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 Set 1.1: A 65 THR OG1 : rot -148:sc= -0.981 USER MOD Set 1.2: A 68 SER OG : rot -159:sc= -0.069 USER MOD Set 2.1: A 41 CYS SG : rot -89:sc= -0.182 USER MOD Set 2.2: A 51 THR OG1 : rot 30:sc= 0.183 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 31:sc= 0.0593 USER MOD Single : A 30 ASN : amide:sc= -0.305 K(o=-0.3,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00911 USER MOD Single : A 38 THR OG1 : rot 83:sc= 1.3 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+ -140:sc= -0.713 (180deg=-4.02!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 137:sc= 0.781 USER MOD Single : A 54 THR OG1 : rot 131:sc= -0.579 USER MOD Single : A 55 TYR OH : rot -122:sc= -3.31! 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 -119:sc= 0.0334 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.318 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.165 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 1.091 0.204 -0.590 1.00 15.32 N ATOM 2 CA MET A 9 2.088 0.034 -1.640 1.00 2.12 C ATOM 3 C MET A 9 1.864 -1.271 -2.397 1.00 33.13 C ATOM 4 O MET A 9 2.792 -2.057 -2.589 1.00 33.02 O ATOM 5 CB MET A 9 3.497 0.055 -1.043 1.00 14.32 C ATOM 6 CG MET A 9 3.742 -1.046 -0.025 1.00 32.53 C ATOM 7 SD MET A 9 3.965 -0.410 1.647 1.00 0.14 S ATOM 8 CE MET A 9 2.639 -1.250 2.509 1.00 14.04 C ATOM 0 HA MET A 9 1.985 0.862 -2.341 1.00 2.12 H new ATOM 0 HB2 MET A 9 4.225 -0.038 -1.849 1.00 14.32 H new ATOM 0 HB3 MET A 9 3.667 1.022 -0.569 1.00 14.32 H new ATOM 0 HG2 MET A 9 2.901 -1.740 -0.036 1.00 32.53 H new ATOM 0 HG3 MET A 9 4.627 -1.613 -0.315 1.00 32.53 H new ATOM 0 HE1 MET A 9 2.646 -0.959 3.559 1.00 14.04 H new ATOM 0 HE2 MET A 9 1.683 -0.975 2.062 1.00 14.04 H new ATOM 0 HE3 MET A 9 2.780 -2.328 2.431 1.00 14.04 H new ATOM 18 N LYS A 10 0.626 -1.496 -2.824 1.00 60.53 N ATOM 19 CA LYS A 10 0.279 -2.706 -3.561 1.00 50.21 C ATOM 20 C LYS A 10 -0.235 -2.364 -4.956 1.00 64.43 C ATOM 21 O LYS A 10 -1.010 -1.423 -5.129 1.00 63.32 O ATOM 22 CB LYS A 10 -0.779 -3.506 -2.798 1.00 70.55 C ATOM 23 CG LYS A 10 -0.198 -4.604 -1.924 1.00 61.11 C ATOM 24 CD LYS A 10 -0.451 -5.981 -2.516 1.00 5.35 C ATOM 25 CE LYS A 10 0.245 -7.069 -1.712 1.00 42.20 C ATOM 26 NZ LYS A 10 -0.690 -8.165 -1.337 1.00 32.12 N ATOM 0 H LYS A 10 -0.154 -0.856 -2.672 1.00 60.53 H new ATOM 0 HA LYS A 10 1.180 -3.311 -3.663 1.00 50.21 H new ATOM 0 HB2 LYS A 10 -1.358 -2.825 -2.174 1.00 70.55 H new ATOM 0 HB3 LYS A 10 -1.472 -3.950 -3.513 1.00 70.55 H new ATOM 0 HG2 LYS A 10 0.875 -4.448 -1.808 1.00 61.11 H new ATOM 0 HG3 LYS A 10 -0.638 -4.549 -0.928 1.00 61.11 H new ATOM 0 HD2 LYS A 10 -1.523 -6.176 -2.542 1.00 5.35 H new ATOM 0 HD3 LYS A 10 -0.097 -6.006 -3.547 1.00 5.35 H new ATOM 0 HE2 LYS A 10 1.070 -7.479 -2.294 1.00 42.20 H new ATOM 0 HE3 LYS A 10 0.676 -6.635 -0.810 1.00 42.20 H new ATOM 0 HZ1 LYS A 10 -0.178 -8.886 -0.790 1.00 32.12 H new ATOM 0 HZ2 LYS A 10 -1.464 -7.779 -0.760 1.00 32.12 H new ATOM 0 HZ3 LYS A 10 -1.082 -8.597 -2.198 1.00 32.12 H new ATOM 40 N ILE A 11 0.201 -3.135 -5.947 1.00 70.11 N ATOM 41 CA ILE A 11 -0.217 -2.915 -7.326 1.00 13.11 C ATOM 42 C ILE A 11 -0.777 -4.193 -7.941 1.00 51.03 C ATOM 43 O ILE A 11 -0.305 -5.293 -7.652 1.00 55.14 O ATOM 44 CB ILE A 11 0.950 -2.409 -8.194 1.00 54.23 C ATOM 45 CG1 ILE A 11 2.144 -3.359 -8.086 1.00 2.33 C ATOM 46 CG2 ILE A 11 1.347 -1.000 -7.779 1.00 33.10 C ATOM 47 CD1 ILE A 11 3.029 -3.359 -9.312 1.00 62.24 C ATOM 0 H ILE A 11 0.843 -3.917 -5.820 1.00 70.11 H new ATOM 0 HA ILE A 11 -0.997 -2.154 -7.302 1.00 13.11 H new ATOM 0 HB ILE A 11 0.625 -2.382 -9.234 1.00 54.23 H new ATOM 0 HG12 ILE A 11 2.741 -3.082 -7.217 1.00 2.33 H new ATOM 0 HG13 ILE A 11 1.778 -4.371 -7.912 1.00 2.33 H new ATOM 0 HG21 ILE A 11 2.173 -0.656 -8.402 1.00 33.10 H new ATOM 0 HG22 ILE A 11 0.496 -0.331 -7.904 1.00 33.10 H new ATOM 0 HG23 ILE A 11 1.657 -1.002 -6.734 1.00 33.10 H new ATOM 0 HD11 ILE A 11 3.855 -4.055 -9.165 1.00 62.24 H new ATOM 0 HD12 ILE A 11 2.447 -3.665 -10.181 1.00 62.24 H new ATOM 0 HD13 ILE A 11 3.424 -2.356 -9.475 1.00 62.24 H new ATOM 59 N LYS A 12 -1.785 -4.041 -8.793 1.00 54.50 N ATOM 60 CA LYS A 12 -2.409 -5.181 -9.453 1.00 71.22 C ATOM 61 C LYS A 12 -2.230 -5.099 -10.966 1.00 22.32 C ATOM 62 O LYS A 12 -2.712 -4.165 -11.607 1.00 60.44 O ATOM 63 CB LYS A 12 -3.899 -5.245 -9.108 1.00 43.42 C ATOM 64 CG LYS A 12 -4.323 -6.563 -8.485 1.00 72.34 C ATOM 65 CD LYS A 12 -5.698 -6.461 -7.846 1.00 4.13 C ATOM 66 CE LYS A 12 -6.434 -7.791 -7.891 1.00 51.04 C ATOM 67 NZ LYS A 12 -7.432 -7.910 -6.793 1.00 34.31 N ATOM 0 H LYS A 12 -2.188 -3.138 -9.043 1.00 54.50 H new ATOM 0 HA LYS A 12 -1.921 -6.087 -9.095 1.00 71.22 H new ATOM 0 HB2 LYS A 12 -4.139 -4.434 -8.421 1.00 43.42 H new ATOM 0 HB3 LYS A 12 -4.481 -5.077 -10.014 1.00 43.42 H new ATOM 0 HG2 LYS A 12 -4.332 -7.341 -9.248 1.00 72.34 H new ATOM 0 HG3 LYS A 12 -3.593 -6.863 -7.733 1.00 72.34 H new ATOM 0 HD2 LYS A 12 -5.596 -6.135 -6.811 1.00 4.13 H new ATOM 0 HD3 LYS A 12 -6.285 -5.702 -8.363 1.00 4.13 H new ATOM 0 HE2 LYS A 12 -6.937 -7.895 -8.852 1.00 51.04 H new ATOM 0 HE3 LYS A 12 -5.715 -8.607 -7.818 1.00 51.04 H new ATOM 0 HZ1 LYS A 12 -7.912 -8.830 -6.859 1.00 34.31 H new ATOM 0 HZ2 LYS A 12 -6.949 -7.836 -5.875 1.00 34.31 H new ATOM 0 HZ3 LYS A 12 -8.133 -7.147 -6.877 1.00 34.31 H new ATOM 81 N ILE A 13 -1.535 -6.082 -11.529 1.00 34.32 N ATOM 82 CA ILE A 13 -1.296 -6.122 -12.966 1.00 43.30 C ATOM 83 C ILE A 13 -1.988 -7.320 -13.606 1.00 62.32 C ATOM 84 O ILE A 13 -1.647 -8.470 -13.327 1.00 13.25 O ATOM 85 CB ILE A 13 0.210 -6.182 -13.284 1.00 70.31 C ATOM 86 CG1 ILE A 13 0.966 -5.122 -12.481 1.00 22.11 C ATOM 87 CG2 ILE A 13 0.444 -5.992 -14.775 1.00 63.03 C ATOM 88 CD1 ILE A 13 1.507 -5.634 -11.164 1.00 42.52 C ATOM 0 H ILE A 13 -1.128 -6.861 -11.012 1.00 34.32 H new ATOM 0 HA ILE A 13 -1.711 -5.203 -13.381 1.00 43.30 H new ATOM 0 HB ILE A 13 0.588 -7.164 -12.999 1.00 70.31 H new ATOM 0 HG12 ILE A 13 1.793 -4.744 -13.082 1.00 22.11 H new ATOM 0 HG13 ILE A 13 0.301 -4.280 -12.289 1.00 22.11 H new ATOM 0 HG21 ILE A 13 1.513 -6.037 -14.984 1.00 63.03 H new ATOM 0 HG22 ILE A 13 -0.067 -6.781 -15.327 1.00 63.03 H new ATOM 0 HG23 ILE A 13 0.054 -5.022 -15.084 1.00 63.03 H new ATOM 0 HD11 ILE A 13 2.031 -4.829 -10.648 1.00 42.52 H new ATOM 0 HD12 ILE A 13 0.682 -5.986 -10.544 1.00 42.52 H new ATOM 0 HD13 ILE A 13 2.198 -6.456 -11.350 1.00 42.52 H new ATOM 100 N VAL A 14 -2.961 -7.044 -14.469 1.00 3.23 N ATOM 101 CA VAL A 14 -3.699 -8.099 -15.152 1.00 35.02 C ATOM 102 C VAL A 14 -3.197 -8.286 -16.579 1.00 31.11 C ATOM 103 O VAL A 14 -3.388 -7.435 -17.447 1.00 40.44 O ATOM 104 CB VAL A 14 -5.209 -7.795 -15.186 1.00 71.43 C ATOM 105 CG1 VAL A 14 -5.461 -6.404 -15.748 1.00 34.42 C ATOM 106 CG2 VAL A 14 -5.946 -8.849 -15.999 1.00 64.23 C ATOM 0 H VAL A 14 -3.256 -6.098 -14.711 1.00 3.23 H new ATOM 0 HA VAL A 14 -3.533 -9.017 -14.589 1.00 35.02 H new ATOM 0 HB VAL A 14 -5.591 -7.823 -14.166 1.00 71.43 H new ATOM 0 HG11 VAL A 14 -6.533 -6.207 -15.764 1.00 34.42 H new ATOM 0 HG12 VAL A 14 -4.965 -5.663 -15.121 1.00 34.42 H new ATOM 0 HG13 VAL A 14 -5.066 -6.344 -16.762 1.00 34.42 H new ATOM 0 HG21 VAL A 14 -7.011 -8.619 -16.013 1.00 64.23 H new ATOM 0 HG22 VAL A 14 -5.563 -8.855 -17.019 1.00 64.23 H new ATOM 0 HG23 VAL A 14 -5.792 -9.829 -15.548 1.00 64.23 H new ATOM 116 N PRO A 15 -2.539 -9.428 -16.830 1.00 11.23 N ATOM 117 CA PRO A 15 -1.996 -9.755 -18.152 1.00 12.45 C ATOM 118 C PRO A 15 -3.091 -10.047 -19.172 1.00 11.12 C ATOM 119 O PRO A 15 -4.114 -10.646 -18.844 1.00 34.45 O ATOM 120 CB PRO A 15 -1.159 -11.010 -17.891 1.00 14.51 C ATOM 121 CG PRO A 15 -1.772 -11.629 -16.682 1.00 44.21 C ATOM 122 CD PRO A 15 -2.275 -10.488 -15.842 1.00 50.32 C ATOM 0 HA PRO A 15 -1.427 -8.927 -18.575 1.00 12.45 H new ATOM 0 HB2 PRO A 15 -1.189 -11.690 -18.742 1.00 14.51 H new ATOM 0 HB3 PRO A 15 -0.112 -10.759 -17.720 1.00 14.51 H new ATOM 0 HG2 PRO A 15 -2.586 -12.299 -16.957 1.00 44.21 H new ATOM 0 HG3 PRO A 15 -1.041 -12.224 -16.135 1.00 44.21 H new ATOM 0 HD2 PRO A 15 -3.177 -10.760 -15.293 1.00 50.32 H new ATOM 0 HD3 PRO A 15 -1.536 -10.175 -15.105 1.00 50.32 H new ATOM 130 N ALA A 16 -2.869 -9.620 -20.411 1.00 4.25 N ATOM 131 CA ALA A 16 -3.835 -9.838 -21.479 1.00 75.31 C ATOM 132 C ALA A 16 -3.785 -11.278 -21.979 1.00 50.03 C ATOM 133 O ALA A 16 -3.520 -11.528 -23.155 1.00 61.41 O ATOM 134 CB ALA A 16 -3.583 -8.870 -22.625 1.00 61.14 C