USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -174:sc= -3.01! (180deg=-3.12) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 34 MET CE :methyl -163:sc= -0.0526 (180deg=-0.432) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 83:sc= 1.09 USER MOD Single : A 51 GLN : amide:sc= -0.0137 X(o=-0.014,f=0.096) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-2.7) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.019 -0.923 -0.906 1.00 52.13 N ATOM 19 CA LYS A 2 5.337 -1.465 -0.600 1.00 21.32 C ATOM 20 C LYS A 2 5.800 -2.421 -1.695 1.00 21.24 C ATOM 21 O LYS A 2 6.586 -3.335 -1.442 1.00 40.34 O ATOM 22 CB LYS A 2 5.312 -2.190 0.748 1.00 63.12 C ATOM 23 CG LYS A 2 4.222 -3.243 0.852 1.00 4.34 C ATOM 24 CD LYS A 2 4.252 -3.945 2.200 1.00 44.43 C ATOM 25 CE LYS A 2 3.790 -5.389 2.086 1.00 21.21 C ATOM 26 NZ LYS A 2 3.313 -5.923 3.392 1.00 71.23 N ATOM 0 HA LYS A 2 6.041 -0.634 -0.546 1.00 21.32 H new ATOM 0 HB2 LYS A 2 6.280 -2.663 0.915 1.00 63.12 H new ATOM 0 HB3 LYS A 2 5.174 -1.457 1.543 1.00 63.12 H new ATOM 0 HG2 LYS A 2 3.248 -2.776 0.706 1.00 4.34 H new ATOM 0 HG3 LYS A 2 4.346 -3.977 0.056 1.00 4.34 H new ATOM 0 HD2 LYS A 2 5.264 -3.916 2.604 1.00 44.43 H new ATOM 0 HD3 LYS A 2 3.613 -3.412 2.904 1.00 44.43 H new ATOM 0 HE2 LYS A 2 2.988 -5.457 1.351 1.00 21.21 H new ATOM 0 HE3 LYS A 2 4.611 -6.005 1.720 1.00 21.21 H new ATOM 0 HZ1 LYS A 2 3.007 -6.910 3.273 1.00 71.23 H new ATOM 0 HZ2 LYS A 2 4.086 -5.882 4.087 1.00 71.23 H new ATOM 0 HZ3 LYS A 2 2.513 -5.351 3.730 1.00 71.23 H new ATOM 40 N ARG A 3 5.309 -2.204 -2.910 1.00 42.33 N ATOM 41 CA ARG A 3 5.673 -3.046 -4.043 1.00 63.02 C ATOM 42 C ARG A 3 5.820 -2.214 -5.314 1.00 61.20 C ATOM 43 O ARG A 3 5.361 -1.074 -5.379 1.00 15.13 O ATOM 44 CB ARG A 3 4.622 -4.137 -4.254 1.00 13.03 C ATOM 45 CG ARG A 3 3.270 -3.602 -4.697 1.00 34.34 C ATOM 46 CD ARG A 3 2.255 -3.648 -3.565 1.00 52.50 C ATOM 47 NE ARG A 3 0.978 -3.052 -3.951 1.00 22.24 N ATOM 48 CZ ARG A 3 0.100 -3.649 -4.749 1.00 45.14 C ATOM 49 NH1 ARG A 3 0.360 -4.851 -5.244 1.00 71.32 N ATOM 50 NH2 ARG A 3 -1.040 -3.043 -5.054 1.00 41.14 N ATOM 0 H ARG A 3 4.658 -1.452 -3.135 1.00 42.33 H new ATOM 0 HA ARG A 3 6.633 -3.513 -3.822 1.00 63.02 H new ATOM 0 HB2 ARG A 3 4.987 -4.842 -5.001 1.00 13.03 H new ATOM 0 HB3 ARG A 3 4.497 -4.694 -3.325 1.00 13.03 H new ATOM 0 HG2 ARG A 3 3.380 -2.576 -5.047 1.00 34.34 H new ATOM 0 HG3 ARG A 3 2.904 -4.188 -5.540 1.00 34.34 H new ATOM 0 HD2 ARG A 3 2.095 -4.683 -3.263 1.00 52.50 H new ATOM 0 HD3 ARG A 3 2.654 -3.121 -2.698 1.00 52.50 H new ATOM 0 HE ARG A 3 0.748 -2.127 -3.588 1.00 22.24 H new ATOM 0 HH11 ARG A 3 1.236 -5.319 -5.012 1.00 71.32 H new ATOM 0 HH12 ARG A 3 -0.316 -5.307 -5.857 1.00 71.32 H new ATOM 0 HH21 ARG A 3 -1.243 -2.118 -4.676 1.00 41.14 H new ATOM 0 HH22 ARG A 3 -1.714 -3.502 -5.667 1.00 41.14 H new ATOM 64 N PHE A 4 6.464 -2.793 -6.322 1.00 41.44 N ATOM 65 CA PHE A 4 6.673 -2.105 -7.591 1.00 41.50 C ATOM 66 C PHE A 4 6.363 -3.026 -8.767 1.00 53.11 C ATOM 67 O PHE A 4 6.993 -4.070 -8.935 1.00 30.14 O ATOM 68 CB PHE A 4 8.114 -1.600 -7.690 1.00 42.05 C ATOM 69 CG PHE A 4 8.217 -0.155 -8.089 1.00 24.44 C ATOM 70 CD1 PHE A 4 7.514 0.819 -7.399 1.00 31.13 C ATOM 71 CD2 PHE A 4 9.018 0.228 -9.152 1.00 41.41 C ATOM 72 CE1 PHE A 4 7.607 2.149 -7.764 1.00 34.34 C ATOM 73 CE2 PHE A 4 9.115 1.557 -9.521 1.00 61.24 C ATOM 74 CZ PHE A 4 8.409 2.518 -8.825 1.00 40.34 C ATOM 0 H PHE A 4 6.850 -3.736 -6.285 1.00 41.44 H new ATOM 0 HA PHE A 4 5.993 -1.254 -7.630 1.00 41.50 H new ATOM 0 HB2 PHE A 4 8.606 -1.739 -6.727 1.00 42.05 H new ATOM 0 HB3 PHE A 4 8.655 -2.208 -8.415 1.00 42.05 H new ATOM 0 HD1 PHE A 4 6.886 0.536 -6.567 1.00 31.13 H new ATOM 0 HD2 PHE A 4 9.573 -0.520 -9.699 1.00 41.41 H new ATOM 0 HE1 PHE A 4 7.053 2.899 -7.219 1.00 34.34 H new ATOM 0 HE2 PHE A 4 9.742 1.843 -10.352 1.00 61.24 H new ATOM 0 HZ PHE A 4 8.484 3.557 -9.110 1.00 40.34 H new ATOM 84 N ASP A 5 5.387 -2.632 -9.578 1.00 1.21 N ATOM 85 CA ASP A 5 4.992 -3.421 -10.739 1.00 2.10 C ATOM 86 C ASP A 5 5.802 -3.022 -11.968 1.00 42.44 C ATOM 87 O ASP A 5 5.541 -1.991 -12.589 1.00 54.55 O ATOM 88 CB ASP A 5 3.499 -3.245 -11.018 1.00 34.23 C ATOM 89 CG ASP A 5 2.730 -4.546 -10.897 1.00 62.43 C ATOM 90 OD1 ASP A 5 3.184 -5.559 -11.471 1.00 32.12 O ATOM 91 OD2 ASP A 5 1.676 -4.552 -10.229 1.00 34.51 O ATOM 0 H ASP A 5 4.855 -1.771 -9.453 1.00 1.21 H new ATOM 0 HA ASP A 5 5.191 -4.470 -10.519 1.00 2.10 H new ATOM 0 HB2 ASP A 5 3.086 -2.516 -10.321 1.00 34.23 H new ATOM 0 HB3 ASP A 5 3.365 -2.839 -12.021 1.00 34.23 H new ATOM 96 N LEU A 6 6.787 -3.843 -12.314 1.00 60.41 N ATOM 97 CA LEU A 6 7.637 -3.576 -13.469 1.00 51.22 C ATOM 98 C LEU A 6 7.199 -4.407 -14.671 1.00 43.53 C ATOM 99 O LEU A 6 7.861 -4.411 -15.709 1.00 65.31 O ATOM 100 CB LEU A 6 9.099 -3.876 -13.132 1.00 75.02 C ATOM 101 CG LEU A 6 9.818 -2.833 -12.276 1.00 71.02 C ATOM 102 CD1 LEU A 6 9.724 -1.458 -12.919 1.00 63.13 C ATOM 103 CD2 LEU A 6 9.239 -2.806 -10.869 1.00 75.33 C ATOM 0 H LEU A 6 7.017 -4.700 -11.811 1.00 60.41 H new ATOM 0 HA LEU A 6 7.539 -2.521 -13.725 1.00 51.22 H new ATOM 0 HB2 LEU A 6 9.142 -4.834 -12.614 1.00 75.02 H new ATOM 0 HB3 LEU A 6 9.650 -3.993 -14.065 1.00 75.02 H new ATOM 0 HG LEU A 6 10.870 -3.109 -12.209 1.00 71.02 H new ATOM 0 HD11 LEU A 6 10.241 -0.729 -12.296 1.00 63.13 H new ATOM 0 HD12 LEU A 6 10.187 -1.485 -13.906 1.00 63.13 H new ATOM 0 HD13 LEU A 6 8.676 -1.173 -13.017 1.00 63.13 H new ATOM 0 HD21 LEU A 6 9.763 -2.058 -10.274 1.00 75.33 H new ATOM 0 HD22 LEU A 6 8.179 -2.555 -10.916 1.00 75.33 H new ATOM 0 HD23 LEU A 6 9.359 -3.786 -10.407 1.00 75.33 H new ATOM 115 N ARG A 7 6.079 -5.106 -14.524 1.00 60.22 N ATOM 116 CA ARG A 7 5.552 -5.940 -15.598 1.00 43.22 C ATOM 117 C ARG A 7 5.478 -5.158 -16.907 1.00 22.15 C ATOM 118 O ARG A 7 6.102 -5.513 -17.907 1.00 24.24 O ATOM 119 CB ARG A 7 4.165 -6.469 -15.228 1.00 43.25 C ATOM 120 CG ARG A 7 4.119 -7.976 -15.039 1.00 71.24 C ATOM 121 CD ARG A 7 2.905 -8.399 -14.227 1.00 54.35 C ATOM 122 NE ARG A 7 1.995 -9.240 -15.000 1.00 61.34 N ATOM 123 CZ ARG A 7 1.128 -8.764 -15.887 1.00 63.33 C ATOM 124 NH1 ARG A 7 1.054 -7.460 -16.112 1.00 40.24 N ATOM 125 NH2 ARG A 7 0.334 -9.594 -16.552 1.00 12.14 N ATOM 0 H ARG A 7 5.519 -5.112 -13.672 1.00 60.22 H new ATOM 0 HA ARG A 7 6.230 -6.783 -15.736 1.00 43.22 H new ATOM 0 HB2 ARG A 7 3.834 -5.986 -14.309 1.00 43.25 H new ATOM 0 HB3 ARG A 7 3.458 -6.187 -16.008 1.00 43.25 H new ATOM 0 HG2 ARG A 7 4.095 -8.465 -16.013 1.00 71.24 H new ATOM 0 HG3 ARG A 7 5.028 -8.309 -14.537 1.00 71.24 H new ATOM 0 HD2 ARG A 7 3.233 -8.940 -13.340 1.00 54.35 H new ATOM 0 HD3 ARG A 7 2.374 -7.512 -13.881 1.00 54.35 H new ATOM 0 HE ARG A 7 2.027 -10.249 -14.851 1.00 61.34 H new ATOM 0 HH11 ARG A 7 1.664 -6.819 -15.604 1.00 40.24 H new ATOM 0 HH12 ARG A 7 0.388 -7.097 -16.794 1.00 40.24 H new ATOM 0 HH21 ARG A 7 0.389 -10.598 -16.382 1.00 12.14 H new ATOM 0 HH22 ARG A 7 -0.331 -9.228 -17.233 1.00 12.14 H new ATOM 139 N PRO A 8 4.697 -4.068 -16.901 1.00 74.15 N ATOM 140 CA PRO A 8 4.522 -3.214 -18.080 1.00 2.43 C ATOM 141 C PRO A 8 5.784 -2.427 -18.417 1.00 62.25 C ATOM 142 O PRO A 8 5.866 -1.784 -19.465 1.00 14.22 O ATOM 143 CB PRO A 8 3.395 -2.264 -17.666 1.00 22.04 C ATOM 144 CG PRO A 8 3.464 -2.221 -16.178 1.00 52.20 C ATOM 145 CD PRO A 8 3.923 -3.585 -15.745 1.00 24.51 C