USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 397 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 18 MET CE :methyl -124:sc= -3.59! (180deg=-3.11!) USER MOD Set 1.2: A 21 MET CE :methyl -179:sc= -3.68 (180deg=-3.69) USER MOD Single : A 1 GLY N :NH3+ -126:sc= -0.216 (180deg=-1.64!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -90:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.892 K(o=-0.89,f=-1.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0584 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.8!) USER MOD Single : A 36 THR OG1 : rot 77:sc= 0.968 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 49:sc= -0.832 USER MOD Single : A 49 GLN : amide:sc= -0.0594 X(o=-0.059,f=-0.059) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0973 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc=-0.00571 X(o=-0.0057,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.958 4.033 -2.982 1.00 71.14 N ATOM 2 CA GLY A 1 3.623 3.264 -4.018 1.00 54.23 C ATOM 3 C GLY A 1 3.661 1.781 -3.706 1.00 11.43 C ATOM 4 O GLY A 1 4.718 1.207 -3.445 1.00 43.23 O ATOM 0 H1 GLY A 1 2.200 4.604 -3.406 1.00 71.14 H new ATOM 0 H2 GLY A 1 2.551 3.386 -2.277 1.00 71.14 H new ATOM 0 H3 GLY A 1 3.646 4.660 -2.519 1.00 71.14 H new ATOM 0 HA2 GLY A 1 3.110 3.419 -4.967 1.00 54.23 H new ATOM 0 HA3 GLY A 1 4.641 3.632 -4.142 1.00 54.23 H new ATOM 8 N PRO A 2 2.484 1.138 -3.728 1.00 24.44 N ATOM 9 CA PRO A 2 2.361 -0.296 -3.445 1.00 40.43 C ATOM 10 C PRO A 2 2.965 -1.158 -4.549 1.00 13.23 C ATOM 11 O PRO A 2 2.869 -0.828 -5.731 1.00 54.45 O ATOM 12 CB PRO A 2 0.848 -0.512 -3.365 1.00 32.31 C ATOM 13 CG PRO A 2 0.264 0.581 -4.192 1.00 62.41 C ATOM 14 CD PRO A 2 1.184 1.759 -4.030 1.00 61.01 C ATOM 0 HA PRO A 2 2.895 -0.581 -2.538 1.00 40.43 H new ATOM 0 HB2 PRO A 2 0.567 -1.492 -3.750 1.00 32.31 H new ATOM 0 HB3 PRO A 2 0.495 -0.461 -2.335 1.00 32.31 H new ATOM 0 HG2 PRO A 2 0.192 0.283 -5.238 1.00 62.41 H new ATOM 0 HG3 PRO A 2 -0.745 0.825 -3.860 1.00 62.41 H new ATOM 0 HD2 PRO A 2 1.228 2.362 -4.937 1.00 61.01 H new ATOM 0 HD3 PRO A 2 0.856 2.417 -3.225 1.00 61.01 H new ATOM 22 N LEU A 3 3.586 -2.264 -4.155 1.00 43.13 N ATOM 23 CA LEU A 3 4.206 -3.175 -5.112 1.00 13.22 C ATOM 24 C LEU A 3 4.797 -4.389 -4.403 1.00 32.30 C ATOM 25 O LEU A 3 5.818 -4.289 -3.725 1.00 44.20 O ATOM 26 CB LEU A 3 5.297 -2.451 -5.903 1.00 14.23 C ATOM 27 CG LEU A 3 5.294 -2.680 -7.414 1.00 61.55 C ATOM 28 CD1 LEU A 3 4.256 -1.796 -8.087 1.00 42.42 C ATOM 29 CD2 LEU A 3 6.676 -2.421 -7.996 1.00 3.23 C ATOM 0 H LEU A 3 3.674 -2.552 -3.180 1.00 43.13 H new ATOM 0 HA LEU A 3 3.435 -3.519 -5.801 1.00 13.22 H new ATOM 0 HB2 LEU A 3 5.203 -1.381 -5.718 1.00 14.23 H new ATOM 0 HB3 LEU A 3 6.267 -2.758 -5.511 1.00 14.23 H new ATOM 0 HG LEU A 3 5.031 -3.721 -7.603 1.00 61.55 H new ATOM 0 HD11 LEU A 3 4.269 -1.973 -9.162 1.00 42.42 H new ATOM 0 HD12 LEU A 3 3.267 -2.031 -7.693 1.00 42.42 H new ATOM 0 HD13 LEU A 3 4.486 -0.749 -7.889 1.00 42.42 H new ATOM 0 HD21 LEU A 3 6.655 -2.589 -9.073 1.00 3.23 H new ATOM 0 HD22 LEU A 3 6.968 -1.390 -7.795 1.00 3.23 H new ATOM 0 HD23 LEU A 3 7.397 -3.098 -7.537 1.00 3.23 H new ATOM 41 N GLY A 4 4.147 -5.538 -4.567 1.00 3.04 N ATOM 42 CA GLY A 4 4.624 -6.756 -3.938 1.00 44.11 C ATOM 43 C GLY A 4 4.355 -7.987 -4.781 1.00 2.13 C ATOM 44 O GLY A 4 5.250 -8.803 -5.003 1.00 53.12 O ATOM 0 H GLY A 4 3.299 -5.647 -5.124 1.00 3.04 H new ATOM 0 HA2 GLY A 4 5.695 -6.671 -3.755 1.00 44.11 H new ATOM 0 HA3 GLY A 4 4.143 -6.872 -2.967 1.00 44.11 H new ATOM 48 N SER A 5 3.119 -8.123 -5.249 1.00 52.44 N ATOM 49 CA SER A 5 2.733 -9.266 -6.068 1.00 33.24 C ATOM 50 C SER A 5 3.041 -10.577 -5.350 1.00 12.44 C ATOM 51 O SER A 5 3.807 -11.402 -5.845 1.00 74.42 O ATOM 52 CB SER A 5 3.459 -9.226 -7.413 1.00 44.23 C ATOM 53 OG SER A 5 2.823 -8.332 -8.310 1.00 74.21 O ATOM 0 H SER A 5 2.367 -7.456 -5.075 1.00 52.44 H new ATOM 0 HA SER A 5 1.658 -9.210 -6.242 1.00 33.24 H new ATOM 0 HB2 SER A 5 4.494 -8.919 -7.262 1.00 44.23 H new ATOM 0 HB3 SER A 5 3.483 -10.226 -7.847 1.00 44.23 H new ATOM 0 HG SER A 5 3.307 -8.323 -9.162 1.00 74.21 H new ATOM 59 N GLU A 6 2.438 -10.759 -4.179 1.00 12.31 N ATOM 60 CA GLU A 6 2.648 -11.968 -3.392 1.00 22.01 C ATOM 61 C GLU A 6 1.722 -13.088 -3.857 1.00 12.11 C ATOM 62 O GLU A 6 1.004 -12.943 -4.846 1.00 31.41 O ATOM 63 CB GLU A 6 2.417 -11.683 -1.906 1.00 75.35 C ATOM 64 CG GLU A 6 3.320 -10.598 -1.347 1.00 1.53 C ATOM 65 CD GLU A 6 4.576 -11.156 -0.707 1.00 65.34 C ATOM 66 OE1 GLU A 6 5.506 -11.532 -1.452 1.00 55.44 O ATOM 67 OE2 GLU A 6 4.630 -11.218 0.539 1.00 42.21 O ATOM 0 H GLU A 6 1.801 -10.085 -3.755 1.00 12.31 H new ATOM 0 HA GLU A 6 3.679 -12.290 -3.536 1.00 22.01 H new ATOM 0 HB2 GLU A 6 1.377 -11.391 -1.758 1.00 75.35 H new ATOM 0 HB3 GLU A 6 2.573 -12.601 -1.340 1.00 75.35 H new ATOM 0 HG2 GLU A 6 3.598 -9.914 -2.149 1.00 1.53 H new ATOM 0 HG3 GLU A 6 2.768 -10.016 -0.609 1.00 1.53 H new ATOM 74 N ALA A 7 1.744 -14.204 -3.136 1.00 64.21 N ATOM 75 CA ALA A 7 0.906 -15.348 -3.473 1.00 63.20 C ATOM 76 C ALA A 7 0.438 -16.075 -2.217 1.00 3.33 C ATOM 77 O ALA A 7 0.609 -15.580 -1.102 1.00 61.42 O ATOM 78 CB ALA A 7 1.659 -16.303 -4.388 1.00 4.04 C ATOM 0 H ALA A 7 2.333 -14.340 -2.315 1.00 64.21 H new ATOM 0 HA ALA A 7 0.025 -14.979 -3.997 1.00 63.20 H new ATOM 0 HB1 ALA A 7 1.021 -17.153 -4.631 1.00 4.04 H new ATOM 0 HB2 ALA A 7 1.938 -15.784 -5.305 1.00 4.04 H new ATOM 0 HB3 ALA A 7 2.558 -16.657 -3.884 1.00 4.04 H new ATOM 84 N ASP A 8 -0.153 -17.249 -2.404 1.00 71.41 N ATOM 85 CA ASP A 8 -0.646 -18.044 -1.285 1.00 62.52 C ATOM 86 C ASP A 8 -0.198 -19.497 -1.412 1.00 24.12 C ATOM 87 O ASP A 8 0.162 -19.970 -2.490 1.00 42.33 O ATOM 88 CB ASP A 8 -2.172 -17.973 -1.214 1.00 60.01 C ATOM 89 CG ASP A 8 -2.660 -17.216 0.005 1.00 21.14 C ATOM 90 OD1 ASP A 8 -2.120 -16.124 0.282 1.00 23.41 O ATOM 91 OD2 ASP A 8 -3.583 -17.715 0.683 1.00 44.02 O ATOM 0 H ASP