new ATOM 473 N CYS A 41 7.056 -9.264 -14.807 1.00 1.43 N ATOM 474 CA CYS A 41 7.193 -10.248 -15.875 1.00 10.43 C ATOM 475 C CYS A 41 7.877 -11.512 -15.365 1.00 5.31 C ATOM 476 O CYS A 41 7.441 -12.625 -15.653 1.00 73.44 O ATOM 477 CB CYS A 41 7.987 -9.658 -17.041 1.00 43.10 C ATOM 478 SG CYS A 41 7.029 -8.550 -18.101 1.00 62.13 S ATOM 0 H CYS A 41 7.494 -8.364 -15.004 1.00 1.43 H new ATOM 0 HA CYS A 41 6.194 -10.513 -16.222 1.00 10.43 H new ATOM 0 HB2 CYS A 41 8.844 -9.113 -16.644 1.00 43.10 H new ATOM 0 HB3 CYS A 41 8.381 -10.473 -17.648 1.00 43.10 H new ATOM 0 HG CYS A 41 7.060 -7.346 -17.611 1.00 62.13 H new ATOM 484 N ALA A 42 8.954 -11.331 -14.607 1.00 11.32 N ATOM 485 CA ALA A 42 9.699 -12.456 -14.057 1.00 32.33 C ATOM 486 C ALA A 42 8.842 -13.258 -13.082 1.00 44.41 C ATOM 487 O ALA A 42 8.849 -14.488 -13.102 1.00 65.10 O ATOM 488 CB ALA A 42 10.965 -11.966 -13.370 1.00 30.22 C ATOM 0 H ALA A 42 9.330 -10.415 -14.360 1.00 11.32 H new ATOM 0 HA ALA A 42 9.977 -13.113 -14.881 1.00 32.33 H new ATOM 0 HB1 ALA A 42 11.511 -12.817 -12.964 1.00 30.22 H new ATOM 0 HB2 ALA A 42 11.592 -11.444 -14.092 1.00 30.22 H new ATOM 0 HB3 ALA A 42 10.700 -11.286 -12.561 1.00 30.22 H new ATOM 494 N MET A 43 8.106 -12.552 -12.230 1.00 42.20 N ATOM 495 CA MET A 43 7.244 -13.199 -11.248 1.00 11.31 C ATOM 496 C MET A 43 6.210 -14.086 -11.933 1.00 73.12 C ATOM 497 O MET A 43 5.761 -15.084 -11.369 1.00 13.24 O ATOM 498 CB MET A 43 6.541 -12.149 -10.385 1.00 32.11 C ATOM 499 CG MET A 43 5.827 -12.734 -9.177 1.00 74.45 C ATOM 500 SD MET A 43 6.601 -12.266 -7.618 1.00 22.30 S ATOM 501 CE MET A 43 5.894 -13.483 -6.510 1.00 64.31 C ATOM 0 H MET A 43 8.089 -11.533 -12.200 1.00 42.20 H new ATOM 0 HA MET A 43 7.868 -13.825 -10.610 1.00 11.31 H new ATOM 0 HB2 MET A 43 7.276 -11.419 -10.044 1.00 32.11 H new ATOM 0 HB3 MET A 43 5.818 -11.611 -10.999 1.00 32.11 H new ATOM 0 HG2 MET A 43 4.789 -12.401 -9.177 1.00 74.45 H new ATOM 0 HG3 MET A 43 5.813 -13.821 -9.259 1.00 74.45 H new ATOM 0 HE1 MET A 43 6.278 -13.324 -5.502 1.00 64.31 H new ATOM 0 HE2 MET A 43 4.809 -13.383 -6.505 1.00 64.31 H new ATOM 0 HE3 MET A 43 6.165 -14.483 -6.848 1.00 64.31 H new ATOM 511 N LYS A 44 5.835 -13.717 -13.153 1.00 40.52 N ATOM 512 CA LYS A 44 4.854 -14.479 -13.917 1.00 3.12 C ATOM 513 C LYS A 44 5.542 -15.410 -14.910 1.00 44.54 C ATOM 514 O LYS A 44 4.902 -16.264 -15.523 1.00 32.34 O ATOM 515 CB LYS A 44 3.908 -13.533 -14.659 1.00 40.32 C ATOM 516 CG LYS A 44 2.797 -14.248 -15.408 1.00 14.22 C ATOM 517 CD LYS A 44 1.428 -13.723 -15.008 1.00 73.12 C ATOM 518 CE LYS A 44 1.053 -14.159 -13.600 1.00 73.52 C ATOM 519 NZ LYS A 44 -0.106 -15.095 -13.600 1.00 10.24 N ATOM 0 H LYS A 44 6.196 -12.894 -13.635 1.00 40.52 H new ATOM 0 HA LYS A 44 4.277 -15.085 -13.218 1.00 3.12 H new ATOM 0 HB2 LYS A 44 3.465 -12.841 -13.943 1.00 40.32 H new ATOM 0 HB3 LYS A 44 4.485 -12.936 -15.365 1.00 40.32 H new ATOM 0 HG2 LYS A 44 2.938 -14.118 -16.481 1.00 14.22 H new ATOM 0 HG3 LYS A 44 2.851 -15.318 -15.206 1.00 14.22 H new ATOM 0 HD2 LYS A 44 1.423 -12.635 -15.066 1.00 73.12 H new ATOM 0 HD3 LYS A 44 0.679 -14.083 -15.713 1.00 73.12 H new ATOM 0 HE2 LYS A 44 1.909 -14.641 -13.129 1.00 73.52 H new ATOM 0 HE3 LYS A 44 0.811 -13.282 -13.000 1.00 73.52 H new ATOM 0 HZ1 LYS A 44 -0.331 -15.369 -12.622 1.00 10.24 H new ATOM 0 HZ2 LYS A 44 -0.931 -14.626 -14.027 1.00 10.24 H new ATOM 0 HZ3 LYS A 44 0.133 -15.944 -14.151 1.00 10.24 H new ATOM 533 N LYS A 45 6.851 -15.239 -15.065 1.00 40.01 N ATOM 534 CA LYS A 45 7.628 -16.065 -15.982 1.00 54.00 C ATOM 535 C LYS A 45 7.171 -15.856 -17.422 1.00 74.32 C ATOM 536 O LYS A 45 6.809 -16.809 -18.114 1.00 30.31 O ATOM 537 CB LYS A 45 7.499 -17.542 -15.604 1.00 32.31 C ATOM 538 CG LYS A 45 8.677 -18.390 -16.052 1.00 53.24 C ATOM 539 CD LYS A 45 9.726 -18.509 -14.960 1.00 1.20 C ATOM 540 CE LYS A 45 10.653 -17.303 -14.944 1.00 11.14 C ATOM 541 NZ LYS A 45 11.916 -17.584 -14.206 1.00 13.20 N ATOM 0 H LYS A 45 7.396 -14.535 -14.567 1.00 40.01 H new ATOM 0 HA LYS A 45 8.673 -15.766 -15.904 1.00 54.00 H new ATOM 0 HB2 LYS A 45 7.394 -17.624 -14.522 1.00 32.31 H new ATOM 0 HB3 LYS A 45 6.586 -17.943 -16.044 1.00 32.31 H new ATOM 0 HG2 LYS A 45 8.326 -19.384 -16.330 1.00 53.24 H new ATOM 0 HG3 LYS A 45 9.126 -17.949 -16.942 1.00 53.24 H new ATOM 0 HD2 LYS A 45 9.235 -18.605 -13.991 1.00 1.20 H new ATOM 0 HD3 LYS A 45 10.310 -19.416 -15.113 1.00 1.20 H new ATOM 0 HE2 LYS A 45 10.888 -17.012 -15.968 1.00 11.14 H new ATOM 0 HE3 LYS A 45 10.142 -16.458 -14.481 1.00 11.14 H new ATOM 0 HZ1 LYS A 45 12.521 -16.738 -14.218 1.00 13.20 H new ATOM 0 HZ2 LYS A 45 11.694 -17.837 -13.222 1.00 13.20 H new ATOM 0 HZ3 LYS A 45 12.416 -18.373 -14.662 1.00 13.20 H new ATOM 555 N LEU A 46 7.190 -14.605 -17.869 1.00 24.41 N ATOM 556 CA LEU A 46 6.779 -14.272 -19.228 1.00 45.24 C ATOM 557 C LEU A 46 7.951 -13.715 -20.030 1.00 44.04 C ATOM 558 O LEU A 46 8.947 -13.248 -19.478 1.00 3.43 O ATOM 559 CB LEU A 46 5.636 -13.256 -19.202 1.00 3.22 C ATOM 560 CG