ATOM 0 HA PRO A 8 4.301 -3.795 -18.975 1.00 2.43 H new ATOM 0 HB2 PRO A 8 3.534 -1.273 -18.098 1.00 22.04 H new ATOM 0 HB3 PRO A 8 2.426 -2.627 -18.007 1.00 22.04 H new ATOM 0 HG2 PRO A 8 4.158 -1.451 -15.842 1.00 52.20 H new ATOM 0 HG3 PRO A 8 2.491 -1.982 -15.749 1.00 52.20 H new ATOM 0 HD2 PRO A 8 4.535 -3.536 -14.844 1.00 24.51 H new ATOM 0 HD3 PRO A 8 3.081 -4.241 -15.523 1.00 24.51 H new ATOM 153 N LEU A 9 6.767 -2.483 -17.525 1.00 51.03 N ATOM 154 CA LEU A 9 8.026 -1.776 -17.729 1.00 45.13 C ATOM 155 C LEU A 9 8.999 -2.620 -18.546 1.00 71.45 C ATOM 156 O LEU A 9 9.166 -3.814 -18.294 1.00 53.11 O ATOM 157 CB LEU A 9 8.655 -1.414 -16.382 1.00 72.13 C ATOM 158 CG LEU A 9 8.543 0.052 -15.962 1.00 31.44 C ATOM 159 CD1 LEU A 9 7.592 0.198 -14.784 1.00 22.34 C ATOM 160 CD2 LEU A 9 9.914 0.613 -15.615 1.00 42.34 C ATOM 0 H LEU A 9 6.716 -3.011 -16.654 1.00 51.03 H new ATOM 0 HA LEU A 9 7.814 -0.861 -18.282 1.00 45.13 H new ATOM 0 HB2 LEU A 9 8.192 -2.029 -15.610 1.00 72.13 H new ATOM 0 HB3 LEU A 9 9.711 -1.683 -16.413 1.00 72.13 H new ATOM 0 HG LEU A 9 8.141 0.621 -16.800 1.00 31.44 H new ATOM 0 HD11 LEU A 9 7.525 1.248 -14.499 1.00 22.34 H new ATOM 0 HD12 LEU A 9 6.604 -0.165 -15.067 1.00 22.34 H new ATOM 0 HD13 LEU A 9 7.965 -0.384 -13.941 1.00 22.34 H new ATOM 0 HD21 LEU A 9 9.815 1.657 -15.318 1.00 42.34 H new ATOM 0 HD22 LEU A 9 10.344 0.041 -14.793 1.00 42.34 H new ATOM 0 HD23 LEU A 9 10.567 0.543 -16.485 1.00 42.34 H new ATOM 172 N LYS A 10 9.641 -1.993 -19.526 1.00 54.31 N ATOM 173 CA LYS A 10 10.600 -2.684 -20.379 1.00 72.22 C ATOM 174 C LYS A 10 11.870 -3.023 -19.606 1.00 21.41 C ATOM 175 O LYS A 10 12.157 -2.423 -18.571 1.00 12.22 O ATOM 176 CB LYS A 10 10.945 -1.822 -21.596 1.00 25.43 C ATOM 177 CG LYS A 10 11.822 -0.627 -21.265 1.00 13.31 C ATOM 178 CD LYS A 10 12.033 0.263 -22.479 1.00 33.24 C ATOM 179 CE LYS A 10 10.997 1.375 -22.542 1.00 32.33 C ATOM 180 NZ LYS A 10 11.043 2.103 -23.840 1.00 4.23 N ATOM 0 H LYS A 10 9.514 -1.006 -19.749 1.00 54.31 H new ATOM 0 HA LYS A 10 10.143 -3.614 -20.718 1.00 72.22 H new ATOM 0 HB2 LYS A 10 11.452 -2.440 -22.337 1.00 25.43 H new ATOM 0 HB3 LYS A 10 10.021 -1.469 -22.054 1.00 25.43 H new ATOM 0 HG2 LYS A 10 11.363 -0.048 -20.464 1.00 13.31 H new ATOM 0 HG3 LYS A 10 12.787 -0.974 -20.895 1.00 13.31 H new ATOM 0 HD2 LYS A 10 13.032 0.697 -22.444 1.00 33.24 H new ATOM 0 HD3 LYS A 10 11.978 -0.339 -23.386 1.00 33.24 H new ATOM 0 HE2 LYS A 10 10.002 0.953 -22.397 1.00 32.33 H new ATOM 0 HE3 LYS A 10 11.168 2.077 -21.726 1.00 32.33 H new ATOM 0 HZ1 LYS A 10 10.322 2.853 -23.843 1.00 4.23 H new ATOM 0 HZ2 LYS A 10 11.984 2.527 -23.967 1.00 4.23 H new ATOM 0 HZ3 LYS A 10 10.855 1.438 -24.618 1.00 4.23 H new ATOM 194 N ALA A 11 12.628 -3.988 -20.116 1.00 61.51 N ATOM 195 CA ALA A 11 13.869 -4.404 -19.475 1.00 63.50 C ATOM 196 C ALA A 11 14.944 -3.331 -19.610 1.00 14.42 C ATOM 197 O ALA A 11 14.986 -2.602 -20.600 1.00 52.11 O ATOM 198 CB ALA A 11 14.356 -5.718 -20.069 1.00 52.03 C ATOM 0 H ALA A 11 12.404 -4.496 -20.971 1.00 61.51 H new ATOM 0 HA ALA A 11 13.669 -4.549 -18.413 1.00 63.50 H new ATOM 0 HB1 ALA A 11 15.284 -6.016 -19.581 1.00 52.03 H new ATOM 0 HB2 ALA A 11 13.601 -6.489 -19.915 1.00 52.03 H new ATOM 0 HB3 ALA A 11 14.533 -5.591 -21.137 1.00 52.03 H new ATOM 204 N GLY A 12 15.811 -3.238 -18.606 1.00 72.00 N ATOM 205 CA GLY A 12 16.873 -2.249 -18.632 1.00 71.52 C ATOM 206 C GLY A 12 16.566 -1.046 -17.764 1.00 11.43 C ATOM 207 O GLY A 12 17.439 -0.545 -17.054 1.00 20.41 O ATOM 0 H GLY A 12 15.797 -3.830 -17.775 1.00 72.00 H new ATOM 0 HA2 GLY A 12 17.802 -2.709 -18.295 1.00 71.52 H new ATOM 0 HA3 GLY A 12 17.034 -1.921 -19.659 1.00 71.52 H new ATOM 211 N ILE A 13 15.323 -0.578 -17.821 1.00 24.43 N ATOM 212 CA ILE A 13 14.905 0.575 -17.034 1.00 34.35 C ATOM 213 C ILE A 13 14.188 0.140 -15.760 1.00 31.32 C ATOM 214 O ILE A 13 14.183 0.859 -14.761 1.00 11.23 O ATOM 215 CB ILE A 13 13.976 1.500 -17.841 1.00 53.32 C ATOM 216 CG1 ILE A 13 14.596 1.819 -19.203 1.00 71.02 C ATOM 217 CG2 ILE A 13 13.699 2.780 -17.066 1.00 44.25 C ATOM 218 CD1 ILE A 13 13.698 2.646 -20.097 1.00 64.53 C ATOM 0 H ILE A 13 14.589 -0.980 -18.404 1.00 24.43 H new ATOM 0 HA ILE A 13 15.810 1.122 -16.771 1.00 34.35 H new ATOM 0 HB ILE A 13 13.029 0.986 -18.005 1.00 53.32 H new ATOM 0 HG12 ILE A 13 15.534 2.353 -19.050 1.00 71.02 H new ATOM 0 HG13 ILE A 13 14.840 0.885 -19.710 1.00 71.02 H new ATOM 0 HG21 ILE A 13 13.041 3.424 -17.650 1.00 44.25 H new ATOM 0 HG22 ILE A 13 13.220 2.535 -16.118 1.00 44.25 H new ATOM 0 HG23 ILE A 13 14.638 3.300 -16.874 1.00 44.25 H new ATOM 0 HD11 ILE A 13 14.202 2.834 -21.045 1.00 64.53 H new ATOM 0 HD12 ILE A 13 12.770 2.105 -20.280 1.00 64.53 H new ATOM 0 HD13 ILE A 13 13.475 3.595 -19.610 1.00 64.53 H new ATOM 230 N PHE A 14 13.584 -1.044 -15.802 1.00 5.44 N ATOM 231 CA PHE A 14 12.865 -1.576 -14.650 1.00 51.04 C ATOM 232 C PHE A 14 13.802 -1.758 -13.460 1.00 11.21 C ATOM 233 O PHE A 14 13.385 -1.650 -12.307 1.00 41.22 O ATOM 234 CB PHE A 14 12.208 -2.912 -15.006 1.00 3.44 C ATOM 235 CG PHE A 14 13.153 -4.078 -14.948 1.00 51.13 C ATOM 236 CD1 PHE A 14 14.257 -4.134 -15.783 1.00 43.41 C ATOM 237 CD2 PHE A 14 12.936 -5.119 -14.060 1.00 0.10 C ATOM 238 CE1 PHE A 14 15.129 -5.205 -15.733 1.00 32.42 C ATOM 239 CE2 PHE A 14 13.804 -6.193 -14.005 1.00 2.12 C ATOM 240 CZ PHE A 14 14.901 -6.237 -14.843 1.00 42.20 C ATOM 0 H PHE A 14 13.578 -1.652 -16.621 1.00 5.44 H new ATOM 0 HA PHE A 14 12.091 -0.860 -14.373 1.00 51.04 H new ATOM 0 HB2 PHE A 14 11.378 -3.093 -14.323 1.00 3.44 H new ATOM 0 HB3 PHE A 14 11.787 -2.845 -16.009 1.00 3.44 H new ATOM 0 HD1 PHE A 14 14.438 -3.331 -16.482 1.00 43.41 H new ATOM 0 HD2 PHE A 14 12.079 -5.091 -13.403 1.00 0.10 H new ATOM 0 HE1 PHE A 14 15.987 -5.235 -16.388 1.00 32.42 H new ATOM 0 HE2 PHE A 14 13.625 -6.997 -13.307 1.00 2.12 H new ATOM 0 HZ PHE A 14 15.579 -7.076 -14.803 1.00 42.20 H new ATOM 250 N GLU A 15 15.070 -2.035 -13.749 1.00 14.00 N ATOM 251 CA GLU A 15 16.065 -2.233 -12.702 1.00 63.34 C ATOM 252 C GLU A 15 16.561 -0.895 -12.163 1.00 2.15 C ATOM 253 O GLU A 15 17.075 -0.816 -11.047 1.00 4.23 O ATOM 254 CB GLU A 15 17.245 -3.048 -13.237 1.00 74.43 C ATOM 255 CG GLU A 15 18.420 -3.120 -12.278 1.00 3.14 C ATOM 256 CD GLU A 15 19.568 -2.220 -12.693 1.00 12.33 C ATOM 257 OE1 GLU A 15 20.153 -2.461 -13.769 1.00 75.02 O ATOM 258 OE2 GLU A 15 19.881 -1.273 -11.940 1.00 74.21 O ATOM 0 H GLU A 15 15.432 -2.127 -14.698 1.00 14.00 H new ATOM 0 HA GLU A 15 15.593 -2.781 -11.887 1.00 63.34 H new ATOM 0 HB2 GLU A 15 16.906 -4.060 -13.459 1.00 74.43 H new ATOM 0 HB3 GLU A 15 17.581 -2.611 -14.177 1.00 74.43 H new ATOM 0 HG2 GLU A 15 18.086 -2.840 -11.279 1.00 3.14 H new ATOM 0 HG3 GLU A 15 18.773 -4.149 -12.219 1.00 3.14 H new ATOM 265 N ARG A 16 16.403 0.154 -12.963 1.00 3.32 N ATOM 266 CA ARG A 16 16.836 1.489 -12.567 1.00 42.01 C ATOM 267 C ARG A 16 15.784 2.165 -11.693 1.00 51.01 C ATOM 268 O ARG A 16 16.109 2.794 -10.685 1.00 42.44 O ATOM 269 CB ARG A 16 17.114 2.346 -13.804 1.00 24.44 C ATOM 270 CG ARG A 16 18.589 2.444 -14.157 1.00 64.44 C ATOM 271 CD ARG A 16 18.798 2.519 -15.662 1.00 15.21 C ATOM 272 NE ARG A 16 19.390 3.790 -16.069 1.00 44.22 N ATOM 273 CZ ARG A 16 19.385 4.236 -17.320 1.00 50.24 C ATOM 274 NH1 ARG A 16 18.820 3.518 -18.281 1.00 41.13 N ATOM 275 NH2 ARG A 16 19.945 5.403 -17.613 1.00 10.24 N ATOM 0 H ARG A 16 15.978 0.106 -13.889 1.00 3.32 H new ATOM 0 HA ARG A 16 17.754 1.389 -11.988 1.00 42.01 H new ATOM 0 HB2 ARG A 16 16.573 1.930 -14.653 1.00 24.44 H new ATOM 0 HB3 ARG A 16 16.722 3.349 -13.637 1.00 24.44 H new ATOM 0 HG2 ARG A 16 19.019 3.327 -13.684 1.00 64.44 H new ATOM 0 HG3 ARG A 16 19.118 1.579 -13.758 1.00 64.44 H new ATOM 0 HD2 ARG A 16 19.443 1.700 -15.980 1.00 15.21 H new ATOM 0 HD3 ARG A 16 17.842 2.386 -16.168 1.00 15.21 H new ATOM 0 HE ARG A 16 19.832 4.367 -15.353 1.00 44.22 H new ATOM 0 HH11 ARG A 16 18.388 2.621 -18.060 1.00 41.13 H new ATOM 0 HH12 ARG A 16 18.818 3.863 -19.241 1.00 41.13 H new ATOM 0 HH21 ARG A 16 20.380 5.959 -16.877 1.00 10.24 H new ATOM 0 HH22 ARG A 16 19.940 5.744 -18.574 1.00 10.24 H new ATOM 289 N LEU A 17 14.522 2.031 -12.086 1.00 12.34 N ATOM 290 CA LEU A 17 13.421 2.629 -11.339 1.00 12.45 C ATOM 291 C LEU A 17 13.233 1.933 -9.995 1.00 35.42 C ATOM 292 O LEU A 17 12.774 2.541 -9.029 1.00 13.23 O ATOM 293 CB LEU A 17 12.127 2.554 -12.151 1.00 32.22 C ATOM 294 CG LEU A 17 11.525 3.892 -12.581 1.00 42.11 C ATOM 295 CD1 LEU A 17 11.232 4.760 -11.367 1.00 42.44 C ATOM 296 CD2 LEU A 17 12.460 4.613 -13.542 1.00 32.33 C ATOM 0 H LEU A 17 14.236 1.514 -12.917 1.00 12.34 H new ATOM 0 HA LEU A 17 13.666 3.675 -11.154 1.00 12.45 H new ATOM 0 HB2 LEU A 17 12.317 1.960 -13.045 1.00 32.22 H new ATOM 0 HB3 LEU A 17 11.383 2.016 -11.563 1.00 32.22 H new ATOM 0 HG LEU A 17 10.585 3.697 -13.098 1.00 42.11 H new ATOM 0 HD11 LEU A 17 10.804 5.708 -11.692 1.00 42.44 H new ATOM 0 HD12 LEU A 17 10.525 4.247 -10.715 1.00 42.44 H new ATOM 0 HD13 LEU A 17 12.157 4.948 -10.822 1.00 42.44 H new ATOM 0 HD21 LEU A 17 12.016 5.563 -13.838 1.00 32.33 H new ATOM 0 HD22 LEU A 17 13.416 4.796 -13.051 1.00 32.33 H new ATOM 0 HD23 LEU A 17 12.619 3.996 -14.426 1.00 32.33 H new ATOM 308 N GLU A 18 13.592 0.654 -9.941 1.00 61.14 N ATOM 309 CA GLU A 18 13.464 -0.125 -8.715 1.00 54.41 C ATOM 310 C GLU A 18 14.211 0.545 -7.565 1.00 75.21 C ATOM 311 O GLU A 18 13.834 0.404 -6.402 1.00 54.42 O ATOM 312 CB GLU A 18 13.997 -1.543 -8.927 1.00 33.10 C ATOM 313 CG GLU A 18 13.119 -2.621 -8.314 1.00 33.11 C ATOM 314 CD GLU A 18 12.795 -3.735 -9.290 1.00 64.34 C ATOM 315 OE1 GLU A 18 12.243 -3.436 -10.370 1.00 14.45 O ATOM 316 OE2 GLU A 18 13.094 -4.906 -8.976 1.00 25.02 O ATOM 0 H GLU A 18 13.974 0.136 -10.732 1.00 61.14 H new ATOM 0 HA GLU A 18 12.406 -0.178 -8.457 1.00 54.41 H new ATOM 0 HB2 GLU A 18 14.094 -1.730 -9.997 1.00 33.10 H new ATOM 0 HB3 GLU A 18 14.997 -1.614 -8.499 1.00 33.10 H new ATOM 0 HG2 GLU A 18 13.621 -3.041 -7.443 1.00 33.11 H new ATOM 0 HG3 GLU A 18 12.191 -2.171 -7.961 1.00 33.11 H new ATOM 323 N GLU A 19 15.272 1.272 -7.900 1.00 53.11 N ATOM 324 CA GLU A 19 16.072 1.962 -6.895 1.00 63.22 C ATOM 325 C GLU A 19 15.402 3.264 -6.466 1.00 24.23 C ATOM 326 O GLU A 19 15.613 3.746 -5.352 1.00 22.21 O ATOM 327 CB GLU A 19 17.473 2.251 -7.438 1.00 4.10 C ATOM 328 CG GLU A 19 18.283 3.193 -6.562 1.00 71.32 C ATOM 329 CD GLU A 19 18.347 4.600 -7.123 1.00 11.34 C ATOM 330 OE1 GLU A 19 17.277 5.162 -7.437 1.00 13.33 O ATOM 331 OE2 GLU A 19 19.466 5.140 -7.247 1.00 62.52 O ATOM 0 H GLU A 19 15.597 1.398 -8.858 1.00 53.11 H new ATOM 0 HA GLU A 19 16.154 1.312 -6.024 1.00 63.22 H new ATOM 0 HB2 GLU A 19 18.014 1.311 -7.543 1.00 4.10 H new ATOM 0 HB3 GLU A 19 17.385 2.681 -8.436 1.00 4.10 H new ATOM 0 HG2 GLU A 19 17.844 3.223 -5.565 1.00 71.32 H new ATOM 0 HG3 GLU A 19 19.295 2.803 -6.454 1.00 71.32 H new ATOM 338 N LEU A 20 14.595 3.829 -7.357 1.00 20.44 N ATOM 339 CA LEU A 20 13.894 5.076 -7.071 1.00 73.43 C ATOM 340 C LEU A 20 12.843 4.873 -5.985 1.00 35.22 C ATOM 341 O LEU A 20 12.585 5.770 -5.182 1.00 20.14 O ATOM 342 CB LEU A 20 13.233 5.614 -8.342 1.00 3.44 C ATOM 343 CG LEU A 20 13.796 6.928 -8.885 1.00 64.24 C ATOM 344 CD1 LEU A 20 14.784 6.660 -10.011 1.00 11.05 C ATOM 345 CD2 LEU A 20 12.671 7.832 -9.365 1.00 52.54 C ATOM 0 H LEU A 20 14.410 3.444 -8.283 1.00 20.44 H new ATOM 0 HA LEU A 20 14.624 5.801 -6.713 1.00 73.43 H new ATOM 0 HB2 LEU A 20 13.318 4.856 -9.121 1.00 3.44 H new ATOM 0 HB3 LEU A 20 12.170 5.751 -8.145 1.00 3.44 H new ATOM 0 HG LEU A 20 14.324 7.436 -8.078 1.00 64.24 H new ATOM 0 HD11 LEU A 20 15.175 7.606 -10.385 1.00 11.05 H new ATOM 0 HD12 LEU A 20 15.607 6.051 -9.636 1.00 11.05 H new ATOM 0 HD13 LEU A 20 14.280 6.131 -10.819 1.00 11.05 H new ATOM 0 HD21 LEU A 20 13.090 8.762 -9.748 1.00 52.54 H new ATOM 0 HD22 LEU A 20 12.115 7.331 -10.157 1.00 52.54 H new ATOM 0 HD23 LEU A 20 12.001 8.051 -8.534 1.00 52.54 H new ATOM 357 N ILE A 21 12.240 3.688 -5.965 1.00 5.50 N ATOM 358 CA ILE A 21 11.220 3.367 -4.975 1.00 1.31 C ATOM 359 C ILE A 21 11.844 2.784 -3.712 1.00 2.14 C ATOM 360 O ILE A 21 11.356 3.011 -2.605 1.00 73.22 O ATOM 361 CB ILE A 21 10.189 2.368 -5.533 1.00 0.53 C ATOM 362 CG1 ILE A 21 9.080 2.122 -4.508 1.00 72.52 C ATOM 363 CG2 ILE A 21 10.869 1.061 -5.911 1.00 10.11 C ATOM 364 CD1 ILE A 21 8.252 3.351 -4.205 1.00 43.03 C ATOM 0 H ILE A 21 12.441 2.935 -6.623 1.00 5.50 H new ATOM 0 HA ILE A 21 10.714 4.300 -4.729 1.00 1.31 H new ATOM 0 HB ILE A 21 9.740 2.793 -6.431 1.00 0.53 H new ATOM 0 HG12 ILE A 21 8.424 1.334 -4.877 1.00 72.52 H new ATOM 0 HG13 ILE A 21 9.526 1.758 -3.583 1.00 72.52 H new ATOM 0 HG21 ILE A 21 10.127 0.365 -6.304 1.00 10.11 H new ATOM 0 HG22 ILE A 21 11.626 1.252 -6.671 1.00 10.11 H new ATOM 0 HG23 ILE A 21 11.341 0.628 -5.029 1.00 10.11 H new ATOM 0 HD11 ILE A 21 7.486 3.102 -3.471 1.00 43.03 H new ATOM 0 HD12 ILE A 21 8.896 4.134 -3.805 1.00 43.03 H new ATOM 0 HD13 ILE A 21 7.776 3.704 -5.120 1.00 43.03 H new ATOM 376 N GLU A 22 12.928 2.034 -3.885 1.00 74.44 N ATOM 377 CA GLU A 22 13.619 1.419 -2.758 1.00 60.13 C ATOM 378 C GLU A 22 14.020 2.470 -1.727 1.00 61.02 C ATOM 379 O GLU A 22 14.166 2.170 -0.542 1.00 51.11 O ATOM 380 CB GLU A 22 14.859 0.664 -3.242 1.00 50.12 C ATOM 381 CG GLU A 22 15.096 -0.648 -2.513 1.00 52.14 C ATOM 382 CD GLU A 22 15.284 -1.816 -3.462 1.00 32.25 C ATOM 383 OE1 GLU A 22 15.781 -1.593 -4.585 1.00 71.34 O ATOM 384 OE2 GLU A 22 14.934 -2.953 -3.080 1.00 40.44 O ATOM 0 H GLU A 22 13.346 1.838 -4.794 1.00 74.44 H new ATOM 0 HA GLU A 22 12.935 0.714 -2.286 1.00 60.13 H new ATOM 0 HB2 GLU A 22 14.759 0.464 -4.309 1.00 50.12 H new ATOM 0 HB3 GLU A 22 15.734 1.302 -3.118 1.00 50.12 H new ATOM 0 HG2 GLU A 22 15.978 -0.553 -1.880 1.00 52.14 H new ATOM 0 HG3 GLU A 22 14.251 -0.852 -1.855 1.00 52.14 H new ATOM 391 N LYS A 23 14.198 3.704 -2.187 1.00 73.22 N ATOM 392 CA LYS A 23 14.581 4.801 -1.307 1.00 42.21 C ATOM 393 C LYS A 23 13.476 5.103 -0.300 1.00 72.13 C ATOM 394 O LYS A 23 13.749 5.440 0.851 1.00 14.31 O ATOM 395 CB LYS A 23 14.894 6.055 -2.128 1.00 24.55 C ATOM 396 CG LYS A 23 16.381 6.328 -2.278 1.00 30.45 C ATOM 397 CD LYS A 23 16.776 7.640 -1.621 1.00 51.04 C ATOM 398 CE LYS A 23 18.283 7.844 -1.647 1.00 12.53 C ATOM 399 NZ LYS A 23 18.963 7.091 -0.557 1.00 62.23 N ATOM 0 H LYS A 23 14.083 3.969 -3.165 1.00 73.22 H new ATOM 0 HA LYS A 23 15.474 4.499 -0.760 1.00 42.21 H new ATOM 0 HB2 LYS A 23 14.450 5.951 -3.118 1.00 24.55 H new ATOM 0 HB3 LYS A 23 14.421 6.916 -1.656 1.00 24.55 H new ATOM 0 HG2 LYS A 23 16.949 5.511 -1.832 1.00 30.45 H new ATOM 0 HG3 LYS A 23 16.642 6.357 -3.336 1.00 30.45 H new ATOM 0 HD2 LYS A 23 16.287 8.467 -2.135 