ATOM 0 H ALA A 16 -2.028 -9.121 -20.699 1.00 4.25 H new ATOM 0 HA ALA A 16 -4.831 -9.655 -21.077 1.00 75.31 H new ATOM 0 HB1 ALA A 16 -4.312 -9.045 -23.416 1.00 61.14 H new ATOM 0 HB2 ALA A 16 -3.678 -7.846 -22.264 1.00 61.14 H new ATOM 0 HB3 ALA A 16 -2.578 -9.025 -23.018 1.00 61.14 H new ATOM 140 N VAL A 17 -4.040 -12.222 -21.079 1.00 14.23 N ATOM 141 CA VAL A 17 -4.024 -13.637 -21.429 1.00 34.01 C ATOM 142 C VAL A 17 -5.428 -14.230 -21.384 1.00 71.05 C ATOM 143 O VAL A 17 -6.330 -13.671 -20.763 1.00 13.35 O ATOM 144 CB VAL A 17 -3.110 -14.439 -20.484 1.00 11.24 C ATOM 145 CG1 VAL A 17 -3.762 -14.599 -19.119 1.00 2.45 C ATOM 146 CG2 VAL A 17 -2.779 -15.795 -21.087 1.00 65.23 C ATOM 0 H VAL A 17 -4.260 -12.032 -20.101 1.00 14.23 H new ATOM 0 HA VAL A 17 -3.635 -13.707 -22.445 1.00 34.01 H new ATOM 0 HB VAL A 17 -2.179 -13.888 -20.353 1.00 11.24 H new ATOM 0 HG11 VAL A 17 -3.102 -15.168 -18.465 1.00 2.45 H new ATOM 0 HG12 VAL A 17 -3.943 -13.616 -18.685 1.00 2.45 H new ATOM 0 HG13 VAL A 17 -4.709 -15.128 -19.228 1.00 2.45 H new ATOM 0 HG21 VAL A 17 -2.132 -16.348 -20.406 1.00 65.23 H new ATOM 0 HG22 VAL A 17 -3.700 -16.356 -21.249 1.00 65.23 H new ATOM 0 HG23 VAL A 17 -2.267 -15.655 -22.039 1.00 65.23 H new ATOM 156 N GLY A 18 -5.605 -15.368 -22.049 1.00 54.01 N ATOM 157 CA GLY A 18 -6.902 -16.019 -22.073 1.00 12.04 C ATOM 158 C GLY A 18 -7.520 -16.131 -20.693 1.00 22.21 C ATOM 159 O GLY A 18 -8.721 -15.925 -20.524 1.00 62.30 O ATOM 0 H GLY A 18 -4.874 -15.850 -22.571 1.00 54.01 H new ATOM 0 HA2 GLY A 18 -7.574 -15.460 -22.724 1.00 12.04 H new ATOM 0 HA3 GLY A 18 -6.797 -17.015 -22.503 1.00 12.04 H new ATOM 163 N GLY A 19 -6.696 -16.461 -19.702 1.00 51.24 N ATOM 164 CA GLY A 19 -7.187 -16.596 -18.343 1.00 70.34 C ATOM 165 C GLY A 19 -7.701 -15.287 -17.779 1.00 40.33 C ATOM 166 O GLY A 19 -8.682 -15.265 -17.037 1.00 42.30 O ATOM 0 H GLY A 19 -5.698 -16.637 -19.817 1.00 51.24 H new ATOM 0 HA2 GLY A 19 -7.987 -17.336 -18.321 1.00 70.34 H new ATOM 0 HA3 GLY A 19 -6.386 -16.973 -17.707 1.00 70.34 H new ATOM 170 N GLY A 20 -7.035 -14.191 -18.131 1.00 14.40 N ATOM 171 CA GLY A 20 -7.444 -12.886 -17.644 1.00 74.11 C ATOM 172 C GLY A 20 -7.593 -12.851 -16.136 1.00 12.30 C ATOM 173 O GLY A 20 -8.696 -12.678 -15.618 1.00 54.12 O ATOM 0 H GLY A 20 -6.220 -14.184 -18.744 1.00 14.40 H new ATOM 0 HA2 GLY A 20 -6.710 -12.141 -17.951 1.00 74.11 H new ATOM 0 HA3 GLY A 20 -8.392 -12.610 -18.106 1.00 74.11 H new ATOM 177 N SER A 21 -6.480 -13.016 -15.429 1.00 22.30 N ATOM 178 CA SER A 21 -6.492 -13.008 -13.971 1.00 0.02 C ATOM 179 C SER A 21 -5.469 -12.017 -13.425 1.00 2.23 C ATOM 180 O SER A 21 -4.288 -12.049 -13.773 1.00 53.40 O ATOM 181 CB SER A 21 -6.201 -14.409 -13.429 1.00 51.04 C ATOM 182 OG SER A 21 -5.016 -14.939 -13.997 1.00 61.20 O ATOM 0 H SER A 21 -5.558 -13.157 -15.842 1.00 22.30 H new ATOM 0 HA SER A 21 -7.484 -12.698 -13.642 1.00 0.02 H new ATOM 0 HB2 SER A 21 -6.102 -14.369 -12.344 1.00 51.04 H new ATOM 0 HB3 SER A 21 -7.040 -15.069 -13.649 1.00 51.04 H new ATOM 0 HG SER A 21 -4.397 -14.208 -14.204 1.00 61.20 H new ATOM 188 N PRO A 22 -5.931 -11.114 -12.547 1.00 41.21 N ATOM 189 CA PRO A 22 -5.073 -10.096 -11.933 1.00 13.11 C ATOM 190 C PRO A 22 -4.080 -10.695 -10.943 1.00 35.02 C ATOM 191 O PRO A 22 -4.424 -11.588 -10.167 1.00 1.23 O ATOM 192 CB PRO A 22 -6.067 -9.185 -11.208 1.00 54.25 C ATOM 193 CG PRO A 22 -7.247 -10.052 -10.936 1.00 34.40 C ATOM 194 CD PRO A 22 -7.326 -11.017 -12.086 1.00 72.45 C ATOM 0 HA PRO A 22 -4.461 -9.579 -12.672 1.00 13.11 H new ATOM 0 HB2 PRO A 22 -5.643 -8.793 -10.284 1.00 54.25 H new ATOM 0 HB3 PRO A 22 -6.339 -8.327 -11.823 1.00 54.25 H new ATOM 0 HG2 PRO A 22 -7.133 -10.581 -9.990 1.00 34.40 H new ATOM 0 HG3 PRO A 22 -8.158 -9.459 -10.861 1.00 34.40 H new ATOM 0 HD2 PRO A 22 -7.713 -11.986 -11.771 1.00 72.45 H new ATOM 0 HD3 PRO A 22 -7.985 -10.651 -12.873 1.00 72.45 H new ATOM 202 N LEU A 23 -2.849 -10.199 -10.974 1.00 4.21 N ATOM 203 CA LEU A 23 -1.805 -10.685 -10.078 1.00 70.10 C ATOM 204 C LEU A 23 -1.372 -9.594 -9.104 1.00 32.45 C ATOM 205 O LEU A 23 -1.071 -8.472 -9.508 1.00 22.11 O ATOM 206 CB LEU A 23 -0.600 -11.172 -10.884 1.00 63.21 C ATOM 207 CG LEU A 23 0.602 -11.652 -10.070 1.00 64.31 C ATOM 208 CD1 LEU A 23 0.443 -13.118 -9.696 1.00 41.15 C ATOM 209 CD2 LEU A 23 1.893 -11.435 -10.846 1.00 61.34 C ATOM 0 H LEU A 23 -2.548 -9.460 -11.610 1.00 4.21 H new ATOM 0 HA LEU A 23 -2.212 -11.518 -9.505 1.00 70.10 H new ATOM 0 HB2 LEU A 23 -0.926 -11.988 -11.529 1.00 63.21 H new ATOM 0 HB3 LEU A 23 -0.272 -10.362 -11.535 1.00 63.21 H new ATOM 0 HG LEU A 23 0.651 -11.067 -9.151 1.00 64.31 H new ATOM 0 HD11 LEU A 23 1.308 -13.442 -9.117 1.00 41.15 H new ATOM 0 HD12 LEU A 23 -0.461 -13.246 -9.100 1.00 41.15 H new ATOM 0 HD13 LEU A 23 0.368 -13.719 -10.602 1.00 41.15 H new ATOM 0 HD21 LEU A 23 2.738 -11.782 -10.251 1.00 61.34 H new ATOM 0 HD22 LEU A 23 1.854 -11.993 -11.781 1.00 61.34 H new ATOM 0 HD23 LEU A 23 2.014 -10.373 -11.062 1.00 61.34 H new ATOM 221 N GLU A 24 -1.342 -9.934 -7.819 1.00 14.25 N ATOM 222 CA GLU A 24 -0.945 -8.983 -6.787 1.00 42.10 C ATOM 223 C GLU A 24 0.560 -9.046 -6.540 1.00 33.14 C ATOM 224 O GLU A 24 1.116 -10.118 -6.294 1.00 53.43 O ATOM 225 CB GLU A 24 -1.699 -9.263 -5.486 1.00 20.34 C ATOM 226 CG GLU A 24 -3.203 -9.087 -5.604 1.00 15.32 C ATOM 227 CD GLU A 24 -3.977 -10.150 -4.849 1.00 21.23 C ATOM 228 OE1 GLU A 24 -3.958 -10.122 -3.600 1.00 60.42 O ATOM 229 OE2 GLU A 24 -4.600 -11.010 -5.505 1.00 54.24 O ATOM 0 H GLU A 24 -1.588 -10.860 -7.468 1.00 14.25 H new ATOM 0 HA GLU A 24 -1.197 -7.981 -7.135 1.00 42.10 H new ATOM 0 HB2 GLU A 24 -1.485 -10.282 -5.164 1.00 20.34 H new ATOM 0 HB3 GLU A 24 -1.324 -8.598 -4.708 1.00 20.34 H new ATOM 0 HG2 GLU A 24 -3.480 -8.103 -5.225 1.00 15.32 H new ATOM 0 HG3 GLU A 24 -3.487 -9.115 -6.656 1.00 15.32 H new ATOM 236 N LEU A 25 1.213 -7.891 -6.606 1.00 61.43 N ATOM 237 CA LEU A 25 2.654 -7.814 -6.390 1.00 52.02 C ATOM 238 C LEU A 25 3.027 -6.523 -5.668 1.00 24.51 C ATOM 239 O LEU A 25 2.269 -5.555 -5.677 1.00 10.42 O ATOM 240 CB LEU A 25 3.395 -7.897 -7.726 1.00 31.33 C ATOM 241 CG LEU A 25 4.319 -9.102 -7.907 1.00 32.24 C ATOM 242 CD1 LEU A 25 5.053 -9.017 -9.236 1.00 34.41 C ATOM 243 CD2 LEU A 25 5.308 -9.193 -6.754 1.00 63.20 C ATOM 0 H LEU A 25 0.768 -6.995 -6.807 1.00 61.43 H new ATOM 0 HA LEU A 25 2.949 -8.657 -5.765 1.00 52.02 H new ATOM 0 HB2 LEU A 25 2.657 -7.907 -8.528 1.00 31.33 H new ATOM 0 HB3 LEU A 25 3.986 -6.989 -7.848 1.00 31.33 H new ATOM 0 HG LEU A 25 3.710 -10.006 -7.909 1.00 32.24 H new ATOM 0 HD11 LEU A 25 5.706 -9.883 -9.347 1.00 34.41 H new ATOM 0 HD12 LEU A 25 4.329 -9.001 -10.051 1.00 34.41 H new ATOM 0 HD13 LEU A 25 5.651 -8.106 -9.264 1.00 34.41 H new ATOM 0 HD21 LEU A 25 5.958 -10.056 -6.899 1.00 63.20 H new ATOM 0 HD22 LEU A 25 5.912 -8.286 -6.720 1.00 63.20 H new ATOM 0 HD23 LEU A 25 4.764 -9.302 -5.816 1.00 63.20 H new ATOM 255 N GLU A 26 4.202 -6.519 -5.045 1.00 40.53 N ATOM 256 CA GLU A 26 4.676 -5.346 -4.320 1.00 22.04 C ATOM 257 C GLU A 26 5.770 -4.626 -5.104 1.00 34.22 C ATOM 258 O GLU A 26 6.899 -5.107 -5.201 1.00 12.15 O ATOM 259 CB GLU A 26 5.204 -5.751 -2.942 1.00 11.45 C ATOM 260 CG GLU A 26 4.212 -6.561 -2.124 1.00 2.33 C ATOM 261 CD GLU A 26 4.800 -7.056 -0.817 1.00 4.33 C ATOM 262 OE1 GLU A 26 5.347 -6.227 -0.060 1.00 0.33 O ATOM 263 OE2 GLU A 26 4.714 -8.273 -0.551 1.00 54.02 O ATOM 0 H GLU A 26 4.842 -7.313 -5.028 1.00 40.53 H new ATOM 0 HA GLU A 26 3.835 -4.664 -4.194 1.00 22.04 H new ATOM 0 HB2 GLU A 26 6.118 -6.332 -3.069 1.00 11.45 H new ATOM 0 HB3 GLU A 26 5.472 -4.852 -2.386 1.00 11.45 H new ATOM 0 HG2 GLU A 26 3.334 -5.949 -1.915 1.00 2.33 H new ATOM 0 HG3 GLU A 26 3.873 -7.414 -2.712 1.00 2.33 H new ATOM 270 N VAL A 27 5.425 -3.470 -5.663 1.00 63.51 N ATOM 271 CA VAL A 27 6.376 -2.683 -6.439 1.00 23.13 C ATOM 272 C VAL A 27 6.191 -1.191 -6.185 1.00 30.43 C ATOM 273 O VAL A 27 5.125 -0.752 -5.755 1.00 74.32 O ATOM 274 CB VAL A 27 6.233 -2.958 -7.948 1.00 5.55 C ATOM 275 CG1 VAL A 27 7.438 -2.419 -8.705 1.00 13.13 C ATOM 276 CG2 VAL A 27 6.055 -4.446 -8.203 1.00 72.43 C ATOM 0 H VAL A 27 4.494 -3.058 -5.593 1.00 63.51 H new ATOM 0 HA VAL A 27 7.373 -2.982 -6.116 1.00 23.13 H new ATOM 0 HB VAL A 27 5.345 -2.442 -8.312 1.00 5.55 H new ATOM 0 HG11 VAL A 27 7.320 -2.622 -9.769 1.00 13.13 H new ATOM 0 HG12 VAL A 27 7.515 -1.343 -8.547 1.00 13.13 H new ATOM 0 HG13 VAL A 27 8.343 -2.905 -8.341 1.00 13.13 H