LEU A 46 4.233 -13.829 -19.003 1.00 31.50 C ATOM 561 CD1 LEU A 46 3.219 -12.710 -18.824 1.00 61.10 C ATOM 562 CD2 LEU A 46 3.848 -14.717 -20.178 1.00 23.14 C ATOM 0 H LEU A 46 7.486 -13.805 -17.310 1.00 24.41 H new ATOM 0 HA LEU A 46 6.433 -15.186 -19.711 1.00 45.24 H new ATOM 0 HB2 LEU A 46 5.831 -12.540 -18.403 1.00 3.22 H new ATOM 0 HB3 LEU A 46 5.650 -12.700 -20.139 1.00 3.22 H new ATOM 0 HG LEU A 46 4.235 -14.437 -18.098 1.00 31.50 H new ATOM 0 HD11 LEU A 46 2.226 -13.138 -18.684 1.00 61.10 H new ATOM 0 HD12 LEU A 46 3.484 -12.115 -17.950 1.00 61.10 H new ATOM 0 HD13 LEU A 46 3.218 -12.074 -19.710 1.00 61.10 H new ATOM 0 HD21 LEU A 46 2.846 -15.116 -20.019 1.00 23.14 H new ATOM 0 HD22 LEU A 46 3.864 -14.131 -21.097 1.00 23.14 H new ATOM 0 HD23 LEU A 46 4.558 -15.540 -20.260 1.00 23.14 H new ATOM 574 N PRO A 47 7.831 -13.763 -21.365 1.00 61.04 N ATOM 575 CA PRO A 47 8.870 -13.265 -22.272 1.00 72.22 C ATOM 576 C PRO A 47 8.988 -11.745 -22.239 1.00 71.25 C ATOM 577 O PRO A 47 8.090 -11.019 -22.667 1.00 30.40 O ATOM 578 CB PRO A 47 8.394 -13.735 -23.649 1.00 34.00 C ATOM 579 CG PRO A 47 6.917 -13.874 -23.512 1.00 33.53 C ATOM 580 CD PRO A 47 6.672 -14.307 -22.092 1.00 53.45 C ATOM 0 HA PRO A 47 9.859 -13.633 -22.000 1.00 72.22 H new ATOM 0 HB2 PRO A 47 8.654 -13.015 -24.425 1.00 34.00 H new ATOM 0 HB3 PRO A 47 8.857 -14.682 -23.926 1.00 34.00 H new ATOM 0 HG2 PRO A 47 6.415 -12.930 -23.724 1.00 33.53 H new ATOM 0 HG3 PRO A 47 6.527 -14.608 -24.217 1.00 33.53 H new ATOM 0 HD2 PRO A 47 5.733 -13.909 -21.707 1.00 53.45 H new ATOM 0 HD3 PRO A 47 6.617 -15.392 -22.007 1.00 53.45 H new ATOM 588 N PRO A 48 10.121 -11.250 -21.721 1.00 24.01 N ATOM 589 CA PRO A 48 10.384 -9.811 -21.621 1.00 71.22 C ATOM 590 C PRO A 48 10.611 -9.168 -22.985 1.00 0.42 C ATOM 591 O PRO A 48 10.376 -7.972 -23.165 1.00 22.55 O ATOM 592 CB PRO A 48 11.659 -9.741 -20.778 1.00 3.03 C ATOM 593 CG PRO A 48 12.335 -11.050 -21.003 1.00 11.53 C ATOM 594 CD PRO A 48 11.234 -12.057 -21.192 1.00 44.54 C ATOM 0 HA PRO A 48 9.541 -9.271 -21.189 1.00 71.22 H new ATOM 0 HB2 PRO A 48 12.293 -8.910 -21.087 1.00 3.03 H new ATOM 0 HB3 PRO A 48 11.428 -9.591 -19.723 1.00 3.03 H new ATOM 0 HG2 PRO A 48 12.982 -11.010 -21.879 1.00 11.53 H new ATOM 0 HG3 PRO A 48 12.965 -11.315 -20.154 1.00 11.53 H new ATOM 0 HD2 PRO A 48 11.525 -12.845 -21.887 1.00 44.54 H new ATOM 0 HD3 PRO A 48 10.968 -12.542 -20.253 1.00 44.54 H new ATOM 602 N ASP A 49 11.068 -9.967 -23.942 1.00 44.12 N ATOM 603 CA ASP A 49 11.326 -9.475 -25.291 1.00 32.03 C ATOM 604 C ASP A 49 10.030 -9.033 -25.964 1.00 45.33 C ATOM 605 O ASP A 49 9.988 -8.004 -26.640 1.00 5.45 O ATOM 606 CB ASP A 49 12.008 -10.557 -26.130 1.00 12.13 C ATOM 607 CG ASP A 49 13.438 -10.810 -25.696 1.00 44.42 C ATOM 608 OD1 ASP A 49 13.696 -10.811 -24.475 1.00 22.54 O ATOM 609 OD2 ASP A 49 14.300 -11.005 -26.579 1.00 4.22 O ATOM 0 H ASP A 49 11.268 -10.958 -23.809 1.00 44.12 H new ATOM 0 HA ASP A 49 11.989 -8.613 -25.217 1.00 32.03 H new ATOM 0 HB2 ASP A 49 11.439 -11.484 -26.055 1.00 12.13 H new ATOM 0 HB3 ASP A 49 11.997 -10.260 -27.179 1.00 12.13 H new ATOM 614 N THR A 50 8.974 -9.818 -25.777 1.00 51.31 N ATOM 615 CA THR A 50 7.678 -9.509 -26.368 1.00 10.21 C ATOM 616 C THR A 50 6.640 -9.213 -25.292 1.00 14.22 C ATOM 617 O THR A 50 5.672 -9.957 -25.126 1.00 2.42 O ATOM 618 CB THR A 50 7.172 -10.666 -27.249 1.00 31.50 C ATOM 619 OG1 THR A 50 7.151 -11.883 -26.495 1.00 25.53 O ATOM 620 CG2 THR A 50 8.055 -10.839 -28.476 1.00 0.04 C ATOM 0 H THR A 50 8.991 -10.673 -25.221 1.00 51.31 H new ATOM 0 HA THR A 50 7.817 -8.624 -26.989 1.00 10.21 H new ATOM 0 HB THR A 50 6.161 -10.426 -27.579 1.00 31.50 H new ATOM 0 HG1 THR A 50 6.612 -11.757 -25.686 1.00 25.53 H new ATOM 0 HG21 THR A 50 7.678 -11.662 -29.083 1.00 0.04 H new ATOM 0 HG22 THR A 50 8.045 -9.921 -29.064 1.00 0.04 H new ATOM 0 HG23 THR A 50 9.076 -11.058 -28.162 1.00 0.04 H new ATOM 628 N THR A 51 6.845 -8.121 -24.562 1.00 2.13 N ATOM 629 CA THR A 51 5.927 -7.727 -23.501 1.00 10.31 C ATOM 630 C THR A 51 5.748 -6.213 -23.462 1.00 64.34 C ATOM 631 O THR A 51 6.684 -5.461 -23.736 1.00 71.32 O ATOM 632 CB THR A 51 6.420 -8.209 -22.123 1.00 75.35 C ATOM 633 OG1 THR A 51 5.370 -8.087 -21.157 1.00 52.13 O ATOM 634 CG2 THR A 51 7.629 -7.406 -21.670 1.00 24.53 C ATOM 0 H THR A 51 7.639 -7.493 -24.687 1.00 2.13 H new ATOM 0 HA THR A 51 4.969 -8.198 -23.722 1.00 10.31 H new ATOM 0 HB THR A 51 6.712 -9.256 -22.211 1.00 75.35 H new ATOM 0 HG1 THR A 51 5.741 -8.189 -20.256 1.00 52.13 H new ATOM 0 HG21 THR A 51 7.959 -7.764 -20.695 1.00 24.53 H new ATOM 0 HG22 THR A 51 8.436 -7.525 -22.393 1.00 24.53 H new ATOM 0 HG23 THR A 51 7.359 -6.352 -21.597 1.00 24.53 H new ATOM 642 N ARG A 52 4.542 -5.773 -23.120 1.00 60.04 N ATOM 643 CA ARG A 52 4.241 -4.348 -23.047 1.00 23.43 C ATOM 644 C ARG A 52 3.635 -3.990 -21.693 1.00 74.12 C ATOM 645 O ARG A 52 3.181 -4.864 -20.953 1.00 23.10 O ATOM 646 CB ARG A 52 3.282 -3.949 -24.169 1.00 73.23 C ATOM 647 CG ARG A 52 3.866 -2.934 -25.138 1.00 0.23 C ATOM 648 CD ARG A 52 3.199 -3.017 -26.502 1.00 14.54 C ATOM 649 NE ARG A 52 3.302 -1.760 -27.239 1.00 12.15 N ATOM 650 CZ ARG A 52 4.421 -1.335 -27.814 1.00 3.04 C ATOM 651 NH1 ARG A 52 5.527 -2.063 -27.737 1.00 41.45 N ATOM 652 NH2 ARG A 52 4.436 -0.180 -28.467 1.00 21.11 N ATOM 0 H ARG A 52 3.757 -6.382 -22.889 1.00 60.04 H new ATOM 0 HA ARG A 52 5.175 -3.798 -23.165 1.00 23.43 H new ATOM 0 HB2 ARG A 52 2.992 -4.842 -24.723 1.00 73.23 H new ATOM 0 HB3 ARG A 52 2.373 -3.538 -23.730 1.00 73.23 H new ATOM 0 HG2 ARG A 52 3.743 -1.930 -24.732 1.00 0.23 H new ATOM 0 HG3 ARG A 52 4.937 -3.106 -25.245 1.00 0.23 H new ATOM 0 HD2 ARG A 52 3.659 -3.816 -27.083 1.00 14.54 H new ATOM 0 HD3 ARG A 52 2.148 -3.279 -26.376 1.00 14.54 H new ATOM 0 HE ARG A 52 2.469 -1.177 -27.316 1.00 12.15 H new ATOM 0 HH11 ARG A 52 5.519 -2.951 -27.235 1.00 41.45 H new ATOM 0 HH12 ARG A 52 6.385 -1.735 -28.179 1.00 41.45 H new ATOM 0 HH21 ARG A 52 3.587 0.383 -28.528 1.00 21.11 H new ATOM 0 HH22 ARG A 52 5.296 0.145 -28.908 1.00 21.11 H new ATOM 666 N LEU A 53 3.630 -2.700 -21.376 1.00 20.23 N ATOM 667 CA LEU A 53 3.080 -2.226 -20.111 1.00 14.51 C ATOM 668 C LEU A 53 2.343 -0.904 -20.300 1.00 15.53 C ATOM 669 O LEU A 53 2.898 0.061 -20.827 1.00 64.41 O ATOM 670 CB LEU A 53 4.195 -2.058 -19.078 1.00 1.43 C ATOM 671 CG LEU A 53 3.851 -1.213 -17.850 1.00 22.40 C ATOM 672 CD1 LEU A 53 2.719 -1.854 -17.062 1.00 0.30 C ATOM 673 CD2 LEU A 53 5.078 -1.028 -16.969 1.00 64.43 C ATOM 0 H LEU A 53 4.000 -1.964 -21.977 1.00 20.23 H new ATOM 0 HA LEU A 53 2.369 -2.970 -19.751 1.00 14.51 H new ATOM 0 HB2 LEU A 53 4.501 -3.048 -18.739 1.00 1.43 H new ATOM 0 HB3 LEU A 53 5.057 -1.610 -19.573 1.00 1.43 H new ATOM 0 HG LEU A 53 3.521 -0.231 -18.189 1.00 22.40 H new ATOM 0 HD11 LEU A 53 2.488 -1.239 -16.192 1.00 0.30 H new ATOM 0 HD12 LEU A 53 1.835 -1.934 -17.695 1.00 0.30 H new ATOM 0 HD13 LEU A 53 3.022 -2.848 -16.734 1.00 0.30 H new ATOM 0 HD21 LEU A 53 4.815 -0.425 -16.100 1.00 64.43 H new ATOM 0 HD22 LEU A 53 5.439 -2.002 -16.638 1.00 64.43 H new ATOM 0 HD23 LEU A 53 5.861 -0.525 -17.536 1.00 64.43 H new ATOM 685 N THR A 54 1.087 -0.864 -19.863 1.00 63.14 N ATOM 686 CA THR A 54 0.274 0.339 -19.983 1.00 40.41 C ATOM 687 C THR A 54 -0.331 0.730 -18.639 1.00 41.15 C ATOM 688 O THR A 54 -0.856 -0.115 -17.915 1.00 32.41 O ATOM 689 CB THR A 54 -0.860 0.151 -21.009 1.00 1.45 C ATOM 690 OG1 THR A 54 -0.696 -1.093 -21.697 1.00 71.24 O ATOM 691 CG2 THR A 54 -0.876 1.294 -22.013 1.00 15.25 C ATOM 0 H THR A 54 0.612 -1.652 -19.423 1.00 63.14 H new ATOM 0 HA THR A 54 0.935 1.135 -20.326 1.00 40.41 H new ATOM 0 HB THR A 54 -1.809 0.147 -20.473 1.00 1.45 H new ATOM 0 HG1 THR A 54 -1.421 -1.206 -22.346 1.00 71.24 H new ATOM 0 HG21 THR A 54 -1.685 1.140 -22.727 1.00 15.25 H new ATOM 0 HG22 THR A 54 -1.030 2.237 -21.488 1.00 15.25 H new ATOM 0 HG23 THR A 54 0.076 1.325 -22.544 1.00 15.25 H new ATOM 699 N TYR A 55 -0.254 2.015 -18.313 1.00 13.30 N ATOM 700 CA TYR A 55 -0.793 2.518 -17.055 1.00 32.33 C ATOM 701 C TYR A 55 -1.653 3.756 -17.286 1.00 53.33 C ATOM 702 O TYR A 55 -1.219 4.720 -17.918 1.00 22.14 O ATOM 703 CB TYR A 55 0.343 2.846 -16.084 1.00 54.12 C ATOM 704 CG TYR A 55 -0.106 3.623 -14.868 1.00 14.45 C ATOM 705 CD1 TYR A 55 -0.960 3.053 -13.931 1.00 52.50 C ATOM 706 CD2 TYR A 55 0.322 4.928 -14.655 1.00 22.22 C ATOM 707 CE1 TYR A 55 -1.374 3.760 -12.818 1.00 43.02 C ATOM 708 CE2 TYR A 55 -0.085 5.641 -13.544 1.00 41.21 C ATOM 709 CZ TYR A 55 -0.933 5.053 -12.629 1.00 0.21 C ATOM 710 OH TYR A 55 -1.342 5.761 -11.522 1.00 41.10 O ATOM 0 H TYR A 55 0.176 2.728 -18.902 1.00 13.30 H new ATOM 0 HA TYR A 55 -1.420 1.739 -16.621 1.00 32.33 H new ATOM 0 HB2 TYR A 55 0.811 1.917 -15.759 1.00 54.12 H new ATOM 0 HB3 TYR A 55 1.105 3.420 -16.611 1.00 54.12 H new ATOM 0 HD1 TYR A 55 -1.306 2.040 -14.075 1.00 52.50 H new ATOM 0 HD2 TYR A 55 0.984 5.393 -15.370 1.00 22.22 H new ATOM 0 HE1 TYR A 55 -2.039 3.303 -12.100 1.00 43.02 H new ATOM 0 HE2 TYR A 55 0.259 6.654 -13.393 1.00 41.21 H new ATOM 0 HH TYR A 55 -2.285 5.566 -11.339 1.00 41.10 H new ATOM 720 N LYS A 56 -2.877 3.723 -16.770 1.00 52.50 N ATOM 721 CA LYS A 56 -3.800 4.842 -16.917 1.00 54.41 C ATOM 722 C LYS A 56 -3.992 5.200 -18.387 1.00 44.44 C ATOM 723 O LYS A 56 -4.168 6.367 -18.734 1.00 53.52 O ATOM 724 CB LYS A 56 -3.285 6.060 -16.147 1.00 44.55 C ATOM 725 CG LYS A 56 -4.380 6.845 -15.446 1.00 4.11 C ATOM 726 CD LYS A 56 -4.231 8.339 -15.678 1.00 52.41 C ATOM 727 CE LYS A 56 -5.277 8.859 -16.653 1.00 31.52 C ATOM 728 NZ LYS A 56 -4.801 10.062 -17.388 1.00 44.53 N ATOM 0 H LYS A 56 -3.253 2.933 -16.246 1.00 52.50 H new ATOM 0 HA LYS A 56 -4.764 4.541 -16.506 1.00 54.41 H new ATOM 0 HB2 LYS A 56 -2.556 5.730 -15.407 1.00 44.55 H new ATOM 0 HB3 LYS A 56 -2.761 6.721 -16.838 1.00 44.55 H new ATOM 0 HG2 LYS A 56 -5.354 6.515 -15.808 1.00 4.11 H new ATOM 0 HG3 LYS A 56 -4.350 6.637 -14.376 1.00 4.11 H new ATOM 0 HD2 LYS A 56 -4.323 8.867 -14.729 1.00 52.41 H new ATOM 0 HD3 