1.00 51.04 H new ATOM 0 HD3 LYS A 23 16.424 7.652 -0.590 1.00 51.04 H new ATOM 0 HE2 LYS A 23 18.677 7.522 -2.611 1.00 12.53 H new ATOM 0 HE3 LYS A 23 18.508 8.906 -1.550 1.00 12.53 H new ATOM 0 HZ1 LYS A 23 19.989 7.256 -0.609 1.00 62.23 H new ATOM 0 HZ2 LYS A 23 18.606 7.416 0.364 1.00 62.23 H new ATOM 0 HZ3 LYS A 23 18.770 6.075 -0.664 1.00 62.23 H new ATOM 413 N GLU A 24 12.228 4.978 -0.742 1.00 63.43 N ATOM 414 CA GLU A 24 11.083 5.237 0.122 1.00 73.42 C ATOM 415 C GLU A 24 10.895 4.107 1.130 1.00 24.32 C ATOM 416 O GLU A 24 10.607 4.348 2.302 1.00 4.11 O ATOM 417 CB GLU A 24 9.812 5.404 -0.715 1.00 5.44 C ATOM 418 CG GLU A 24 8.944 6.571 -0.275 1.00 11.11 C ATOM 419 CD GLU A 24 7.491 6.179 -0.090 1.00 53.43 C ATOM 420 OE1 GLU A 24 6.743 6.186 -1.091 1.00 65.30 O ATOM 421 OE2 GLU A 24 7.101 5.867 1.054 1.00 14.00 O ATOM 0 H GLU A 24 11.985 4.699 -1.693 1.00 63.43 H new ATOM 0 HA GLU A 24 11.275 6.160 0.668 1.00 73.42 H new ATOM 0 HB2 GLU A 24 10.090 5.542 -1.760 1.00 5.44 H new ATOM 0 HB3 GLU A 24 9.227 4.486 -0.660 1.00 5.44 H new ATOM 0 HG2 GLU A 24 9.330 6.973 0.662 1.00 11.11 H new ATOM 0 HG3 GLU A 24 9.010 7.368 -1.016 1.00 11.11 H new ATOM 428 N MET A 25 11.060 2.873 0.665 1.00 65.12 N ATOM 429 CA MET A 25 10.910 1.705 1.526 1.00 42.43 C ATOM 430 C MET A 25 11.766 1.842 2.781 1.00 20.20 C ATOM 431 O MET A 25 12.877 2.368 2.730 1.00 25.43 O ATOM 432 CB MET A 25 11.295 0.433 0.768 1.00 50.42 C ATOM 433 CG MET A 25 10.483 0.211 -0.498 1.00 2.10 C ATOM 434 SD MET A 25 8.714 0.082 -0.175 1.00 20.22 S ATOM 435 CE MET A 25 8.694 -1.170 1.106 1.00 65.43 C ATOM 0 H MET A 25 11.298 2.656 -0.303 1.00 65.12 H new ATOM 0 HA MET A 25 9.864 1.638 1.826 1.00 42.43 H new ATOM 0 HB2 MET A 25 12.352 0.481 0.508 1.00 50.42 H new ATOM 0 HB3 MET A 25 11.167 -0.426 1.427 1.00 50.42 H new ATOM 0 HG2 MET A 25 10.663 1.034 -1.189 1.00 2.10 H new ATOM 0 HG3 MET A 25 10.826 -0.699 -0.990 1.00 2.10 H new ATOM 0 HE1 MET A 25 7.663 -1.438 1.337 1.00 65.43 H new ATOM 0 HE2 MET A 25 9.230 -2.054 0.759 1.00 65.43 H new ATOM 0 HE3 MET A 25 9.177 -0.781 2.002 1.00 65.43 H new ATOM 445 N GLN A 26 11.240 1.365 3.905 1.00 43.41 N ATOM 446 CA GLN A 26 11.957 1.436 5.173 1.00 71.02 C ATOM 447 C GLN A 26 13.289 0.698 5.087 1.00 33.42 C ATOM 448 O GLN A 26 13.515 -0.124 4.198 1.00 11.43 O ATOM 449 CB GLN A 26 11.105 0.846 6.298 1.00 53.40 C ATOM 450 CG GLN A 26 10.530 1.893 7.238 1.00 11.43 C ATOM 451 CD GLN A 26 9.137 2.337 6.836 1.00 20.25 C ATOM 452 OE1 GLN A 26 8.159 1.620 7.051 1.00 12.41 O ATOM 453 NE2 GLN A 26 9.040 3.524 6.250 1.00 53.13 N ATOM 0 H GLN A 26 10.321 0.926 3.963 1.00 43.41 H new ATOM 0 HA GLN A 26 12.157 2.485 5.390 1.00 71.02 H new ATOM 0 HB2 GLN A 26 10.287 0.273 5.861 1.00 53.40 H new ATOM 0 HB3 GLN A 26 11.712 0.147 6.874 1.00 53.40 H new ATOM 0 HG2 GLN A 26 10.501 1.490 8.250 1.00 11.43 H new ATOM 0 HG3 GLN A 26 11.191 2.759 7.259 1.00 11.43 H new ATOM 0 HE21 GLN A 26 9.877 4.085 6.092 1.00 53.13 H new ATOM 0 HE22 GLN A 26 8.128 3.876 5.958 1.00 53.13 H new ATOM 462 N PRO A 27 14.193 0.995 6.032 1.00 13.33 N ATOM 463 CA PRO A 27 15.518 0.370 6.085 1.00 13.52 C ATOM 464 C PRO A 27 15.449 -1.102 6.476 1.00 0.11 C ATOM 465 O PRO A 27 16.462 -1.799 6.484 1.00 63.42 O ATOM 466 CB PRO A 27 16.247 1.176 7.163 1.00 42.41 C ATOM 467 CG PRO A 27 15.163 1.717 8.031 1.00 64.35 C ATOM 468 CD PRO A 27 13.991 1.965 7.122 1.00 33.54 C ATOM 0 HA PRO A 27 16.014 0.383 5.115 1.00 13.52 H new ATOM 0 HB2 PRO A 27 16.932 0.547 7.731 1.00 42.41 H new ATOM 0 HB3 PRO A 27 16.840 1.978 6.724 1.00 42.41 H new ATOM 0 HG2 PRO A 27 14.904 1.009 8.818 1.00 64.35 H new ATOM 0 HG3 PRO A 27 15.478 2.638 8.521 1.00 64.35 H new ATOM 0 HD2 PRO A 27 13.043 1.802 7.635 1.00 33.54 H new ATOM 0 HD3 PRO A 27 13.980 2.990 6.751 1.00 33.54 H new ATOM 476 N ASN A 28 14.247 -1.568 6.800 1.00 62.13 N ATOM 477 CA ASN A 28 14.047 -2.958 7.192 1.00 71.41 C ATOM 478 C ASN A 28 12.658 -3.443 6.787 1.00 63.35 C ATOM 479 O ASN A 28 12.020 -4.204 7.513 1.00 70.43 O ATOM 480 CB ASN A 28 14.234 -3.116 8.702 1.00 33.03 C ATOM 481 CG ASN A 28 14.976 -4.388 9.063 1.00 32.34 C ATOM 482 OD1 ASN A 28 15.893 -4.373 9.884 1.00 24.20 O ATOM 483 ND2 ASN A 28 14.581 -5.498 8.450 1.00 53.20 N ATOM 0 H ASN A 28 13.397 -1.004 6.799 1.00 62.13 H new ATOM 0 HA ASN A 28 14.790 -3.566 6.675 1.00 71.41 H new ATOM 0 HB2 ASN A 28 14.782 -2.257 9.089 1.00 33.03 H new ATOM 0 HB3 ASN A 28 13.258 -3.117 9.188 1.00 33.03 H new ATOM 0 HD21 ASN A 28 15.043 -6.385 8.653 1.00 53.20 H new ATOM 0 HD22 ASN A 28 13.816 -5.464 7.776 1.00 53.20 H new ATOM 490 N GLU A 29 12.198 -2.997 5.622 1.00 41.01 N ATOM 491 CA GLU A 29 10.885 -3.386 5.121 1.00 41.44 C ATOM 492 C GLU A 29 11.015 -4.282 3.892 1.00 1.14 C ATOM 493 O GLU A 29 12.093 -4.402 3.309 1.00 35.42 O ATOM 494 CB GLU A 29 10.059 -2.145 4.775 1.00 32.01 C ATOM 495 CG GLU A 29 8.919 -1.883 5.745 1.00 23.04 C ATOM 496 CD GLU A 29 7.780 -1.107 5.112 1.00 25.52 C ATOM 497 OE1 GLU A 29 8.050 -0.297 4.201 1.00 60.45 O ATOM 498 OE2 GLU A 29 6.621 -1.310 5.528 1.00 54.02 O ATOM 0 H GLU A 29 12.714 -2.367 5.008 1.00 41.01 H new ATOM 0 HA GLU A 29 10.376 -3.946 5.906 1.00 41.44 H new ATOM 0 HB2 GLU A 29 10.716 -1.275 4.756 1.00 32.01 H new ATOM 0 HB3 GLU A 29 9.651 -2.259 3.770 1.00 32.01 H new ATOM 0 HG2 GLU A 29 8.541 -2.834 6.121 1.00 23.04 H new ATOM 0 HG3 GLU A 29 9.298 -1.329 6.604 1.00 23.04 H new ATOM 505 N VAL A 30 9.909 -4.910 3.505 1.00 1.44 N ATOM 506 CA VAL A 30 9.898 -5.795 2.347 1.00 50.32 C ATOM 507 C VAL A 30 9.394 -5.068 1.105 1.00 34.21 C ATOM 508 O VAL A 30 8.484 -4.243 1.183 1.00 3.40 O ATOM 509 CB VAL A 30 9.018 -7.034 2.596 1.00 62.21 C ATOM 510 CG1 VAL A 30 8.128 -7.307 1.393 1.00 33.44 C ATOM 511 CG2 VAL A 30 9.882 -8.245 2.916 1.00 42.32 C ATOM 0 H VAL A 30 9.009 -4.822 3.977 1.00 1.44 H new ATOM 0 HA VAL A 30 10.927 -6.116 2.184 1.00 50.32 H new ATOM 0 HB VAL A 30 8.377 -6.836 3.455 1.00 62.21 H new ATOM 0 HG11 VAL A 30 7.513 -8.186 1.587 1.00 33.44 H new ATOM 0 HG12 VAL A 30 7.484 -6.446 1.214 1.00 33.44 H new ATOM 0 HG13 VAL A 30 8.748 -7.485 0.514 1.00 33.44 H new ATOM 0 HG21 VAL A 30 9.244 -9.112 3.089 1.00 42.32 H new ATOM 0 HG22 VAL A 30 10.549 -8.447 2.078 1.00 42.32 H new ATOM 0 HG23 VAL A 30 10.472 -8.045 3.810 1.00 42.32 H new ATOM 521 N ALA A 31 9.990 -5.382 -0.040 1.00 40.34 N ATOM 522 CA ALA A 31 9.600 -4.761 -1.300 1.00 14.30 C ATOM 523 C ALA A 31 9.409 -5.808 -2.392 1.00 41.53 C ATOM 524 O ALA A 31 10.352 -6.504 -2.769 1.00 44.41 O ATOM 525 CB ALA A 31 10.638 -3.733 -1.726 1.00 71.40 C ATOM 0 H ALA A 31 10.745 -6.063 -0.121 1.00 40.34 H new ATOM 0 HA ALA A 31 8.646 -4.255 -1.148 1.00 14.30 H new ATOM 0 HB1 ALA A 31 10.334 -3.278 -2.668 1.00 71.40 H new ATOM 0 HB2 ALA A 31 10.722 -2.962 -0.960 1.00 71.40 H new ATOM 0 HB3 ALA A 31 11.603 -4.223 -1.855 1.00 71.40 H new ATOM 531 N ILE A 32 8.184 -5.914 -2.896 1.00 42.11 N ATOM 532 CA ILE A 32 7.871 -6.876 -3.945 1.00 43.05 C ATOM 533 C ILE A 32 7.916 -6.222 -5.322 1.00 41.22 C ATOM 534 O ILE A 32 7.079 -5.380 -5.649 1.00 60.10 O ATOM 535 CB ILE A 32 6.483 -7.507 -3.734 1.00 75.45 C ATOM 536 CG1 ILE A 32 6.505 -8.450 -2.530 1.00 34.15 C ATOM 537 CG2 ILE A 32 6.043 -8.250 -4.987 1.00 73.41 C ATOM 538 CD1 ILE A 32 5.233 -8.415 -1.711 1.00 52.33 C ATOM 0 H ILE A 32 7.392 -5.346 -2.595 1.00 42.11 H new ATOM 0 HA ILE A 32 8.628 -7.658 -3.892 