new ATOM 0 HG21 VAL A 27 5.955 -4.622 -9.274 1.00 72.43 H new ATOM 0 HG22 VAL A 27 6.923 -4.986 -7.825 1.00 72.43 H new ATOM 0 HG23 VAL A 27 5.158 -4.798 -7.693 1.00 72.43 H new ATOM 286 N ALA A 28 7.237 -0.417 -6.454 1.00 13.42 N ATOM 287 CA ALA A 28 7.189 1.027 -6.257 1.00 34.11 C ATOM 288 C ALA A 28 7.306 1.766 -7.585 1.00 44.34 C ATOM 289 O ALA A 28 8.334 1.717 -8.262 1.00 32.01 O ATOM 290 CB ALA A 28 8.292 1.467 -5.306 1.00 71.11 C ATOM 0 H ALA A 28 8.128 -0.765 -6.809 1.00 13.42 H new ATOM 0 HA ALA A 28 6.224 1.277 -5.816 1.00 34.11 H new ATOM 0 HB1 ALA A 28 8.244 2.547 -5.168 1.00 71.11 H new ATOM 0 HB2 ALA A 28 8.161 0.972 -4.344 1.00 71.11 H new ATOM 0 HB3 ALA A 28 9.262 1.197 -5.724 1.00 71.11 H new ATOM 296 N PRO A 29 6.230 2.468 -7.970 1.00 42.42 N ATOM 297 CA PRO A 29 6.189 3.231 -9.221 1.00 53.42 C ATOM 298 C PRO A 29 7.096 4.456 -9.183 1.00 50.44 C ATOM 299 O PRO A 29 7.367 5.071 -10.214 1.00 1.53 O ATOM 300 CB PRO A 29 4.722 3.656 -9.329 1.00 71.54 C ATOM 301 CG PRO A 29 4.226 3.667 -7.925 1.00 3.44 C ATOM 302 CD PRO A 29 4.971 2.572 -7.213 1.00 63.24 C ATOM 0 HA PRO A 29 6.541 2.643 -10.069 1.00 53.42 H new ATOM 0 HB2 PRO A 29 4.628 4.639 -9.790 1.00 71.54 H new ATOM 0 HB3 PRO A 29 4.152 2.960 -9.945 1.00 71.54 H new ATOM 0 HG2 PRO A 29 4.409 4.633 -7.454 1.00 3.44 H new ATOM 0 HG3 PRO A 29 3.150 3.494 -7.890 1.00 3.44 H new ATOM 0 HD2 PRO A 29 5.150 2.822 -6.167 1.00 63.24 H new ATOM 0 HD3 PRO A 29 4.416 1.634 -7.226 1.00 63.24 H new ATOM 310 N ASN A 30 7.563 4.805 -7.989 1.00 34.13 N ATOM 311 CA ASN A 30 8.440 5.957 -7.817 1.00 50.21 C ATOM 312 C ASN A 30 9.899 5.568 -8.038 1.00 14.01 C ATOM 313 O ASN A 30 10.808 6.352 -7.768 1.00 63.41 O ATOM 314 CB ASN A 30 8.266 6.554 -6.419 1.00 34.40 C ATOM 315 CG ASN A 30 8.397 5.511 -5.325 1.00 45.33 C ATOM 316 OD1 ASN A 30 9.478 4.966 -5.099 1.00 73.35 O ATOM 317 ND2 ASN A 30 7.295 5.230 -4.640 1.00 42.03 N ATOM 0 H ASN A 30 7.349 4.306 -7.126 1.00 34.13 H new ATOM 0 HA ASN A 30 8.165 6.705 -8.561 1.00 50.21 H new ATOM 0 HB2 ASN A 30 9.011 7.334 -6.265 1.00 34.40 H new ATOM 0 HB3 ASN A 30 7.288 7.029 -6.349 1.00 34.40 H new ATOM 0 HD21 ASN A 30 7.322 4.537 -3.892 1.00 42.03 H new ATOM 0 HD22 ASN A 30 6.421 5.707 -4.862 1.00 42.03 H new ATOM 324 N ALA A 31 10.113 4.353 -8.531 1.00 31.52 N ATOM 325 CA ALA A 31 11.460 3.860 -8.791 1.00 10.15 C ATOM 326 C ALA A 31 11.784 3.907 -10.280 1.00 31.21 C ATOM 327 O ALA A 31 12.498 4.796 -10.743 1.00 45.35 O ATOM 328 CB ALA A 31 11.616 2.443 -8.259 1.00 14.13 C ATOM 0 H ALA A 31 9.371 3.692 -8.759 1.00 31.52 H new ATOM 0 HA ALA A 31 12.164 4.510 -8.272 1.00 10.15 H new ATOM 0 HB1 ALA A 31 12.627 2.088 -8.460 1.00 14.13 H new ATOM 0 HB2 ALA A 31 11.436 2.436 -7.184 1.00 14.13 H new ATOM 0 HB3 ALA A 31 10.897 1.788 -8.751 1.00 14.13 H new ATOM 334 N THR A 32 11.254 2.943 -11.027 1.00 24.44 N ATOM 335 CA THR A 32 11.489 2.873 -12.463 1.00 72.43 C ATOM 336 C THR A 32 10.387 2.085 -13.162 1.00 72.05 C ATOM 337 O THR A 32 9.877 1.101 -12.626 1.00 14.52 O ATOM 338 CB THR A 32 12.849 2.222 -12.780 1.00 12.33 C ATOM 339 OG1 THR A 32 13.446 1.725 -11.577 1.00 34.22 O ATOM 340 CG2 THR A 32 13.786 3.222 -13.441 1.00 32.30 C ATOM 0 H THR A 32 10.659 2.200 -10.660 1.00 24.44 H new ATOM 0 HA THR A 32 11.491 3.898 -12.833 1.00 72.43 H new ATOM 0 HB THR A 32 12.680 1.395 -13.470 1.00 12.33 H new ATOM 0 HG1 THR A 32 14.309 1.311 -11.787 1.00 34.22 H new ATOM 0 HG21 THR A 32 14.740 2.740 -13.656 1.00 32.30 H new ATOM 0 HG22 THR A 32 13.342 3.577 -14.371 1.00 32.30 H new ATOM 0 HG23 THR A 32 13.949 4.066 -12.771 1.00 32.30 H new ATOM 348 N VAL A 33 10.024 2.523 -14.364 1.00 33.11 N ATOM 349 CA VAL A 33 8.983 1.857 -15.138 1.00 12.11 C ATOM 350 C VAL A 33 9.443 0.482 -15.609 1.00 52.34 C ATOM 351 O VAL A 33 8.716 -0.503 -15.488 1.00 11.33 O ATOM 352 CB VAL A 33 8.570 2.696 -16.362 1.00 43.00 C ATOM 353 CG1 VAL A 33 7.445 2.013 -17.123 1.00 74.41 C ATOM 354 CG2 VAL A 33 8.162 4.097 -15.934 1.00 15.32 C ATOM 0 H VAL A 33 10.436 3.336 -14.822 1.00 33.11 H new ATOM 0 HA VAL A 33 8.123 1.743 -14.479 1.00 12.11 H new ATOM 0 HB VAL A 33 9.428 2.780 -17.029 1.00 43.00 H new ATOM 0 HG11 VAL A 33 7.167 2.621 -17.984 1.00 74.41 H new ATOM 0 HG12 VAL A 33 7.779 1.033 -17.463 1.00 74.41 H new ATOM 0 HG13 VAL A 33 6.582 1.895 -16.468 1.00 74.41 H new ATOM 0 HG21 VAL A 33 7.873 4.676 -16.811 1.00 15.32 H new ATOM 0 HG22 VAL A 33 7.319 4.036 -15.246 1.00 15.32 H new ATOM 0 HG23 VAL A 33 9.001 4.585 -15.438 1.00 15.32 H new ATOM 364 N GLY A 34 10.657 0.423 -16.148 1.00 51.04 N ATOM 365 CA GLY A 34 11.194 -0.836 -16.630 1.00 60.21 C ATOM 366 C GLY A 34 11.359 -1.858 -15.522 1.00 41.34 C ATOM 367 O GLY A 34 11.208 -3.058 -15.748 1.00 51.12 O ATOM 0 H GLY A 34 11.278 1.224 -16.259 1.00 51.04 H new ATOM 0 HA2 GLY A 34 10.533 -1.240 -17.397 1.00 60.21 H new ATOM 0 HA3 GLY A 34 12.160 -0.658 -17.103 1.00 60.21 H new ATOM 371 N ALA A 35 11.672 -1.381 -14.322 1.00 31.01 N ATOM 372 CA ALA A 35 11.857 -2.261 -13.175 1.00 64.40 C ATOM 373 C ALA A 35 10.551 -2.950 -12.795 1.00 23.51 C ATOM 374 O ALA A 35 10.522 -4.157 -12.552 1.00 0.13 O ATOM 375 CB ALA A 35 12.407 -1.478 -11.992 1.00 20.20 C ATOM 0 H ALA A 35 11.803 -0.390 -14.119 1.00 31.01 H new ATOM 0 HA ALA A 35 12.576 -3.032 -13.452 1.00 64.40 H new ATOM 0 HB1 ALA A 35 12.540 -2.148 -11.143 1.00 20.20 H new ATOM 0 HB2 ALA A 35 13.367 -1.038 -12.261 1.00 20.20 H new ATOM 0 HB3 ALA A 35 11.708 -0.686 -11.723 1.00 20.20 H new ATOM 381 N VAL A 36 9.472 -2.176 -12.745 1.00 31.32 N ATOM 382 CA VAL A 36 8.162 -2.712 -12.394 1.00 61.55 C ATOM 383 C VAL A 36 7.648 -3.657 -13.475 1.00 51.22 C ATOM 384 O VAL A 36 7.156 -4.746 -13.179 1.00 52.14 O ATOM 385 CB VAL A 36 7.133 -1.586 -12.180 1.00 65.24 C ATOM 386 CG1 VAL A 36 5.834 -2.148 -11.624 1.00 70.25 C ATOM 387 CG2 VAL A 36 7.699 -0.517 -11.258 1.00 42.22 C ATOM 0 H VAL A 36 9.479 -1.175 -12.943 1.00 31.32 H new ATOM 0 HA VAL A 36 8.285 -3.263 -11.462 1.00 61.55 H new ATOM 0 HB VAL A 36 6.918 -1.126 -13.144 1.00 65.24 H new ATOM 0 HG11 VAL A 36 5.119 -1.338 -11.479 1.00 70.25 H new ATOM 0 HG12 VAL A 36 5.422 -2.874 -12.325 1.00 70.25 H new ATOM 0 HG13 VAL A 36 6.028 -2.635 -10.669 1.00 70.25 H new ATOM 0 HG21 VAL A 36 6.959 0.271 -11.117 1.00 42.22 H new ATOM 0 HG22 VAL A 36 7.944 -0.961 -10.293 1.00 42.22 H new ATOM 0 HG23 VAL A 36 8.600 -0.094 -11.702 1.00 42.22 H new ATOM 397 N ARG A 37 7.766 -3.232 -14.729 1.00 74.31 N ATOM 398 CA ARG A 37 7.312 -4.040 -15.855 1.00 11.01 C ATOM 399 C ARG A 37 8.065 -5.366 -15.911 1.00 35.22 C ATOM 400 O ARG A 37 7.480 -6.414 -16.188 1.00 15.12 O ATOM 401 CB ARG A 37 7.503 -3.277 -17.167 1.00 71.10 C ATOM 402 CG ARG A 37 7.125 -4.082 -18.400 1.00 3.11 C ATOM 403 CD ARG A 37 8.356 -4.616 -19.115 1.00 44.45 C ATOM 404 NE ARG A 37 8.607 -3.913 -20.371 1.00 4.11 N ATOM 405 CZ ARG A 37 9.673 -4.129 -21.134 1.00 3.14 C ATOM 406 NH1 ARG A 37 10.582 -5.023 -20.770 1.00 61.35 N ATOM 407 NH2 ARG A 37 9.832 -3.450 -22.262 1.00 55.35 N ATOM 0 H ARG A 37 8.172 -2.334 -14.991 1.00 74.31 H new ATOM 0 HA ARG A 37 6.252 -4.250 -15.715 1.00 11.01 H new ATOM 0 HB2 ARG A 37 6.903 -2.367 -17.139 1.00 71.10 H new ATOM 0 HB3 ARG A 37 8.545 -2.969 -17.250 1.00 71.10 H new ATOM 0 HG2 ARG A 37 6.482 -4.913 -18.110 1.00 3.11 H new ATOM 0 HG3 ARG A 37 6.549 -3.456 -19.082 1.00 3.11 H new ATOM 0 HD2 ARG A 37 9.225 -4.517 -18.464 1.00 44.45 H new ATOM 0 HD3 ARG A 37 8.227 -5.680 -19.314 1.00 44.45 H new ATOM 0 HE ARG A 37 7.927 -3.218 -20.679 1.00 4.11 H new ATOM 0 HH11 ARG A 37 10.464 -5.547 -19.903 1.00 61.35 H new ATOM 0 HH12 ARG A 37 11.400 -5.187 -21.357 1.00 61.35 H new ATOM 0 HH21 ARG A 37 9.135 -2.761 -22.545 1.00 55.35 H new ATOM 0 HH22 ARG A 37 10.651 -3.617 -22.847 1.00 55.35 H new ATOM 421 N THR A 38 9.366 -5.314 -15.646 1.00 44.45 N ATOM 422 CA THR A 38 10.200 -6.509 -15.668 1.00 74.23 C ATOM 423 C THR A 38 9.858 -7.439 -14.510 1.00 13.24 C ATOM 424 O THR A 38 9.838 -8.660 -14.665 1.00 31.14 O ATOM 425 CB THR A 38 11.696 -6.152 -15.601 1.00 24.14 C ATOM 426 OG1 THR A 38 12.053 -5.321 -16.711 1.00 74.43 O ATOM 427 CG2 THR A 38 12.553 -7.409 -15.606 1.00 4.14 C ATOM 0 H THR A 38 9.866 -4.456 -15.413 1.00 44.45 H new ATOM 0 HA THR A 38 9.998 -7.018 -16.611 1.00 74.23 H new ATOM 0 HB THR A 38 11.876 -5.612 -14.672 1.00 24.14 H new ATOM 0 HG1 THR A 38 11.827 -4.389 -16.508 1.00 74.43 H new ATOM 0 HG21 THR A 38 13.606 -7.132 -15.558 1.00 4.14 H new ATOM 0 HG22 THR A 38 12.300 -8.025 -14.743 