A 8 -0.303 -17.672 -3.320 1.00 71.41 H new ATOM 0 HA ASP A 8 -0.228 -17.632 -0.367 1.00 62.52 H new ATOM 0 HB2 ASP A 8 -2.553 -17.490 -2.114 1.00 60.01 H new ATOM 0 HB3 ASP A 8 -2.580 -18.984 -1.198 1.00 60.01 H new ATOM 96 N PRO A 9 -0.218 -20.223 -0.284 1.00 61.43 N ATOM 97 CA PRO A 9 0.184 -21.633 -0.243 1.00 51.41 C ATOM 98 C PRO A 9 -0.809 -22.540 -0.961 1.00 51.25 C ATOM 99 O PRO A 9 -0.426 -23.549 -1.554 1.00 12.30 O ATOM 100 CB PRO A 9 0.212 -21.950 1.254 1.00 12.21 C ATOM 101 CG PRO A 9 -0.735 -20.976 1.865 1.00 15.14 C ATOM 102 CD PRO A 9 -0.635 -19.725 1.037 1.00 52.00 C ATOM 0 HA PRO A 9 1.136 -21.800 -0.746 1.00 51.41 H new ATOM 0 HB2 PRO A 9 -0.097 -22.977 1.447 1.00 12.21 H new ATOM 0 HB3 PRO A 9 1.216 -21.837 1.664 1.00 12.21 H new ATOM 0 HG2 PRO A 9 -1.753 -21.366 1.861 1.00 15.14 H new ATOM 0 HG3 PRO A 9 -0.474 -20.778 2.905 1.00 15.14 H new ATOM 0 HD2 PRO A 9 -1.589 -19.200 0.986 1.00 52.00 H new ATOM 0 HD3 PRO A 9 0.092 -19.026 1.451 1.00 52.00 H new ATOM 110 N ARG A 10 -2.086 -22.174 -0.905 1.00 64.02 N ATOM 111 CA ARG A 10 -3.133 -22.956 -1.550 1.00 55.12 C ATOM 112 C ARG A 10 -3.367 -22.477 -2.980 1.00 63.42 C ATOM 113 O ARG A 10 -4.344 -22.862 -3.624 1.00 20.54 O ATOM 114 CB ARG A 10 -4.435 -22.862 -0.751 1.00 44.20 C ATOM 115 CG ARG A 10 -4.464 -23.762 0.473 1.00 23.03 C ATOM 116 CD ARG A 10 -4.890 -22.997 1.717 1.00 64.41 C ATOM 117 NE ARG A 10 -6.341 -22.862 1.806 1.00 40.22 N ATOM 118 CZ ARG A 10 -7.146 -23.834 2.219 1.00 60.41 C ATOM 119 NH1 ARG A 10 -6.644 -25.007 2.579 1.00 25.14 N ATOM 120 NH2 ARG A 10 -8.457 -23.635 2.272 1.00 3.44 N ATOM 0 H ARG A 10 -2.420 -21.341 -0.420 1.00 64.02 H new ATOM 0 HA ARG A 10 -2.807 -23.996 -1.582 1.00 55.12 H new ATOM 0 HB2 ARG A 10 -4.584 -21.829 -0.436 1.00 44.20 H new ATOM 0 HB3 ARG A 10 -5.270 -23.121 -1.402 1.00 44.20 H new ATOM 0 HG2 ARG A 10 -5.151 -24.590 0.301 1.00 23.03 H new ATOM 0 HG3 ARG A 10 -3.476 -24.195 0.631 1.00 23.03 H new ATOM 0 HD2 ARG A 10 -4.519 -23.511 2.604 1.00 64.41 H new ATOM 0 HD3 ARG A 10 -4.434 -22.007 1.708 1.00 64.41 H new ATOM 0 HE ARG A 10 -6.760 -21.972 1.536 1.00 40.22 H new ATOM 0 HH11 ARG A 10 -5.637 -25.165 2.539 1.00 25.14 H new ATOM 0 HH12 ARG A 10 -7.265 -25.752 2.896 1.00 25.14 H new ATOM 0 HH21 ARG A 10 -8.848 -22.734 1.995 1.00 3.44 H new ATOM 0 HH22 ARG A 10 -9.074 -24.383 2.589 1.00 3.44 H new ATOM 134 N LEU A 11 -2.464 -21.636 -3.471 1.00 42.15 N ATOM 135 CA LEU A 11 -2.571 -21.104 -4.826 1.00 2.24 C ATOM 136 C LEU A 11 -1.352 -21.486 -5.659 1.00 23.12 C ATOM 137 O LEU A 11 -1.483 -21.970 -6.783 1.00 73.04 O ATOM 138 CB LEU A 11 -2.719 -19.582 -4.786 1.00 52.15 C ATOM 139 CG LEU A 11 -2.654 -18.866 -6.136 1.00 61.21 C ATOM 140 CD1 LEU A 11 -3.894 -19.170 -6.962 1.00 70.32 C ATOM 141 CD2 LEU A 11 -2.498 -17.366 -5.937 1.00 51.41 C ATOM 0 H LEU A 11 -1.650 -21.307 -2.952 1.00 42.15 H new ATOM 0 HA LEU A 11 -3.456 -21.537 -5.292 1.00 2.24 H new ATOM 0 HB2 LEU A 11 -3.672 -19.342 -4.315 1.00 52.15 H new ATOM 0 HB3 LEU A 11 -1.936 -19.177 -4.145 1.00 52.15 H new ATOM 0 HG LEU A 11 -1.783 -19.233 -6.678 1.00 61.21 H new ATOM 0 HD11 LEU A 11 -3.830 -18.652 -7.919 1.00 70.32 H new ATOM 0 HD12 LEU A 11 -3.962 -20.244 -7.135 1.00 70.32 H new ATOM 0 HD13 LEU A 11 -4.781 -18.832 -6.425 1.00 70.32 H new ATOM 0 HD21 LEU A 11 -2.453 -16.873 -6.908 1.00 51.41 H new ATOM 0 HD22 LEU A 11 -3.349 -16.983 -5.374 1.00 51.41 H new ATOM 0 HD23 LEU A 11 -1.579 -17.166 -5.386 1.00 51.41 H new ATOM 153 N ILE A 12 -0.167 -21.268 -5.099 1.00 2.52 N ATOM 154 CA ILE A 12 1.075 -21.592 -5.789 1.00 23.31 C ATOM 155 C ILE A 12 1.072 -23.038 -6.275 1.00 44.41 C ATOM 156 O ILE A 12 1.692 -23.363 -7.287 1.00 71.12 O ATOM 157 CB ILE A 12 2.299 -21.371 -4.880 1.00 51.32 C ATOM 158 CG1 ILE A 12 2.221 -22.280 -3.652 1.00 71.23 C ATOM 159 CG2 ILE A 12 2.389 -19.911 -4.460 1.00 63.22 C ATOM 160 CD1 ILE A 12 3.050 -23.539 -3.779 1.00 74.33 C ATOM 0 H ILE A 12 -0.041 -20.868 -4.169 1.00 2.52 H new ATOM 0 HA ILE A 12 1.144 -20.922 -6.646 1.00 23.31 H new ATOM 0 HB ILE A 12 3.199 -21.625 -5.439 1.00 51.32 H new ATOM 0 HG12 ILE A 12 2.553 -21.723 -2.776 1.00 71.23 H new ATOM 0 HG13 ILE A 12 1.181 -22.555 -3.479 1.00 71.23 H new ATOM 0 HG21 ILE A 12 3.259 -19.770 -3.818 1.00 63.22 H new ATOM 0 HG22 ILE A 12 2.486 -19.283 -5.346 1.00 63.22 H new ATOM 0 HG23 ILE A 12 1.487 -19.633 -3.915 1.00 63.22 H new ATOM 0 HD11 ILE A 12 2.947 -24.135 -2.872 1.00 74.33 H new ATOM 0 HD12 ILE A 12 2.704 -24.118 -4.635 1.00 74.33 H new ATOM 0 HD13 ILE A 12 4.097 -23.272 -3.921 1.00 74.33 H new ATOM 172 N GLU A 13 0.369 -23.900 -5.547 1.00 41.34 N ATOM 173 CA GLU A 13 0.285 -25.311 -5.906 1.00 11.41 C ATOM 174 C GLU A 13 -0.179 -25.478 -7.350 1.00 34.21 C ATOM 175 O GLU A 13 0.348 -26.308 -8.091 1.00 5.44 O ATOM 176 CB GLU A 13 -0.672 -26.043 -4.963 1.00 24.13 C ATOM 177 CG GLU A 13 -2.065 -25.439 -4.919 1.00 51.22 C ATOM 178 CD GLU A 13 -3.049 -26.176 -5.807 1.00 23.11 C ATOM 179 OE1 GLU A 13 -2.601 -26.825 -6.776 1.00 34.23 O ATOM 180 OE2 GLU A 13 -4.265 -26.104 -5.534 1.00 21.04 O ATOM 0 H GLU A 13 -0.150 -23.646 -4.706 1.00 41.34 H new ATOM 0 HA GLU A 13 1.281 -25.744 -5.810 1.00 11.41 H new ATOM 0 HB2 GLU A 13 -0.747 -27.085 -5.273 1.00 24.13 H new ATOM 0 HB3 GLU A 13 -0.252 -26.039 -3.957 1.00 24.13 H new ATOM 0 HG2 GLU A 13 -2.429 -25.450 -3.892 1.00 51.22 H new ATOM 0 HG3 GLU A 13 -2.014 -24.395 -5.228 1.00 51.22 H new ATOM 187 N SER A 14 -1.171 -24.685 -7.742 1.00 51.13 N ATOM 188 CA SER A 14 -1.710 -24.748 -9.096 1.00 14.34 C ATOM 189 C SER A 14 -0.738 -24.131 -10.097 1.00 15.21 C ATOM 190 O SER A 14 -0.416 -24.736 -11.120 1.00 44.32 O ATOM 191 CB SER A 14 -3.058 -24.026 -9.164 1.00 63.15 C ATOM 192 OG SER A 14 -4.049 -24.726 -8.433 1.00 31.11 O ATOM 0 H SER A 14 -1.618 -23.992 -7.142 1.00 51.13 H new ATOM 0 HA SER A 14 -1.854 -25.797 -9.356 1.00 14.34 H new ATOM 0 HB2 SER A 14 -2.954 -23.016 -8.766 1.00 63.15 H