1.00 43.05 H new ATOM 0 HB ILE A 32 5.765 -6.711 -3.536 1.00 75.45 H new ATOM 0 HG12 ILE A 32 6.674 -9.468 -2.880 1.00 34.15 H new ATOM 0 HG13 ILE A 32 7.347 -8.189 -1.889 1.00 34.15 H new ATOM 0 HG21 ILE A 32 5.060 -8.691 -4.822 1.00 73.41 H new ATOM 0 HG22 ILE A 32 5.993 -7.554 -5.824 1.00 73.41 H new ATOM 0 HG23 ILE A 32 6.761 -9.039 -5.213 1.00 73.41 H new ATOM 0 HD11 ILE A 32 5.320 -9.108 -0.874 1.00 52.33 H new ATOM 0 HD12 ILE A 32 5.072 -7.406 -1.331 1.00 52.33 H new ATOM 0 HD13 ILE A 32 4.389 -8.706 -2.337 1.00 52.33 H new ATOM 550 N PHE A 33 8.898 -6.616 -6.127 1.00 12.53 N ATOM 551 CA PHE A 33 9.052 -6.068 -7.470 1.00 33.24 C ATOM 552 C PHE A 33 8.715 -7.117 -8.526 1.00 42.40 C ATOM 553 O PHE A 33 9.507 -8.020 -8.793 1.00 32.31 O ATOM 554 CB PHE A 33 10.480 -5.560 -7.676 1.00 23.44 C ATOM 555 CG PHE A 33 10.958 -4.652 -6.579 1.00 14.11 C ATOM 556 CD1 PHE A 33 10.112 -3.700 -6.033 1.00 32.04 C ATOM 557 CD2 PHE A 33 12.252 -4.750 -6.094 1.00 33.21 C ATOM 558 CE1 PHE A 33 10.549 -2.862 -5.024 1.00 32.41 C ATOM 559 CE2 PHE A 33 12.694 -3.915 -5.085 1.00 22.51 C ATOM 560 CZ PHE A 33 11.841 -2.971 -4.549 1.00 22.04 C ATOM 0 H PHE A 33 9.599 -7.312 -5.873 1.00 12.53 H new ATOM 0 HA PHE A 33 8.359 -5.234 -7.577 1.00 33.24 H new ATOM 0 HB2 PHE A 33 11.154 -6.414 -7.749 1.00 23.44 H new ATOM 0 HB3 PHE A 33 10.534 -5.029 -8.626 1.00 23.44 H new ATOM 0 HD1 PHE A 33 9.100 -3.612 -6.400 1.00 32.04 H new ATOM 0 HD2 PHE A 33 12.923 -5.487 -6.509 1.00 33.21 H new ATOM 0 HE1 PHE A 33 9.881 -2.123 -4.608 1.00 32.41 H new ATOM 0 HE2 PHE A 33 13.705 -4.001 -4.716 1.00 22.51 H new ATOM 0 HZ PHE A 33 12.184 -2.319 -3.759 1.00 22.04 H new ATOM 570 N MET A 34 7.535 -6.989 -9.123 1.00 52.52 N ATOM 571 CA MET A 34 7.093 -7.924 -10.151 1.00 23.21 C ATOM 572 C MET A 34 7.706 -7.575 -11.504 1.00 14.34 C ATOM 573 O MET A 34 7.675 -6.420 -11.930 1.00 61.22 O ATOM 574 CB MET A 34 5.567 -7.920 -10.253 1.00 32.14 C ATOM 575 CG MET A 34 4.930 -9.254 -9.895 1.00 44.54 C ATOM 576 SD MET A 34 3.138 -9.243 -10.094 1.00 63.43 S ATOM 577 CE MET A 34 2.664 -8.069 -8.828 1.00 52.54 C ATOM 0 H MET A 34 6.868 -6.247 -8.913 1.00 52.52 H new ATOM 0 HA MET A 34 7.428 -8.922 -9.867 1.00 23.21 H new ATOM 0 HB2 MET A 34 5.169 -7.148 -9.594 1.00 32.14 H new ATOM 0 HB3 MET A 34 5.280 -7.651 -11.269 1.00 32.14 H new ATOM 0 HG2 MET A 34 5.357 -10.036 -10.523 1.00 44.54 H new ATOM 0 HG3 MET A 34 5.176 -9.504 -8.863 1.00 44.54 H new ATOM 0 HE1 MET A 34 1.600 -8.172 -8.616 1.00 52.54 H new ATOM 0 HE2 MET A 34 3.235 -8.262 -7.920 1.00 52.54 H new ATOM 0 HE3 MET A 34 2.868 -7.056 -9.176 1.00 52.54 H new ATOM 587 N PHE A 35 8.261 -8.579 -12.174 1.00 3.33 N ATOM 588 CA PHE A 35 8.882 -8.377 -13.478 1.00 1.33 C ATOM 589 C PHE A 35 8.514 -9.505 -14.436 1.00 74.42 C ATOM 590 O PHE A 35 8.637 -10.683 -14.101 1.00 4.21 O ATOM 591 CB PHE A 35 10.403 -8.290 -13.334 1.00 70.33 C ATOM 592 CG PHE A 35 11.043 -9.592 -12.944 1.00 2.33 C ATOM 593 CD1 PHE A 35 10.737 -10.194 -11.734 1.00 72.23 C ATOM 594 CD2 PHE A 35 11.952 -10.212 -13.786 1.00 32.21 C ATOM 595 CE1 PHE A 35 11.324 -11.392 -11.372 1.00 11.01 C ATOM 596 CE2 PHE A 35 12.542 -11.410 -13.429 1.00 74.12 C ATOM 597 CZ PHE A 35 12.228 -12.000 -12.220 1.00 63.13 C ATOM 0 H PHE A 35 8.294 -9.541 -11.836 1.00 3.33 H new ATOM 0 HA PHE A 35 8.509 -7.439 -13.889 1.00 1.33 H new ATOM 0 HB2 PHE A 35 10.831 -7.952 -14.278 1.00 70.33 H new ATOM 0 HB3 PHE A 35 10.647 -7.536 -12.586 1.00 70.33 H new ATOM 0 HD1 PHE A 35 10.032 -9.722 -11.066 1.00 72.23 H new ATOM 0 HD2 PHE A 35 12.202 -9.754 -14.732 1.00 32.21 H new ATOM 0 HE1 PHE A 35 11.076 -11.852 -10.427 1.00 11.01 H new ATOM 0 HE2 PHE A 35 13.248 -11.884 -14.095 1.00 74.12 H new ATOM 0 HZ PHE A 35 12.689 -12.935 -11.939 1.00 63.13 H new ATOM 607 N GLU A 36 8.060 -9.136 -15.630 1.00 11.32 N ATOM 608 CA GLU A 36 7.672 -10.117 -16.636 1.00 40.03 C ATOM 609 C GLU A 36 8.654 -10.116 -17.804 1.00 42.11 C ATOM 610 O GLU A 36 8.425 -10.767 -18.823 1.00 52.15 O ATOM 611 CB GLU A 36 6.258 -9.828 -17.144 1.00 41.55 C ATOM 612 CG GLU A 36 6.159 -8.564 -17.982 1.00 42.22 C ATOM 613 CD GLU A 36 5.799 -8.849 -19.427 1.00 52.53 C ATOM 614 OE1 GLU A 36 5.028 -9.801 -19.669 1.00 64.42 O ATOM 615 OE2 GLU A 36 6.287 -8.119 -20.316 1.00 33.52 O ATOM 0 H GLU A 36 7.952 -8.165 -15.924 1.00 11.32 H new ATOM 0 HA GLU A 36 7.689 -11.103 -16.171 1.00 40.03 H new ATOM 0 HB2 GLU A 36 5.914 -10.675 -17.737 1.00 41.55 H new ATOM 0 HB3 GLU A 36 5.585 -9.742 -16.291 1.00 41.55 H new ATOM 0 HG2 GLU A 36 5.409 -7.903 -17.548 1.00 42.22 H new ATOM 0 HG3 GLU A 36 7.110 -8.033 -17.946 1.00 42.22 H new ATOM 688 N ASN A 42 19.426 -9.043 -13.459 1.00 43.03 N ATOM 689 CA ASN A 42 19.063 -7.634 -13.362 1.00 40.12 C ATOM 690 C ASN A 42 18.241 -7.369 -12.104 1.00 71.45 C ATOM 691 O ASN A 42 18.249 -6.262 -11.567 1.00 3.41 O ATOM 692 CB ASN A 42 18.275 -7.203 -14.600 1.00 54.55 C ATOM 693 CG ASN A 42 19.157 -6.560 -15.653 1.00 2.10 C ATOM 694 OD1 ASN A 42 20.125 -7.161 -16.119 1.00 24.15 O ATOM 695 ND2 ASN A 42 18.826 -5.331 -16.033 1.00 31.31 N ATOM 0 HA ASN A 42 19.982 -7.051 -13.303 1.00 40.12 H new ATOM 0 HB2 ASN A 42 17.775 -8.071 -15.030 1.00 54.55 H new ATOM 0 HB3 ASN A 42 17.496 -6.501 -14.305 1.00 54.55 H new ATOM 0 HD21 ASN A 42 19.383 -4.848 -16.738 1.00 31.31 H new ATOM 0 HD22 ASN A 42 18.015 -4.871 -15.620 1.00 31.31 H new ATOM 702 N ILE A 43 17.533 -8.394 -11.641 1.00 10.21 N ATOM 703 CA ILE A 43 16.707 -8.273 -10.446 1.00 3.41 C ATOM 704 C ILE A 43 17.533 -7.807 -9.252 1.00 25.13 C ATOM 705 O ILE A 43 17.241 -6.791 -8.621 1.00 33.22 O ATOM 706 CB ILE A 43 16.025 -9.608 -10.095 1.00 25.22 C ATOM 707 CG1 ILE A 43 14.701 -9.743 -10.848 1.00 73.24 C ATOM 708 CG2 ILE A 43 15.800 -9.709 -8.594 1.00 32.14 C ATOM 709 CD1 ILE A 43 13.665 -8.719 -10.439 1.00 25.11 C ATOM 0 H ILE A 43 17.515 -9.317 -12.075 1.00 10.21 H new ATOM 0 HA ILE A 43 15.940 -7.530 -10.666 1.00 3.41 H new ATOM 0 HB ILE A 43 16.679 -10.425 -10.400 1.00 25.22 H new ATOM 0 HG12 ILE A 43 14.890 -9.650 -11.917 1.00 73.24 H new ATOM 0 HG13 ILE A 43 14.298 -10.742 -10.681 1.00 73.24 H new ATOM 0 HG21 ILE A 43 15.317 -10.658 -8.362 1.00 32.14 H new ATOM 0 HG22 ILE A 43 16.758 -9.653 -8.078 1.00 32.14 H new ATOM 0 HG23 ILE A 43 15.163 -8.888 -8.266 1.00 32.14 H new ATOM 0 HD11 ILE A 43 12.752 -8.875 -11.014 1.00 25.11 H new ATOM 0 HD12 ILE A 43 13.447 -8.826 -9.376 1.00 25.11 H new ATOM 0 HD13 ILE A 43 14.048 -7.717 -10.632 1.00 25.11 H new ATOM 721 N PRO A 44 18.593 -8.566 -8.933 1.00 52.34 N ATOM 722 CA PRO A 44 19.485 -8.249 -7.814 1.00 64.44 C ATOM 723 C PRO A 44 20.330 -7.008 -8.080 1.00 24.12 C ATOM 724 O PRO A 44 20.771 -6.334 -7.149 1.00 5.21 O ATOM 725 CB PRO A 44 20.376 -9.490 -7.709 1.00 72.03 C ATOM 726 CG PRO A 44 20.364 -10.082 -9.076 1.00 52.14 C ATOM 727 CD PRO A 44 19.001 -9.790 -9.642 1.00 23.31 C ATOM 0 HA PRO A 44 18.932 -8.026 -6.902 1.00 64.44 H new ATOM 0 HB2 PRO A 44 21.388 -9.226 -7.401 1.00 72.03 H new ATOM 0 HB3 PRO A 44 19.991 -10.193 -6.970 1.00 72.03 H new ATOM 0 HG2 PRO A 44 21.146 -9.646 -9.697 1.00 52.14 H new ATOM 0 HG3 PRO A 44 20.549 -11.156 -9.038 1.00 52.14 H new ATOM 0 HD2 PRO A 44 19.038 -9.636 -10.720 1.00 23.31 H new ATOM 0 HD3 PRO A 44 18.306 -10.610 -9.461 1.00 23.31 H new ATOM 735 N LYS A 45 20.552 -6.711 -9.356 1.00 4.04 N ATOM 736 CA LYS A 45 21.343 -5.549 -9.745 1.00 