1.00 4.14 H new ATOM 0 HG23 THR A 38 12.367 -7.972 -16.521 1.00 4.14 H new ATOM 435 N LYS A 39 9.588 -6.854 -13.348 1.00 0.35 N ATOM 436 CA LYS A 39 9.244 -7.629 -12.161 1.00 65.15 C ATOM 437 C LYS A 39 7.942 -8.395 -12.371 1.00 23.52 C ATOM 438 O LYS A 39 7.841 -9.573 -12.026 1.00 12.25 O ATOM 439 CB LYS A 39 9.117 -6.709 -10.945 1.00 24.41 C ATOM 440 CG LYS A 39 9.447 -7.393 -9.629 1.00 11.41 C ATOM 441 CD LYS A 39 10.656 -6.760 -8.960 1.00 33.33 C ATOM 442 CE LYS A 39 11.942 -7.102 -9.695 1.00 64.33 C ATOM 443 NZ LYS A 39 13.044 -7.447 -8.755 1.00 21.24 N ATOM 0 H LYS A 39 9.601 -5.845 -13.203 1.00 0.35 H new ATOM 0 HA LYS A 39 10.043 -8.348 -11.982 1.00 65.15 H new ATOM 0 HB2 LYS A 39 9.779 -5.853 -11.076 1.00 24.41 H new ATOM 0 HB3 LYS A 39 8.100 -6.321 -10.898 1.00 24.41 H new ATOM 0 HG2 LYS A 39 8.588 -7.333 -8.961 1.00 11.41 H new ATOM 0 HG3 LYS A 39 9.640 -8.451 -9.806 1.00 11.41 H new ATOM 0 HD2 LYS A 39 10.531 -5.678 -8.928 1.00 33.33 H new ATOM 0 HD3 LYS A 39 10.723 -7.103 -7.928 1.00 33.33 H new ATOM 0 HE2 LYS A 39 11.763 -7.940 -10.368 1.00 64.33 H new ATOM 0 HE3 LYS A 39 12.243 -6.256 -10.313 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 13.903 -7.674 -9.295 1.00 21.24 H new ATOM 0 HZ2 LYS A 39 13.232 -6.638 -8.129 1.00 21.24 H new ATOM 0 HZ3 LYS A 39 12.767 -8.270 -8.183 1.00 21.24 H new ATOM 457 N VAL A 40 6.949 -7.720 -12.940 1.00 35.52 N ATOM 458 CA VAL A 40 5.654 -8.339 -13.198 1.00 14.13 C ATOM 459 C VAL A 40 5.760 -9.407 -14.281 1.00 4.44 C ATOM 460 O VAL A 40 5.236 -10.511 -14.132 1.00 14.12 O ATOM 461 CB VAL A 40 4.607 -7.293 -13.625 1.00 41.31 C ATOM 462 CG1 VAL A 40 3.268 -7.959 -13.901 1.00 51.24 C ATOM 463 CG2 VAL A 40 4.466 -6.215 -12.561 1.00 4.12 C ATOM 0 H VAL A 40 7.016 -6.745 -13.231 1.00 35.52 H new ATOM 0 HA VAL A 40 5.334 -8.803 -12.265 1.00 14.13 H new ATOM 0 HB VAL A 40 4.947 -6.820 -14.546 1.00 41.31 H new ATOM 0 HG11 VAL A 40 2.541 -7.204 -14.201 1.00 51.24 H new ATOM 0 HG12 VAL A 40 3.383 -8.690 -14.701 1.00 51.24 H new ATOM 0 HG13 VAL A 40 2.918 -8.461 -12.999 1.00 51.24 H new ATOM 0 HG21 VAL A 40 3.722 -5.485 -12.879 1.00 4.12 H new ATOM 0 HG22 VAL A 40 4.149 -6.670 -11.622 1.00 4.12 H new ATOM 0 HG23 VAL A 40 5.425 -5.717 -12.418 1.00 4.12 H new ATOM 473 N CYS A 41 6.443 -9.071 -15.369 1.00 40.34 N ATOM 474 CA CYS A 41 6.619 -10.001 -16.479 1.00 31.00 C ATOM 475 C CYS A 41 7.285 -11.290 -16.008 1.00 2.53 C ATOM 476 O CYS A 41 6.853 -12.387 -16.358 1.00 22.33 O ATOM 477 CB CYS A 41 7.455 -9.356 -17.585 1.00 54.43 C ATOM 478 SG CYS A 41 7.176 -10.060 -19.227 1.00 60.01 S ATOM 0 H CYS A 41 6.884 -8.162 -15.507 1.00 40.34 H new ATOM 0 HA CYS A 41 5.633 -10.246 -16.875 1.00 31.00 H new ATOM 0 HB2 CYS A 41 7.235 -8.289 -17.617 1.00 54.43 H new ATOM 0 HB3 CYS A 41 8.511 -9.456 -17.333 1.00 54.43 H new ATOM 0 HG CYS A 41 7.994 -11.052 -19.418 1.00 60.01 H new ATOM 484 N ALA A 42 8.341 -11.147 -15.213 1.00 31.20 N ATOM 485 CA ALA A 42 9.067 -12.300 -14.694 1.00 12.55 C ATOM 486 C ALA A 42 8.177 -13.148 -13.792 1.00 31.12 C ATOM 487 O ALA A 42 8.193 -14.376 -13.867 1.00 33.31 O ATOM 488 CB ALA A 42 10.307 -11.845 -13.938 1.00 31.20 C ATOM 0 H ALA A 42 8.712 -10.245 -14.915 1.00 31.20 H new ATOM 0 HA ALA A 42 9.375 -12.916 -15.539 1.00 12.55 H new ATOM 0 HB1 ALA A 42 10.840 -12.716 -13.556 1.00 31.20 H new ATOM 0 HB2 ALA A 42 10.959 -11.287 -14.610 1.00 31.20 H new ATOM 0 HB3 ALA A 42 10.012 -11.206 -13.106 1.00 31.20 H new ATOM 494 N MET A 43 7.402 -12.485 -12.939 1.00 64.03 N ATOM 495 CA MET A 43 6.505 -13.180 -12.023 1.00 42.32 C ATOM 496 C MET A 43 5.504 -14.039 -12.789 1.00 42.44 C ATOM 497 O MET A 43 5.038 -15.062 -12.289 1.00 74.21 O ATOM 498 CB MET A 43 5.762 -12.174 -11.142 1.00 4.30 C ATOM 499 CG MET A 43 5.170 -12.789 -9.884 1.00 52.45 C ATOM 500 SD MET A 43 6.408 -13.092 -8.610 1.00 3.14 S ATOM 501 CE MET A 43 6.081 -14.810 -8.222 1.00 3.43 C ATOM 0 H MET A 43 7.377 -11.468 -12.863 1.00 64.03 H new ATOM 0 HA MET A 43 7.107 -13.832 -11.390 1.00 42.32 H new ATOM 0 HB2 MET A 43 6.448 -11.376 -10.858 1.00 4.30 H new ATOM 0 HB3 MET A 43 4.962 -11.715 -11.723 1.00 4.30 H new ATOM 0 HG2 MET A 43 4.401 -12.126 -9.487 1.00 52.45 H new ATOM 0 HG3 MET A 43 4.680 -13.728 -10.140 1.00 52.45 H new ATOM 0 HE1 MET A 43 6.769 -15.145 -7.446 1.00 3.43 H new ATOM 0 HE2 MET A 43 5.056 -14.914 -7.867 1.00 3.43 H new ATOM 0 HE3 MET A 43 6.219 -15.418 -9.116 1.00 3.43 H new ATOM 511 N LYS A 44 5.178 -13.616 -14.006 1.00 13.30 N ATOM 512 CA LYS A 44 4.233 -14.346 -14.842 1.00 52.05 C ATOM 513 C LYS A 44 4.965 -15.226 -15.851 1.00 4.54 C ATOM 514 O LYS A 44 4.351 -16.036 -16.545 1.00 44.32 O ATOM 515 CB LYS A 44 3.310 -13.370 -15.577 1.00 21.45 C ATOM 516 CG LYS A 44 2.766 -12.264 -14.690 1.00 14.12 C ATOM 517 CD LYS A 44 1.250 -12.181 -14.768 1.00 24.30 C ATOM 518 CE LYS A 44 0.592 -13.388 -14.116 1.00 41.32 C ATOM 519 NZ LYS A 44 -0.851 -13.149 -13.838 1.00 73.10 N ATOM 0 H LYS A 44 5.555 -12.771 -14.435 1.00 13.30 H new ATOM 0 HA LYS A 44 3.634 -14.986 -14.195 1.00 52.05 H new ATOM 0 HB2 LYS A 44 3.855 -12.923 -16.408 1.00 21.45 H new ATOM 0 HB3 LYS A 44 2.475 -13.925 -16.005 1.00 21.45 H new ATOM 0 HG2 LYS A 44 3.069 -12.442 -13.658 1.00 14.12 H new ATOM 0 HG3 LYS A 44 3.199 -11.310 -14.990 1.00 14.12 H new ATOM 0 HD2 LYS A 44 0.909 -11.270 -14.277 1.00 24.30 H new ATOM 0 HD3 LYS A 44 0.941 -12.116 -15.811 1.00 24.30 H new ATOM 0 HE2 LYS A 44 0.698 -14.256 -14.767 1.00 41.32 H new ATOM 0 HE3 LYS A 44 1.107 -13.624 -13.185 1.00 41.32 H new ATOM 0 HZ1 LYS A 44 -1.099 -13.556 -12.914 1.00 73.10 H new ATOM 0 HZ2 LYS A 44 -1.038 -12.126 -13.827 1.00 73.10 H new ATOM 0 HZ3 LYS A 44 -1.426 -13.598 -14.579 1.00 73.10 H new ATOM 533 N LYS A 45 6.282 -15.062 -15.925 1.00 11.02 N ATOM 534 CA LYS A 45 7.100 -15.843 -16.846 1.00 14.44 C ATOM 535 C LYS A 45 6.723 -15.546 -18.294 1.00 12.34 C ATOM 536 O LYS A 45 6.390 -16.453 -19.058 1.00 10.33 O ATOM 537 CB LYS A 45 6.938 -17.338 -16.562 1.00 0.33 C ATOM 538 CG LYS A 45 8.174 -18.156 -16.891 1.00 62.52 C ATOM 539 CD LYS A 45 8.747 -18.825 -15.653 1.00 35.24 C ATOM 540 CE LYS A 45 9.644 -17.877 -14.872 1.00 33.23 C ATOM 541 NZ LYS A 45 11.074 -18.287 -14.936 1.00 72.53 N ATOM 0 H LYS A 45 6.806 -14.395 -15.358 1.00 11.02 H new ATOM 0 HA LYS A 45 8.142 -15.562 -16.695 1.00 14.44 H new ATOM 0 HB2 LYS A 45 6.692 -17.475 -15.509 1.00 0.33 H new ATOM 0 HB3 LYS A 45 6.096 -17.720 -17.139 1.00 0.33 H new ATOM 0 HG2 LYS A 45 7.922 -18.915 -17.632 1.00 62.52 H new ATOM 0 HG3 LYS A 45 8.929 -17.511 -17.339 1.00 62.52 H new ATOM 0 HD2 LYS A 45 7.933 -19.167 -15.014 1.00 35.24 H new ATOM 0 HD3 LYS A 45 9.316 -19.708 -15.945 1.00 35.24 H new ATOM 0 HE2 LYS A 45 9.538 -16.867 -15.269 1.00 33.23 H new ATOM 0 HE3 LYS A 45 9.321 -17.846 -13.831 1.00 33.23 H new ATOM 0 HZ1 LYS A 45 11.652 -17.616 -14.392 1.00 72.53 H new ATOM 0 HZ2 LYS A 45 11.180 -19.240 -14.534 1.00 72.53 H new ATOM 0 HZ3 LYS A 45 11.390 -18.292 -15.927 1.00 72.53 H new ATOM 555 N LEU A 46 6.778 -14.272 -18.665 1.00 43.51 N ATOM 556 CA LEU A 46 6.444 -13.855 -20.023 1.00 22.23 C ATOM 557 C LEU A 46 7.669 -13.294 -20.737 1.00 44.22 C ATOM 558 O LEU A 46 8.662 -12.916 -20.115 1.00 44.01 O ATOM 559 CB LEU A 46 5.330 -12.807 -19.996 1.00 63.13 C ATOM 560 CG LEU A 46 3.901 -13.345 -20.071 1.00 51.20 C ATOM 561 CD1 LEU A 46 3.676 -14.411 -19.010 1.00 75.14 C ATOM 562 CD2 LEU A 46 2.896 -12.213 -19.914 1.00 3.34 C ATOM 0 H LEU A 46 7.051 -13.509 -18.045 1.00 43.51 H new ATOM 0 HA LEU A 46 6.097 -14.731 -20.571 1.00 22.23 H new ATOM 0 HB2 LEU A 46 5.430 -12.223 -19.081 1.00 63.13 H new ATOM 0 HB3 LEU A 46 5.483 -12.121 -20.829 1.00 63.13 H new ATOM 0 HG LEU A 46 3.755 -13.800 -21.051 1.00 51.20 H new ATOM 0 HD11 LEU A 46 2.654 -14.782 -19.078 1.00 75.14 H new ATOM 0 HD12 LEU A 46 4.372 -15.234 -19.168 1.00 75.14 H new ATOM 0 HD13 LEU A 46 3.841 -13.981 -18.022 1.00 75.14 H new ATOM 0 HD21 LEU A 46 1.884 -12.614 -19.970 1.00 3.34 H new ATOM 0 HD22 LEU A 46 3.041 -11.729 -18.948 1.00 3.34 H new ATOM 0 HD23 LEU A 46 3.042 -11.484 -20.711 1.00 3.34 H new ATOM 574 N PRO A 47 7.599 -13.235 -22.075 1.00 62.14 N ATOM 575 CA PRO A 47 8.693 -12.718 -22.904 1.00 32.54 C ATOM 576 C PRO A 47 8.875 -11.212 -22.749 1.00 62.42 C ATOM 577 O PRO A 47 8.028 -10.416 -23.153 1.00 41.45 O ATOM 578 CB PRO A 47 8.251 -13.060 -24.329 1.00 34.34 C ATOM 579 CG PRO A 47 6.765 -13.142 -24.255 1.00 11.40 C ATOM 580 CD PRO A 47 6.446 -13.668 -22.883 1.00 25.20 C ATOM 