LYS A 56 -3.234 8.551 -16.065 1.00 52.41 H new ATOM 0 HE2 LYS A 56 -5.530 8.075 -17.366 1.00 31.52 H new ATOM 0 HE3 LYS A 56 -6.190 9.103 -16.110 1.00 31.52 H new ATOM 0 HZ1 LYS A 56 -5.542 10.385 -18.042 1.00 44.53 H new ATOM 0 HZ2 LYS A 56 -4.583 10.820 -16.710 1.00 44.53 H new ATOM 0 HZ3 LYS A 56 -3.944 9.823 -17.927 1.00 44.53 H new ATOM 742 N GLY A 57 -3.956 4.188 -19.248 1.00 73.52 N ATOM 743 CA GLY A 57 -4.129 4.417 -20.671 1.00 24.42 C ATOM 744 C GLY A 57 -2.932 5.105 -21.296 1.00 42.32 C ATOM 745 O GLY A 57 -3.004 5.584 -22.428 1.00 72.22 O ATOM 0 H GLY A 57 -3.810 3.213 -18.986 1.00 73.52 H new ATOM 0 HA2 GLY A 57 -4.299 3.464 -21.171 1.00 24.42 H new ATOM 0 HA3 GLY A 57 -5.019 5.025 -20.833 1.00 24.42 H new ATOM 749 N ARG A 58 -1.828 5.157 -20.558 1.00 13.45 N ATOM 750 CA ARG A 58 -0.612 5.795 -21.046 1.00 4.44 C ATOM 751 C ARG A 58 0.574 4.838 -20.967 1.00 32.24 C ATOM 752 O ARG A 58 0.527 3.834 -20.256 1.00 3.31 O ATOM 753 CB ARG A 58 -0.314 7.060 -20.238 1.00 31.13 C ATOM 754 CG ARG A 58 -0.384 8.337 -21.058 1.00 53.52 C ATOM 755 CD ARG A 58 -1.763 8.532 -21.669 1.00 13.32 C ATOM 756 NE ARG A 58 -2.269 9.886 -21.458 1.00 1.10 N ATOM 757 CZ ARG A 58 -1.895 10.932 -22.187 1.00 32.03 C ATOM 758 NH1 ARG A 58 -1.017 10.780 -23.169 1.00 14.33 N ATOM 759 NH2 ARG A 58 -2.400 12.133 -21.934 1.00 31.21 N ATOM 0 H ARG A 58 -1.751 4.765 -19.620 1.00 13.45 H new ATOM 0 HA ARG A 58 -0.769 6.067 -22.090 1.00 4.44 H new ATOM 0 HB2 ARG A 58 -1.023 7.129 -19.413 1.00 31.13 H new ATOM 0 HB3 ARG A 58 0.680 6.974 -19.799 1.00 31.13 H new ATOM 0 HG2 ARG A 58 -0.141 9.191 -20.425 1.00 53.52 H new ATOM 0 HG3 ARG A 58 0.365 8.304 -21.850 1.00 53.52 H new ATOM 0 HD2 ARG A 58 -1.718 8.324 -22.738 1.00 13.32 H new ATOM 0 HD3 ARG A 58 -2.457 7.814 -21.233 1.00 13.32 H new ATOM 0 HE ARG A 58 -2.946 10.037 -20.710 1.00 1.10 H new ATOM 0 HH11 ARG A 58 -0.627 9.858 -23.366 1.00 14.33 H new ATOM 0 HH12 ARG A 58 -0.732 11.585 -23.727 1.00 14.33 H new ATOM 0 HH21 ARG A 58 -3.076 12.254 -21.179 1.00 31.21 H new ATOM 0 HH22 ARG A 58 -2.112 12.935 -22.494 1.00 31.21 H new ATOM 773 N ALA A 59 1.634 5.155 -21.702 1.00 3.32 N ATOM 774 CA ALA A 59 2.832 4.325 -21.714 1.00 30.42 C ATOM 775 C ALA A 59 3.944 4.953 -20.881 1.00 63.12 C ATOM 776 O ALA A 59 4.196 6.155 -20.969 1.00 42.44 O ATOM 777 CB ALA A 59 3.303 4.098 -23.143 1.00 1.42 C ATOM 0 H ALA A 59 1.688 5.981 -22.298 1.00 3.32 H new ATOM 0 HA ALA A 59 2.581 3.362 -21.269 1.00 30.42 H new ATOM 0 HB1 ALA A 59 4.198 3.477 -23.137 1.00 1.42 H new ATOM 0 HB2 ALA A 59 2.518 3.597 -23.710 1.00 1.42 H new ATOM 0 HB3 ALA A 59 3.530 5.057 -23.608 1.00 1.42 H new ATOM 783 N LEU A 60 4.607 4.133 -20.073 1.00 32.02 N ATOM 784 CA LEU A 60 5.693 4.609 -19.223 1.00 71.10 C ATOM 785 C LEU A 60 6.926 3.722 -19.367 1.00 15.00 C ATOM 786 O LEU A 60 6.815 2.525 -19.632 1.00 61.24 O ATOM 787 CB LEU A 60 5.245 4.645 -17.761 1.00 15.00 C ATOM 788 CG LEU A 60 4.330 5.806 -17.368 1.00 22.11 C ATOM 789 CD1 LEU A 60 2.871 5.430 -17.574 1.00 62.41 C ATOM 790 CD2 LEU A 60 4.578 6.215 -15.923 1.00 64.33 C ATOM 0 H LEU A 60 4.412 3.135 -19.988 1.00 32.02 H new ATOM 0 HA LEU A 60 5.955 5.618 -19.541 1.00 71.10 H new ATOM 0 HB2 LEU A 60 4.730 3.711 -17.536 1.00 15.00 H new ATOM 0 HB3 LEU A 60 6.133 4.679 -17.130 1.00 15.00 H new ATOM 0 HG LEU A 60 4.559 6.657 -18.010 1.00 22.11 H new ATOM 0 HD11 LEU A 60 2.235 6.268 -17.289 1.00 62.41 H new ATOM 0 HD12 LEU A 60 2.703 5.187 -18.623 1.00 62.41 H new ATOM 0 HD13 LEU A 60 2.628 4.565 -16.958 1.00 62.41 H new ATOM 0 HD21 LEU A 60 3.918 7.042 -15.661 1.00 64.33 H new ATOM 0 HD22 LEU A 60 4.378 5.369 -15.266 1.00 64.33 H new ATOM 0 HD23 LEU A 60 5.616 6.527 -15.806 1.00 64.33 H new ATOM 802 N LYS A 61 8.100 4.317 -19.188 1.00 61.20 N ATOM 803 CA LYS A 61 9.355 3.582 -19.294 1.00 73.51 C ATOM 804 C LYS A 61 10.519 4.412 -18.763 1.00 34.14 C ATOM 805 O LYS A 61 11.003 4.181 -17.654 1.00 52.34 O ATOM 806 CB LYS A 61 9.618 3.188 -20.750 1.00 13.35 C ATOM 807 CG LYS A 61 10.982 2.559 -20.973 1.00 1.24 C ATOM 808 CD LYS A 61 10.877 1.264 -21.761 1.00 1.52 C ATOM 809 CE LYS A 61 10.206 0.169 -20.946 1.00 63.14 C ATOM 810 NZ LYS A 61 11.166 -0.903 -20.562 1.00 51.00 N ATOM 0 H LYS A 61 8.209 5.307 -18.969 1.00 61.20 H new ATOM 0 HA LYS A 61 9.270 2.679 -18.689 1.00 73.51 H new ATOM 0 HB2 LYS A 61 8.847 2.488 -21.073 1.00 13.35 H new ATOM 0 HB3 LYS A 61 9.528 4.074 -21.379 1.00 13.35 H new ATOM 0 HG2 LYS A 61 11.624 3.260 -21.507 1.00 1.24 H new ATOM 0 HG3 LYS A 61 11.455 2.363 -20.011 1.00 1.24 H new ATOM 0 HD2 LYS A 61 10.310 1.438 -22.675 1.00 1.52 H new ATOM 0 HD3 LYS A 61 11.873 0.938 -22.061 1.00 1.52 H new ATOM 0 HE2 LYS A 61 9.767 0.602 -20.047 1.00 63.14 H new ATOM 0 HE3 LYS A 61 9.389 -0.264 -21.523 1.00 63.14 H new ATOM 0 HZ1 LYS A 61 10.671 -1.630 -20.008 1.00 51.00 H new ATOM 0 HZ2 LYS A 61 11.566 -1.334 -21.420 1.00 51.00 H new ATOM 0 HZ3 LYS A 61 11.932 -0.494 -19.990 1.00 51.00 H new ATOM 824 N ASP A 62 10.962 5.379 -19.559 1.00 32.43 N ATOM 