new ATOM 0 HB3 SER A 14 -3.370 -23.928 -10.204 1.00 63.15 H new ATOM 0 HG SER A 14 -4.498 -25.367 -9.022 1.00 31.11 H new ATOM 198 N LEU A 15 -0.275 -22.923 -9.795 1.00 14.02 N ATOM 199 CA LEU A 15 0.660 -22.222 -10.667 1.00 63.03 C ATOM 200 C LEU A 15 1.821 -23.129 -11.061 1.00 65.23 C ATOM 201 O LEU A 15 2.229 -23.164 -12.222 1.00 52.14 O ATOM 202 CB LEU A 15 1.192 -20.966 -9.974 1.00 72.30 C ATOM 203 CG LEU A 15 0.204 -19.807 -9.836 1.00 3.00 C ATOM 204 CD1 LEU A 15 0.167 -19.305 -8.401 1.00 23.43 C ATOM 205 CD2 LEU A 15 0.571 -18.678 -10.788 1.00 51.11 C ATOM 0 H LEU A 15 -0.532 -22.409 -8.953 1.00 14.02 H new ATOM 0 HA LEU A 15 0.126 -21.931 -11.572 1.00 63.03 H new ATOM 0 HB2 LEU A 15 1.537 -21.243 -8.978 1.00 72.30 H new ATOM 0 HB3 LEU A 15 2.062 -20.612 -10.526 1.00 72.30 H new ATOM 0 HG LEU A 15 -0.790 -20.169 -10.098 1.00 3.00 H new ATOM 0 HD11 LEU A 15 -0.541 -18.480 -8.322 1.00 23.43 H new ATOM 0 HD12 LEU A 15 -0.143 -20.114 -7.740 1.00 23.43 H new ATOM 0 HD13 LEU A 15 1.159 -18.960 -8.111 1.00 23.43 H new ATOM 0 HD21 LEU A 15 -0.143 -17.862 -10.676 1.00 51.11 H new ATOM 0 HD22 LEU A 15 1.573 -18.318 -10.556 1.00 51.11 H new ATOM 0 HD23 LEU A 15 0.545 -19.045 -11.814 1.00 51.11 H new ATOM 217 N SER A 16 2.349 -23.864 -10.087 1.00 52.31 N ATOM 218 CA SER A 16 3.464 -24.771 -10.332 1.00 3.53 C ATOM 219 C SER A 16 3.177 -25.676 -11.526 1.00 13.15 C ATOM 220 O SER A 16 4.085 -26.049 -12.267 1.00 50.03 O ATOM 221 CB SER A 16 3.742 -25.619 -9.089 1.00 55.30 C ATOM 222 OG SER A 16 4.939 -26.363 -9.236 1.00 13.40 O ATOM 0 H SER A 16 2.022 -23.849 -9.121 1.00 52.31 H new ATOM 0 HA SER A 16 4.345 -24.171 -10.558 1.00 3.53 H new ATOM 0 HB2 SER A 16 3.817 -24.973 -8.214 1.00 55.30 H new ATOM 0 HB3 SER A 16 2.907 -26.298 -8.914 1.00 55.30 H new ATOM 0 HG SER A 16 5.095 -26.895 -8.428 1.00 13.40 H new ATOM 228 N GLN A 17 1.907 -26.025 -11.703 1.00 55.31 N ATOM 229 CA GLN A 17 1.499 -26.887 -12.806 1.00 53.10 C ATOM 230 C GLN A 17 1.369 -26.091 -14.100 1.00 44.34 C ATOM 231 O GLN A 17 1.748 -26.564 -15.172 1.00 14.24 O ATOM 232 CB GLN A 17 0.171 -27.573 -12.481 1.00 32.14 C ATOM 233 CG GLN A 17 0.109 -28.142 -11.072 1.00 61.03 C ATOM 234 CD GLN A 17 -0.375 -29.578 -11.044 1.00 31.31 C ATOM 235 OE1 GLN A 17 -1.299 -29.920 -10.305 1.00 0.42 O ATOM 236 NE2 GLN A 17 0.248 -30.429 -11.851 1.00 33.42 N ATOM 0 H GLN A 17 1.143 -25.724 -11.097 1.00 55.31 H new ATOM 0 HA GLN A 17 2.269 -27.647 -12.943 1.00 53.10 H new ATOM 0 HB2 GLN A 17 -0.640 -26.856 -12.610 1.00 32.14 H new ATOM 0 HB3 GLN A 17 0.003 -28.378 -13.197 1.00 32.14 H new ATOM 0 HG2 GLN A 17 1.098 -28.087 -10.618 1.00 61.03 H new ATOM 0 HG3 GLN A 17 -0.555 -27.527 -10.465 1.00 61.03 H new ATOM 0 HE21 GLN A 17 1.009 -30.103 -12.447 1.00 33.42 H new ATOM 0 HE22 GLN A 17 -0.034 -31.409 -11.875 1.00 33.42 H new ATOM 245 N MET A 18 0.832 -24.880 -13.993 1.00 44.23 N ATOM 246 CA MET A 18 0.654 -24.018 -15.156 1.00 2.31 C ATOM 247 C MET A 18 2.002 -23.573 -15.715 1.00 21.50 C ATOM 248 O MET A 18 2.322 -23.838 -16.875 1.00 24.34 O ATOM 249 CB MET A 18 -0.186 -22.794 -14.786 1.00 51.11 C ATOM 250 CG MET A 18 -1.479 -23.140 -14.066 1.00 55.33 C ATOM 251 SD MET A 18 -2.942 -22.813 -15.070 1.00 5.14 S ATOM 252 CE MET A 18 -2.463 -23.569 -16.621 1.00 52.24 C ATOM 0 H MET A 18 0.513 -24.474 -13.114 1.00 44.23 H new ATOM 0 HA MET A 18 0.133 -24.590 -15.924 1.00 2.31 H new ATOM 0 HB2 MET A 18 0.407 -22.134 -14.153 1.00 51.11 H new ATOM 0 HB3 MET A 18 -0.422 -22.238 -15.693 1.00 51.11 H new ATOM 0 HG2 MET A 18 -1.464 -24.193 -13.785 1.00 55.33 H new ATOM 0 HG3 MET A 18 -1.541 -22.565 -13.142 1.00 55.33 H new ATOM 0 HE1 MET A 18 -2.530 -22.832 -17.421 1.00 52.24 H new ATOM 0 HE2 MET A 18 -1.438 -23.933 -16.547 1.00 52.24 H new ATOM 0 HE3 MET A 18 -3.129 -24.403 -16.840 1.00 52.24 H new ATOM 262 N LEU A 19 2.788 -22.897 -14.885 1.00 11.13 N ATOM 263 CA LEU A 19 4.102 -22.415 -15.296 1.00 70.55 C ATOM 264 C LEU A 19 4.956 -23.558 -15.836 1.00 61.30 C ATOM 265 O LEU A 19 5.776 -23.364 -16.734 1.00 13.34 O ATOM 266 CB LEU A 19 4.813 -21.744 -14.120 1.00 54.00 C ATOM 267 CG LEU A 19 4.001 -20.699 -13.353 1.00 72.42 C ATOM 268 CD1 LEU A 19 4.820 -20.120 -12.210 1.00 62.24 C ATOM 269 CD2 LEU A 19 3.533 -19.595 -14.290 1.00 12.04 C ATOM 0 H LEU A 19 2.538 -22.670 -13.922 1.00 11.13 H new ATOM 0 HA LEU A 19 3.961 -21.683 -16.091 1.00 70.55 H new ATOM 0 HB2 LEU A 19 5.125 -22.519 -13.420 1.00 54.00 H new ATOM 0 HB3 LEU A 19 5.720 -21.268 -14.493 1.00 54.00 H new ATOM 0 HG LEU A 19 3.122 -21.187 -12.931 1.00 72.42 H new ATOM 0 HD11 LEU A 19 4.226 -19.378 -11.676 1.00 62.24 H new ATOM 0 HD12 LEU A 19 5.104 -20.919 -11.525 1.00 62.24 H new ATOM 0 HD13 LEU A 19 5.718 -19.647 -12.609 1.00 62.24 H new ATOM 0 HD21 LEU A 19 2.957 -18.860 -13.728 1.00 12.04 H new ATOM 0 HD22 LEU A 19 4.398 -19.109 -14.741 1.00 12.04 H new ATOM 0 HD23 LEU A 19 2.908 -20.023 -15.074 1.00 12.04 H new ATOM 281 N SER A 20 4.757 -24.751 -15.284 1.00 11.10 N ATOM 282 CA SER A 20 5.510 -25.925 -15.709 1.00 31.24 C ATOM 283 C SER A 20 4.922 -26.514 -16.988 1.00 23.15 C ATOM 284 O SER A 20 5.630 -27.136 -17.779 1.00 74.42 O ATOM 285 CB SER A 20 5.514 -26.982 -14.602 1.00 44.23 C ATOM 286 OG SER A 20 6.335 -28.083 -14.952 1.00 72.12 O ATOM 0 H SER A 20 4.081 -24.930 -14.542 1.00 11.10 H new ATOM 0 HA SER A 20 6.536 -25.615 -15.910 1.00 31.24 H new ATOM 0 HB2 SER A 20 5.871 -26.539 -13.673 1.00 44.23 H new ATOM 0 HB3 SER A 20 4.496 -27.327 -14.420 1.00 44.23 H new ATOM 0 HG SER A 20 6.322 -28.744 -14.228 1.00 72.12 H new ATOM 292 N MET A 21 3.623 -26.313 -17.182 1.00 1.43 N ATOM 293 CA MET A 21 2.939 -26.822 -18.365 1.00 25.33 C ATOM 294 C MET A 21 3.233 -25.949 -19.581 1.00 22.43 C ATOM 295 O MET A 21 3.295 -26.439 -20.708 1.00 4.23 O ATOM 296 CB MET A 21 1.431 -26.886 -18.120 1.00 54.24 C ATOM 297 CG MET A 21 0.945 -28.254 -17.669 1.00 1.43 C ATOM 298 SD MET A 21 -0.848 -28.333 -17.499 