0 HA PRO A 47 9.654 -13.150 -22.627 1.00 32.54 H new ATOM 0 HB2 PRO A 47 8.571 -12.295 -25.037 1.00 34.34 H new ATOM 0 HB3 PRO A 47 8.684 -14.003 -24.662 1.00 34.34 H new ATOM 0 HG2 PRO A 47 6.312 -12.163 -24.412 1.00 11.40 H new ATOM 0 HG3 PRO A 47 6.372 -13.803 -25.027 1.00 11.40 H new ATOM 0 HD2 PRO A 47 5.511 -13.257 -22.502 1.00 25.20 H new ATOM 0 HD3 PRO A 47 6.340 -14.753 -22.883 1.00 25.20 H new ATOM 588 N PRO A 48 10.006 -10.811 -22.151 1.00 45.31 N ATOM 589 CA PRO A 48 10.327 -9.397 -21.931 1.00 34.32 C ATOM 590 C PRO A 48 10.638 -8.664 -23.231 1.00 10.10 C ATOM 591 O PRO A 48 10.462 -7.449 -23.327 1.00 23.20 O ATOM 592 CB PRO A 48 11.568 -9.450 -21.036 1.00 54.12 C ATOM 593 CG PRO A 48 12.195 -10.768 -21.335 1.00 53.35 C ATOM 594 CD PRO A 48 11.061 -11.705 -21.644 1.00 75.42 C ATOM 0 HA PRO A 48 9.491 -8.853 -21.492 1.00 34.32 H new ATOM 0 HB2 PRO A 48 12.250 -8.628 -21.256 1.00 54.12 H new ATOM 0 HB3 PRO A 48 11.300 -9.369 -19.983 1.00 54.12 H new ATOM 0 HG2 PRO A 48 12.880 -10.692 -22.180 1.00 53.35 H new ATOM 0 HG3 PRO A 48 12.776 -11.126 -20.485 1.00 53.35 H new ATOM 0 HD2 PRO A 48 11.347 -12.450 -22.386 1.00 75.42 H new ATOM 0 HD3 PRO A 48 10.735 -12.248 -20.757 1.00 75.42 H new ATOM 602 N ASP A 49 11.100 -9.409 -24.229 1.00 23.12 N ATOM 603 CA ASP A 49 11.435 -8.829 -25.525 1.00 33.54 C ATOM 604 C ASP A 49 10.189 -8.278 -26.211 1.00 10.11 C ATOM 605 O ASP A 49 10.219 -7.198 -26.802 1.00 53.02 O ATOM 606 CB ASP A 49 12.103 -9.876 -26.418 1.00 4.42 C ATOM 607 CG ASP A 49 13.456 -10.310 -25.888 1.00 50.42 C ATOM 608 OD1 ASP A 49 14.438 -9.566 -26.091 1.00 23.13 O ATOM 609 OD2 ASP A 49 13.532 -11.393 -25.272 1.00 64.41 O ATOM 0 H ASP A 49 11.251 -10.416 -24.166 1.00 23.12 H new ATOM 0 HA ASP A 49 12.131 -8.007 -25.359 1.00 33.54 H new ATOM 0 HB2 ASP A 49 11.452 -10.747 -26.502 1.00 4.42 H new ATOM 0 HB3 ASP A 49 12.223 -9.470 -27.422 1.00 4.42 H new ATOM 614 N THR A 50 9.094 -9.027 -26.130 1.00 33.24 N ATOM 615 CA THR A 50 7.838 -8.615 -26.744 1.00 63.04 C ATOM 616 C THR A 50 6.767 -8.360 -25.690 1.00 23.41 C ATOM 617 O THR A 50 5.768 -9.077 -25.618 1.00 63.22 O ATOM 618 CB THR A 50 7.324 -9.675 -27.737 1.00 30.04 C ATOM 619 OG1 THR A 50 7.463 -10.983 -27.171 1.00 74.33 O ATOM 620 CG2 THR A 50 8.087 -9.601 -29.051 1.00 32.43 C ATOM 0 H THR A 50 9.052 -9.923 -25.645 1.00 33.24 H new ATOM 0 HA THR A 50 8.039 -7.689 -27.284 1.00 63.04 H new ATOM 0 HB THR A 50 6.271 -9.475 -27.936 1.00 30.04 H new ATOM 0 HG1 THR A 50 6.653 -11.505 -27.351 1.00 74.33 H new ATOM 0 HG21 THR A 50 7.706 -10.359 -29.736 1.00 32.43 H new ATOM 0 HG22 THR A 50 7.955 -8.613 -29.493 1.00 32.43 H new ATOM 0 HG23 THR A 50 9.147 -9.778 -28.867 1.00 32.43 H new ATOM 628 N THR A 51 6.981 -7.334 -24.872 1.00 35.30 N ATOM 629 CA THR A 51 6.034 -6.985 -23.821 1.00 35.34 C ATOM 630 C THR A 51 5.908 -5.473 -23.673 1.00 60.25 C ATOM 631 O THR A 51 6.881 -4.740 -23.850 1.00 21.00 O ATOM 632 CB THR A 51 6.450 -7.589 -22.466 1.00 44.40 C ATOM 633 OG1 THR A 51 5.370 -7.488 -21.532 1.00 2.35 O ATOM 634 CG2 THR A 51 7.676 -6.878 -21.911 1.00 53.12 C ATOM 0 H THR A 51 7.802 -6.730 -24.918 1.00 35.30 H new ATOM 0 HA THR A 51 5.070 -7.400 -24.115 1.00 35.34 H new ATOM 0 HB THR A 51 6.697 -8.639 -22.622 1.00 44.40 H new ATOM 0 HG1 THR A 51 4.517 -7.517 -22.014 1.00 2.35 H new ATOM 0 HG21 THR A 51 7.951 -7.321 -20.954 1.00 53.12 H new ATOM 0 HG22 THR A 51 8.505 -6.982 -22.611 1.00 53.12 H new ATOM 0 HG23 THR A 51 7.451 -5.821 -21.770 1.00 53.12 H new ATOM 642 N ARG A 52 4.704 -5.013 -23.349 1.00 4.24 N ATOM 643 CA ARG A 52 4.452 -3.587 -23.178 1.00 61.12 C ATOM 644 C ARG A 52 3.522 -3.337 -21.994 1.00 64.13 C ATOM 645 O ARG A 52 2.512 -4.022 -21.829 1.00 51.13 O ATOM 646 CB ARG A 52 3.842 -2.999 -24.452 1.00 63.52 C ATOM 647 CG ARG A 52 4.528 -3.465 -25.726 1.00 74.34 C ATOM 648 CD ARG A 52 4.155 -2.589 -26.912 1.00 2.43 C ATOM 649 NE ARG A 52 4.963 -2.890 -28.091 1.00 33.23 N ATOM 650 CZ ARG A 52 5.089 -2.067 -29.125 1.00 50.42 C ATOM 651 NH1 ARG A 52 4.464 -0.897 -29.126 1.00 22.10 N ATOM 652 NH2 ARG A 52 5.842 -2.412 -30.162 1.00 30.03 N ATOM 0 H ARG A 52 3.888 -5.607 -23.200 1.00 4.24 H new ATOM 0 HA ARG A 52 5.405 -3.097 -22.979 1.00 61.12 H new ATOM 0 HB2 ARG A 52 2.787 -3.269 -24.498 1.00 63.52 H new ATOM 0 HB3 ARG A 52 3.891 -1.911 -24.400 1.00 63.52 H new ATOM 0 HG2 ARG A 52 5.609 -3.448 -25.586 1.00 74.34 H new ATOM 0 HG3 ARG A 52 4.249 -4.498 -25.934 1.00 74.34 H new ATOM 0 HD2 ARG A 52 3.101 -2.730 -27.150 1.00 2.43 H new ATOM 0 HD3 ARG A 52 4.283 -1.541 -26.643 1.00 2.43 H new ATOM 0 HE ARG A 52 5.458 -3.782 -28.122 1.00 33.23 H new ATOM 0 HH11 ARG A 52 3.885 -0.628 -28.331 1.00 22.10 H new ATOM 0 HH12 ARG A 52 4.563 -0.267 -29.922 1.00 22.10 H new ATOM 0 HH21 ARG A 52 6.325 -3.310 -30.165 1.00 30.03 H new ATOM 0 HH22 ARG A 52 5.938 -1.779 -30.956 1.00 30.03 H new ATOM 666 N LEU A 53 3.871 -2.353 -21.173 1.00 33.02 N ATOM 667 CA LEU A 53 3.068 -2.012 -20.003 1.00 71.43 C ATOM 668 C LEU A 53 2.353 -0.680 -20.203 1.00 74.11 C ATOM 669 O LEU A 53 2.944 0.290 -20.679 1.00 73.34 O ATOM 670 CB LEU A 53 3.950 -1.948 -18.756 1.00 25.34 C ATOM 671 CG LEU A 53 3.386 -1.160 -17.574 1.00 15.34 C ATOM 672 CD1 LEU A 53 2.036 -1.721 -17.154 1.00 13.41 C ATOM 673 CD2 LEU A 53 4.360 -1.179 -16.405 1.00 31.21 C ATOM 0 H LEU A 53 4.704 -1.777 -21.295 1.00 33.02 H new ATOM 0 HA LEU A 53 2.317 -2.790 -19.869 1.00 71.43 H new ATOM 0 HB2 LEU A 53 4.151 -2.967 -18.425 1.00 25.34 H new ATOM 0 HB3 LEU A 53 4.908 -1.509 -19.035 1.00 25.34 H new ATOM 0 HG LEU A 53 3.246 -0.125 -17.887 1.00 15.34 H new ATOM 0 HD11 LEU A 53 1.650 -1.148 -16.311 1.00 13.41 H new ATOM 0 HD12 LEU A 53 1.338 -1.654 -17.989 1.00 13.41 H new ATOM 0 HD13 LEU A 53 2.151 -2.764 -16.861 1.00 13.41 H new ATOM 0 HD21 LEU A 53 3.941 -0.613 -15.573 1.00 31.21 H new ATOM 0 HD22 LEU A 53 4.533 -2.209 -16.092 1.00 31.21 H new ATOM 0 HD23 LEU A 53 5.304 -0.729 -16.711 1.00 31.21 H new ATOM 685 N THR A 54 1.076 -0.638 -19.834 1.00 21.31 N ATOM 686 CA THR A 54 0.280 0.575 -19.971 1.00 61.33 C ATOM 687 C THR A 54 -0.393 0.943 -18.654 1.00 3.01 C ATOM 688 O THR A 54 -1.069 0.118 -18.039 1.00 53.14 O ATOM 689 CB THR A 54 -0.799 0.418 -21.060 1.00 2.45 C ATOM 690 OG1 THR A 54 -1.453 -0.848 -20.923 1.00 23.22 O ATOM 691 CG2 THR A 54 -0.187 0.532 -22.448 1.00 15.01 C ATOM 0 H THR A 54 0.571 -1.431 -19.438 1.00 21.31 H new ATOM 0 HA THR A 54 0.965 1.372 -20.260 1.00 61.33 H new ATOM 0 HB THR A 54 -1.529 1.218 -20.936 1.00 2.45 H new ATOM 0 HG1 THR A 54 -2.424 -0.718 -20.942 1.00 23.22 H new ATOM 0 HG21 THR A 54 -0.968 0.418 -23.200 1.00 15.01 H new ATOM 0 HG22 THR A 54 0.284 1.509 -22.559 1.00 15.01 H new ATOM 0 HG23 THR A 54 0.562 -0.249 -22.581 1.00 15.01 H new ATOM 699 N TYR A 55 -0.203 2.186 -18.226 1.00 14.12 N ATOM 700 CA TYR A 55 -0.791 2.663 -16.980 1.00 11.05 C ATOM 701 C TYR A 55 -1.680 3.878 -17.226 1.00 50.13 C ATOM 702 O TYR A 55 -1.258 4.857 -17.842 1.00 62.14 O ATOM 703 CB TYR A 55 0.307 3.016 -15.976 1.00 5.45 C ATOM 704 CG TYR A 55 -0.205 3.726 -14.742 1.00 64.34 C ATOM 705 CD1 TYR A 55 -1.363 3.300 -14.103 1.00 43.40 C ATOM 706 CD2 TYR A 55 0.469 4.822 -14.217 1.00 72.41 C ATOM 707 CE1 TYR A 55 -1.835 3.946 -12.976 1.00 62.24 C ATOM 708 CE2 TYR A 55 0.005 5.472 -13.090 1.00 52.12 C ATOM 709 CZ TYR A 55 -1.147 5.031 -12.474 1.00 33.44 C ATOM 710 OH TYR A 55 -1.613 5.677 -11.352 1.00 35.23 O ATOM 0 H TYR A 55 0.353 2.881 -18.723 1.00 14.12 H new ATOM 0 HA TYR A 55 -1.407 1.863 -16.569 1.00 11.05 H new ATOM 0 HB2 TYR A 55 0.818 2.102 -15.673 1.00 5.45 H new ATOM 0 HB3 TYR A 55 1.047 3.647 -16.467 1.00 5.45 H new ATOM 0 HD1 TYR A 55 -1.903 2.450 -14.493 1.00 43.40 H new ATOM 0 HD2 TYR A 55 1.371 5.171 -14.698 1.00 72.41 H new ATOM 0 HE1 TYR A 55 -2.737 3.603 -12.491 1.00 62.24 H new ATOM 0 HE2 TYR A 55 0.542 6.321 -12.693 1.00 52.12 H new ATOM 0 HH TYR A 55 -1.771 6.621 -11.560 1.00 35.23 H new ATOM 720 N LYS A 56 -2.915 3.808 -16.740 1.00 44.21 N ATOM 721 CA LYS A 56 -3.865 4.902 -16.904 1.00 72.54 C ATOM 722 C LYS A 56 -4.039 5.255 -18.378 1.00 61.41 C ATOM 723 O LYS A 56 -4.248 6.415 -18.728 1.00 0.41 O ATOM 724 CB LYS A 56 -3.397 6.133 -16.126 1.00 12.02 C ATOM 725 CG LYS A 56 -4.535 6.953 -15.543 1.00 32.23 C ATOM 726 CD LYS A 56 -4.715 8.265 -16.287 1.00 0.54 C ATOM 727 CE LYS A 56 -6.182 8.548 -16.571 1.00 51.52 C ATOM 728 NZ LYS A 56 -6.440 10.003 -16.759 1.00 12.14 N ATOM 0 H LYS A 56 -3.281 3.005 -16.229 1.00 44.21 H new