825 CA ASP A 62 12.067 6.245 -19.167 1.00 3.11 C ATOM 826 C ASP A 62 11.610 7.281 -18.145 1.00 52.30 C ATOM 827 O ASP A 62 12.419 8.036 -17.605 1.00 11.52 O ATOM 828 CB ASP A 62 12.654 6.945 -20.394 1.00 23.03 C ATOM 829 CG ASP A 62 14.140 6.686 -20.553 1.00 35.23 C ATOM 830 OD1 ASP A 62 14.939 7.412 -19.926 1.00 54.41 O ATOM 831 OD2 ASP A 62 14.503 5.757 -21.304 1.00 70.24 O ATOM 0 H ASP A 62 10.573 5.583 -20.480 1.00 32.43 H new ATOM 0 HA ASP A 62 12.837 5.625 -18.709 1.00 3.11 H new ATOM 0 HB2 ASP A 62 12.131 6.604 -21.288 1.00 23.03 H new ATOM 0 HB3 ASP A 62 12.482 8.018 -20.313 1.00 23.03 H new ATOM 836 N THR A 63 10.307 7.313 -17.885 1.00 35.15 N ATOM 837 CA THR A 63 9.741 8.257 -16.930 1.00 14.52 C ATOM 838 C THR A 63 10.358 8.079 -15.548 1.00 30.55 C ATOM 839 O THR A 63 10.291 8.975 -14.708 1.00 3.33 O ATOM 840 CB THR A 63 8.212 8.099 -16.821 1.00 43.13 C ATOM 841 OG1 THR A 63 7.662 7.772 -18.102 1.00 55.31 O ATOM 842 CG2 THR A 63 7.572 9.376 -16.299 1.00 54.10 C ATOM 0 H THR A 63 9.623 6.695 -18.323 1.00 35.15 H new ATOM 0 HA THR A 63 9.970 9.256 -17.301 1.00 14.52 H new ATOM 0 HB THR A 63 8.001 7.293 -16.118 1.00 43.13 H new ATOM 0 HG1 THR A 63 6.690 7.671 -18.025 1.00 55.31 H new ATOM 0 HG21 THR A 63 6.493 9.240 -16.231 1.00 54.10 H new ATOM 0 HG22 THR A 63 7.972 9.606 -15.312 1.00 54.10 H new ATOM 0 HG23 THR A 63 7.792 10.198 -16.980 1.00 54.10 H new ATOM 850 N GLU A 64 10.959 6.915 -15.319 1.00 20.00 N ATOM 851 CA GLU A 64 11.588 6.620 -14.037 1.00 63.21 C ATOM 852 C GLU A 64 10.550 6.573 -12.919 1.00 43.15 C ATOM 853 O GLU A 64 10.091 5.500 -12.527 1.00 11.13 O ATOM 854 CB GLU A 64 12.655 7.668 -13.714 1.00 11.20 C ATOM 855 CG GLU A 64 14.074 7.192 -13.973 1.00 4.03 C ATOM 856 CD GLU A 64 15.065 7.736 -12.962 1.00 65.20 C ATOM 857 OE1 GLU A 64 14.900 7.454 -11.757 1.00 14.51 O ATOM 858 OE2 GLU A 64 16.008 8.443 -13.377 1.00 55.03 O ATOM 0 H GLU A 64 11.023 6.162 -16.004 1.00 20.00 H new ATOM 0 HA GLU A 64 12.061 5.641 -14.111 1.00 63.21 H new ATOM 0 HB2 GLU A 64 12.466 8.562 -14.309 1.00 11.20 H new ATOM 0 HB3 GLU A 64 12.563 7.957 -12.667 1.00 11.20 H new ATOM 0 HG2 GLU A 64 14.098 6.103 -13.950 1.00 4.03 H new ATOM 0 HG3 GLU A 64 14.378 7.496 -14.975 1.00 4.03 H new ATOM 865 N THR A 65 10.185 7.745 -12.410 1.00 12.42 N ATOM 866 CA THR A 65 9.203 7.840 -11.337 1.00 22.43 C ATOM 867 C THR A 65 7.822 8.180 -11.884 1.00 13.14 C ATOM 868 O THR A 65 7.696 8.764 -12.961 1.00 34.21 O ATOM 869 CB THR A 65 9.607 8.902 -10.297 1.00 45.12 C ATOM 870 OG1 THR A 65 9.480 10.212 -10.861 1.00 12.33 O ATOM 871 CG2 THR A 65 11.038 8.683 -9.828 1.00 40.42 C ATOM 0 H THR A 65 10.555 8.642 -12.724 1.00 12.42 H new ATOM 0 HA THR A 65 9.169 6.864 -10.853 1.00 22.43 H new ATOM 0 HB THR A 65 8.942 8.810 -9.438 1.00 45.12 H new ATOM 0 HG1 THR A 65 9.737 10.882 -10.193 1.00 12.33 H new ATOM 0 HG21 THR A 65 11.301 9.445 -9.094 1.00 40.42 H new ATOM 0 HG22 THR A 65 11.125 7.696 -9.374 1.00 40.42 H new ATOM 0 HG23 THR A 65 11.715 8.751 -10.680 1.00 40.42 H new ATOM 879 N LEU A 66 6.787 7.813 -11.135 1.00 64.11 N ATOM 880 CA LEU A 66 5.413 8.081 -11.545 1.00 21.50 C ATOM 881 C LEU A 66 4.793 9.178 -10.686 1.00 35.40 C ATOM 882 O LEU A 66 3.648 9.575 -10.902 1.00 21.31 O ATOM 883 CB LEU A 66 4.574 6.805 -11.448 1.00 51.34 C ATOM 884 CG LEU A 66 3.361 6.728 -12.377 1.00 23.13 C ATOM 885 CD1 LEU A 66 3.174 5.310 -12.893 1.00 33.32 C ATOM 886 CD2 LEU A 66 2.108 7.206 -11.658 1.00 40.11 C ATOM 0 H LEU A 66 6.874 7.329 -10.241 1.00 64.11 H new ATOM 0 HA LEU A 66 5.428 8.421 -12.580 1.00 21.50 H new ATOM 0 HB2 LEU A 66 5.220 5.952 -11.655 1.00 51.34 H new ATOM 0 HB3 LEU A 66 4.227 6.699 -10.420 1.00 51.34 H new ATOM 0 HG LEU A 66 3.538 7.383 -13.230 1.00 23.13 H new ATOM 0 HD11 LEU A 66 2.307 5.274 -13.552 1.00 33.32 H new ATOM 0 HD12 LEU A 66 4.062 5.004 -13.445 1.00 33.32 H new ATOM 0 HD13 LEU A 66 3.019 4.634 -12.052 1.00 33.32 H new ATOM 0 HD21 LEU A 66 1.255 7.144 -12.334 1.00 40.11 H new ATOM 0 HD22 LEU A 66 1.927 6.577 -10.786 1.00 40.11 H new ATOM 0 HD23 LEU A 66 2.244 8.239 -11.338 1.00 40.11 H new ATOM 898 N GLU A 67 5.557 9.664 -9.713 1.00 51.01 N ATOM 899 CA GLU A 67 5.081 10.717 -8.823 1.00 24.41 C ATOM 900 C GLU A 67 4.679 11.958 -9.614 1.00 74.43 C ATOM 901 O GLU A 67 3.638 12.562 -9.355 1.00 20.24 O ATOM 902 CB GLU A 67 6.162 11.078 -7.801 1.00 72.15 C ATOM 903 CG GLU A 67 5.673 12.003 -6.700 1.00 33.14 C ATOM 904 CD GLU A 67 6.255 11.654 -5.344 1.00 33.43 C ATOM 905 OE1 GLU A 67 6.058 10.507 -4.890 1.00 61.15 O ATOM 906 OE2 GLU A 67 6.907 12.528 -4.736 1.00 4.01 O ATOM 0 H GLU A 67 6.507 9.346 -9.521 1.00 51.01 H new ATOM 0 HA GLU A 67 4.203 10.343 -8.297 1.00 24.41 H new ATOM 0 HB2 GLU A 67 6.545 10.162 -7.351 1.00 72.15 H new ATOM 0 HB3 GLU A 67 6.996 11.552 -8.319 1.00 72.15 H new ATOM 0 HG2 GLU A 67 5.936 13.031 -6.951 1.00 33.14 H new ATOM 0 HG3 GLU A 67 4.585 11.956 -6.647 1.00 33.14 H new ATOM 913 N SER A 68 5.511 12.332 -10.580 1.00 41.15 N ATOM 914 CA SER A 68 5.245 13.503 -11.407 