22.42 C ATOM 737 C LYS A 45 20.694 -4.260 -9.253 1.00 51.33 C ATOM 738 O LYS A 45 21.373 -3.258 -9.029 1.00 2.02 O ATOM 739 CB LYS A 45 21.506 -5.504 -11.266 1.00 13.32 C ATOM 740 CG LYS A 45 22.874 -5.023 -11.717 1.00 60.11 C ATOM 741 CD LYS A 45 22.765 -3.848 -12.675 1.00 33.34 C ATOM 742 CE LYS A 45 24.038 -3.671 -13.488 1.00 31.54 C ATOM 743 NZ LYS A 45 24.115 -4.641 -14.615 1.00 62.22 N ATOM 0 H LYS A 45 20.195 -7.259 -10.139 1.00 4.04 H new ATOM 0 HA LYS A 45 22.326 -5.638 -9.283 1.00 22.42 H new ATOM 0 HB2 LYS A 45 21.328 -6.500 -11.672 1.00 13.32 H new ATOM 0 HB3 LYS A 45 20.743 -4.848 -11.686 1.00 13.32 H new ATOM 0 HG2 LYS A 45 23.463 -4.731 -10.847 1.00 60.11 H new ATOM 0 HG3 LYS A 45 23.406 -5.841 -12.202 1.00 60.11 H new ATOM 0 HD2 LYS A 45 21.921 -4.003 -13.348 1.00 33.34 H new ATOM 0 HD3 LYS A 45 22.562 -2.937 -12.113 1.00 33.34 H new ATOM 0 HE2 LYS A 45 24.080 -2.655 -13.880 1.00 31.54 H new ATOM 0 HE3 LYS A 45 24.904 -3.799 -12.839 1.00 31.54 H new ATOM 0 HZ1 LYS A 45 24.997 -4.488 -15.145 1.00 62.22 H new ATOM 0 HZ2 LYS A 45 24.100 -5.611 -14.240 1.00 62.22 H new ATOM 0 HZ3 LYS A 45 23.302 -4.502 -15.249 1.00 62.22 H new ATOM 757 N SER A 46 19.376 -4.292 -9.087 1.00 35.21 N ATOM 758 CA SER A 46 18.634 -3.125 -8.624 1.00 4.20 C ATOM 759 C SER A 46 18.829 -2.917 -7.125 1.00 71.21 C ATOM 760 O SER A 46 19.187 -1.827 -6.680 1.00 34.34 O ATOM 761 CB SER A 46 17.146 -3.281 -8.940 1.00 33.42 C ATOM 762 OG SER A 46 16.923 -4.370 -9.819 1.00 35.22 O ATOM 0 H SER A 46 18.799 -5.114 -9.266 1.00 35.21 H new ATOM 0 HA SER A 46 19.019 -2.250 -9.148 1.00 4.20 H new ATOM 0 HB2 SER A 46 16.589 -3.435 -8.016 1.00 33.42 H new ATOM 0 HB3 SER A 46 16.768 -2.363 -9.390 1.00 33.42 H new ATOM 0 HG SER A 46 16.894 -5.204 -9.306 1.00 35.22 H new ATOM 768 N ALA A 47 18.590 -3.972 -6.352 1.00 42.32 N ATOM 769 CA ALA A 47 18.741 -3.907 -4.904 1.00 34.02 C ATOM 770 C ALA A 47 20.177 -3.574 -4.515 1.00 61.14 C ATOM 771 O ALA A 47 20.429 -3.038 -3.437 1.00 41.41 O ATOM 772 CB ALA A 47 18.311 -5.222 -4.269 1.00 43.44 C ATOM 0 H ALA A 47 18.291 -4.881 -6.705 1.00 42.32 H new ATOM 0 HA ALA A 47 18.098 -3.109 -4.532 1.00 34.02 H new ATOM 0 HB1 ALA A 47 18.429 -5.159 -3.187 1.00 43.44 H new ATOM 0 HB2 ALA A 47 17.266 -5.418 -4.509 1.00 43.44 H new ATOM 0 HB3 ALA A 47 18.930 -6.032 -4.655 1.00 43.44 H new ATOM 778 N GLU A 48 21.115 -3.897 -5.401 1.00 13.12 N ATOM 779 CA GLU A 48 22.526 -3.633 -5.148 1.00 44.21 C ATOM 780 C GLU A 48 22.842 -2.150 -5.319 1.00 55.54 C ATOM 781 O GLU A 48 23.719 -1.608 -4.646 1.00 71.04 O ATOM 782 CB GLU A 48 23.400 -4.463 -6.091 1.00 21.24 C ATOM 783 CG GLU A 48 24.864 -4.503 -5.686 1.00 62.21 C ATOM 784 CD GLU A 48 25.701 -3.473 -6.420 1.00 74.23 C ATOM 785 OE1 GLU A 48 25.708 -3.495 -7.669 1.00 2.13 O ATOM 786 OE2 GLU A 48 26.347 -2.645 -5.745 1.00 44.04 O ATOM 0 H GLU A 48 20.923 -4.341 -6.299 1.00 13.12 H new ATOM 0 HA GLU A 48 22.743 -3.917 -4.118 1.00 44.21 H new ATOM 0 HB2 GLU A 48 23.014 -5.482 -6.128 1.00 21.24 H new ATOM 0 HB3 GLU A 48 23.321 -4.055 -7.099 1.00 21.24 H new ATOM 0 HG2 GLU A 48 24.945 -4.333 -4.612 1.00 62.21 H new ATOM 0 HG3 GLU A 48 25.264 -5.498 -5.882 1.00 62.21 H new ATOM 793 N PHE A 49 22.120 -1.498 -6.225 1.00 72.25 N ATOM 794 CA PHE A 49 22.323 -0.078 -6.487 1.00 74.04 C ATOM 795 C PHE A 49 22.194 0.736 -5.203 1.00 23.31 C ATOM 796 O PHE A 49 22.768 1.818 -5.082 1.00 0.42 O ATOM 797 CB PHE A 49 21.313 0.421 -7.523 1.00 70.53 C ATOM 798 CG PHE A 49 21.949 1.108 -8.698 1.00 31.13 C ATOM 799 CD1 PHE A 49 22.339 2.435 -8.613 1.00 35.22 C ATOM 800 CD2 PHE A 49 22.157 0.427 -9.886 1.00 65.02 C ATOM 801 CE1 PHE A 49 22.923 3.070 -9.692 1.00 61.23 C ATOM 802 CE2 PHE A 49 22.742 1.057 -10.969 1.00 20.40 C ATOM 803 CZ PHE A 49 23.126 2.380 -10.871 1.00 63.44 C ATOM 0 H PHE A 49 21.389 -1.931 -6.790 1.00 72.25 H new ATOM 0 HA PHE A 49 23.331 0.052 -6.880 1.00 74.04 H new ATOM 0 HB2 PHE A 49 20.724 -0.424 -7.881 1.00 70.53 H new ATOM 0 HB3 PHE A 49 20.620 1.110 -7.041 1.00 70.53 H new ATOM 0 HD1 PHE A 49 22.185 2.979 -7.693 1.00 35.22 H new ATOM 0 HD2 PHE A 49 21.859 -0.608 -9.967 1.00 65.02 H new ATOM 0 HE1 PHE A 49 23.221 4.105 -9.614 1.00 61.23 H new ATOM 0 HE2 PHE A 49 22.898 0.515 -11.890 1.00 20.40 H new ATOM 0 HZ PHE A 49 23.584 2.874 -11.715 1.00 63.44 H new ATOM 813 N ILE A 50 21.437 0.206 -4.248 1.00 4.53 N ATOM 814 CA ILE A 50 21.234 0.883 -2.973 1.00 32.44 C ATOM 815 C ILE A 50 22.453 0.732 -2.070 1.00 23.14 C ATOM 816 O ILE A 50 22.840 1.669 -1.372 1.00 31.24 O ATOM 817 CB ILE A 50 19.995 0.338 -2.238 1.00 34.10 C ATOM 818 CG1 ILE A 50 18.761 0.425 -3.139 1.00 41.41 C ATOM 819 CG2 ILE A 50 19.767 1.104 -0.943 1.00 60.14 C ATOM 820 CD1 ILE A 50 18.347 1.844 -3.460 1.00 13.31 C ATOM 0 H ILE A 50 20.955 -0.689 -4.333 1.00 4.53 H new ATOM 0 HA ILE A 50 21.079 1.938 -3.197 1.00 32.44 H new ATOM 0 HB ILE A 50 20.169 -0.709 -1.992 1.00 34.10 H new ATOM 0 HG12 ILE A 50 18.962 -0.106 -4.070 1.00 41.41 H new ATOM 0 HG13 ILE A 50 17.930 -0.087 -2.654 1.00 41.41 H new ATOM 0 HG21 ILE A 50 18.888 0.707 -0.435 1.00 60.14 H new ATOM 0 HG22 ILE A 50 20.639 0.995 -0.298 1.00 60.14 H new ATOM 0 HG23 ILE A 50 19.611 2.159 -1.167 1.00 60.14 H new ATOM 0 HD11 ILE A 50 17.466 1.830 -4.102 1.00 13.31 H new ATOM 0 HD12 ILE A 50 18.114 2.373 -2.536 1.00 13.31 H new ATOM 0 HD13 ILE A 50 19.162 2.353 -3.974 1.00 13.31 H new ATOM 832 N GLN A 51 23.055 -0.453 -2.090 1.00 43.13 N ATOM 833 CA GLN A 51 24.232 -0.726 -1.274 1.00 3.51 C ATOM 834 C GLN A 51 24.750 -2.139 -1.520 1.00 12.13 C ATOM 835 O GLN A 51 23.977 -3.096 -1.554 1.00 31.44 O ATOM 836 CB GLN A 51 23.905 -0.540 0.209 1.00 75.42 C ATOM 837 CG GLN A 51 25.040 0.076 1.010 1.00 34.14 C ATOM 838 CD GLN A 51 24.712 1.469 1.510 1.00 11.11 C ATOM 839 OE1 GLN A 51 24.491 2.388 0.721 1.00 42.31 O ATOM 840 NE2 GLN A 51 24.678 1.633 2.827 1.00 1.24 N ATOM 0 H GLN A 51 22.747 -1.239 -2.662 1.00 43.13 H new ATOM 0 HA GLN A 51 25.012 -0.019 -1.558 1.00 3.51 H new ATOM 0 HB2 GLN A 51 23.022 0.092 0.301 1.00 75.42 H new ATOM 0 HB3 GLN A 51 23.651 -1.508 0.641 1.00 75.42 H new ATOM 0 HG2 GLN A 51 25.270 -0.566 1.860 1.00 34.14 H new ATOM 0 HG3 GLN A 51 25.936 0.118 0.391 1.00 34.14 H new ATOM 0 HE21 GLN A 51 24.868 0.843 3.444 1.00 1.24 H new ATOM 0 HE22 GLN A 51 24.462 2.549 3.222 1.00 1.24 H new ATOM 849 N SER A 52 26.062 -2.262 -1.691 1.00 42.22 N ATOM 850 CA SER A 52 26.683 -3.558 -1.938 1.00 73.13 C ATOM 851 C SER A 52 26.252 -4.576 -0.887 1.00 13.03 C ATOM 852 O SER A 52 26.170 -5.774 -1.161 1.00 4.51 O ATOM 853 CB SER A 52 28.207 -3.425 -1.941 1.00 72.34 C ATOM 854 OG SER A 52 28.666 -2.794 -0.759 1.00 22.23 O ATOM 0 H SER A 52 26.716 -1.480 -1.663 1.00 42.22 H new ATOM 0 HA SER A 52 26.354 -3.910 -2.916 1.00 73.13 H new ATOM 0 HB2 SER A 52 28.661 -4.412 -2.030 1.00 72.34 H new ATOM 0 HB3 SER A 52 28.523 -2.849 -2.811 1.00 72.34 H new ATOM 0 HG SER A 52 29.643 -2.723 -0.785 1.00 22.23 H new ATOM 860 N LYS A 53 25.976 -4.091 0.319 1.00 3.22 N ATOM 861 CA LYS A 53 25.552 -4.956 1.414 1.00 42.42 C ATOM 862 C LYS A 53 24.339 -4.371 2.131 1.00 43.25 C ATOM 863 O LYS A 53 24.323 -3.192 2.483 1.00 21.44 O ATOM 864 CB LYS A 53 26.699 -5.154 2.408 1.00 53.10 C ATOM 865 CG LYS A 53 26.707 -6.525 3.062 1.00 54.04 C ATOM 866 CD LYS A 53 28.112 -7.099 3.137 1.00 54.31 C ATOM 867 CE LYS A 53 28.801 -6.715 4.437 1.00 3.11 