ATOM 0 HA LYS A 56 -4.828 4.576 -16.510 1.00 72.54 H new ATOM 0 HB2 LYS A 56 -2.740 5.813 -15.318 1.00 12.02 H new ATOM 0 HB3 LYS A 56 -2.805 6.767 -16.787 1.00 12.02 H new ATOM 0 HG2 LYS A 56 -5.460 6.378 -15.589 1.00 32.23 H new ATOM 0 HG3 LYS A 56 -4.337 7.155 -14.490 1.00 32.23 H new ATOM 0 HD2 LYS A 56 -4.294 9.079 -15.698 1.00 0.54 H new ATOM 0 HD3 LYS A 56 -4.162 8.231 -17.225 1.00 0.54 H new ATOM 0 HE2 LYS A 56 -6.490 8.006 -17.465 1.00 51.52 H new ATOM 0 HE3 LYS A 56 -6.790 8.175 -15.747 1.00 51.52 H new ATOM 0 HZ1 LYS A 56 -7.451 10.154 -16.950 1.00 12.14 H new ATOM 0 HZ2 LYS A 56 -6.170 10.518 -15.897 1.00 12.14 H new ATOM 0 HZ3 LYS A 56 -5.879 10.354 -17.561 1.00 12.14 H new ATOM 742 N GLY A 57 -3.952 4.244 -19.238 1.00 53.45 N ATOM 743 CA GLY A 57 -4.104 4.469 -20.664 1.00 43.11 C ATOM 744 C GLY A 57 -2.921 5.202 -21.264 1.00 44.53 C ATOM 745 O GLY A 57 -2.956 5.604 -22.427 1.00 41.35 O ATOM 0 H GLY A 57 -3.779 3.274 -18.973 1.00 53.45 H new ATOM 0 HA2 GLY A 57 -4.228 3.511 -21.169 1.00 43.11 H new ATOM 0 HA3 GLY A 57 -5.013 5.044 -20.843 1.00 43.11 H new ATOM 749 N ARG A 58 -1.870 5.379 -20.469 1.00 74.22 N ATOM 750 CA ARG A 58 -0.672 6.072 -20.928 1.00 75.41 C ATOM 751 C ARG A 58 0.530 5.132 -20.935 1.00 51.11 C ATOM 752 O ARG A 58 0.577 4.163 -20.178 1.00 71.35 O ATOM 753 CB ARG A 58 -0.383 7.280 -20.036 1.00 54.53 C ATOM 754 CG ARG A 58 -0.217 8.580 -20.807 1.00 14.00 C ATOM 755 CD ARG A 58 0.887 9.442 -20.215 1.00 34.24 C ATOM 756 NE ARG A 58 1.300 10.505 -21.127 1.00 20.13 N ATOM 757 CZ ARG A 58 2.147 11.472 -20.792 1.00 55.31 C ATOM 758 NH1 ARG A 58 2.667 11.510 -19.573 1.00 40.22 N ATOM 759 NH2 ARG A 58 2.474 12.404 -21.678 1.00 4.42 N ATOM 0 H ARG A 58 -1.824 5.052 -19.504 1.00 74.22 H new ATOM 0 HA ARG A 58 -0.849 6.416 -21.947 1.00 75.41 H new ATOM 0 HB2 ARG A 58 -1.196 7.394 -19.319 1.00 54.53 H new ATOM 0 HB3 ARG A 58 0.524 7.089 -19.463 1.00 54.53 H new ATOM 0 HG2 ARG A 58 0.012 8.359 -21.850 1.00 14.00 H new ATOM 0 HG3 ARG A 58 -1.156 9.133 -20.797 1.00 14.00 H new ATOM 0 HD2 ARG A 58 0.541 9.881 -19.279 1.00 34.24 H new ATOM 0 HD3 ARG A 58 1.746 8.816 -19.975 1.00 34.24 H new ATOM 0 HE ARG A 58 0.917 10.505 -22.073 1.00 20.13 H new ATOM 0 HH11 ARG A 58 2.417 10.795 -18.889 1.00 40.22 H new ATOM 0 HH12 ARG A 58 3.317 12.254 -19.319 1.00 40.22 H new ATOM 0 HH21 ARG A 58 2.075 12.378 -22.616 1.00 4.42 H new ATOM 0 HH22 ARG A 58 3.124 13.146 -21.421 1.00 4.42 H new ATOM 773 N ALA A 59 1.499 5.426 -21.795 1.00 44.41 N ATOM 774 CA ALA A 59 2.702 4.609 -21.900 1.00 11.44 C ATOM 775 C ALA A 59 3.888 5.289 -21.223 1.00 33.20 C ATOM 776 O ALA A 59 4.300 6.380 -21.618 1.00 55.34 O ATOM 777 CB ALA A 59 3.019 4.321 -23.359 1.00 50.15 C ATOM 0 H ALA A 59 1.475 6.224 -22.430 1.00 44.41 H new ATOM 0 HA ALA A 59 2.516 3.665 -21.387 1.00 11.44 H new ATOM 0 HB1 ALA A 59 3.920 3.710 -23.422 1.00 50.15 H new ATOM 0 HB2 ALA A 59 2.185 3.786 -23.814 1.00 50.15 H new ATOM 0 HB3 ALA A 59 3.180 5.260 -23.889 1.00 50.15 H new ATOM 783 N LEU A 60 4.432 4.638 -20.201 1.00 64.32 N ATOM 784 CA LEU A 60 5.572 5.180 -19.468 1.00 75.34 C ATOM 785 C LEU A 60 6.767 4.236 -19.545 1.00 63.13 C ATOM 786 O LEU A 60 6.607 3.024 -19.693 1.00 44.10 O ATOM 787 CB LEU A 60 5.193 5.424 -18.007 1.00 22.14 C ATOM 788 CG LEU A 60 3.946 6.276 -17.769 1.00 51.14 C ATOM 789 CD1 LEU A 60 2.865 5.459 -17.078 1.00 40.53 C ATOM 790 CD2 LEU A 60 4.291 7.510 -16.949 1.00 2.23 C ATOM 0 H LEU A 60 4.103 3.735 -19.861 1.00 64.32 H new ATOM 0 HA LEU A 60 5.852 6.128 -19.928 1.00 75.34 H new ATOM 0 HB2 LEU A 60 5.045 4.458 -17.525 1.00 22.14 H new ATOM 0 HB3 LEU A 60 6.036 5.903 -17.509 1.00 22.14 H new ATOM 0 HG LEU A 60 3.563 6.603 -18.736 1.00 51.14 H new ATOM 0 HD11 LEU A 60 1.985 6.082 -16.917 1.00 40.53 H new ATOM 0 HD12 LEU A 60 2.597 4.607 -17.703 1.00 40.53 H new ATOM 0 HD13 LEU A 60 3.237 5.101 -16.118 1.00 40.53 H new ATOM 0 HD21 LEU A 60 3.391 8.104 -16.790 1.00 2.23 H new ATOM 0 HD22 LEU A 60 4.699 7.204 -15.986 1.00 2.23 H new ATOM 0 HD23 LEU A 60 5.030 8.107 -17.483 1.00 2.23 H new ATOM 802 N LYS A 61 7.966 4.799 -19.442 1.00 24.11 N ATOM 803 CA LYS A 61 9.191 4.009 -19.496 1.00 35.41 C ATOM 804 C LYS A 61 10.357 4.769 -18.874 1.00 2.41 C ATOM 805 O LYS A 61 10.798 4.453 -17.769 1.00 0.22 O ATOM 806 CB LYS A 61 9.521 3.641 -20.944 1.00 45.53 C ATOM 807 CG LYS A 61 8.980 4.631 -21.962 1.00 32.15 C ATOM 808 CD LYS A 61 7.626 4.196 -22.497 1.00 30.44 C ATOM 809 CE LYS A 61 7.727 3.699 -23.931 1.00 30.13 C ATOM 810 NZ LYS A 61 7.236 4.713 -24.905 1.00 20.23 N ATOM 0 H LYS A 61 8.116 5.801 -19.321 1.00 24.11 H new ATOM 0 HA LYS A 61 9.030 3.096 -18.923 1.00 35.41 H new ATOM 0 HB2 LYS A 61 10.603 3.573 -21.055 1.00 45.53 H new ATOM 0 HB3 LYS A 61 9.116 2.652 -21.160 1.00 45.53 H new ATOM 0 HG2 LYS A 61 8.892 5.615 -21.502 1.00 32.15 H new ATOM 0 HG3 LYS A 61 9.685 4.727 -22.788 1.00 32.15 H new ATOM 0 HD2 LYS A 61 7.220 3.406 -21.865 1.00 30.44 H new ATOM 0 HD3 LYS A 61 6.929 5.032 -22.449 1.00 30.44 H new ATOM 0 HE2 LYS A 61 8.764 3.450 -24.157 1.00 30.13 H new ATOM 0 HE3 LYS A 61 7.148 2.782 -24.039 1.00 30.13 H new ATOM 0 HZ1 LYS A 61 7.321 4.337 -25.871 1.00 20.23 H new ATOM 0 HZ2 LYS A 61 6.239 4.932 -24.705 1.00 20.23 H new ATOM 0 HZ3 LYS A 61 7.804 5.580 -24.820 1.00 20.23 H new ATOM 824 N ASP A 62 10.851 5.773 -19.590 1.00 5.43 N ATOM 825 CA ASP A 62 11.965 6.581 -19.106 1.00 44.05 C ATOM 826 C ASP A 62 11.503 7.554 -18.027 1.00 12.41 C ATOM 827 O ASP A 62 12.313 8.254 -17.418 1.00 15.34 O ATOM 828 CB ASP A 62 12.605 7.350 -20.263 1.00 64.25 C ATOM 829 CG ASP A 62 13.542 6.486 -21.085 1.00 31.31 C ATOM 830 OD1 ASP A 62 13.044 5.667 -21.885 1.00 61.31 O ATOM 831 OD2 ASP A 62 14.773 6.628 -20.927 1.00 32.00 O ATOM 0 H ASP A 62 10.498 6.047 -20.507 1.00 5.43 H new ATOM 0 HA ASP A 62 12.706 5.910 -18.671 1.00 44.05 H new ATOM 0 HB2 ASP A 62 11.822 7.747 -20.909 1.00 64.25 H new ATOM 0 HB3 ASP A 62 13.156 8.204 -19.868 1.00 64.25 H new ATOM 836 N THR A 63 10.194 7.595 -17.795 1.00 43.10 N ATOM 837 CA THR A 63 9.623 8.484 -16.791 1.00 62.11 C ATOM 838 C THR A 63 10.217 8.212 -15.414 1.00 22.51 C ATOM 839 O THR A 63 10.152 9.057 -14.522 1.00 44.13 O ATOM 840 CB THR A 63 8.092 8.336 -16.716 1.00 32.24 C ATOM 841 OG1 THR A 63 7.568 7.998 -18.005 1.00 22.12 O ATOM 842 CG2 THR A 63 7.447 9.622 -16.222 1.00 44.52 C ATOM 0 H THR A 63 9.510 7.022 -18.289 1.00 43.10 H new ATOM 0 HA THR A 63 9.868 9.502 -17.094 1.00 62.11 H new ATOM 0 HB THR A 63 7.861 7.538 -16.010 1.00 32.24 H new ATOM 0 HG1 THR A 63 6.948 8.698 -18.300 1.00 22.12 H new ATOM 0 HG21 THR A 63 6.366 9.493 -16.177 1.00 44.52 H new ATOM 0 HG22 THR A 63 7.825 9.860 -15.228 1.00 44.52 H new ATOM 0 HG23 THR A 63 7.687 10.436 -16.906 1.00 44.52 H new ATOM 850 N GLU A 64 10.796 7.026 -15.248 1.00 43.50 N ATOM 851 CA GLU A 64 11.402 6.644 -13.978 1.00 12.02 C ATOM 852 C GLU A 64 10.347 6.548 -12.879 1.00 41.32 C ATOM 853 O GLU A 64 9.871 5.461 -12.552 1.00 22.33 O ATOM 854 CB GLU A 64 12.481 7.652 -13.578 1.00 12.53 C ATOM 855 CG GLU A 64 13.896 7.167 -13.842 1.00 20.44 C ATOM 856 CD GLU A 64 14.812 8.273 -14.328 1.00 13.23 C ATOM 857 OE1 GLU A 64 14.573 9.443 -13.962 1.00 2.32 O ATOM 858 OE2 GLU A 64 15.766 7.970 -15.074 1.00 31.33 O ATOM 0 H GLU A 64 10.858 6.315 -15.976 1.00 43.50 H new ATOM 0 HA GLU A 64 11.861 5.663 -14.104 1.00 12.02 H new ATOM 0 HB2 GLU A 64 12.317 8.582 -14.123 1.00 12.53 H new ATOM 0 HB3 GLU A 64 12.377 7.881 -12.518 1.00 12.53 H new ATOM 0 HG2 GLU A 64 14.305 6.737 -12.928 1.00 20.44 H new ATOM 0 HG3 GLU A 64 13.870 6.370 -14.585 1.00 20.44 H new ATOM 865 N THR A 65 9.986 7.695 -12.312 1.00 52.31 N ATOM 866 CA THR A 65 8.989 7.742 -11.250 1.00 5.05 C ATOM 867 C THR A 65 7.613 8.095 -11.802 1.00 20.44 C ATOM 868 O THR A 65 7.494 8.641 -12.899 1.00 62.43 O ATOM 869 CB THR A 65 9.373 8.766 -10.165 1.00 12.23 C ATOM 870 OG1 THR A 65 8.312 8.889 -9.210 1.00 64.22 O ATOM 871 CG2 THR A 65 9.665 10.125 -10.783 1.00 3.13 C ATOM 0 H THR A 65 10.370 8.604 -12.571 1.00 52.31 H new ATOM 0 HA THR A 65 8.954 6.748 -10.805 1.00 5.05 H new ATOM 0 HB THR A 65 10.274 8.411 -9.664 1.00 12.23 H new ATOM 0 HG1 THR A 65 8.286 9.806 -8.866 1.00 64.22 H new ATOM 0 HG21 THR A 65 9.934 10.832 -9.998 1.00 3.13 H new ATOM 0 HG22 THR A 65 10.491 10.034 -11.488 1.00 3.13 H new ATOM 0 HG23 THR A 65 8.779 10.484 -11.307 1.00 3.13 H new ATOM 879 N LEU A 66 6.575 7.780 -11.035 1.00 10.35 N ATOM 880 CA LEU A 66 5.205 8.065 -11.447 