1.00 72.01 S ATOM 299 CE MET A 21 -1.154 -26.902 -16.466 1.00 33.42 C ATOM 0 H MET A 21 3.023 -25.801 -16.535 1.00 1.43 H new ATOM 0 HA MET A 21 3.310 -27.827 -18.564 1.00 25.33 H new ATOM 0 HB2 MET A 21 1.162 -26.147 -17.365 1.00 54.24 H new ATOM 0 HB3 MET A 21 0.910 -26.609 -19.037 1.00 54.24 H new ATOM 0 HG2 MET A 21 1.271 -29.006 -18.387 1.00 1.43 H new ATOM 0 HG3 MET A 21 1.408 -28.503 -16.714 1.00 1.43 H new ATOM 0 HE1 MET A 21 -2.221 -26.826 -16.257 1.00 33.42 H new ATOM 0 HE2 MET A 21 -0.607 -27.006 -15.529 1.00 33.42 H new ATOM 0 HE3 MET A 21 -0.820 -26.002 -16.983 1.00 33.42 H new ATOM 309 N GLY A 22 3.413 -24.653 -19.344 1.00 72.31 N ATOM 310 CA GLY A 22 3.697 -23.733 -20.430 1.00 22.41 C ATOM 311 C GLY A 22 2.916 -22.439 -20.313 1.00 64.51 C ATOM 312 O GLY A 22 2.307 -21.984 -21.281 1.00 43.12 O ATOM 0 H GLY A 22 3.367 -24.224 -18.420 1.00 72.31 H new ATOM 0 HA2 GLY A 22 4.764 -23.510 -20.443 1.00 22.41 H new ATOM 0 HA3 GLY A 22 3.460 -24.212 -21.380 1.00 22.41 H new ATOM 316 N PHE A 23 2.932 -21.846 -19.124 1.00 42.02 N ATOM 317 CA PHE A 23 2.218 -20.598 -18.883 1.00 52.33 C ATOM 318 C PHE A 23 3.051 -19.652 -18.023 1.00 55.20 C ATOM 319 O PHE A 23 4.158 -19.988 -17.605 1.00 64.43 O ATOM 320 CB PHE A 23 0.876 -20.876 -18.203 1.00 21.44 C ATOM 321 CG PHE A 23 -0.077 -21.663 -19.056 1.00 53.23 C ATOM 322 CD1 PHE A 23 -0.958 -21.017 -19.909 1.00 61.34 C ATOM 323 CD2 PHE A 23 -0.092 -23.047 -19.006 1.00 74.31 C ATOM 324 CE1 PHE A 23 -1.837 -21.739 -20.695 1.00 44.43 C ATOM 325 CE2 PHE A 23 -0.969 -23.774 -19.790 1.00 63.01 C ATOM 326 CZ PHE A 23 -1.841 -23.119 -20.637 1.00 12.44 C ATOM 0 H PHE A 23 3.432 -22.210 -18.312 1.00 42.02 H new ATOM 0 HA PHE A 23 2.037 -20.121 -19.846 1.00 52.33 H new ATOM 0 HB2 PHE A 23 1.054 -21.419 -17.275 1.00 21.44 H new ATOM 0 HB3 PHE A 23 0.411 -19.928 -17.933 1.00 21.44 H new ATOM 0 HD1 PHE A 23 -0.958 -19.938 -19.960 1.00 61.34 H new ATOM 0 HD2 PHE A 23 0.589 -23.565 -18.347 1.00 74.31 H new ATOM 0 HE1 PHE A 23 -2.520 -21.224 -21.354 1.00 44.43 H new ATOM 0 HE2 PHE A 23 -0.972 -24.853 -19.740 1.00 63.01 H new ATOM 0 HZ PHE A 23 -2.525 -23.685 -21.253 1.00 12.44 H new ATOM 336 N SER A 24 2.509 -18.466 -17.763 1.00 34.20 N ATOM 337 CA SER A 24 3.202 -17.469 -16.956 1.00 44.15 C ATOM 338 C SER A 24 2.214 -16.671 -16.111 1.00 24.55 C ATOM 339 O SER A 24 1.037 -17.020 -16.017 1.00 25.54 O ATOM 340 CB SER A 24 4.002 -16.523 -17.854 1.00 63.01 C ATOM 341 OG SER A 24 4.491 -17.199 -19.000 1.00 12.30 O ATOM 0 H SER A 24 1.592 -18.173 -18.100 1.00 34.20 H new ATOM 0 HA SER A 24 3.886 -17.991 -16.287 1.00 44.15 H new ATOM 0 HB2 SER A 24 3.372 -15.689 -18.162 1.00 63.01 H new ATOM 0 HB3 SER A 24 4.836 -16.102 -17.293 1.00 63.01 H new ATOM 0 HG SER A 24 4.997 -16.572 -19.558 1.00 12.30 H new ATOM 347 N ASP A 25 2.702 -15.599 -15.497 1.00 21.13 N ATOM 348 CA ASP A 25 1.863 -14.750 -14.659 1.00 21.12 C ATOM 349 C ASP A 25 2.035 -13.280 -15.030 1.00 21.41 C ATOM 350 O ASP A 25 1.930 -12.399 -14.177 1.00 70.35 O ATOM 351 CB ASP A 25 2.203 -14.959 -13.182 1.00 72.22 C ATOM 352 CG ASP A 25 3.679 -14.765 -12.894 1.00 55.14 C ATOM 353 OD1 ASP A 25 4.126 -13.600 -12.855 1.00 25.12 O ATOM 354 OD2 ASP A 25 4.386 -15.778 -12.710 1.00 12.33 O ATOM 0 H ASP A 25 3.674 -15.297 -15.564 1.00 21.13 H new ATOM 0 HA ASP A 25 0.823 -15.030 -14.828 1.00 21.12 H new ATOM 0 HB2 ASP A 25 1.623 -14.262 -12.577 1.00 72.22 H new ATOM 0 HB3 ASP A 25 1.907 -15.964 -12.883 1.00 72.22 H new ATOM 359 N GLU A 26 2.301 -13.025 -16.307 1.00 42.01 N ATOM 360 CA GLU A 26 2.490 -11.662 -16.790 1.00 13.14 C ATOM 361 C GLU A 26 1.323 -10.771 -16.372 1.00 5.21 C ATOM 362 O GLU A 26 0.183 -10.993 -16.776 1.00 12.51 O ATOM 363 CB GLU A 26 2.633 -11.652 -18.313 1.00 5.21 C ATOM 364 CG GLU A 26 3.933 -12.265 -18.806 1.00 23.33 C ATOM 365 CD GLU A 26 4.788 -11.279 -19.577 1.00 43.13 C ATOM 366 OE1 GLU A 26 4.292 -10.717 -20.576 1.00 0.23 O ATOM 367 OE2 GLU A 26 5.954 -11.069 -19.182 1.00 23.12 O ATOM 0 H GLU A 26 2.390 -13.744 -17.025 1.00 42.01 H new ATOM 0 HA GLU A 26 3.404 -11.269 -16.344 1.00 13.14 H new ATOM 0 HB2 GLU A 26 1.796 -12.195 -18.752 1.00 5.21 H new ATOM 0 HB3 GLU A 26 2.568 -10.624 -18.669 1.00 5.21 H new ATOM 0 HG2 GLU A 26 4.499 -12.642 -17.954 1.00 23.33 H new ATOM 0 HG3 GLU A 26 3.708 -13.121 -19.443 1.00 23.33 H new ATOM 374 N GLY A 27 1.619 -9.761 -15.559 1.00 23.12 N ATOM 375 CA GLY A 27 0.586 -8.852 -15.099 1.00 10.12 C ATOM 376 C GLY A 27 -0.160 -9.385 -13.891 1.00 43.25 C ATOM 377 O GLY A 27 -0.267 -8.707 -12.870 1.00 72.05 O ATOM 0 H GLY A 27 2.556 -9.557 -15.211 1.00 23.12 H new ATOM 0 HA2 GLY A 27 1.037 -7.891 -14.849 1.00 10.12 H new ATOM 0 HA3 GLY A 27 -0.121 -8.671 -15.908 1.00 10.12 H new ATOM 381 N GLY A 28 -0.678 -10.604 -14.009 1.00 14.45 N ATOM 382 CA GLY A 28 -1.413 -11.206 -12.911 1.00 51.43 C ATOM 383 C GLY A 28 -2.676 -11.906 -13.374 1.00 4.51 C ATOM 384 O GLY A 28 -3.753 -11.688 -12.819 1.00 43.41 O ATOM 0 H GLY A 28 -0.602 -11.185 -14.844 1.00 14.45 H new ATOM 0 HA2 GLY A 28 -0.771 -11.922 -12.398 1.00 51.43 H new ATOM 0 HA3 GLY A 28 -1.673 -10.435 -12.186 1.00 51.43 H new ATOM 388 N TRP A 29 -2.544 -12.747 -14.393 1.00 41.30 N ATOM 389 CA TRP A 29 -3.684 -13.480 -14.931 1.00 54.41 C ATOM 390 C TRP A 29 -3.759 -14.882 -14.338 1.00 14.04 C ATOM 391 O TRP A 29 -4.808 -15.527 -14.374 1.00 12.12 O ATOM 392 CB TRP A 29 -3.591 -13.562 -16.456 1.00 4.14 C ATOM 393 CG TRP A 29 -2.580 -14.559 -16.936 1.00 23.05 C ATOM 394 CD1 TRP A 29 -1.242 -14.349 -17.115 1.00 12.24 C ATOM 395 CD2 TRP A 29 -2.826 -15.922 -17.299 1.00 40.32 C ATOM 396 NE1 TRP A 29 -0.642 -15.499 -17.568 1.00 12.11 N ATOM 397 CE2 TRP A 29 -1.592 -16.478 -17.689 1.00 20.55 C ATOM 398 CE3 TRP A 29 -3.968 -16.726 -17.332 1.00 70.30 C ATOM 399 CZ2 TRP A 29 -1.471 -17.801 -18.106 1.00 31.32 C ATOM 400 CZ3 TRP A 29 -3.846 -18.039 -17.747 1.00 15.13 C ATOM 401 CH2 TRP A 29 -2.606 -18.566 -18.128 1.00 64.22 C ATOM 0 H TRP A 29 -1.659 -12.938 -14.863 1.00 41.30 H new ATOM 0 HA TRP A 29 -4.591 -12.941 -14.658 1.00 54.41 H new ATOM 0 HB2 TRP A 29 -4.569 -13.824 -16.859 1.00 4.14 H new ATOM 0 HB3 TRP A 29 -3.337 -12.578 -16.851 1.00 4.14 H new ATOM 0 HD1 TRP A 29 -0.731 -13.416 -16.928 1.00 12.24 H new ATOM 0 HE1 TRP A 29 0.350 -15.606 -17.780 1.00 12.11 H new ATOM 0 HE3 TRP A 29 -4.929 -16.329 -17.039 1.00 70.30 H new ATOM 0 HZ2 TRP A 29 -0.516 -18.209 -18.402 1.00 31.32 H new ATOM 0 HZ3 TRP A 29 -4.722 -18.669 -17.778 1.00 15.13 H new ATOM 0 HH2 TRP A 29 -2.544 -19.596 -18.446 1.00 64.22 H new ATOM 412 N LEU A 30 -2.642 -15.349 -13.791 1.00 72.05 N ATOM 413 CA LEU A 30 -2.582 -16.676 -13.189 1.00 62.42 C ATOM 414 C LEU A 30 -2.601 -16.585 -11.667 1.00 1.13 C ATOM 415 O LEU A 30 -2.508 -17.597 -10.971 1.00 72.03 O ATOM 416 CB LEU A 30 -1.322 -17.411 -13.652 1.00 33.04 C ATOM 417 CG LEU A 30 -1.337 -18.932 -13.496 1.00 74.15 C ATOM 418 CD1 LEU A 30 -2.429 -19.546 -14.359 1.00 52.21 C ATOM 419 CD2 LEU A 30 0.020 -19.518 -13.855 1.00 25.33 C ATOM 0 H LEU A 30 -1.766 -14.828 -13.752 1.00 72.05 H new ATOM 0 HA LEU A 30 -3.461 -17.235 -13.512 1.00 62.42 H new ATOM 0 HB2 LEU A 30 -1.153 -17.175 -14.703 1.00 33.04 H new ATOM 0 HB3 LEU A 30 -0.471 -17.017 -13.096 1.00 33.04 H new ATOM 0 HG LEU A 30 -1.549 -19.169 -12.453 1.00 74.15 H new ATOM 0 HD11 LEU A 30 -2.425 -20.629 -14.235 1.00 52.21 H new ATOM 0 HD12 LEU A 30 -3.398 -19.150 -14.056 1.00 52.21 H new ATOM 0 HD13 LEU A 30 -2.248 -19.300 -15.405 1.00 52.21 H new ATOM 0 HD21 LEU A 30 -0.009 -20.601 -13.738 1.00 25.33 H new ATOM 0 HD22 LEU A 30 0.261 -19.271 -14.889 1.00 25.33 H new ATOM 0 HD23 LEU A 30 0.782 -19.102 -13.195 1.00 25.33 H new ATOM 431 N THR A 31 -2.724 -15.365 -11.154 1.00 2.53 N ATOM 432 CA THR A 31 -2.756 -15.140 -9.714 1.00 34.40 C ATOM 433 C THR A 31 -4.188 -15.137 -9.190 1.00 60.43 C ATOM 434 O THR A 31 -4.425 -15.362 -8.003 1.00 51.42 O ATOM 435 CB THR A 31 -2.081 -13.808 -9.337 1.00 73.05 C ATOM 436 OG1 THR A 31 -2.144 -13.610 -7.921 1.00 33.13 O ATOM 437 CG2 THR A 31 -2.752 -12.642 -10.048 1.00 2.12 C ATOM 0 H THR A 31 -2.803 -14.517 -11.715 1.00 2.53 H new ATOM 0 HA THR A 31 -2.205 -15.960 -9.254 1.00 34.40 H new ATOM 0 HB THR A 31 -1.038 -13.853 -9.650 1.00 73.05 H new ATOM 0 HG1 THR A 31 -1.711 -12.762 -7.690 1.00 33.13 H new ATOM 0 HG21 THR A 31 -2.259 -11.712 -9.767 1.00 2.12 H new ATOM 0 HG22 THR A 31 -2.676 -12.781 -11.126 1.00 2.12 H new ATOM 0 HG23 THR A 31 -3.803 -12.597 -9.761 1.00 2.12 H new ATOM 445 N ARG A 32 -5.139 -14.883 -10.083 1.00 11.21 N ATOM 446 CA ARG A 32 -6.548 -14.850 -9.710 1.00 31.33 C ATOM 447 C ARG A 32 -7.334 -15.922 -10.459 1.00 61.15 C ATOM 448 O ARG A 32 -8.362 -16.403 -9.980 1.00 63.03 O ATOM 449 CB ARG A 32 -7.143 -13.471 -9.999 1.00 43.20 C ATOM 450 CG ARG A 32 -6.398 -12.332 -9.321 1.00 61.33 C ATOM 451 CD ARG A 32 -7.104 -11.882 -8.052 1.00 21.42 C ATOM 452 NE ARG A 32 -7.634 -10.527 -8.171 1.00 51.14 N ATOM 453 CZ ARG A 32 -6.876 -9.437 -8.150 1.00 3.42 C ATOM 454 NH1 ARG A 32 -5.561 -9.542 -8.014 1.00 60.14 N ATOM 455 NH2 ARG A 32 -7.432 -8.237 -8.264 1.00 72.44 N ATOM 0 H ARG A 32 -4.959 -14.697 -11.070 1.00 11.21 H new ATOM 0 HA ARG A 32 -6.619 -15.052 -8.641 1.00 31.33 H new ATOM 0 HB2 ARG A 32 -7.144 -13.303 -11.076 1.00 43.20 H new ATOM 0 HB3 ARG A 32 -8.183 -13.458 -9.674 1.00 43.20 H new ATOM 0 HG2 ARG A 32 -5.384 -12.651 -9.081 1.00 61.33 H new ATOM 0 HG3 ARG A 32 -6.313 -11.491 -10.009 1.00 61.33 H new ATOM 0 HD2 ARG A 32 -7.918 -12.571 -7.826 1.00 21.42 H new ATOM 0 HD3 ARG A 32 -6.408 -11.926 -7.215 1.00 21.42 H new ATOM 0 HE ARG A 32 -8.642 -10.411 -8.276 1.00 51.14 H new ATOM 0 HH11 ARG A 32 -5.129 -10.462 -7.925 1.00 60.14 H new ATOM 0 HH12 ARG A 32 -4.981 -8.703 -7.998 1.00 60.14 H new ATOM 0 HH21 ARG A 32 -8.443 -8.151 -8.368 1.00 72.44 H new ATOM 0 HH22 ARG A 32 -6.848 -7.401 -8.248 1.00 72.44 H new ATOM 469 N LEU A 33 -6.844 -16.292 -11.638 1.00 12.52 N ATOM 470 CA LEU A 33 -7.500 -17.306 -12.455 1.00 34.41 C ATOM 471 C LEU A 33 -7.770 -18.569 -11.643 1.00 23.13 C ATOM 472 O LEU A 33 -8.891 -19.079 -11.621 1.00 63.10 O ATOM 473 CB LEU A 33 -6.639 -17.644 -13.673 1.00 50.11 C ATOM 474 CG LEU A 33 -6.941 -18.976 -14.360 1.00 63.21 C ATOM 475 CD1 LEU A 33 -8.395 -19.032 -14.801 1.00 32.33 C ATOM 476 CD2 LEU A 33 -6.013 -19.186 -15.548 1.00 52.32 C ATOM 0 H LEU A 33 -5.995 -15.904 -12.049 1.00 12.52 H new ATOM 0 HA LEU A 33 -8.454 -16.902 -12.793 1.00 34.41 H new ATOM 0 HB2 LEU A 33 -6.753 -16.846 -14.406 1.00 50.11 H new ATOM 0 HB3 LEU A 33 -5.594 -17.646 -13.365 1.00 50.11 H new ATOM 0 HG LEU A 33 -6.769 -19.779 -13.644 1.00 63.21 H new ATOM 0 HD11 LEU A 33 -8.591 -19.987 -15.288 1.00 32.33 H new ATOM 0 HD12 LEU A 33 -9.043 -18.928 -13.931 1.00 32.33 H new ATOM 0 HD13 LEU A 33 -8.594 -18.220 -15.501 1.00 32.33 H new ATOM 0 HD21 LEU A 33 -6.242 -20.139 -16.025 1.00 52.32 H new ATOM 0 HD22 LEU A 33 -6.153 -18.378 -16.266 1.00 52.32 H new ATOM 0 HD23 LEU A 33 -4.978 -19.192 -15.205 1.00 52.32 H new ATOM 488 N LEU A 34 -6.736 -19.068 -10.974 1.00 42.30 N ATOM 489 CA LEU A 34 -6.861 -20.270 -10.157 1.00 63.14 C ATOM 490 C LEU A 34 -7.859 -20.057 -9.024 1.00 20.21 C ATOM 491 O LEU A 34 -8.723 -20.898 -8.780 1.00 74.51 O ATOM 492 CB LEU A 34 -5.498 -20.665 -9.585 1.00 34.40 C ATOM 493 CG LEU A 34 -4.513 -21.294 -10.571 1.00 2.31 C ATOM 494 CD1 LEU A 34 -5.161 -22.458 -11.305 1.00 3.43 C ATOM 495 CD2 LEU A 34 -4.009 -20.252 -11.559 1.00 15.40 C ATOM 0 H LEU A 34 -5.802 -18.659 -10.981 1.00 42.30 H new ATOM 0 HA LEU A 34 -7.229 -21.075 -10.793 1.00 63.14 H new ATOM 0 HB2 LEU A 34 -5.035 -19.776 -9.157 1.00 34.40 H new ATOM 0 HB3 LEU A 34 -5.659 -21.366 -8.766 1.00 34.40 H new ATOM 0 HG LEU A 34 -3.660 -21.676 -10.009 1.00 2.31 H new ATOM 0 HD11 LEU A 34 -4.445 -22.893 -12.002 1.00 3.43 H new ATOM 0 HD12 LEU A 34 -5.471 -23.215 -10.585 1.00 3.43 H