1.00 50.43 C ATOM 915 C SER A 68 4.008 13.287 -12.274 1.00 10.13 C ATOM 916 O SER A 68 3.433 14.238 -12.804 1.00 51.42 O ATOM 917 CB SER A 68 6.454 13.814 -12.292 1.00 55.34 C ATOM 918 OG SER A 68 7.075 15.026 -11.900 1.00 53.12 O ATOM 0 H SER A 68 6.375 11.841 -10.809 1.00 41.15 H new ATOM 0 HA SER A 68 5.060 14.349 -10.746 1.00 50.43 H new ATOM 0 HB2 SER A 68 7.173 12.997 -12.231 1.00 55.34 H new ATOM 0 HB3 SER A 68 6.138 13.884 -13.333 1.00 55.34 H new ATOM 0 HG SER A 68 7.845 15.201 -12.480 1.00 53.12 H new ATOM 924 N LEU A 69 3.604 12.029 -12.413 1.00 12.31 N ATOM 925 CA LEU A 69 2.435 11.686 -13.215 1.00 34.32 C ATOM 926 C LEU A 69 1.211 11.471 -12.330 1.00 10.33 C ATOM 927 O LEU A 69 0.081 11.433 -12.814 1.00 72.11 O ATOM 928 CB LEU A 69 2.709 10.427 -14.039 1.00 20.41 C ATOM 929 CG LEU A 69 3.394 10.644 -15.388 1.00 63.35 C ATOM 930 CD1 LEU A 69 4.643 11.495 -15.222 1.00 42.30 C ATOM 931 CD2 LEU A 69 3.739 9.309 -16.033 1.00 33.23 C ATOM 0 H LEU A 69 4.068 11.230 -11.981 1.00 12.31 H new ATOM 0 HA LEU A 69 2.232 12.518 -13.890 1.00 34.32 H new ATOM 0 HB2 LEU A 69 3.327 9.755 -13.444 1.00 20.41 H new ATOM 0 HB3 LEU A 69 1.761 9.918 -14.213 1.00 20.41 H new ATOM 0 HG LEU A 69 2.702 11.174 -16.043 1.00 63.35 H new ATOM 0 HD11 LEU A 69 5.117 11.639 -16.193 1.00 42.30 H new ATOM 0 HD12 LEU A 69 4.370 12.464 -14.804 1.00 42.30 H new ATOM 0 HD13 LEU A 69 5.339 10.993 -14.549 1.00 42.30 H new ATOM 0 HD21 LEU A 69 4.226 9.484 -16.992 1.00 33.23 H new ATOM 0 HD22 LEU A 69 4.412 8.753 -15.380 1.00 33.23 H new ATOM 0 HD23 LEU A 69 2.826 8.733 -16.189 1.00 33.23 H new ATOM 943 N GLY A 70 1.445 11.334 -11.028 1.00 1.20 N ATOM 944 CA GLY A 70 0.352 11.128 -10.095 1.00 65.35 C ATOM 945 C GLY A 70 0.249 9.688 -9.634 1.00 32.35 C ATOM 946 O GLY A 70 -0.427 8.873 -10.262 1.00 55.42 O ATOM 0 H GLY A 70 2.372 11.362 -10.603 1.00 1.20 H new ATOM 0 HA2 GLY A 70 0.491 11.775 -9.229 1.00 65.35 H new ATOM 0 HA3 GLY A 70 -0.585 11.423 -10.567 1.00 65.35 H new ATOM 950 N VAL A 71 0.922 9.371 -8.532 1.00 43.20 N ATOM 951 CA VAL A 71 0.904 8.019 -7.986 1.00 53.25 C ATOM 952 C VAL A 71 -0.296 7.814 -7.068 1.00 61.43 C ATOM 953 O VAL A 71 -0.673 8.709 -6.313 1.00 25.35 O ATOM 954 CB VAL A 71 2.194 7.712 -7.204 1.00 1.04 C ATOM 955 CG1 VAL A 71 2.140 6.311 -6.613 1.00 41.24 C ATOM 956 CG2 VAL A 71 3.412 7.875 -8.100 1.00 42.21 C ATOM 0 H VAL A 71 1.487 10.033 -8.000 1.00 43.20 H new ATOM 0 HA VAL A 71 0.831 7.336 -8.833 1.00 53.25 H new ATOM 0 HB VAL A 71 2.278 8.424 -6.383 1.00 1.04 H new ATOM 0 HG11 VAL A 71 3.060 6.112 -6.064 1.00 41.24 H new ATOM 0 HG12 VAL A 71 1.290 6.234 -5.936 1.00 41.24 H new ATOM 0 HG13 VAL A 71 2.031 5.581 -7.416 1.00 41.24 H new ATOM 0 HG21 VAL A 71 4.315 7.654 -7.531 1.00 42.21 H new ATOM 0 HG22 VAL A 71 3.338 7.188 -8.943 1.00 42.21 H new ATOM 0 HG23 VAL A 71 3.458 8.900 -8.469 1.00 42.21 H new ATOM 966 N ALA A 72 -0.892 6.628 -7.139 1.00 60.13 N ATOM 967 CA ALA A 72 -2.048 6.303 -6.313 1.00 3.35 C ATOM 968 C ALA A 72 -1.953 4.881 -5.771 1.00 72.11 C ATOM 969 O ALA A 72 -1.408 3.992 -6.426 1.00 2.33 O ATOM 970 CB ALA A 72 -3.333 6.483 -7.107 1.00 45.25 C ATOM 0 H ALA A 72 -0.593 5.876 -7.760 1.00 60.13 H new ATOM 0 HA ALA A 72 -2.060 6.987 -5.465 1.00 3.35 H new ATOM 0 HB1 ALA A 72 -4.188 6.237 -6.477 1.00 45.25 H new ATOM 0 HB2 ALA A 72 -3.414 7.518 -7.439 1.00 45.25 H new ATOM 0 HB3 ALA A 72 -3.320 5.824 -7.975 1.00 45.25 H new ATOM 976 N ASP A 73 -2.487 4.673 -4.573 1.00 22.45 N ATOM 977 CA ASP A 73 -2.463 3.357 -3.943 1.00 1.30 C ATOM 978 C ASP A 73 -3.510 2.438 -4.565 1.00 2.25 C ATOM 979 O ASP A 73 -4.694 2.769 -4.608 1.00 41.31 O ATOM 980 CB ASP A 73 -2.706 3.484 -2.438 1.00 52.03 C ATOM 981 CG ASP A 73 -1.480 3.972 -1.693 1.00 1.44 C ATOM 982 OD1 ASP A 73 -0.481 4.319 -2.357 1.00 11.01 O ATOM 983 OD2 ASP A 73 -1.519 4.007 -0.445 1.00 4.13 O ATOM 0 H ASP A 73 -2.942 5.398 -4.018 1.00 22.45 H new ATOM 0 HA ASP A 73 -1.478 2.920 -4.108 1.00 1.30 H new ATOM 0 HB2 ASP A 73 -3.532 4.173 -2.263 1.00 52.03 H new ATOM 0 HB3 ASP A 73 -3.009 2.516 -2.039 1.00 52.03 H new ATOM 988 N GLY A 74 -3.064 1.282 -5.046 1.00 20.31 N ATOM 989 CA GLY A 74 -3.975 0.333 -5.660 1.00 2.22 C ATOM 990 C GLY A 74 -4.151 0.577 -7.146 1.00 23.24 C ATOM 991 O GLY A 74 -5.151 0.166 -7.735 1.00 3.13 O ATOM 0 H GLY A 74 -2.088 0.985 -5.022 1.00 20.31 H new ATOM 0 HA2 GLY A 74 -3.601 -0.679 -5.503 1.00 2.22 H new ATOM 0 HA3 GLY A 74 -4.945 0.394 -5.167 1.00 2.22 H new ATOM 995 N ASP A 75 -3.178 1.248 -7.753 1.00 30.34 N ATOM 996 CA ASP A 75 -3.230 1.546 -9.179 1.00 41.21 C ATOM 997 C ASP A 75 -3.451 0.275 -9.993 1.00 22.23 C ATOM 998 O ASP A 75 -3.157 -0.829 -9.533 1.00 3.34 O ATOM 999 CB ASP A 75 -1.939 2.234 -9.625 1.00 41.22 C ATOM 1000 CG ASP A 75 -2.033 3.746 -9.551 1.00 24.52 C ATOM 1001 OD1 ASP A 75 -3.122 4.287 -9.834 1.00 2.41 O ATOM 1002 OD2 ASP A 75 -1.017 4.386 -9.209 1.00 12.44 O ATOM 0 H ASP A 75 -2.344 1.596 -7.280 1.00 30.34 H new ATOM 0 HA ASP A 75 -4.070 2.218 -9.354 1.00 41.21 H new ATOM 0 HB2 