1.00 11.01 C ATOM 881 C LEU A 66 4.489 8.919 -10.405 1.00 41.14 C ATOM 882 O LEU A 66 3.686 9.787 -10.747 1.00 22.23 O ATOM 883 CB LEU A 66 4.437 6.761 -11.669 1.00 32.11 C ATOM 884 CG LEU A 66 4.146 6.393 -13.124 1.00 62.42 C ATOM 885 CD1 LEU A 66 5.422 6.434 -13.950 1.00 63.44 C ATOM 886 CD2 LEU A 66 3.499 5.018 -13.207 1.00 73.04 C ATOM 0 H LEU A 66 6.656 7.327 -10.125 1.00 10.35 H new ATOM 0 HA LEU A 66 5.242 8.622 -12.383 1.00 11.01 H new ATOM 0 HB2 LEU A 66 5.003 5.947 -11.216 1.00 32.11 H new ATOM 0 HB3 LEU A 66 3.489 6.826 -11.135 1.00 32.11 H new ATOM 0 HG LEU A 66 3.450 7.126 -13.532 1.00 62.42 H new ATOM 0 HD11 LEU A 66 5.196 6.169 -14.983 1.00 63.44 H new ATOM 0 HD12 LEU A 66 5.845 7.438 -13.917 1.00 63.44 H new ATOM 0 HD13 LEU A 66 6.142 5.724 -13.543 1.00 63.44 H new ATOM 0 HD21 LEU A 66 3.299 4.772 -14.250 1.00 73.04 H new ATOM 0 HD22 LEU A 66 4.171 4.273 -12.781 1.00 73.04 H new ATOM 0 HD23 LEU A 66 2.563 5.022 -12.649 1.00 73.04 H new ATOM 898 N GLU A 67 4.788 8.668 -9.135 1.00 31.24 N ATOM 899 CA GLU A 67 4.173 9.415 -8.044 1.00 3.41 C ATOM 900 C GLU A 67 4.541 10.894 -8.123 1.00 4.23 C ATOM 901 O GLU A 67 3.788 11.757 -7.672 1.00 41.21 O ATOM 902 CB GLU A 67 4.609 8.841 -6.694 1.00 15.51 C ATOM 903 CG GLU A 67 3.849 9.421 -5.513 1.00 1.54 C ATOM 904 CD GLU A 67 4.750 9.722 -4.331 1.00 2.34 C ATOM 905 OE1 GLU A 67 5.620 8.883 -4.018 1.00 61.23 O ATOM 906 OE2 GLU A 67 4.585 10.798 -3.718 1.00 51.12 O ATOM 0 H GLU A 67 5.452 7.954 -8.836 1.00 31.24 H new ATOM 0 HA GLU A 67 3.091 9.322 -8.138 1.00 3.41 H new ATOM 0 HB2 GLU A 67 4.473 7.760 -6.707 1.00 15.51 H new ATOM 0 HB3 GLU A 67 5.674 9.027 -6.557 1.00 15.51 H new ATOM 0 HG2 GLU A 67 3.346 10.336 -5.824 1.00 1.54 H new ATOM 0 HG3 GLU A 67 3.074 8.720 -5.205 1.00 1.54 H new ATOM 913 N SER A 68 5.705 11.178 -8.698 1.00 5.40 N ATOM 914 CA SER A 68 6.177 12.552 -8.832 1.00 74.13 C ATOM 915 C SER A 68 5.248 13.359 -9.735 1.00 63.31 C ATOM 916 O SER A 68 5.290 14.590 -9.747 1.00 31.22 O ATOM 917 CB SER A 68 7.599 12.573 -9.395 1.00 60.32 C ATOM 918 OG SER A 68 8.538 12.145 -8.424 1.00 61.31 O ATOM 0 H SER A 68 6.339 10.475 -9.079 1.00 5.40 H new ATOM 0 HA SER A 68 6.180 13.008 -7.842 1.00 74.13 H new ATOM 0 HB2 SER A 68 7.656 11.927 -10.271 1.00 60.32 H new ATOM 0 HB3 SER A 68 7.848 13.581 -9.726 1.00 60.32 H new ATOM 0 HG SER A 68 9.430 12.470 -8.666 1.00 61.31 H new ATOM 924 N LEU A 69 4.411 12.657 -10.491 1.00 22.43 N ATOM 925 CA LEU A 69 3.471 13.306 -11.398 1.00 3.01 C ATOM 926 C LEU A 69 2.082 13.391 -10.774 1.00 21.34 C ATOM 927 O LEU A 69 1.216 14.119 -11.257 1.00 64.22 O ATOM 928 CB LEU A 69 3.402 12.545 -12.723 1.00 30.42 C ATOM 929 CG LEU A 69 4.743 12.131 -13.330 1.00 71.11 C ATOM 930 CD1 LEU A 69 4.527 11.276 -14.569 1.00 54.44 C ATOM 931 CD2 LEU A 69 5.578 13.358 -13.665 1.00 52.24 C ATOM 0 H LEU A 69 4.364 11.638 -10.494 1.00 22.43 H new ATOM 0 HA LEU A 69 3.827 14.319 -11.586 1.00 3.01 H new ATOM 0 HB2 LEU A 69 2.802 11.648 -12.573 1.00 30.42 H new ATOM 0 HB3 LEU A 69 2.874 13.165 -13.448 1.00 30.42 H new ATOM 0 HG LEU A 69 5.285 11.537 -12.594 1.00 71.11 H new ATOM 0 HD11 LEU A 69 5.492 10.991 -14.987 1.00 54.44 H new ATOM 0 HD12 LEU A 69 3.969 10.379 -14.299 1.00 54.44 H new ATOM 0 HD13 LEU A 69 3.964 11.844 -15.310 1.00 54.44 H new ATOM 0 HD21 LEU A 69 6.529 13.044 -14.096 1.00 52.24 H new ATOM 0 HD22 LEU A 69 5.041 13.978 -14.383 1.00 52.24 H new ATOM 0 HD23 LEU A 69 5.763 13.931 -12.757 1.00 52.24 H new ATOM 943 N GLY A 70 1.877 12.642 -9.694 1.00 61.11 N ATOM 944 CA GLY A 70 0.592 12.648 -9.020 1.00 1.51 C ATOM 945 C GLY A 70 -0.037 11.271 -8.959 1.00 35.15 C ATOM 946 O GLY A 70 -1.257 11.142 -8.846 1.00 24.10 O ATOM 0 H GLY A 70 2.578 12.031 -9.274 1.00 61.11 H new ATOM 0 HA2 GLY A 70 0.718 13.032 -8.008 1.00 1.51 H new ATOM 0 HA3 GLY A 70 -0.083 13.330 -9.537 1.00 1.51 H new ATOM 950 N VAL A 71 0.795 10.237 -9.034 1.00 42.53 N ATOM 951 CA VAL A 71 0.313 8.862 -8.987 1.00 41.33 C ATOM 952 C VAL A 71 0.297 8.334 -7.557 1.00 65.13 C ATOM 953 O VAL A 71 1.200 8.617 -6.770 1.00 40.33 O ATOM 954 CB VAL A 71 1.181 7.933 -9.857 1.00 10.32 C ATOM 955 CG1 VAL A 71 0.682 6.499 -9.768 1.00 41.05 C ATOM 956 CG2 VAL A 71 1.194 8.414 -11.300 1.00 24.10 C ATOM 0 H VAL A 71 1.807 10.326 -9.128 1.00 42.53 H new ATOM 0 HA VAL A 71 -0.704 8.869 -9.380 1.00 41.33 H new ATOM 0 HB VAL A 71 2.203 7.960 -9.480 1.00 10.32 H new ATOM 0 HG11 VAL A 71 1.307 5.857 -10.389 1.00 41.05 H new ATOM 0 HG12 VAL A 71 0.730 6.161 -8.733 1.00 41.05 H new ATOM 0 HG13 VAL A 71 -0.349 6.450 -10.118 1.00 41.05 H new ATOM 0 HG21 VAL A 71 1.812 7.746 -11.901 1.00 24.10 H new ATOM 0 HG22 VAL A 71 0.177 8.417 -11.692 1.00 24.10 H new ATOM 0 HG23 VAL A 71 1.603 9.424 -11.343 1.00 24.10 H new ATOM 966 N ALA A 72 -0.734 7.564 -7.228 1.00 73.31 N ATOM 967 CA ALA A 72 -0.866 6.993 -5.893 1.00 55.14 C ATOM 968 C ALA A 72 -0.715 5.476 -5.927 1.00 41.24 C ATOM 969 O ALA A 72 -0.614 4.877 -6.998 1.00 34.30 O ATOM 970 CB ALA A 72 -2.207 7.378 -5.285 1.00 50.02 C ATOM 0 H ALA A 72 -1.491 7.321 -7.867 1.00 73.31 H new ATOM 0 HA ALA A 72 -0.067 7.397 -5.271 1.00 55.14 H new ATOM 0 HB1 ALA A 72 -2.292 6.945 -4.288 1.00 50.02 H new ATOM 0 HB2 ALA A 72 -2.277 8.464 -5.216 1.00 50.02 H new ATOM 0 HB3 ALA A 72 -3.013 7.002 -5.914 1.00 50.02 H new ATOM 976 N ASP A 73 -0.698 4.862 -4.750 1.00 35.52 N ATOM 977 CA ASP A 73 -0.559 3.414 -4.645 1.00 33.40 C ATOM 978 C ASP A 73 -1.925 2.734 -4.661 1.00 21.15 C ATOM 979 O ASP A 73 -2.862 3.186 -4.005 1.00 13.43 O ATOM 980 CB ASP A 73 0.194 3.044 -3.366 1.00 71.43 C ATOM 981 CG ASP A 73 1.684 3.297 -3.478 1.00 64.24 C ATOM 982 OD1 ASP A 73 2.324 2.692 -4.364 1.00 64.02 O ATOM 983 OD2 ASP A 73 2.211 4.101 -2.681 1.00 32.40 O ATOM 0 H ASP A 73 -0.779 5.344 -3.855 1.00 35.52 H new ATOM 0 HA ASP A 73 0.010 3.065 -5.506 1.00 33.40 H new ATOM 0 HB2 ASP A 73 -0.208 3.620 -2.532 1.00 71.43 H new ATOM 0 HB3 ASP A 73 0.023 1.992 -3.139 1.00 71.43 H new ATOM 988 N GLY A 74 -2.030 1.644 -5.415 1.00 43.45 N ATOM 989 CA GLY A 74 -3.285 0.921 -5.503 1.00 65.34 C ATOM 990 C GLY A 74 -3.933 1.048 -6.868 1.00 24.32 C ATOM 991 O GLY A 74 -5.157 1.009 -6.987 1.00 34.52 O ATOM 0 H GLY A 74 -1.268 1.249 -5.966 1.00 43.45 H new ATOM 0 HA2 GLY A 74 -3.110 -0.132 -5.284 1.00 65.34 H new ATOM 0 HA3 GLY A 74 -3.970 1.295 -4.743 1.00 65.34 H new ATOM 995 N ASP A 75 -3.110 1.202 -7.900 1.00 32.15 N ATOM 996 CA ASP A 75 -3.610 1.336 -9.263 1.00 34.12 C ATOM 997 C ASP A 75 -3.507 0.011 -10.012 1.00 40.33 C ATOM 998 O ASP A 75 -2.772 -0.889 -9.606 1.00 2.20 O ATOM 999 CB ASP A 75 -2.833 2.421 -10.010 1.00 30.13 C ATOM 1000 CG ASP A 75 -3.450 3.795 -9.840 1.00 43.44 C ATOM 1001 OD1 ASP A 75 -3.179 4.444 -8.808 1.00 52.40 O ATOM 1002 OD2 ASP A 75 -4.202 4.223 -10.741 1.00 30.34 O ATOM 0 H ASP A 75 -2.094 1.237 -7.818 1.00 32.15 H new ATOM 0 HA ASP A 75 -4.660 1.623 -9.212 1.00 34.12 H new ATOM 0 HB2 ASP A 75 -1.804 2.441 -9.650 1.00 30.13 H new ATOM 0 HB3 ASP A 75 -2.795 2.172 -11.070 1.00 30.13 H new ATOM 1007 N LYS A 76 -4.249 -0.102 -11.109 1.00 12.24 N ATOM 1008 CA LYS A 76 -4.242 -1.316 -11.916 1.00 41.21 C ATOM 1009 C LYS A 76 -3.462 -1.104 -13.210 1.00 20.12 C ATOM 1010 O LYS A 76 -3.700 -0.141 -13.939 1.00 63.01 O ATOM 1011 CB LYS A 76 -5.674 -1.748 -12.237 1.00 35.22 C ATOM 1012 CG LYS A 76 -6.457 -2.209 -11.020 1.00 35.33 C ATOM 1013 CD LYS A 76 -7.782 -1.474 -10.897 1.00 63.33 C ATOM 1014 CE LYS A 76 -8.742 -2.206 -9.973 1.00 32.43 C ATOM 1015 NZ LYS A 76 -10.151 -2.104 -10.443 1.00 14.10 N ATOM 0 H LYS A 76 -4.863 0.633 -11.459 1.00 12.24 H new ATOM 0 HA LYS A 76 -3.752 -2.102 -11.341 1.00 41.21 H new ATOM 0 HB2 LYS A 76 -6.200 -0.915 -12.703 1.00 35.22 H new ATOM 0 HB3 LYS A 76 -5.646 -2.556 -12.968 1.00 35.22 H new ATOM 0 HG2 LYS A 76 -6.640 -3.281 -11.089 1.00 35.33 H new ATOM 0 HG3 LYS A 76 -5.864 -2.044 -10.121 1.00 35.33 H new ATOM 0 HD2 LYS A 76 -7.607 -0.467 -10.518 1.00 63.33 H new ATOM 0 HD3 LYS A 76 -8.234 -1.369 -11.883 1.00 63.33 H new ATOM 0 HE2 LYS A 76 -8.456 -3.256 -9.910 1.00 32.43 H new ATOM 0 HE3 LYS A 76 -8.664 -1.793 -8.967 1.00 32.43 H new ATOM 0 HZ1 LYS A 76 -10.774 -2.616 -9.786 1.00 14.10 H new ATOM 0 HZ2 LYS A 76 -10.433 -1.104 -10.479 1.00 14.10 H new ATOM 0 HZ3 LYS A 76 -10.231 -2.521 -11.392 1.00 14.10 H new ATOM 1029 N PHE A 77 -2.531 -2.010 -13.489 1.00 71.32 N ATOM 1030 CA PHE A 77 -1.717 -1.923 -14.696 1.00 4.34 C ATOM 1031 C PHE A 77 -2.062 -3.047 -15.668 1.00 24.24 C ATOM 