new ATOM 0 HD13 LEU A 34 -6.032 -22.102 -11.855 1.00 3.43 H new ATOM 0 HD21 LEU A 34 -3.309 -20.717 -12.253 1.00 15.40 H new ATOM 0 HD22 LEU A 34 -4.851 -19.840 -12.115 1.00 15.40 H new ATOM 0 HD23 LEU A 34 -3.505 -19.451 -11.018 1.00 15.40 H new ATOM 507 N GLN A 35 -7.734 -18.926 -8.337 1.00 20.42 N ATOM 508 CA GLN A 35 -8.627 -18.603 -7.230 1.00 44.12 C ATOM 509 C GLN A 35 -10.086 -18.695 -7.663 1.00 51.23 C ATOM 510 O GLN A 35 -10.956 -19.073 -6.878 1.00 21.11 O ATOM 511 CB GLN A 35 -8.327 -17.200 -6.699 1.00 53.01 C ATOM 512 CG GLN A 35 -7.081 -17.131 -5.832 1.00 2.13 C ATOM 513 CD GLN A 35 -6.767 -15.721 -5.372 1.00 41.22 C ATOM 514 OE1 GLN A 35 -6.291 -14.893 -6.150 1.00 72.42 O ATOM 515 NE2 GLN A 35 -7.032 -15.439 -4.102 1.00 13.10 N ATOM 0 H GLN A 35 -7.024 -18.219 -8.527 1.00 20.42 H new ATOM 0 HA GLN A 35 -8.457 -19.329 -6.435 1.00 44.12 H new ATOM 0 HB2 GLN A 35 -8.211 -16.519 -7.542 1.00 53.01 H new ATOM 0 HB3 GLN A 35 -9.182 -16.849 -6.121 1.00 53.01 H new ATOM 0 HG2 GLN A 35 -7.213 -17.772 -4.961 1.00 2.13 H new ATOM 0 HG3 GLN A 35 -6.232 -17.524 -6.391 1.00 2.13 H new ATOM 0 HE21 GLN A 35 -7.426 -16.155 -3.492 1.00 13.10 H new ATOM 0 HE22 GLN A 35 -6.841 -14.506 -3.736 1.00 13.10 H new ATOM 524 N THR A 36 -10.349 -18.346 -8.919 1.00 42.20 N ATOM 525 CA THR A 36 -11.703 -18.387 -9.457 1.00 22.35 C ATOM 526 C THR A 36 -12.108 -19.812 -9.818 1.00 4.13 C ATOM 527 O THR A 36 -13.294 -20.135 -9.877 1.00 31.44 O ATOM 528 CB THR A 36 -11.839 -17.495 -10.705 1.00 14.25 C ATOM 529 OG1 THR A 36 -10.543 -17.127 -11.188 1.00 2.31 O ATOM 530 CG2 THR A 36 -12.643 -16.242 -10.389 1.00 20.32 C ATOM 0 H THR A 36 -9.641 -18.032 -9.583 1.00 42.20 H new ATOM 0 HA THR A 36 -12.365 -18.011 -8.677 1.00 22.35 H new ATOM 0 HB THR A 36 -12.365 -18.061 -11.474 1.00 14.25 H new ATOM 0 HG1 THR A 36 -10.146 -17.883 -11.668 1.00 2.31 H new ATOM 0 HG21 THR A 36 -12.726 -15.627 -11.285 1.00 20.32 H new ATOM 0 HG22 THR A 36 -13.639 -16.525 -10.050 1.00 20.32 H new ATOM 0 HG23 THR A 36 -12.140 -15.675 -9.605 1.00 20.32 H new ATOM 538 N LYS A 37 -11.114 -20.661 -10.058 1.00 75.13 N ATOM 539 CA LYS A 37 -11.366 -22.053 -10.412 1.00 32.10 C ATOM 540 C LYS A 37 -11.126 -22.970 -9.217 1.00 60.10 C ATOM 541 O LYS A 37 -11.027 -24.187 -9.367 1.00 32.11 O ATOM 542 CB LYS A 37 -10.471 -22.474 -11.580 1.00 21.05 C ATOM 543 CG LYS A 37 -10.640 -21.611 -12.818 1.00 11.12 C ATOM 544 CD LYS A 37 -12.092 -21.552 -13.262 1.00 40.22 C ATOM 545 CE LYS A 37 -12.210 -21.182 -14.733 1.00 31.31 C ATOM 546 NZ LYS A 37 -13.619 -21.249 -15.210 1.00 71.22 N ATOM 0 H LYS A 37 -10.127 -20.409 -10.014 1.00 75.13 H new ATOM 0 HA LYS A 37 -12.410 -22.142 -10.712 1.00 32.10 H new ATOM 0 HB2 LYS A 37 -9.430 -22.436 -11.261 1.00 21.05 H new ATOM 0 HB3 LYS A 37 -10.688 -23.511 -11.838 1.00 21.05 H new ATOM 0 HG2 LYS A 37 -10.280 -20.603 -12.612 1.00 11.12 H new ATOM 0 HG3 LYS A 37 -10.027 -22.009 -13.627 1.00 11.12 H new ATOM 0 HD2 LYS A 37 -12.566 -22.518 -13.090 1.00 40.22 H new ATOM 0 HD3 LYS A 37 -12.629 -20.821 -12.658 1.00 40.22 H new ATOM 0 HE2 LYS A 37 -11.822 -20.175 -14.887 1.00 31.31 H new ATOM 0 HE3 LYS A 37 -11.593 -21.855 -15.328 1.00 31.31 H new ATOM 0 HZ1 LYS A 37 -13.657 -20.990 -16.217 1.00 71.22 H new ATOM 0 HZ2 LYS A 37 -13.981 -22.216 -15.087 1.00 71.22 H new ATOM 0 HZ3 LYS A 37 -14.204 -20.588 -14.660 1.00 71.22 H new ATOM 560 N ASN A 38 -11.034 -22.377 -8.031 1.00 34.41 N ATOM 561 CA ASN A 38 -10.807 -23.142 -6.810 1.00 3.10 C ATOM 562 C ASN A 38 -9.482 -23.895 -6.879 1.00 61.40 C ATOM 563 O ASN A 38 -9.393 -25.055 -6.474 1.00 53.21 O ATOM 564 CB ASN A 38 -11.955 -24.126 -6.578 1.00 62.44 C ATOM 565 CG ASN A 38 -12.117 -24.491 -5.115 1.00 75.14 C ATOM 566 OD1 ASN A 38 -11.963 -25.651 -4.732 1.00 41.24 O ATOM 567 ND2 ASN A 38 -12.431 -23.499 -4.290 1.00 34.30 N ATOM 0 H ASN A 38 -11.113 -21.370 -7.889 1.00 34.41 H new ATOM 0 HA ASN A 38 -10.764 -22.442 -5.975 1.00 3.10 H new ATOM 0 HB2 ASN A 38 -12.884 -23.690 -6.946 1.00 62.44 H new ATOM 0 HB3 ASN A 38 -11.777 -25.031 -7.158 1.00 62.44 H new ATOM 0 HD21 ASN A 38 -12.554 -23.683 -3.294 1.00 34.30 H new ATOM 0 HD22 ASN A 38 -12.549 -22.553 -4.652 1.00 34.30 H new ATOM 574 N TYR A 39 -8.455 -23.229 -7.394 1.00 2.32 N ATOM 575 CA TYR A 39 -7.135 -23.835 -7.518 1.00 23.43 C ATOM 576 C TYR A 39 -7.199 -25.117 -8.343 1.00 54.33 C ATOM 577 O TYR A 39 -6.807 -26.188 -7.880 1.00 3.42 O ATOM 578 CB TYR A 39 -6.556 -24.136 -6.134 1.00 14.32 C ATOM 579 CG TYR A 39 -6.791 -23.032 -5.127 1.00 61.31 C ATOM 580 CD1 TYR A 39 -6.360 -21.735 -5.376 1.00 12.05 C ATOM 581 CD2 TYR A 39 -7.444 -23.287 -3.928 1.00 34.15 C ATOM 582 CE1 TYR A 39 -6.572 -20.724 -4.458 1.00 63.11 C ATOM 583 CE2 TYR A 39 -7.662 -22.282 -3.005 1.00 24.11 C ATOM 584 CZ TYR A 39 -7.223 -21.002 -3.275 1.00 20.55 C ATOM 585 OH TYR A 39 -7.437 -19.998 -2.359 1.00 2.13 O ATOM 0 H TYR A 39 -8.511 -22.268 -7.733 1.00 2.32 H new ATOM 0 HA TYR A 39 -6.485 -23.126 -8.031 1.00 23.43 H new ATOM 0 HB2 TYR A 39 -6.996 -25.059 -5.758 1.00 14.32 H new ATOM 0 HB3 TYR A 39 -5.484 -24.309 -6.227 1.00 14.32 H new ATOM 0 HD1 TYR A 39 -5.851 -21.513 -6.302 1.00 12.05 H new ATOM 0 HD2 TYR A 39 -7.787 -24.288 -3.713 1.00 34.15 H new ATOM 0 HE1 TYR A 39 -6.229 -19.721 -4.666 1.00 63.11 H new ATOM 0 HE2 TYR A 39 -8.173 -22.497 -2.078 1.00 24.11 H new ATOM 0 HH TYR A 39 -7.909 -20.361 -1.581 1.00 2.13 H new ATOM 595 N ASP A 40 -7.697 -24.998 -9.569 1.00 71.12 N ATOM 596 CA ASP A 40 -7.812 -26.146 -10.462 1.00 14.51 C ATOM 597 C ASP A 40 -6.810 -26.045 -11.608 1.00 32.44 C ATOM 598 O ASP A 40 -6.434 -24.949 -12.022 1.00 53.52 O ATOM 599 CB ASP A 40 -9.234 -26.245 -11.018 1.00 64.12 C ATOM 600 CG ASP A 40 -10.062 -27.295 -10.305 1.00 14.14 C ATOM 601 OD1 ASP A 40 -9.863 -27.480 -9.086 1.00 61.20 O ATOM 602 OD2 ASP A 40 -10.910 -27.932 -10.965 1.00 11.12 O ATOM 0 H ASP A 40 -8.027 -24.119 -9.967 1.00 71.12 H new ATOM 0 HA ASP A 40 -7.591 -27.046 -9.888 1.00 14.51 H new ATOM 0 HB2 ASP A 40 -9.725 -25.276 -10.927 1.00 64.12 H new ATOM 0 HB3 ASP A 40 -9.190 -26.482 -12.081 1.00 64.12 H new ATOM 607 N ILE A 41 -6.381 -27.197 -12.114 1.00 10.53 N ATOM 608 CA ILE A 41 -5.423 -27.238 -13.211 1.00 44.12 C ATOM 609 C ILE A 41 -6.119 -27.519 -14.538 1.00 64.45 C ATOM 610 O ILE A 41 -5.685 -27.051 -15.590 1.00 55.32 O ATOM 611 CB ILE A 41 -4.341 -28.309 -12.974 1.00 53.42 C ATOM 612 CG1 ILE A 41 -3.940 -28.341 -11.498 1.00 62.31 C ATOM 613 CG2 ILE A 41 -3.129 -28.040 -13.853 1.00 24.22 C ATOM 614 CD1 ILE A 41 -3.427 -27.015 -10.982 1.00 64.21 C ATOM 0 H ILE A 41 -6.682 -28.113 -11.782 1.00 10.53 H new ATOM 0 HA ILE A 41 -4.949 -26.257 -13.253 1.00 44.12 H new ATOM 0 HB ILE A 41 -4.749 -29.284 -13.241 1.00 53.42 H new ATOM 0 HG12 ILE A 41 -4.801 -28.645 -10.903 1.00 62.31 H new ATOM 0 HG13 ILE A 41 -3.170 -29.099 -11.355 1.00 62.31 H new ATOM 0 HG21 ILE A 41 -2.373 -28.805 -13.674 1.00 24.22 H new ATOM 0 HG22 ILE A 41 -3.427 -28.062 -14.901 1.00 24.22 H new ATOM 0 HG23 ILE A 41 -2.717 -27.060 -13.614 1.00 24.22 H new ATOM 0 HD11 ILE A 41 -3.162 -27.112 -9.929 1.00 64.21 H new ATOM 0 HD12 ILE A 41 -2.547 -26.719 -11.552 1.00 64.21 H new ATOM 0 HD13 ILE A 41 -4.203 -26.257 -11.092 1.00 64.21 H new ATOM 626 N GLY A 42 -7.202 -28.288 -14.481 1.00 54.32 N ATOM 627 CA GLY A 42 -7.943 -28.617 -15.685 1.00 64.21 C ATOM 628 C GLY A 42 -8.896 -27.514 -16.100 1.00 2.11 C ATOM 629 O GLY A 42 -9.329 -27.459 -17.250 1.00 44.55 O ATOM 0 H GLY A 42 -7.580 -28.689 -13.623 1.00 54.32 H new ATOM 0 HA2 GLY A 42 -7.242 -28.812 -16.497 1.00 64.21 H new ATOM 0 HA3 GLY A 42 -8.505 -29.536 -15.522 1.00 64.21 H new ATOM 633 N ALA A 43 -9.225 -26.634 -15.160 1.00 31.22 N ATOM 634 CA ALA A 43 -10.133 -25.527 -15.434 1.00 21.22 C ATOM 635 C ALA A 43 -9.371 -24.300 -15.923 1.00 23.31 C ATOM 636 O ALA A 43 -9.849 -23.563 -16.784 1.00 74.22 O ATOM 637 CB ALA A 43 -10.941 -25.188 -14.190 1.00 55.55 C ATOM 0 H ALA A 43 -8.876 -26.666 -14.202 1.00 31.22 H new ATOM 0 HA ALA A 43 -10.816 -25.837 -16.225 1.00 21.22 H new ATOM 0 HB1 ALA A 43 -11.615 -24.360 -14.408 1.00 55.55 H new ATOM 0 HB2 ALA A 43 -11.522 -26.058 -13.885 1.00 55.55 H new ATOM 0 HB3 ALA A 43 -10.265 -24.903 -13.384 1.00 55.55 H new ATOM 643 N ALA A 44 -8.182 -24.087 -15.367 1.00 74.32 N ATOM 644 CA ALA A 44 -7.354 -22.950 -15.748 1.00 63.32 C ATOM 645 C ALA A 44 -6.656 -23.201 -17.081 1.00 35.30 C ATOM 646 O ALA A 44 -6.140 -22.275 -17.707 1.00 41.13 O ATOM 647 CB ALA A 44 -6.330 -22.656 -14.662 1.00 2.01 C ATOM 0 H ALA A 44 -7.771 -24.687 -14.652 1.00 74.32 H new ATOM 0 HA ALA A 44 -8.003 -22.082 -15.865 1.00 63.32 H new ATOM 0 HB1 ALA A 44 -5.718 -21.804 -14.960 1.00 2.01 H new ATOM 0 HB2 ALA A 44 -6.845 -22.425 -13.730 1.00 2.01 H new ATOM 0 HB3 ALA A 44 -5.692 -23.528 -14.518 1.00 2.01 H new ATOM 653 N LEU A 45 -6.644 -24.459 -17.509 1.00 54.33 N ATOM 654 CA LEU A 45 -6.009 -24.832 -18.769 1.00 14.14 C ATOM 655 C LEU A 45 -6.865 -24.405 -19.957 1.00 44.22 C ATOM 656 O LEU A 45 -6.363 -24.244 -21.070 1.00 4.42 O ATOM 657 CB LEU A 45 -5.771 -26.342 -18.814 1.00 65.11 C ATOM 658 CG LEU A 45 -4.451 -26.831 -18.216 1.00 31.33 C ATOM 659 CD1 LEU A 45 -4.511 -28.326 -17.942 1.00 64.15 C ATOM 660 CD2 LEU A 45 -3.290 -26.503 -19.143 1.00 54.53 C ATOM 0 H LEU A 45 -7.066 -25.237 -17.003 1.00 54.33 H new ATOM 0 HA LEU A 45 -5.050 -24.317 -18.832 1.00 14.14 H new ATOM 0 HB2 LEU A 45 -6.589 -26.835 -18.289 1.00 65.11 H new ATOM 0 HB3 LEU A 45 -5.818 -26.666 -19.854 1.00 65.11 H new ATOM 0 HG LEU A 45 -4.290 -26.315 -17.270 1.00 31.33 H new ATOM 0 HD11 LEU A 45 -3.563 -28.656 -17.517 1.00 64.15 H new ATOM 0 HD12 LEU A 45 -5.317 -28.535 -17.238 1.00 64.15 H new ATOM 0 HD13 LEU A 45 -4.696 -28.860 -18.874 1.00 64.15 H new ATOM 0 HD21 LEU A 45 -2.359 -26.859 -18.701 1.00 54.53 H new ATOM 0 HD22 LEU A 45 -3.444 -26.991 -20.105 1.00 54.53 H new ATOM 0 HD23 LEU A 45 -3.234 -25.424 -19.288 1.00 54.53 H new ATOM 672 N ASP A 46 -8.157 -24.221 -19.713 1.00 75.25 N ATOM 673 CA ASP A 46 -9.082 -23.809 -20.763 1.00 34.21 C ATOM 674 C ASP A 46 -9.556 -22.377 -20.538 1.00 14.21 C ATOM 675 O ASP A 46 -10.621 -21.981 -21.014 1.00 31.11 O ATOM 676 CB ASP A 46 -10.283 -24.755 -20.814 1.00 14.11 C ATOM 677 CG ASP A 46 -10.538 -25.293 -22.208 1.00 63.22 C ATOM 678 OD1 ASP A 46 -9.806 -26.212 -22.632 1.00 70.43 O ATOM 679 OD2 ASP A 46 -11.469 -24.796 -22.875 1.00 42.20 O ATOM 0 H ASP A 46 -8.588 -24.350 -18.798 1.00 75.25 H new ATOM 0 HA ASP A 46 -8.554 -23.853 -21.716 1.00 34.21 H new ATOM 0 HB2 ASP A 46 -10.115 -25.588 -20.131 1.00 14.11 H new ATOM 0 HB3 ASP A 46 -11.171 -24.229 -20.463 1.00 14.11 H new ATOM 684 N THR A 47 -8.759 -21.603 -19.808 1.00 13.31 N ATOM 685 CA THR A 47 -9.098 -20.215 -19.518 1.00 21.24 C ATOM 686 C THR A 47 -8.170 -19.257 -20.255 1.00 43.10 C ATOM 687 O THR A 47 -8.112 -18.068 -19.940 1.00 14.12 O ATOM 688 CB THR A 47 -9.024 -19.923 -18.007 1.00 23.20 C ATOM 689 OG1 THR A 47 -9.560 -21.026 -17.268 1.00 32.01 O ATOM 690 CG2 THR A 47 -9.790 -18.655 -17.663 1.00 2.22 C ATOM 0 H THR A 47 -7.874 -21.914 -19.407 1.00 13.31 H new ATOM 0 HA THR A 47 -10.121 -20.061 -19.861 1.00 21.24 H new ATOM 0 HB THR A 47 -7.977 -19.780 -17.738 1.00 23.20 H new ATOM 0 HG1 THR A 47 -9.161 -21.861 -17.591 1.00 32.01 H new ATOM 0 HG21 THR A 47 -9.724 -18.469 -16.591 1.00 2.22 H new ATOM 0 HG22 THR A 47 -9.360 -17.812 -18.205 1.00 2.22 H new ATOM 0 HG23 THR A 47 -10.836 -18.773 -17.947 1.00 2.22 H new ATOM 698 N ILE A 48 -7.445 -19.781 -21.238 1.00 34.01 N ATOM 699 CA ILE A 48 -6.521 -18.970 -22.021 1.00 72.42 C ATOM 700 C ILE A 48 -6.904 -18.972 -23.497 1.00 41.03 C ATOM 701 O ILE A 48 -6.667 -17.997 -24.210 1.00 60.44 O ATOM 702 CB ILE A 48 -5.072 -19.472 -21.878 1.00 10.44 C ATOM 703 CG1 ILE A 48 -4.880 -20.164 -20.527 1.00 33.13 C ATOM 704 CG2 ILE A 48 -4.094 -18.316 -22.030 1.00 14.11 C ATOM 705 CD1 ILE