USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 791 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 28 SER OG : rot 140:sc= -1.01 USER MOD Set 1.2: A 31 MET CE :methyl 155:sc= -0.184 (180deg=-0.956) USER MOD Single : A 1 MET CE :methyl -164:sc=-0.00427 (180deg=-0.17) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.93 (180deg=-0.0652) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -133:sc= -0.0346 (180deg=-1.98!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.061) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 115:sc= 0.664 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= -0.277 (180deg=-1.07) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.37) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 146:sc= -2.87 (180deg=-5.85!) USER MOD Single : A 64 ASN : amide:sc= -0.434 K(o=-0.43,f=-1.9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -139:sc= -0.418 (180deg=-1.97!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -129:sc= -4.7 (180deg=-9.98!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= -0.0499 (180deg=-0.341) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.12 K(o=-2.1,f=-6.8!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.475 -9.631 -1.250 1.00 15.04 N ATOM 2 CA MET A 1 5.348 -8.263 -1.740 1.00 32.33 C ATOM 3 C MET A 1 5.249 -8.238 -3.262 1.00 21.24 C ATOM 4 O MET A 1 5.716 -9.154 -3.938 1.00 73.13 O ATOM 5 CB MET A 1 6.540 -7.422 -1.280 1.00 50.23 C ATOM 6 CG MET A 1 7.879 -7.944 -1.775 1.00 21.24 C ATOM 7 SD MET A 1 8.626 -9.126 -0.636 1.00 65.35 S ATOM 8 CE MET A 1 9.192 -8.033 0.665 1.00 55.33 C ATOM 0 H1 MET A 1 4.758 -9.805 -0.517 1.00 15.04 H new ATOM 0 H2 MET A 1 5.334 -10.296 -2.037 1.00 15.04 H new ATOM 0 H3 MET A 1 6.423 -9.768 -0.846 1.00 15.04 H new ATOM 0 HA MET A 1 4.433 -7.839 -1.328 1.00 32.33 H new ATOM 0 HB2 MET A 1 6.407 -6.398 -1.628 1.00 50.23 H new ATOM 0 HB3 MET A 1 6.552 -7.389 -0.191 1.00 50.23 H new ATOM 0 HG2 MET A 1 7.743 -8.418 -2.747 1.00 21.24 H new ATOM 0 HG3 MET A 1 8.560 -7.106 -1.921 1.00 21.24 H new ATOM 0 HE1 MET A 1 9.912 -8.557 1.293 1.00 55.33 H new ATOM 0 HE2 MET A 1 9.666 -7.157 0.223 1.00 55.33 H new ATOM 0 HE3 MET A 1 8.343 -7.719 1.271 1.00 55.33 H new ATOM 18 N ALA A 2 4.639 -7.184 -3.793 1.00 72.13 N ATOM 19 CA ALA A 2 4.481 -7.040 -5.235 1.00 52.41 C ATOM 20 C ALA A 2 5.817 -7.200 -5.953 1.00 32.44 C ATOM 21 O ALA A 2 6.733 -6.402 -5.765 1.00 5.33 O ATOM 22 CB ALA A 2 3.861 -5.690 -5.565 1.00 42.25 C ATOM 0 H ALA A 2 4.246 -6.417 -3.247 1.00 72.13 H new ATOM 0 HA ALA A 2 3.815 -7.829 -5.583 1.00 52.41 H new ATOM 0 HB1 ALA A 2 3.749 -5.595 -6.645 1.00 42.25 H new ATOM 0 HB2 ALA A 2 2.883 -5.613 -5.090 1.00 42.25 H new ATOM 0 HB3 ALA A 2 4.507 -4.893 -5.196 1.00 42.25 H new ATOM 28 N GLY A 3 5.920 -8.240 -6.775 1.00 42.35 N ATOM 29 CA GLY A 3 7.148 -8.487 -7.508 1.00 5.41 C ATOM 30 C GLY A 3 7.673 -9.894 -7.302 1.00 5.40 C ATOM 31 O GLY A 3 8.884 -10.116 -7.292 1.00 73.40 O ATOM 0 H GLY A 3 5.175 -8.916 -6.946 1.00 42.35 H new ATOM 0 HA2 GLY A 3 6.973 -8.320 -8.571 1.00 5.41 H new ATOM 0 HA3 GLY A 3 7.906 -7.770 -7.193 1.00 5.41 H new ATOM 35 N ALA A 4 6.761 -10.846 -7.136 1.00 1.54 N ATOM 36 CA ALA A 4 7.139 -12.238 -6.929 1.00 71.11 C ATOM 37 C ALA A 4 7.471 -12.919 -8.253 1.00 11.14 C ATOM 38 O ALA A 4 8.182 -13.923 -8.284 1.00 22.02 O ATOM 39 CB ALA A 4 6.024 -12.987 -6.213 1.00 45.32 C ATOM 0 H ALA A 4 5.755 -10.678 -7.141 1.00 1.54 H new ATOM 0 HA ALA A 4 8.033 -12.257 -6.306 1.00 71.11 H new ATOM 0 HB1 ALA A 4 6.320 -14.026 -6.065 1.00 45.32 H new ATOM 0 HB2 ALA A 4 5.836 -12.522 -5.245 1.00 45.32 H new ATOM 0 HB3 ALA A 4 5.116 -12.951 -6.815 1.00 45.32 H new ATOM 45 N SER A 5 6.951 -12.366 -9.344 1.00 33.32 N ATOM 46 CA SER A 5 7.188 -12.923 -10.670 1.00 64.43 C ATOM 47 C SER A 5 6.601 -14.327 -10.783 1.00 64.12 C ATOM 48 O SER A 5 7.176 -15.202 -11.431 1.00 40.14 O ATOM 49 CB SER A 5 8.688 -12.960 -10.970 1.00 2.10 C ATOM 50 OG SER A 5 9.302 -11.722 -10.655 1.00 34.04 O ATOM 0 H SER A 5 6.363 -11.533 -9.336 1.00 33.32 H new ATOM 0 HA SER A 5 6.694 -12.282 -11.400 1.00 64.43 H new ATOM 0 HB2 SER A 5 9.157 -13.759 -10.396 1.00 2.10 H new ATOM 0 HB3 SER A 5 8.846 -13.190 -12.024 1.00 2.10 H new ATOM 0 HG SER A 5 10.260 -11.772 -10.854 1.00 34.04 H new ATOM 56 N ASP A 6 5.453 -14.534 -10.148 1.00 25.14 N ATOM 57 CA ASP A 6 4.786 -15.831 -10.176 1.00 45.44 C ATOM 58 C ASP A 6 3.347 -15.691 -10.663 1.00 4.30 C ATOM 59 O ASP A 6 3.009 -16.127 -11.763 1.00 75.40 O ATOM 60 CB ASP A 6 4.808 -16.470 -8.787 1.00 64.44 C ATOM 61 CG ASP A 6 3.984 -17.741 -8.722 1.00 61.11 C ATOM 62 OD1 ASP A 6 2.743 -17.639 -8.632 1.00 35.41 O ATOM 63 OD2 ASP A 6 4.581 -18.837 -8.762 1.00 75.32 O ATOM 0 H ASP A 6 4.964 -13.820 -9.607 1.00 25.14 H new ATOM 0 HA ASP A 6 5.325 -16.474 -10.871 1.00 45.44 H new ATOM 0 HB2 ASP A 6 5.838 -16.694 -8.509 1.00 64.44 H new ATOM 0 HB3 ASP A 6 4.428 -15.756 -8.056 1.00 64.44 H new ATOM 68 N ARG A 7 2.505 -15.080 -9.836 1.00 22.33 N ATOM 69 CA ARG A 7 1.102 -14.885 -10.181 1.00 22.12 C ATOM 70 C ARG A 7 0.958 -13.885 -11.324 1.00 14.10 C ATOM 71 O ARG A 7 1.875 -13.114 -11.610 1.00 31.51 O ATOM 72 CB ARG A 7 0.318 -14.398 -8.961 1.00 31.52 C ATOM 73 CG ARG A 7 0.463 -15.298 -7.745 1.00 24.44 C ATOM 74 CD ARG A 7 0.105 -14.564 -6.462 1.00 74.12 C ATOM 75 NE ARG A 7 -1.261 -14.851 -6.031 