1032 O PHE A 77 -2.464 -4.136 -15.258 1.00 31.05 O ATOM 1033 CB PHE A 77 -0.230 -1.981 -14.338 1.00 40.41 C ATOM 1034 CG PHE A 77 0.144 -1.093 -13.186 1.00 24.24 C ATOM 1035 CD1 PHE A 77 -0.334 0.205 -13.110 1.00 20.14 C ATOM 1036 CD2 PHE A 77 0.975 -1.557 -12.178 1.00 61.13 C ATOM 1037 CE1 PHE A 77 0.008 1.024 -12.050 1.00 42.12 C ATOM 1038 CE2 PHE A 77 1.320 -0.743 -11.116 1.00 44.23 C ATOM 1039 CZ PHE A 77 0.837 0.550 -11.053 1.00 24.32 C ATOM 0 H PHE A 77 -2.321 -2.813 -12.896 1.00 71.32 H new ATOM 0 HA PHE A 77 -1.931 -0.970 -15.181 1.00 4.34 H new ATOM 0 HB2 PHE A 77 0.037 -3.009 -14.095 1.00 40.41 H new ATOM 0 HB3 PHE A 77 0.357 -1.697 -15.211 1.00 40.41 H new ATOM 0 HD1 PHE A 77 -0.981 0.582 -13.888 1.00 20.14 H new ATOM 0 HD2 PHE A 77 1.357 -2.566 -12.223 1.00 61.13 H new ATOM 0 HE1 PHE A 77 -0.373 2.033 -12.002 1.00 42.12 H new ATOM 0 HE2 PHE A 77 1.967 -1.117 -10.336 1.00 44.23 H new ATOM 0 HZ PHE A 77 1.108 1.189 -10.225 1.00 24.32 H new ATOM 1049 N VAL A 78 -1.901 -2.775 -16.959 1.00 35.11 N ATOM 1050 CA VAL A 78 -2.195 -3.763 -17.990 1.00 50.25 C ATOM 1051 C VAL A 78 -0.914 -4.288 -18.629 1.00 51.43 C ATOM 1052 O VAL A 78 -0.099 -3.516 -19.137 1.00 74.15 O ATOM 1053 CB VAL A 78 -3.100 -3.175 -19.089 1.00 51.23 C ATOM 1054 CG1 VAL A 78 -3.399 -4.221 -20.152 1.00 63.21 C ATOM 1055 CG2 VAL A 78 -4.387 -2.634 -18.486 1.00 13.44 C ATOM 0 H VAL A 78 -1.569 -1.879 -17.316 1.00 35.11 H new ATOM 0 HA VAL A 78 -2.717 -4.585 -17.501 1.00 50.25 H new ATOM 0 HB VAL A 78 -2.573 -2.348 -19.565 1.00 51.23 H new ATOM 0 HG11 VAL A 78 -4.040 -3.787 -20.920 1.00 63.21 H new ATOM 0 HG12 VAL A 78 -2.466 -4.556 -20.605 1.00 63.21 H new ATOM 0 HG13 VAL A 78 -3.906 -5.070 -19.694 1.00 63.21 H new ATOM 0 HG21 VAL A 78 -5.014 -2.222 -19.277 1.00 13.44 H new ATOM 0 HG22 VAL A 78 -4.920 -3.441 -17.983 1.00 13.44 H new ATOM 0 HG23 VAL A 78 -4.150 -1.851 -17.766 1.00 13.44 H new ATOM 1065 N LEU A 79 -0.742 -5.605 -18.601 1.00 10.53 N ATOM 1066 CA LEU A 79 0.441 -6.234 -19.178 1.00 35.31 C ATOM 1067 C LEU A 79 0.087 -6.989 -20.455 1.00 51.25 C ATOM 1068 O LEU A 79 -0.775 -7.869 -20.450 1.00 2.50 O ATOM 1069 CB LEU A 79 1.078 -7.190 -18.168 1.00 2.43 C ATOM 1070 CG LEU A 79 2.163 -8.118 -18.714 1.00 71.54 C ATOM 1071 CD1 LEU A 79 3.330 -7.312 -19.263 1.00 14.11 C ATOM 1072 CD2 LEU A 79 2.637 -9.079 -17.633 1.00 43.34 C ATOM 0 H LEU A 79 -1.406 -6.258 -18.185 1.00 10.53 H new ATOM 0 HA LEU A 79 1.155 -5.449 -19.427 1.00 35.31 H new ATOM 0 HB2 LEU A 79 1.507 -6.599 -17.359 1.00 2.43 H new ATOM 0 HB3 LEU A 79 0.290 -7.803 -17.731 1.00 2.43 H new ATOM 0 HG LEU A 79 1.737 -8.702 -19.530 1.00 71.54 H new ATOM 0 HD11 LEU A 79 4.092 -7.990 -19.647 1.00 14.11 H new ATOM 0 HD12 LEU A 79 2.980 -6.667 -20.068 1.00 14.11 H new ATOM 0 HD13 LEU A 79 3.756 -6.701 -18.468 1.00 14.11 H new ATOM 0 HD21 LEU A 79 3.409 -9.732 -18.040 1.00 43.34 H new ATOM 0 HD22 LEU A 79 3.045 -8.512 -16.796 1.00 43.34 H new ATOM 0 HD23 LEU A 79 1.797 -9.682 -17.288 1.00 43.34 H new ATOM 1084 N ILE A 80 0.759 -6.640 -21.547 1.00 71.45 N ATOM 1085 CA ILE A 80 0.518 -7.287 -22.831 1.00 74.32 C ATOM 1086 C ILE A 80 1.762 -8.021 -23.320 1.00 1.24 C ATOM 1087 O ILE A 80 2.889 -7.589 -23.072 1.00 73.14 O ATOM 1088 CB ILE A 80 0.082 -6.269 -23.902 1.00 24.13 C ATOM 1089 CG1 ILE A 80 -0.401 -6.994 -25.160 1.00 5.13 C ATOM 1090 CG2 ILE A 80 1.230 -5.327 -24.234 1.00 53.11 C ATOM 1091 CD1 ILE A 80 -1.502 -6.261 -25.894 1.00 23.51 C ATOM 0 H ILE A 80 1.474 -5.913 -21.568 1.00 71.45 H new ATOM 0 HA ILE A 80 -0.287 -8.005 -22.675 1.00 74.32 H new ATOM 0 HB ILE A 80 -0.745 -5.679 -23.507 1.00 24.13 H new ATOM 0 HG12 ILE A 80 0.443 -7.135 -25.835 1.00 5.13 H new ATOM 0 HG13 ILE A 80 -0.758 -7.986 -24.884 1.00 5.13 H new ATOM 0 HG21 ILE A 80 0.907 -4.613 -24.992 1.00 53.11 H new ATOM 0 HG22 ILE A 80 1.532 -4.790 -23.335 1.00 53.11 H new ATOM 0 HG23 ILE A 80 2.075 -5.902 -24.613 1.00 53.11 H new ATOM 0 HD11 ILE A 80 -1.795 -6.832 -26.775 1.00 23.51 H new ATOM 0 HD12 ILE A 80 -2.362 -6.143 -25.235 1.00 23.51 H new ATOM 0 HD13 ILE A 80 -1.143 -5.279 -26.202 1.00 23.51 H new ATOM 1103 N THR A 81 1.551 -9.133 -24.017 1.00 24.11 N ATOM 1104 CA THR A 81 2.655 -9.927 -24.541 1.00 44.03 C ATOM 1105 C THR A 81 2.402 -10.333 -25.989 1.00 13.05 C ATOM 1106 O THR A 81 1.299 -10.750 -26.342 1.00 33.52 O ATOM 1107 CB THR A 81 2.886 -11.195 -23.697 1.00 42.33 C ATOM 1108 OG1 THR A 81 3.941 -11.977 -24.267 1.00 64.22 O ATOM 1109 CG2 THR A 81 1.617 -12.029 -23.615 1.00 53.14 C ATOM 0 H THR A 81 0.625 -9.504 -24.232 1.00 24.11 H new ATOM 0 HA THR A 81 3.545 -9.300 -24.492 1.00 44.03 H new ATOM 0 HB THR A 81 3.166 -10.888 -22.689 1.00 42.33 H new ATOM 0 HG1 THR A 81 3.878 -12.899 -23.940 1.00 64.22 H new ATOM 0 HG21 THR A 81 1.805 -12.919 -23.014 1.00 53.14 H new ATOM 0 HG22 THR A 81 0.824 -11.440 -23.154 1.00 53.14 H new ATOM 0 HG23 THR A 81 1.312 -12.326 -24.618 1.00 53.14 H new ATOM 1117 N ARG A 82 3.429 -10.209 -26.822 1.00 4.41 N ATOM 1118 CA ARG A 82 3.317 -10.562 -28.232 1.00 30.52 C ATOM 1119 C ARG A 82 3.994 -11.901 -28.512 1.00 50.10 C ATOM 1120 O ARG A 82 4.971 -12.265 -27.856 1.00 40.25 O ATOM 1121 CB ARG A 82 3.939 -9.471 -29.105 1.00 25.23 C ATOM 1122 CG ARG A 82 3.102 -9.113 -30.322 1.00 22.33 C ATOM 1123 CD ARG A 82 3.761 -8.021 -31.150 1.00 23.24 C ATOM 1124 NE ARG A 82 5.011 -8.473 -31.756 1.00 53.20 N ATOM 1125 CZ ARG A 82 5.798 -7.691 -32.485 1.00 45.44 C ATOM 1126 NH1 ARG A 82 5.468 -6.424 -32.698 1.00 20.25 N ATOM 1127 NH2 ARG A 82 6.920 -8.175 -33.004 1.00 11.40 N ATOM 0 H ARG A 82 4.349 -9.866 -26.545 1.00 4.41 H new ATOM 0 HA ARG A 82 2.258 -10.651 -28.475 1.00 30.52 H new ATOM 0 HB2 ARG A 82 4.088 -8.576 -28.501 1.00 25.23 H new ATOM 0 HB3 ARG A 82 4.924 -9.800 -29.436 1.00 25.23 H new ATOM 0 HG2 ARG A 82 2.956 -10.000 -30.938 1.00 22.33 H new ATOM 0 HG3 ARG A 82 2.114 -8.782 -30.001 1.00 22.33 H new ATOM 0 HD2 ARG A 82 3.075 -7.696 -31.933 1.00 23.24 H new ATOM 0 HD3 ARG A 82 3.957 -7.155 -30.518 1.00 23.24 H new ATOM 0 HE ARG A 82 5.294 -9.442 -31.611 1.00 53.20 H new ATOM 0 HH11 ARG A 82 4.607 -6.048 -32.301 1.00 20.25 H new ATOM 0 HH12 ARG A 82 6.075 -5.826 -33.259 1.00 20.25 H new ATOM 0 HH21 ARG A 82 7.178 -9.149 -32.843 1.00 11.40 H new ATOM 0 HH22 ARG A 82 7.524 -7.573 -33.564 1.00 11.40 H new ATOM 1141 N THR A 83 3.468 -12.631 -29.490 1.00 72.25 N ATOM 1142 CA THR A 83 4.019 -13.930 -29.857 1.00 4.54 C ATOM 1143 C THR A 83 3.898 -14.922 -28.706 1.00 65.43 C ATOM 1144 O THR A 83 3.582 -14.545 -27.578 1.00 31.31 O ATOM 1145 CB THR A 83 5.499 -13.815 -30.268 1.00 24.41 C ATOM 1146 OG1 THR A 83 5.777 -12.491 -30.737 1.00 72.32 O ATOM 1147 CG2 THR A 83 5.839 -14.825 -31.354 1.00 32.32 C ATOM 0 H THR A 83 2.660 -12.345 -30.043 1.00 72.25 H new ATOM 0 HA THR A 83 3.441 -14.292 -30.707 1.00 4.54 H new ATOM 0 HB THR A 83 6.113 -14.026 -29.392 1.00 24.41 H new ATOM 0 HG1 THR A 83 6.720 -12.427 -30.994 1.00 72.32 H new ATOM 0 HG21 THR A 83 6.889 -14.725 -31.628 1.00 32.32 H new ATOM 0 HG22 THR A 83 5.655 -15.833 -30.983 1.00 32.32 H new ATOM 0 HG23 THR A 83 5.216 -14.641 -32.230 1.00 32.32 H new ATOM 1155 N VAL A 84 4.153 -16.194 -28.999 1.00 3.12 N ATOM 1156 CA VAL A 84 4.075 -17.241 -27.988 1.00 33.53 C ATOM 1157 C VAL A 84 2.667 -17.344 -27.410 1.00 44.44 C ATOM 1158 O VAL A 84 2.379 -16.793 -26.349 1.00 22.34 O ATOM 1159 CB VAL A 84 5.071 -16.990 -26.841 1.00 24.34 C ATOM 1160 CG1 VAL A 84 5.097 -18.174 -25.886 1.00 70.53 C ATOM 1161 CG2 VAL A 84 6.461 -16.711 -27.394 1.00 14.21 C ATOM 0 H VAL A 84 4.415 -16.523 -29.928 1.00 3.12 H new ATOM 0 HA VAL A 84 4.331 -18.178 -28.483 1.00 33.53 H new ATOM 0 HB VAL A 84 4.743 -16.112 -26.284 1.00 24.34 H new ATOM 0 HG11 VAL A 84 5.807 -17.978 -25.082 1.00 70.53 H new ATOM 0 HG12 VAL A 84 4.103 -18.323 -25.464 1.00 70.53 H new ATOM 0 HG13 VAL A 84 5.400 -19.071 -26.426 1.00 70.53 H new ATOM 0 HG21 VAL A 84 7.152 -16.536 -26.570 1.00 14.21 H new ATOM 0 HG22 VAL A 84 6.800 -17.568 -27.976 1.00 14.21 H new ATOM 0 HG23 VAL A 84 6.428 -15.829 -28.033 1.00 14.21 H new ATOM 1171 N GLY A 85 1.793 -18.053 -28.118 1.00 23.10 N ATOM 1172 CA GLY A 85 0.426 -18.215 -27.660 1.00 72.30 C ATOM 1173 C GLY A 85 -0.385 -16.941 -27.793 1.00 20.42 C ATOM 1174 O GLY A 85 -1.566 -16.911 -27.448 1.00 11.13 O ATOM 0 H GLY A 85 2.007 -18.518 -29.000 1.00 23.10 H new ATOM 0 HA2 GLY A 85 -0.054 -19.009 -28.232 1.00 72.30 H new ATOM 0 HA3 GLY A 85 0.431 -18.532 -26.617 1.00 72.30 H new TER 1178 GLY A 85