ASP A 75 -1.114 1.893 -8.999 1.00 41.22 H new ATOM 0 HB3 ASP A 75 -1.707 1.937 -10.648 1.00 41.22 H new ATOM 1007 N LYS A 76 -3.972 0.437 -11.204 1.00 64.22 N ATOM 1008 CA LYS A 76 -4.232 -0.697 -12.083 1.00 55.13 C ATOM 1009 C LYS A 76 -3.207 -0.758 -13.211 1.00 32.10 C ATOM 1010 O LYS A 76 -2.969 0.233 -13.902 1.00 12.04 O ATOM 1011 CB LYS A 76 -5.644 -0.601 -12.667 1.00 63.55 C ATOM 1012 CG LYS A 76 -6.692 -1.332 -11.847 1.00 14.24 C ATOM 1013 CD LYS A 76 -7.131 -0.512 -10.645 1.00 5.42 C ATOM 1014 CE LYS A 76 -8.098 0.592 -11.046 1.00 24.23 C ATOM 1015 NZ LYS A 76 -9.511 0.123 -11.032 1.00 21.25 N ATOM 0 H LYS A 76 -4.223 1.343 -11.600 1.00 64.22 H new ATOM 0 HA LYS A 76 -4.150 -1.609 -11.492 1.00 55.13 H new ATOM 0 HB2 LYS A 76 -5.925 0.449 -12.747 1.00 63.55 H new ATOM 0 HB3 LYS A 76 -5.638 -1.007 -13.679 1.00 63.55 H new ATOM 0 HG2 LYS A 76 -7.556 -1.553 -12.473 1.00 14.24 H new ATOM 0 HG3 LYS A 76 -6.290 -2.287 -11.510 1.00 14.24 H new ATOM 0 HD2 LYS A 76 -7.606 -1.164 -9.912 1.00 5.42 H new ATOM 0 HD3 LYS A 76 -6.257 -0.074 -10.163 1.00 5.42 H new ATOM 0 HE2 LYS A 76 -7.989 1.436 -10.365 1.00 24.23 H new ATOM 0 HE3 LYS A 76 -7.845 0.952 -12.043 1.00 24.23 H new ATOM 0 HZ1 LYS A 76 -10.139 0.904 -11.311 1.00 21.25 H new ATOM 0 HZ2 LYS A 76 -9.622 -0.666 -11.701 1.00 21.25 H new ATOM 0 HZ3 LYS A 76 -9.761 -0.197 -10.075 1.00 21.25 H new ATOM 1029 N PHE A 77 -2.604 -1.928 -13.393 1.00 62.11 N ATOM 1030 CA PHE A 77 -1.604 -2.118 -14.438 1.00 33.42 C ATOM 1031 C PHE A 77 -2.065 -3.167 -15.446 1.00 44.13 C ATOM 1032 O PHE A 77 -2.670 -4.174 -15.079 1.00 63.32 O ATOM 1033 CB PHE A 77 -0.267 -2.538 -13.823 1.00 52.45 C ATOM 1034 CG PHE A 77 0.670 -1.388 -13.587 1.00 23.34 C ATOM 1035 CD1 PHE A 77 0.210 -0.204 -13.033 1.00 70.40 C ATOM 1036 CD2 PHE A 77 2.012 -1.492 -13.917 1.00 11.10 C ATOM 1037 CE1 PHE A 77 1.070 0.855 -12.815 1.00 24.12 C ATOM 1038 CE2 PHE A 77 2.877 -0.436 -13.701 1.00 2.14 C ATOM 1039 CZ PHE A 77 2.406 0.739 -13.148 1.00 31.41 C ATOM 0 H PHE A 77 -2.790 -2.759 -12.831 1.00 62.11 H new ATOM 0 HA PHE A 77 -1.474 -1.170 -14.960 1.00 33.42 H new ATOM 0 HB2 PHE A 77 -0.454 -3.044 -12.876 1.00 52.45 H new ATOM 0 HB3 PHE A 77 0.216 -3.261 -14.481 1.00 52.45 H new ATOM 0 HD1 PHE A 77 -0.833 -0.108 -12.769 1.00 70.40 H new ATOM 0 HD2 PHE A 77 2.386 -2.409 -14.348 1.00 11.10 H new ATOM 0 HE1 PHE A 77 0.698 1.773 -12.385 1.00 24.12 H new ATOM 0 HE2 PHE A 77 3.920 -0.529 -13.964 1.00 2.14 H new ATOM 0 HZ PHE A 77 3.080 1.565 -12.976 1.00 31.41 H new ATOM 1049 N VAL A 78 -1.774 -2.922 -16.720 1.00 42.01 N ATOM 1050 CA VAL A 78 -2.157 -3.844 -17.783 1.00 24.14 C ATOM 1051 C VAL A 78 -0.929 -4.419 -18.480 1.00 41.22 C ATOM 1052 O VAL A 78 -0.076 -3.678 -18.971 1.00 52.31 O ATOM 1053 CB VAL A 78 -3.052 -3.154 -18.829 1.00 31.22 C ATOM 1054 CG1 VAL A 78 -3.584 -4.169 -19.829 1.00 71.10 C ATOM 1055 CG2 VAL A 78 -4.194 -2.415 -18.148 1.00 32.43 C ATOM 0 H VAL A 78 -1.274 -2.093 -17.041 1.00 42.01 H new ATOM 0 HA VAL A 78 -2.717 -4.653 -17.314 1.00 24.14 H new ATOM 0 HB VAL A 78 -2.451 -2.425 -19.372 1.00 31.22 H new ATOM 0 HG11 VAL A 78 -4.214 -3.663 -20.560 1.00 71.10 H new ATOM 0 HG12 VAL A 78 -2.749 -4.649 -20.340 1.00 71.10 H new ATOM 0 HG13 VAL A 78 -4.170 -4.923 -19.305 1.00 71.10 H new ATOM 0 HG21 VAL A 78 -4.816 -1.933 -18.902 1.00 32.43 H new ATOM 0 HG22 VAL A 78 -4.796 -3.122 -17.578 1.00 32.43 H new ATOM 0 HG23 VAL A 78 -3.788 -1.659 -17.475 1.00 32.43 H new ATOM 1065 N LEU A 79 -0.845 -5.744 -18.521 1.00 40.14 N ATOM 1066 CA LEU A 79 0.279 -6.420 -19.160 1.00 50.11 C ATOM 1067 C LEU A 79 -0.133 -7.009 -20.505 1.00 72.51 C ATOM 1068 O LEU A 79 -1.162 -7.678 -20.612 1.00 25.55 O ATOM 1069 CB LEU A 79 0.819 -7.524 -18.250 1.00 62.42 C ATOM 1070 CG LEU A 79 2.300 -7.426 -17.881 1.00 51.13 C ATOM 1071 CD1 LEU A 79 2.640 -8.409 -16.772 1.00 1.22 C ATOM 1072 CD2 LEU A 79 3.172 -7.676 -19.103 1.00 53.53 C ATOM 0 H LEU A 79 -1.542 -6.372 -18.119 1.00 40.14 H new ATOM 0 HA LEU A 79 1.064 -5.684 -19.333 1.00 50.11 H new ATOM 0 HB2 LEU A 79 0.235 -7.526 -17.329 1.00 62.42 H new ATOM 0 HB3 LEU A 79 0.649 -8.484 -18.737 1.00 62.42 H new ATOM 0 HG LEU A 79 2.498 -6.417 -17.518 1.00 51.13 H new ATOM 0 HD11 LEU A 79 3.698 -8.325 -16.523 1.00 1.22 H new ATOM 0 HD12 LEU A 79 2.040 -8.184 -15.890 1.00 1.22 H new ATOM 0 HD13 LEU A 79 2.426 -9.424 -17.107 1.00 1.22 H new ATOM 0 HD21 LEU A 79 4.222 -7.602 -18.822 1.00 53.53 H new ATOM 0 HD22 LEU A 79 2.971 -8.673 -19.496 1.00 53.53 H new ATOM 0 HD23 LEU A 79 2.948 -6.932 -19.868 1.00 53.53 H new ATOM 1084 N ILE A 80 0.676 -6.759 -21.528 1.00 45.43 N ATOM 1085 CA ILE A 80 0.397 -7.267 -22.865 1.00 63.53 C ATOM 1086 C ILE A 80 1.416 -8.326 -23.274 1.00 72.13 C ATOM 1087 O ILE A 80 2.586 -8.258 -22.896 1.00 52.21 O ATOM 1088 CB ILE A 80 0.402 -6.136 -23.911 1.00 35.35 C ATOM 1089 CG1 ILE A 80 -0.560 -5.022 -23.492 1.00 71.21 C ATOM 1090 CG2 ILE A 80 0.027 -6.680 -25.281 1.00 74.10 C ATOM 1091 CD1 ILE A 80 0.082 -3.965 -22.621 1.00 31.41 C ATOM 0 