C ATOM 868 NZ LYS A 53 29.942 -5.786 4.207 1.00 40.24 N ATOM 0 H LYS A 53 26.038 -3.103 0.563 1.00 3.22 H new ATOM 0 HA LYS A 53 25.273 -5.922 0.994 1.00 42.42 H new ATOM 0 HB2 LYS A 53 27.647 -5.002 1.891 1.00 53.10 H new ATOM 0 HB3 LYS A 53 26.632 -4.391 3.184 1.00 53.10 H new ATOM 0 HG2 LYS A 53 26.289 -6.453 4.066 1.00 54.04 H new ATOM 0 HG3 LYS A 53 26.066 -7.202 2.497 1.00 54.04 H new ATOM 0 HD2 LYS A 53 28.068 -8.185 3.054 1.00 54.31 H new ATOM 0 HD3 LYS A 53 28.699 -6.739 2.292 1.00 54.31 H new ATOM 0 HE2 LYS A 53 28.079 -6.245 5.105 1.00 3.11 H new ATOM 0 HE3 LYS A 53 29.160 -7.614 4.937 1.00 3.11 H new ATOM 0 HZ1 LYS A 53 30.385 -5.548 5.117 1.00 40.24 H new ATOM 0 HZ2 LYS A 53 30.643 -6.243 3.590 1.00 40.24 H new ATOM 0 HZ3 LYS A 53 29.596 -4.917 3.753 1.00 40.24 H new ATOM 882 N GLY A 54 23.325 -5.204 2.344 1.00 51.32 N ATOM 883 CA GLY A 54 22.123 -4.751 3.019 1.00 53.12 C ATOM 884 C GLY A 54 20.858 -5.175 2.298 1.00 65.10 C ATOM 885 O GLY A 54 19.759 -5.064 2.841 1.00 54.24 O ATOM 0 H GLY A 54 23.315 -6.184 2.061 1.00 51.32 H new ATOM 0 HA2 GLY A 54 22.109 -5.147 4.034 1.00 53.12 H new ATOM 0 HA3 GLY A 54 22.144 -3.664 3.101 1.00 53.12 H new ATOM 889 N HIS A 55 21.014 -5.662 1.071 1.00 54.43 N ATOM 890 CA HIS A 55 19.875 -6.103 0.274 1.00 74.04 C ATOM 891 C HIS A 55 19.860 -7.623 0.142 1.00 11.02 C ATOM 892 O HIS A 55 20.776 -8.214 -0.428 1.00 21.32 O ATOM 893 CB HIS A 55 19.916 -5.460 -1.113 1.00 13.00 C ATOM 894 CG HIS A 55 21.111 -5.858 -1.923 1.00 3.14 C ATOM 895 ND1 HIS A 55 22.382 -5.384 -1.672 1.00 14.31 N ATOM 896 CD2 HIS A 55 21.225 -6.692 -2.983 1.00 10.14 C ATOM 897 CE1 HIS A 55 23.225 -5.907 -2.544 1.00 34.41 C ATOM 898 NE2 HIS A 55 22.548 -6.705 -3.350 1.00 70.32 N ATOM 0 H HIS A 55 21.917 -5.761 0.607 1.00 54.43 H new ATOM 0 HA HIS A 55 18.964 -5.791 0.784 1.00 74.04 H new ATOM 0 HB2 HIS A 55 19.012 -5.732 -1.657 1.00 13.00 H new ATOM 0 HB3 HIS A 55 19.907 -4.376 -1.002 1.00 13.00 H new ATOM 0 HD1 HIS A 55 22.632 -4.731 -0.929 1.00 14.31 H new ATOM 0 HD2 HIS A 55 20.424 -7.244 -3.453 1.00 10.14 H new ATOM 0 HE1 HIS A 55 24.287 -5.715 -2.590 1.00 34.41 H new ATOM 906 N GLU A 56 18.814 -8.248 0.674 1.00 23.22 N ATOM 907 CA GLU A 56 18.682 -9.699 0.617 1.00 25.31 C ATOM 908 C GLU A 56 17.319 -10.100 0.060 1.00 25.32 C ATOM 909 O GLU A 56 16.279 -9.722 0.601 1.00 24.20 O ATOM 910 CB GLU A 56 18.876 -10.306 2.008 1.00 31.33 C ATOM 911 CG GLU A 56 19.702 -11.582 2.006 1.00 12.33 C ATOM 912 CD GLU A 56 18.846 -12.831 2.074 1.00 34.31 C ATOM 913 OE1 GLU A 56 18.358 -13.156 3.177 1.00 74.21 O ATOM 914 OE2 GLU A 56 18.664 -13.484 1.025 1.00 32.24 O ATOM 0 H GLU A 56 18.047 -7.773 1.149 1.00 23.22 H new ATOM 0 HA GLU A 56 19.454 -10.083 -0.050 1.00 25.31 H new ATOM 0 HB2 GLU A 56 19.360 -9.571 2.652 1.00 31.33 H new ATOM 0 HB3 GLU A 56 17.899 -10.516 2.443 1.00 31.33 H new ATOM 0 HG2 GLU A 56 20.313 -11.613 1.104 1.00 12.33 H new ATOM 0 HG3 GLU A 56 20.387 -11.569 2.854 1.00 12.33 H new ATOM 921 N LEU A 57 17.333 -10.868 -1.024 1.00 53.52 N ATOM 922 CA LEU A 57 16.098 -11.320 -1.656 1.00 63.41 C ATOM 923 C LEU A 57 15.491 -12.491 -0.889 1.00 4.31 C ATOM 924 O LEU A 57 15.998 -13.612 -0.943 1.00 61.22 O ATOM 925 CB LEU A 57 16.365 -11.729 -3.106 1.00 34.31 C ATOM 926 CG LEU A 57 16.757 -10.601 -4.060 1.00 50.13 C ATOM 927 CD1 LEU A 57 15.830 -9.408 -3.886 1.00 73.14 C ATOM 928 CD2 LEU A 57 18.205 -10.191 -3.834 1.00 52.44 C ATOM 0 H LEU A 57 18.185 -11.191 -1.483 1.00 53.52 H new ATOM 0 HA LEU A 57 15.388 -10.493 -1.643 1.00 63.41 H new ATOM 0 HB2 LEU A 57 17.160 -12.475 -3.112 1.00 34.31 H new ATOM 0 HB3 LEU A 57 15.470 -12.214 -3.496 1.00 34.31 H new ATOM 0 HG LEU A 57 16.658 -10.965 -5.083 1.00 50.13 H new ATOM 0 HD11 LEU A 57 16.125 -8.615 -4.573 1.00 73.14 H new ATOM 0 HD12 LEU A 57 14.804 -9.710 -4.099 1.00 73.14 H new ATOM 0 HD13 LEU A 57 15.896 -9.043 -2.861 1.00 73.14 H new ATOM 0 HD21 LEU A 57 18.467 -9.387 -4.522 1.00 52.44 H new ATOM 0 HD22 LEU A 57 18.329 -9.846 -2.808 1.00 52.44 H new ATOM 0 HD23 LEU A 57 18.857 -11.046 -4.011 1.00 52.44 H new ATOM 940 N LEU A 58 14.403 -12.223 -0.177 1.00 35.24 N ATOM 941 CA LEU A 58 13.724 -13.255 0.600 1.00 0.24 C ATOM 942 C LEU A 58 13.211 -14.370 -0.305 1.00 43.24 C ATOM 943 O LEU A 58 13.543 -15.539 -0.116 1.00 4.03 O ATOM 944 CB LEU A 58 12.562 -12.647 1.388 1.00 51.45 C ATOM 945 CG LEU A 58 12.554 -12.921 2.892 1.00 51.32 C ATOM 946 CD1 LEU A 58 11.946 -11.747 3.645 1.00 64.41 C ATOM 947 CD2 LEU A 58 11.794 -14.203 3.196 1.00 33.32 C ATOM 0 H LEU A 58 13.971 -11.300 -0.121 1.00 35.24 H new ATOM 0 HA LEU A 58 14.444 -13.682 1.298 1.00 0.24 H new ATOM 0 HB2 LEU A 58 12.572 -11.568 1.236 1.00 51.45 H new ATOM 0 HB3 LEU A 58 11.629 -13.020 0.966 1.00 51.45 H new ATOM 0 HG LEU A 58 13.584 -13.045 3.225 1.00 51.32 H new ATOM 0 HD11 LEU A 58 11.949 -11.960 4.714 1.00 64.41 H new ATOM 0 HD12 LEU A 58 12.532 -10.848 3.452 1.00 64.41 H new ATOM 0 HD13 LEU A 58 10.921 -11.591 3.309 1.00 64.41 H new ATOM 0 HD21 LEU A 58 11.798 -14.382 4.271 1.00 33.32 H new ATOM 0 HD22 LEU A 58 10.765 -14.107 2.848 1.00 33.32 H new ATOM 0 HD23 LEU A 58 12.273 -15.039 2.687 1.00 33.32 H new ATOM 1088 N ASP A 67 6.042 -13.851 -15.358 1.00 13.21 N ATOM 1089 CA ASP A 67 6.067 -12.705 -14.457 1.00 3.35 C ATOM 1090 C ASP A 67 6.011 -13.157 -13.001 1.00 1.13 C ATOM 1091 O ASP A 67 4.967 -13.592 -12.516 1.00 33.13 O ATOM 1092 CB ASP A 67 4.898 -11.766 -14.757 1.00 52.14 C ATOM 1093 CG ASP A 67 3.554 -12.398 -14.450 1.00 5.54 C ATOM 1094 OD1 ASP A 67 3.189 -13.377 -15.133 1.00 3.22 O ATOM 1095 OD2 ASP A 67 2.868 -11.912 -13.526 1.00 72.01 O ATOM 0 HA ASP A 67 7.003 -12.170 -14.617 1.00 3.35 H new ATOM 0 HB2 ASP A 67 5.009 -10.853 -14.171 1.00 52.14 H new ATOM 0 HB3 ASP A 67 4.929 -11.476 -15.807 1.00 52.14 H new ATOM 1100 N TRP A 68 7.141 -13.052 -12.310 1.00 54.12 N ATOM 1101 CA TRP A 68 7.220 -13.451 -10.910 1.00 30.43 C ATOM 1102 C TRP A 68 7.390 -12.236 -10.006 1.00 1.44 C ATOM 1103 O TRP A 68 7.371 -11.095 -10.471 1.00 20.44 O ATOM 1104 CB TRP A 68 8.381 -14.424 -10.701 1.00 24.54 C ATOM 1105 CG TRP A 68 8.055 -15.546 -9.761 1.00 41.13 C ATOM 1106 CD1 TRP A 68 8.582 -15.754 -8.519 1.00 23.02 C ATOM 1107 CD2 TRP A 68 7.129 -16.614 -9.990 1.00 41.44 C ATOM 1108 NE1 TRP A 68 8.040 -16.887 -7.962 1.00 12.13 N ATOM 1109 CE2 TRP A 68 7.145 -17.432 -8.844 1.00 10.00 C ATOM 1110 CE3 TRP A 68 6.287 -16.957 -11.051 1.00 54.22 C ATOM 1111 CZ2 TRP A 68 6.352 -18.571 -8.732 1.00 10.12 C ATOM 1112 CZ3 TRP A 68 5.500 -18.088 -10.938 1.00 44.44 C ATOM 1113 CH2 TRP A 68 5.537 -18.883 -9.786 1.00 33.35 C ATOM 0 H TRP A 68 8.014 -12.694 -12.697 1.00 54.12 H new ATOM 0 HA TRP A 68 6.286 -13.948 -10.647 1.00 30.43 H new ATOM 0 HB2 TRP A 68 8.674 -14.841 -11.665 1.00 24.54 H new ATOM 0 HB3 TRP A 68 9.241 -13.875 -10.316 1.00 24.54 H new ATOM 0 HD1 TRP A 68 9.317 -15.121 -8.044 1.00 23.02 H new ATOM 0 HE1 TRP A 68 8.267 -17.262 -7.041 1.00 12.13 H new ATOM 0 HE3 TRP A 68 6.252 -16.350 -11.943 1.00 54.22 H new ATOM 0 HZ2 TRP A 68 6.379 -19.186 -7.845 1.00 10.12 H new ATOM 0 HZ3 TRP A 68 4.846 -18.363 -11.752 1.00 44.44 H new ATOM 0 HH2 TRP A 68 4.910 -19.760 -9.728 1.00 33.35 H new ATOM 1124 N THR A 69 7.557 -12.485 -8.710 1.00 70.04 N ATOM 1125 CA THR A 69 7.730 -11.410 -7.741 1.00 74.41 C ATOM 1126 C THR A 69 8.978 -11.629 -6.894 1.00 71.31 C ATOM 1127 O THR