1.00 50.52 N ATOM 76 CZ ARG A 7 -1.901 -14.148 -5.103 1.00 74.21 C ATOM 77 NH1 ARG A 7 -1.303 -13.123 -4.512 1.00 61.32 N ATOM 78 NH2 ARG A 7 -3.143 -14.470 -4.765 1.00 33.42 N ATOM 0 H ARG A 7 2.770 -14.712 -8.923 1.00 22.33 H new ATOM 0 HA ARG A 7 0.697 -15.843 -10.506 1.00 22.12 H new ATOM 0 HB2 ARG A 7 0.653 -13.394 -8.701 1.00 31.52 H new ATOM 0 HB3 ARG A 7 -0.737 -14.324 -9.224 1.00 31.52 H new ATOM 0 HG2 ARG A 7 -0.181 -16.170 -7.858 1.00 24.44 H new ATOM 0 HG3 ARG A 7 1.488 -15.664 -7.682 1.00 24.44 H new ATOM 0 HD2 ARG A 7 0.802 -14.850 -5.674 1.00 74.12 H new ATOM 0 HD3 ARG A 7 0.219 -13.491 -6.614 1.00 74.12 H new ATOM 0 HE ARG A 7 -1.750 -15.633 -6.466 1.00 50.52 H new ATOM 0 HH11 ARG A 7 -0.348 -12.872 -4.769 1.00 61.32 H new ATOM 0 HH12 ARG A 7 -1.797 -12.585 -3.800 1.00 61.32 H new ATOM 0 HH21 ARG A 7 -3.607 -15.258 -5.218 1.00 33.42 H new ATOM 0 HH22 ARG A 7 -3.634 -13.930 -4.052 1.00 33.42 H new ATOM 92 N THR A 8 -0.201 -13.902 -11.976 1.00 20.41 N ATOM 93 CA THR A 8 -0.466 -12.999 -13.089 1.00 24.14 C ATOM 94 C THR A 8 -0.496 -11.548 -12.623 1.00 50.23 C ATOM 95 O THR A 8 -0.255 -10.630 -13.406 1.00 1.31 O ATOM 96 CB THR A 8 -1.802 -13.333 -13.778 1.00 21.40 C ATOM 97 OG1 THR A 8 -2.029 -12.434 -14.869 1.00 1.12 O ATOM 98 CG2 THR A 8 -2.957 -13.244 -12.792 1.00 23.32 C ATOM 0 H THR A 8 -0.971 -14.532 -11.752 1.00 20.41 H new ATOM 0 HA THR A 8 0.346 -13.132 -13.804 1.00 24.14 H new ATOM 0 HB THR A 8 -1.745 -14.354 -14.155 1.00 21.40 H new ATOM 0 HG1 THR A 8 -2.880 -12.654 -15.303 1.00 1.12 H new ATOM 0 HG21 THR A 8 -3.890 -13.484 -13.302 1.00 23.32 H new ATOM 0 HG22 THR A 8 -2.796 -13.951 -11.978 1.00 23.32 H new ATOM 0 HG23 THR A 8 -3.014 -12.233 -12.388 1.00 23.32 H new ATOM 106 N GLY A 9 -0.794 -11.348 -11.343 1.00 5.51 N ATOM 107 CA GLY A 9 -0.849 -10.005 -10.796 1.00 12.45 C ATOM 108 C GLY A 9 -0.607 -9.978 -9.299 1.00 40.25 C ATOM 109 O GLY A 9 -1.550 -10.021 -8.509 1.00 72.25 O ATOM 0 H GLY A 9 -0.998 -12.092 -10.675 1.00 5.51 H new ATOM 0 HA2 GLY A 9 -0.104 -9.383 -11.293 1.00 12.45 H new ATOM 0 HA3 GLY A 9 -1.824 -9.568 -11.011 1.00 12.45 H new ATOM 113 N VAL A 10 0.661 -9.908 -8.908 1.00 45.10 N ATOM 114 CA VAL A 10 1.025 -9.876 -7.497 1.00 23.15 C ATOM 115 C VAL A 10 0.249 -8.795 -6.753 1.00 71.10 C ATOM 116 O VAL A 10 0.400 -7.605 -7.031 1.00 24.40 O ATOM 117 CB VAL A 10 2.534 -9.628 -7.311 1.00 62.33 C ATOM 118 CG1 VAL A 10 3.327 -10.881 -7.653 1.00 0.24 C ATOM 119 CG2 VAL A 10 2.989 -8.451 -8.161 1.00 73.53 C ATOM 0 H VAL A 10 1.454 -9.872 -9.549 1.00 45.10 H new ATOM 0 HA VAL A 10 0.771 -10.852 -7.083 1.00 23.15 H new ATOM 0 HB VAL A 10 2.718 -9.384 -6.265 1.00 62.33 H new ATOM 0 