H ILE A 80 1.531 -6.207 -21.457 1.00 45.43 H new ATOM 0 HA ILE A 80 -0.596 -7.714 -22.831 1.00 63.53 H new ATOM 0 HB ILE A 80 1.408 -5.719 -23.971 1.00 35.35 H new ATOM 0 HG12 ILE A 80 -0.965 -4.548 -24.386 1.00 71.21 H new ATOM 0 HG13 ILE A 80 -1.401 -5.462 -22.956 1.00 71.21 H new ATOM 0 HG21 ILE A 80 0.035 -5.869 -26.009 1.00 74.10 H new ATOM 0 HG22 ILE A 80 0.747 -7.442 -25.579 1.00 74.10 H new ATOM 0 HG23 ILE A 80 -0.970 -7.119 -25.238 1.00 74.10 H new ATOM 0 HD11 ILE A 80 -0.658 -3.208 -22.362 1.00 31.41 H new ATOM 0 HD12 ILE A 80 0.463 -4.426 -21.710 1.00 31.41 H new ATOM 0 HD13 ILE A 80 0.905 -3.498 -23.162 1.00 31.41 H new ATOM 1103 N THR A 81 0.964 -9.305 -24.052 1.00 31.43 N ATOM 1104 CA THR A 81 1.835 -10.379 -24.513 1.00 41.44 C ATOM 1105 C THR A 81 1.738 -10.554 -26.025 1.00 31.14 C ATOM 1106 O THR A 81 0.648 -10.508 -26.595 1.00 41.04 O ATOM 1107 CB THR A 81 1.491 -11.715 -23.830 1.00 34.23 C ATOM 1108 OG1 THR A 81 2.257 -12.775 -24.412 1.00 72.34 O ATOM 1109 CG2 THR A 81 0.007 -12.024 -23.961 1.00 12.41 C ATOM 0 H THR A 81 -0.001 -9.376 -24.376 1.00 31.43 H new ATOM 0 HA THR A 81 2.853 -10.096 -24.247 1.00 41.44 H new ATOM 0 HB THR A 81 1.736 -11.629 -22.771 1.00 34.23 H new ATOM 0 HG1 THR A 81 2.033 -13.621 -23.971 1.00 72.34 H new ATOM 0 HG21 THR A 81 -0.212 -12.973 -23.471 1.00 12.41 H new ATOM 0 HG22 THR A 81 -0.573 -11.230 -23.490 1.00 12.41 H new ATOM 0 HG23 THR A 81 -0.259 -12.091 -25.016 1.00 12.41 H new ATOM 1117 N ARG A 82 2.884 -10.756 -26.667 1.00 74.00 N ATOM 1118 CA ARG A 82 2.927 -10.938 -28.113 1.00 31.01 C ATOM 1119 C ARG A 82 3.346 -12.361 -28.469 1.00 62.24 C ATOM 1120 O ARG A 82 4.267 -12.918 -27.870 1.00 51.13 O ATOM 1121 CB ARG A 82 3.895 -9.936 -28.746 1.00 34.34 C ATOM 1122 CG ARG A 82 3.286 -9.139 -29.888 1.00 33.24 C ATOM 1123 CD ARG A 82 2.244 -8.153 -29.385 1.00 15.43 C ATOM 1124 NE ARG A 82 1.795 -7.246 -30.438 1.00 1.20 N ATOM 1125 CZ ARG A 82 0.671 -6.540 -30.371 1.00 64.53 C ATOM 1126 NH1 ARG A 82 -0.113 -6.637 -29.307 1.00 54.40 N ATOM 1127 NH2 ARG A 82 0.331 -5.736 -31.371 1.00 21.45 N ATOM 0 H ARG A 82 3.794 -10.798 -26.209 1.00 74.00 H new ATOM 0 HA ARG A 82 1.926 -10.763 -28.506 1.00 31.01 H new ATOM 0 HB2 ARG A 82 4.244 -9.246 -27.978 1.00 34.34 H new ATOM 0 HB3 ARG A 82 4.770 -10.472 -29.114 1.00 34.34 H new ATOM 0 HG2 ARG A 82 4.072 -8.601 -30.417 1.00 33.24 H new ATOM 0 HG3 ARG A 82 2.828 -9.820 -30.605 1.00 33.24 H new ATOM 0 HD2 ARG A 82 1.389 -8.700 -28.989 1.00 15.43 H new ATOM 0 HD3 ARG A 82 2.661 -7.574 -28.561 1.00 15.43 H new ATOM 0 HE ARG A 82 2.376 -7.149 -31.271 1.00 1.20 H new ATOM 0 HH11 ARG A 82 0.146 -7.254 -28.537 1.00 54.40 H new ATOM 0 HH12 ARG A 82 -0.975 -6.094 -29.258 1.00 54.40 H new ATOM 0 HH21 ARG A 82 0.932 -5.660 -32.191 1.00 21.45 H new ATOM 0 HH22 ARG A 82 -0.532 -5.194 -31.319 1.00 21.45 H new ATOM 1141 N THR A 83 2.664 -12.946 -29.449 1.00 53.01 N ATOM 1142 CA THR A 83 2.963 -14.304 -29.884 1.00 64.15 C ATOM 1143 C THR A 83 3.969 -14.305 -31.030 1.00 54.15 C ATOM 1144 O THR A 83 4.715 -15.267 -31.214 1.00 51.45 O ATOM 1145 CB THR A 83 1.689 -15.044 -30.334 1.00 24.13 C ATOM 1146 OG1 THR A 83 1.991 -16.417 -30.607 1.00 32.11 O ATOM 1147 CG2 THR A 83 1.095 -14.394 -31.574 1.00 14.23 C ATOM 0 H THR A 83 1.900 -12.500 -29.957 1.00 53.01 H new ATOM 0 HA THR A 83 3.392 -14.823 -29.027 1.00 64.15 H new ATOM 0 HB THR A 83 0.958 -14.986 -29.528 1.00 24.13 H new ATOM 0 HG1 THR A 83 1.176 -16.881 -30.891 1.00 32.11 H new ATOM 0 HG21 THR A 83 0.196 -14.934 -31.873 1.00 14.23 H new ATOM 0 HG22 THR A 83 0.839 -13.357 -31.354 1.00 14.23 H new ATOM 0 HG23 THR A 83 1.823 -14.424 -32.385 1.00 14.23 H new ATOM 1155 N VAL A 84 3.984 -13.220 -31.799 1.00 72.40 N ATOM 1156 CA VAL A 84 4.899 -13.095 -32.927 1.00 24.42 C ATOM 1157 C VAL A 84 6.075 -12.188 -32.582 1.00 61.12 C ATOM 1158 O VAL A 84 6.059 -11.492 -31.568 1.00 24.43 O ATOM 1159 CB VAL A 84 4.184 -12.539 -34.172 1.00 35.11 C ATOM 1160 CG1 VAL A 84 3.022 -13.439 -34.567 1.00 1.53 C ATOM 1161 CG2 VAL A 84 3.706 -11.117 -33.920 1.00 53.04 C ATOM 0 H VAL A 84 3.373 -12.415 -31.661 1.00 72.40 H new ATOM 0 HA VAL A 84 5.268 -14.097 -33.147 1.00 24.42 H new ATOM 0 HB VAL A 84 4.894 -12.519 -34.999 1.00 35.11 H new ATOM 0 HG11 VAL A 84 2.529 -13.030 -35.449 1.00 1.53 H new ATOM 0 HG12 VAL A 84 3.395 -14.438 -34.791 1.00 1.53 H new ATOM 0 HG13 VAL A 84 2.309 -13.494 -33.745 1.00 1.53 H new ATOM 0 HG21 VAL A 84 3.203 -10.739 -34.810 1.00 53.04 H new ATOM 0 HG22 VAL A 84 3.011 -11.110 -33.080 1.00 53.04 H new ATOM 0 HG23 VAL A 84 4.561 -10.481 -33.689 1.00 53.04 H new ATOM 1171 N GLY A 85 7.095 -12.200 -33.435 1.00 61.22 N ATOM 1172 CA GLY A 85 8.265 -11.374 -33.204 1.00 4.11 C ATOM 1173 C GLY A 85 9.303 -12.067 -32.344 1.00 4.25 C ATOM 1174 O GLY A 85 10.078 -12.888 -32.834 1.00 44.53 O ATOM 0 H GLY A 85 7.132 -12.767 -34.282 1.00 61.22 H new ATOM 0 HA2 GLY A 85 8.711 -11.106 -34.162 1.00 4.11 H new ATOM 0 HA3 GLY A 85 7.961 -10.445 -32.723 1.00 4.11 H new TER 1178 GLY A 85