A 69 9.246 -12.744 -6.444 1.00 44.42 O ATOM 1128 CB THR A 69 6.507 -11.290 -6.812 1.00 20.32 C ATOM 1129 OG1 THR A 69 6.680 -12.129 -5.664 1.00 10.30 O ATOM 1130 CG2 THR A 69 5.231 -11.680 -7.543 1.00 42.30 C ATOM 0 H THR A 69 7.576 -13.422 -8.308 1.00 70.04 H new ATOM 0 HA THR A 69 7.838 -10.486 -8.309 1.00 74.41 H new ATOM 0 HB THR A 69 6.421 -10.251 -6.493 1.00 20.32 H new ATOM 0 HG1 THR A 69 5.899 -12.046 -5.078 1.00 10.30 H new ATOM 0 HG21 THR A 69 4.381 -11.587 -6.867 1.00 42.30 H new ATOM 0 HG22 THR A 69 5.087 -11.021 -8.399 1.00 42.30 H new ATOM 0 HG23 THR A 69 5.310 -12.711 -7.887 1.00 42.30 H new ATOM 1138 N ILE A 70 9.737 -10.560 -6.680 1.00 11.11 N ATOM 1139 CA ILE A 70 10.956 -10.636 -5.885 1.00 1.12 C ATOM 1140 C ILE A 70 10.849 -9.775 -4.630 1.00 70.45 C ATOM 1141 O ILE A 70 10.670 -8.560 -4.712 1.00 5.04 O ATOM 1142 CB ILE A 70 12.186 -10.189 -6.697 1.00 24.34 C ATOM 1143 CG1 ILE A 70 13.450 -10.274 -5.837 1.00 73.25 C ATOM 1144 CG2 ILE A 70 11.990 -8.775 -7.221 1.00 11.20 C ATOM 1145 CD1 ILE A 70 13.775 -11.678 -5.378 1.00 71.22 C ATOM 0 H ILE A 70 9.529 -9.631 -7.046 1.00 11.11 H new ATOM 0 HA ILE A 70 11.080 -11.680 -5.597 1.00 1.12 H new ATOM 0 HB ILE A 70 12.303 -10.858 -7.550 1.00 24.34 H new ATOM 0 HG12 ILE A 70 14.293 -9.882 -6.405 1.00 73.25 H new ATOM 0 HG13 ILE A 70 13.329 -9.634 -4.963 1.00 73.25 H new ATOM 0 HG21 ILE A 70 12.868 -8.474 -7.793 1.00 11.20 H new ATOM 0 HG22 ILE A 70 11.110 -8.744 -7.864 1.00 11.20 H new ATOM 0 HG23 ILE A 70 11.851 -8.092 -6.383 1.00 11.20 H new ATOM 0 HD11 ILE A 70 14.682 -11.662 -4.774 1.00 71.22 H new ATOM 0 HD12 ILE A 70 12.949 -12.066 -4.782 1.00 71.22 H new ATOM 0 HD13 ILE A 70 13.928 -12.318 -6.247 1.00 71.22 H new ATOM 1157 N VAL A 71 10.961 -10.414 -3.470 1.00 11.10 N ATOM 1158 CA VAL A 71 10.880 -9.707 -2.197 1.00 53.14 C ATOM 1159 C VAL A 71 12.258 -9.249 -1.734 1.00 41.03 C ATOM 1160 O VAL A 71 13.170 -10.059 -1.566 1.00 75.33 O ATOM 1161 CB VAL A 71 10.250 -10.590 -1.104 1.00 30.11 C ATOM 1162 CG1 VAL A 71 9.688 -9.731 0.019 1.00 64.12 C ATOM 1163 CG2 VAL A 71 9.169 -11.481 -1.696 1.00 72.24 C ATOM 0 H VAL A 71 11.108 -11.420 -3.385 1.00 11.10 H new ATOM 0 HA VAL A 71 10.246 -8.835 -2.359 1.00 53.14 H new ATOM 0 HB VAL A 71 11.027 -11.230 -0.686 1.00 30.11 H new ATOM 0 HG11 VAL A 71 9.247 -10.373 0.782 1.00 64.12 H new ATOM 0 HG12 VAL A 71 10.490 -9.140 0.461 1.00 64.12 H new ATOM 0 HG13 VAL A 71 8.924 -9.064 -0.380 1.00 64.12 H new ATOM 0 HG21 VAL A 71 8.735 -12.098 -0.909 1.00 72.24 H new ATOM 0 HG22 VAL A 71 8.391 -10.862 -2.142 1.00 72.24 H new ATOM 0 HG23 VAL A 71 9.605 -12.123 -2.461 1.00 72.24 H new ATOM 1173 N VAL A 72 12.404 -7.944 -1.529 1.00 11.23 N ATOM 1174 CA VAL A 72 13.671 -7.377 -1.083 1.00 1.10 C ATOM 1175 C VAL A 72 13.540 -6.763 0.306 1.00 0.13 C ATOM 1176 O VAL A 72 12.678 -5.916 0.543 1.00 21.41 O ATOM 1177 CB VAL A 72 14.180 -6.302 -2.061 1.00 41.15 C ATOM 1178 CG1 VAL A 72 15.639 -5.972 -1.782 1.00 35.54 C ATOM 1179 CG2 VAL A 72 13.995 -6.761 -3.500 1.00 2.11 C ATOM 0 H VAL A 72 11.660 -7.259 -1.665 1.00 11.23 H new ATOM 0 HA VAL A 72 14.389 -8.196 -1.049 1.00 1.10 H new ATOM 0 HB VAL A 72 13.593 -5.395 -1.914 1.00 41.15 H new ATOM 0 HG11 VAL A 72 15.980 -5.211 -2.483 1.00 35.54 H new ATOM 0 HG12 VAL A 72 15.739 -5.598 -0.763 1.00 35.54 H new ATOM 0 HG13 VAL A 72 16.244 -6.871 -1.899 1.00 35.54 H new ATOM 0 HG21 VAL A 72 14.360 -5.989 -4.178 1.00 2.11 H new ATOM 0 HG22 VAL A 72 14.555 -7.682 -3.663 1.00 2.11 H new ATOM 0 HG23 VAL A 72 12.937 -6.941 -3.691 1.00 2.11 H new ATOM 1189 N ARG A 73 14.401 -7.195 1.222 1.00 42.23 N ATOM 1190 CA ARG A 73 14.381 -6.688 2.589 1.00 45.04 C ATOM 1191 C ARG A 73 15.527 -5.707 2.821 1.00 13.22 C ATOM 1192 O ARG A 73 16.694 -6.096 2.860 1.00 42.12 O ATOM 1193 CB ARG A 73 14.476 -7.845 3.585 1.00 2.44 C ATOM 1194 CG ARG A 73 15.651 -8.775 3.329 1.00 12.44 C ATOM 1195 CD ARG A 73 16.572 -8.854 4.537 1.00 73.21 C ATOM 1196 NE ARG A 73 16.122 -9.852 5.504 1.00 55.12 N ATOM 1197 CZ ARG A 73 16.788 -10.155 6.612 1.00 4.40 C ATOM 1198 NH1 ARG A 73 17.929 -9.540 6.892 1.00 0.52 N ATOM 1199 NH2 ARG A 73 16.314 -11.074 7.443 1.00 61.00 N ATOM 0 H ARG A 73 15.121 -7.895 1.042 1.00 42.23 H new ATOM 0 HA ARG A 73 13.439 -6.162 2.742 1.00 45.04 H new ATOM 0 HB2 ARG A 73 14.558 -7.439 4.593 1.00 2.44 H new ATOM 0 HB3 ARG A 73 13.552 -8.422 3.548 1.00 2.44 H new ATOM 0 HG2 ARG A 73 15.282 -9.771 3.086 1.00 12.44 H new ATOM 0 HG3 ARG A 73 16.213 -8.423 2.464 1.00 12.44 H new ATOM 0 HD2 ARG A 73 17.582 -9.098 4.208 1.00 73.21 H new ATOM 0 HD3 ARG A 73 16.621 -7.878 5.020 1.00 73.21 H new ATOM 0 HE ARG A 73 15.248 -10.343 5.318 1.00 55.12 H new ATOM 0 HH11 ARG A 73 18.297 -8.833 6.256 1.00 0.52 H new ATOM 0 HH12 ARG A 73 18.439 -9.774 7.744 1.00 0.52 H new ATOM 0 HH21 ARG A 73 15.437 -11.549 7.231 1.00 61.00 H new ATOM 0 HH22 ARG A 73 16.827 -11.306 8.294 1.00 61.00 H new ATOM 1213 N LYS A 74 15.185 -4.432 2.975 1.00 33.23 N ATOM 1214 CA LYS A 74 16.183 -3.394 3.205 1.00 75.11 C ATOM 1215 C LYS A 74 16.957 -3.659 4.492 1.00 63.32 C ATOM 1216 O LYS A 74 16.482 -4.367 5.380 1.00 1.34 O ATOM 1217 CB LYS A 74 15.512 -2.020 3.275 1.00 63.15 C ATOM 1218 CG LYS A 74 15.503 -1.280 1.948 1.00 5.23 C ATOM 1219 CD LYS A 74 15.566 0.225 2.149 1.00 2.12 C ATOM 1220 CE LYS A 74 16.836 0.814 1.554 1.00 55.54 C ATOM 1221 NZ LYS A 74 17.892 1.011 2.584 1.00 3.31 N ATOM 0 H LYS A 74 14.224 -4.093 2.945 1.00 33.23 H new ATOM 0 HA LYS A 74 16.884 -3.408 2.371 1.00 75.11 H new ATOM 0 HB2 LYS A 74 14.485 -2.143 3.620 1.00 63.15 H new ATOM 0 HB3 LYS A 74 16.027 -1.411 4.018 1.00 63.15 H new ATOM 0 HG2 LYS A 74 16.351 -1.603 1.344 1.00 5.23 H new ATOM 0 HG3 LYS A 74 14.600 -1.537 1.393 1.00 5.23 H new ATOM 0 HD2 LYS A 74 14.696 0.692 1.687 1.00 2.12 H new ATOM 0 HD3 LYS A 74 15.522 0.453 3.214 1.00 2.12 H new ATOM 0 HE2 LYS A 74 17.211 0.154 0.772 1.00 55.54 H new ATOM 0 HE3 LYS A 74 16.607 1.769 1.082 1.00 55.54 H new ATOM 0 HZ1 LYS A 74 18.741 1.414 2.138 1.00 3.31 H new ATOM 0 HZ2 LYS A 74 17.544 1.661 3.318 1.00 3.31 H new ATOM 0 HZ3 LYS A 74 18.130 0.096 3.017 1.00 3.31 H new ATOM 1235 N LYS A 75 18.152 -3.086 4.586 1.00 23.23 N ATOM 1236 CA LYS A 75 18.993 -3.258 5.766 1.00 54.35 C ATOM 1237 C LYS A 75 20.198 -2.324 5.715 1.00 31.32 C ATOM 1238 O LYS A 75 20.627 -1.793 6.739 1.00 33.42 O ATOM 1239 CB LYS A 75 19.463 -4.710 5.875 1.00 11.11 C ATOM 1240 CG LYS A 75 19.213 -5.329 7.239 1.00 32.03 C ATOM 1241 CD LYS A 75 20.431 -5.205 8.140 1.00 75.24 C ATOM 1242 CE LYS A 75 20.632 -6.457 8.981 1.00 55.54 C ATOM 1243 NZ LYS A 75 19.997 -6.331 10.322 1.00 4.01 N ATOM 0 H LYS A 75 18.561 -2.498 3.859 1.00 23.23 H new ATOM 0 HA LYS A 75 18.399 -3.008 6.645 1.00 54.35 H new ATOM 0 HB2 LYS A 75 18.955 -5.305 5.116 1.00 11.11 H new ATOM 0 HB3 LYS A 75 20.530 -4.755 5.655 1.00 11.11 H new ATOM 0 HG2 LYS A 75 18.360 -4.841 7.710 1.00 32.03 H new ATOM 0 HG3 LYS A 75 18.953 -6.381 7.120 1.00 32.03 H new ATOM 0 HD2 LYS A 75 21.318 -5.027 7.532 1.00 75.24 H new ATOM 0 HD3 LYS A 75 20.315 -4.341 8.794 1.00 75.24 H new ATOM 0 HE2 LYS A 75 20.211 -7.317 8.459 1.00 55.54 H new ATOM 0 HE3 LYS A 75 21.699 -6.647 9.100 1.00 55.54 H new ATOM 0 HZ1 LYS A 75 20.156 -7.204 10.865 1.00 4.01 H new ATOM 0 HZ2 LYS A 75 20.416 -5.526 10.830 1.00 4.01 H new ATOM 0 HZ3 LYS A 75 18.975 -6.175 10.209 1.00 4.01 H new