A 48 -5.181 -21.646 -20.559 1.00 72.24 C ATOM 0 H ILE A 48 -7.480 -20.763 -21.511 1.00 34.01 H new ATOM 0 HA ILE A 48 -6.585 -17.954 -21.632 1.00 72.42 H new ATOM 0 HB ILE A 48 -4.874 -20.197 -22.668 1.00 10.44 H new ATOM 0 HG12 ILE A 48 -3.852 -20.017 -20.196 1.00 33.13 H new ATOM 0 HG13 ILE A 48 -5.524 -19.687 -19.789 1.00 33.13 H new ATOM 0 HG21 ILE A 48 -3.074 -18.686 -21.926 1.00 14.11 H new ATOM 0 HG22 ILE A 48 -4.217 -17.862 -23.013 1.00 14.11 H new ATOM 0 HG23 ILE A 48 -4.289 -17.570 -21.259 1.00 14.11 H new ATOM 0 HD11 ILE A 48 -5.024 -22.071 -19.568 1.00 72.24 H new ATOM 0 HD12 ILE A 48 -6.217 -21.800 -20.860 1.00 72.24 H new ATOM 0 HD13 ILE A 48 -4.519 -22.136 -21.273 1.00 72.24 H new ATOM 717 N GLN A 49 -7.498 -20.072 -23.948 1.00 32.23 N ATOM 718 CA GLN A 49 -7.915 -20.200 -25.339 1.00 41.42 C ATOM 719 C GLN A 49 -8.744 -18.995 -25.772 1.00 2.42 C ATOM 720 O GLN A 49 -8.565 -18.468 -26.870 1.00 51.22 O ATOM 721 CB GLN A 49 -8.720 -21.485 -25.537 1.00 13.02 C ATOM 722 CG GLN A 49 -8.029 -22.725 -24.994 1.00 70.54 C ATOM 723 CD GLN A 49 -6.617 -22.885 -25.523 1.00 32.00 C ATOM 724 OE1 GLN A 49 -6.413 -23.225 -26.689 1.00 32.13 O ATOM 725 NE2 GLN A 49 -5.633 -22.639 -24.666 1.00 63.53 N ATOM 0 H GLN A 49 -7.701 -20.888 -23.370 1.00 32.23 H new ATOM 0 HA GLN A 49 -7.019 -20.243 -25.958 1.00 41.42 H new ATOM 0 HB2 GLN A 49 -9.689 -21.376 -25.049 1.00 13.02 H new ATOM 0 HB3 GLN A 49 -8.913 -21.623 -26.601 1.00 13.02 H new ATOM 0 HG2 GLN A 49 -8.002 -22.674 -23.906 1.00 70.54 H new ATOM 0 HG3 GLN A 49 -8.614 -23.607 -25.257 1.00 70.54 H new ATOM 0 HE21 GLN A 49 -5.848 -22.360 -23.709 1.00 63.53 H new ATOM 0 HE22 GLN A 49 -4.662 -22.729 -24.965 1.00 63.53 H new ATOM 734 N TYR A 50 -9.650 -18.564 -24.902 1.00 14.31 N ATOM 735 CA TYR A 50 -10.509 -17.422 -25.195 1.00 71.42 C ATOM 736 C TYR A 50 -11.294 -16.999 -23.957 1.00 43.43 C ATOM 737 O TYR A 50 -11.849 -17.834 -23.244 1.00 71.34 O ATOM 738 CB TYR A 50 -11.474 -17.762 -26.333 1.00 22.25 C ATOM 739 CG TYR A 50 -12.567 -18.726 -25.931 1.00 73.33 C ATOM 740 CD1 TYR A 50 -13.762 -18.267 -25.392 1.00 14.11 C ATOM 741 CD2 TYR A 50 -12.405 -20.097 -26.093 1.00 15.13 C ATOM 742 CE1 TYR A 50 -14.764 -19.144 -25.023 1.00 63.33 C ATOM 743 CE2 TYR A 50 -13.402 -20.982 -25.728 1.00 40.33 C ATOM 744 CZ TYR A 50 -14.579 -20.501 -25.194 1.00 1.44 C ATOM 745 OH TYR A 50 -15.575 -21.378 -24.829 1.00 45.30 O ATOM 0 H TYR A 50 -9.809 -18.988 -23.988 1.00 14.31 H new ATOM 0 HA TYR A 50 -9.874 -16.591 -25.502 1.00 71.42 H new ATOM 0 HB2 TYR A 50 -11.929 -16.842 -26.700 1.00 22.25 H new ATOM 0 HB3 TYR A 50 -10.910 -18.190 -27.161 1.00 22.25 H new ATOM 0 HD1 TYR A 50 -13.911 -17.206 -25.259 1.00 14.11 H new ATOM 0 HD2 TYR A 50 -11.485 -20.477 -26.511 1.00 15.13 H new ATOM 0 HE1 TYR A 50 -15.686 -18.770 -24.603 1.00 63.33 H new ATOM 0 HE2 TYR A 50 -13.260 -22.044 -25.860 1.00 40.33 H new ATOM 0 HH TYR A 50 -15.287 -22.296 -25.015 1.00 45.30 H new ATOM 755 N SER A 51 -11.335 -15.693 -23.709 1.00 21.50 N ATOM 756 CA SER A 51 -12.048 -15.157 -22.556 1.00 14.10 C ATOM 757 C SER A 51 -12.025 -13.631 -22.565 1.00 31.45 C ATOM 758 O SER A 51 -13.030 -12.985 -22.862 1.00 43.32 O ATOM 759 CB SER A 51 -11.430 -15.680 -21.258 1.00 72.42 C ATOM 760 OG SER A 51 -10.016 -15.717 -21.345 1.00 52.22 O ATOM 0 H SER A 51 -10.883 -14.988 -24.291 1.00 21.50 H new ATOM 0 HA SER A 51 -13.085 -15.488 -22.615 1.00 14.10 H new ATOM 0 HB2 SER A 51 -11.730 -15.043 -20.426 1.00 72.42 H new ATOM 0 HB3 SER A 51 -11.811 -16.679 -21.047 1.00 72.42 H new ATOM 0 HG SER A 51 -9.645 -16.053 -20.503 1.00 52.22 H new ATOM 766 N LYS A 52 -10.871 -13.062 -22.235 1.00 43.25 N ATOM 767 CA LYS A 52 -10.713 -11.613 -22.206 1.00 11.44 C ATOM 768 C LYS A 52 -9.444 -11.188 -22.938 1.00 74.03 C ATOM 769 O LYS A 52 -9.443 -10.204 -23.678 1.00 42.34 O ATOM 770 CB LYS A 52 -10.671 -11.113 -20.760 1.00 21.24 C ATOM 771 CG LYS A 52 -11.872 -11.540 -19.934 1.00 0.05 C ATOM 772 CD LYS A 52 -13.103 -10.715 -20.271 1.00 45.01 C ATOM 773 CE LYS A 52 -14.377 -11.396 -19.797 1.00 73.03 C ATOM 774 NZ LYS A 52 -15.512 -11.161 -20.733 1.00 31.24 N ATOM 0 H LYS A 52 -10.031 -13.583 -21.984 1.00 43.25 H new ATOM 0 HA LYS A 52 -11.570 -11.170 -22.714 1.00 11.44 H new ATOM 0 HB2 LYS A 52 -9.763 -11.482 -20.283 1.00 21.24 H new ATOM 0 HB3 LYS A 52 -10.610 -10.025 -20.762 1.00 21.24 H new ATOM 0 HG2 LYS A 52 -12.080 -12.595 -20.112 1.00 0.05 H new ATOM 0 HG3 LYS A 52 -11.641 -11.435 -18.874 1.00 0.05 H new ATOM 0 HD2 LYS A 52 -13.021 -9.732 -19.808 1.00 45.01 H new ATOM 0 HD3 LYS A 52 -13.153 -10.557 -21.348 1.00 45.01 H new ATOM 0 HE2 LYS A 52 -14.202 -12.467 -19.700 1.00 73.03 H new ATOM 0 HE3 LYS A 52 -14.640 -11.025 -18.806 1.00 73.03 H new ATOM 0 HZ1 LYS A 52 -16.362 -11.641 -20.375 1.00 31.24 H new ATOM 0 HZ2 LYS A 52 -15.696 -10.140 -20.806 1.00 31.24 H new ATOM 0 HZ3 LYS A 52 -15.271 -11.538 -21.672 1.00 31.24 H new ATOM 788 N HIS A 53 -8.367 -11.937 -22.729 1.00 25.22 N ATOM 789 CA HIS A 53 -7.092 -11.639 -23.372 1.00 24.14 C ATOM 790 C HIS A 53 -7.214 -11.732 -24.890 1.00 3.44 C ATOM 791 O HIS A 53 -8.036 -12.486 -25.411 1.00 0.13 O ATOM 792 CB HIS A 53 -6.010 -12.599 -22.876 1.00 23.11 C ATOM 793 CG HIS A 53 -4.675 -12.381 -23.520 1.00 31.42 C ATOM 794 ND1 HIS A 53 -3.826 -13.413 -23.860 1.00 74.54 N ATOM 795 CD2 HIS A 53 -4.045 -11.241 -23.887 1.00 24.22 C ATOM 796 CE1 HIS A 53 -2.731 -12.918 -24.407 1.00 50.54 C ATOM 797 NE2 HIS A 53 -2.839 -11.601 -24.436 1.00 25.43 N ATOM 0 H HIS A 53 -8.351 -12.755 -22.120 1.00 25.22 H new ATOM 0 HA HIS A 53 -6.811 -10.619 -23.110 1.00 24.14 H new ATOM 0 HB2 HIS A 53 -5.906 -12.489 -21.797 1.00 23.11 H new ATOM 0 HB3 HIS A 53 -6.331 -13.624 -23.063 1.00 23.11 H new ATOM 0 HD2 HIS A 53 -4.421 -10.235 -23.770 1.00 24.22 H new ATOM 0 HE1 HIS A 53 -1.890 -13.491 -24.769 1.00 50.54 H new ATOM 0 HE2 HIS A 53 -2.140 -10.957 -24.806 1.00 25.43 H new TER 805 HIS A 53