HG11 VAL A 10 4.391 -10.687 -7.516 1.00 0.24 H new ATOM 0 HG12 VAL A 10 3.019 -11.696 -6.998 1.00 0.24 H new ATOM 0 HG13 VAL A 10 3.140 -11.158 -8.690 1.00 0.24 H new ATOM 0 HG21 VAL A 10 4.057 -8.290 -8.017 1.00 73.53 H new ATOM 0 HG22 VAL A 10 2.792 -8.663 -9.212 1.00 73.53 H new ATOM 0 HG23 VAL A 10 2.444 -7.555 -7.864 1.00 73.53 H new ATOM 129 N ARG A 11 -0.583 -9.217 -5.806 1.00 63.01 N ATOM 130 CA ARG A 11 -1.384 -8.285 -5.022 1.00 51.23 C ATOM 131 C ARG A 11 -0.519 -7.545 -4.006 1.00 42.13 C ATOM 132 O ARG A 11 0.252 -8.159 -3.269 1.00 21.05 O ATOM 133 CB ARG A 11 -2.511 -9.028 -4.303 1.00 13.20 C ATOM 134 CG ARG A 11 -3.712 -8.152 -3.984 1.00 3.21 C ATOM 135 CD ARG A 11 -4.441 -7.724 -5.248 1.00 32.41 C ATOM 136 NE ARG A 11 -4.912 -8.870 -6.022 1.00 1.10 N ATOM 137 CZ ARG A 11 -5.216 -8.809 -7.314 1.00 13.15 C ATOM 138 NH1 ARG A 11 -5.100 -7.664 -7.972 1.00 65.22 N ATOM 139 NH2 ARG A 11 -5.638 -9.895 -7.949 1.00 11.30 N ATOM 0 H ARG A 11 -0.720 -10.198 -5.563 1.00 63.01 H new ATOM 0 HA ARG A 11 -1.817 -7.554 -5.705 1.00 51.23 H new ATOM 0 HB2 ARG A 11 -2.836 -9.864 -4.922 1.00 13.20 H new ATOM 0 HB3 ARG A 11 -2.123 -9.450 -3.376 1.00 13.20 H new ATOM 0 HG2 ARG A 11 -4.398 -8.695 -3.334 1.00 3.21 H new ATOM 0 HG3 ARG A 11 -3.384 -7.269 -3.435 1.00 3.21 H new ATOM 0 HD2 ARG A 11 -5.289 -7.093 -4.982 1.00 32.41 H new ATOM 0 HD3 ARG A 11 -3.775 -7.120 -5.864 1.00 32.41 H new ATOM 0 HE ARG A 11 -5.013 -9.766 -5.545 1.00 1.10 H new ATOM 0 HH11 ARG A 11 -4.777 -6.827 -7.486 1.00 65.22 H new ATOM 0 HH12 ARG A 11 -5.334 -7.620 -8.964 1.00 65.22 H new ATOM 0 HH21 ARG A 11 -5.729 -10.777 -7.445 1.00 11.30 H new ATOM 0 HH22 ARG A 11 -5.871 -9.848 -8.941 1.00 11.30 H new ATOM 153 N ARG A 12 -0.652 -6.223 -3.975 1.00 2.12 N ATOM 154 CA ARG A 12 0.119 -5.399 -3.051 1.00 71.41 C ATOM 155 C ARG A 12 -0.796 -4.712 -2.042 1.00 34.21 C ATOM 156 O ARG A 12 -1.992 -4.530 -2.275 1.00 4.43 O ATOM 157 CB ARG A 12 0.926 -4.351 -3.820 1.00 74.51 C ATOM 158 CG ARG A 12 0.155 -3.705 -4.959 1.00 52.04 C ATOM 159 CD ARG A 12 0.345 -4.465 -6.263 1.00 20.24 C ATOM 160 NE ARG A 12 1.457 -3.936 -7.048 1.00 22.25 N ATOM 161 CZ ARG A 12 1.444 -2.742 -7.629 1.00 72.02 C ATOM 162 NH1 ARG A 12 0.382 -1.957 -7.514 1.00 55.04 N ATOM 163 NH2 ARG A 12 2.495 -2.331 -8.327 1.00 53.22 N ATOM 0 H ARG A 12 -1.286 -5.700 -4.579 1.00 2.12 H new ATOM 0 HA ARG A 12 0.805 -6.050 -2.509 1.00 71.41 H new ATOM 0 HB2 ARG A 12 1.252 -3.575 -3.127 1.00 74.51 H new ATOM 0 HB3 ARG A 12 1.825 -4.819 -4.221 1.00 74.51 H new ATOM 0 HG2 ARG A 12 -0.905 -3.670 -4.708 1.00 52.04 H new ATOM 0 HG3 ARG A 12 0.487 -2.674 -5.086 1.00 52.04 H new ATOM 0 HD2 ARG A 12 0.523 -5.518 -6.046 1.00 20.24 H new ATOM 0 HD3 ARG A 12 -0.571 -4.411 -6.851 1.00 20.24 H new ATOM 0 HE ARG A 12 2.289 -4.515 -7.156 1.00 22.25 H new ATOM 0 HH11 ARG A 12 -0.428 -2.270 -6.978 1.00 55.04 H new ATOM 0 HH12 ARG A 12 0.375 -1.040 -7.961 1.00 55.04 H new ATOM 0 HH21 ARG A 12 3.314 -2.932 -8.418 1.00 53.22 H new ATOM 0 HH22 ARG A 12 2.484 -1.414 -8.773 1.00 53.22 H new ATOM 177 N PRO A 13 -0.224 -4.322 -0.893 1.00 72.32 N ATOM 178 CA PRO A 13 -0.970 -3.649 0.174 1.00 32.53 C ATOM 179 C PRO A 13 -1.387 -2.234 -0.212 1.00 64.55 C ATOM 180 O PRO A 13 -2.257 -1.638 0.422 1.00 73.43 O ATOM 181 CB PRO A 13 0.026 -3.615 1.336 1.00 42.01 C ATOM 182 CG PRO A 13 1.366 -3.668 0.687 1.00 2.12 C ATOM 183 CD PRO A 13 1.195 -4.508 -0.548 1.00 43.23 C ATOM 0 HA PRO A 13 -1.901 -4.165 0.407 1.00 32.53 H new ATOM 0 HB2 PRO A 13 -0.090 -2.709 1.931 1.00 42.01 H new ATOM 0 HB3 PRO A 13 -0.122 -4.460 2.009 1.00 42.01 H new ATOM 0 HG2 PRO A 13 1.716 -2.668 0.433 1.00 2.12 H new ATOM 0 HG3 PRO A 13 2.107 -4.105 1.357 1.00 2.12 H new ATOM 0 HD2 PRO A 13 1.851 -4.177 -1.353 1.00 43.23 H new ATOM 0 HD3 PRO A 13 1.428 -5.555 -0.357 1.00 43.23 H new ATOM 191 N ARG A 14 -0.760 -1.703 -1.257 1.00 4.33 N ATOM 192 CA ARG A 14 -1.065 -0.357 -1.727 1.00 72.02 C ATOM 193 C ARG A 14 -1.932 -0.404 -2.982 1.00 43.42 C ATOM 194 O ARG A 14 -1.962 0.547 -3.765 1.00 34.44 O ATOM 195 CB ARG A 14 0.226 0.411 -2.014 1.00 41.33 C ATOM 196 CG ARG A 14 1.245 0.333 -0.889 1.00 34.22 C ATOM 197 CD ARG A 14 0.785 1.113 0.333 1.00 24.44 C ATOM 198 NE ARG A 14 1.896 1.439 1.223 1.00 3.15 N ATOM 199 CZ ARG A 14 1.737 1.915 2.454 1.00 61.45 C ATOM 200 NH1 ARG A 14 0.519 2.118 2.937 1.00 63.41 N ATOM 201 NH2 ARG A 14 2.798 2.188 3.203 1.00 75.30 N ATOM 0 H ARG A 14 -0.038 -2.184 -1.794 1.00 4.33 H new ATOM 0 HA ARG A 14 -1.619 0.159 -0.942 1.00 72.02 H new ATOM 0 HB2 ARG A 14 0.675 0.021 -2.927 1.00 41.33 H new ATOM 0 HB3 ARG A 14 -0.017 1.457 -2.200 1.00 41.33 H new ATOM 0 HG2 ARG A 14 1.409 -0.710 -0.616 1.00 34.22 H new ATOM 0 HG3 ARG A 14 2.201 0.726 -1.234 1.00 34.22 H new ATOM 0 HD2 ARG A 14 0.295 2.032 0.013 1.00 24.44 H new ATOM 0 HD3 ARG A 14 0.043 0.529 0.878 1.00 24.44 H new ATOM 0 HE ARG A 14 2.846 1.293 0.881 1.00 3.15 H new ATOM 0 HH11 ARG A 14 -0.298 1.909 2.364 1.00 63.41 H new ATOM 0 HH12 ARG A 14 0.399 2.483 3.882 1.00 63.41 H new ATOM 0 HH21 ARG A 14 3.736 2.033 2.834 1.00 75.30 H new ATOM 0 HH22 ARG A 14 2.675 2.553 4.147 1.00 75.30 H new ATOM 215 N LYS A 15 -2.635 -1.516 -3.169 1.00 3.44 N ATOM 216 CA LYS A 15 -3.503 -1.687 -4.327 1.00 62.45 C ATOM 217 C LYS A 15 -4.457 -0.506 -4.472 1.00 73.51 C ATOM 218 O LYS A 15 -4.891 0.078 -3.480 1.00 33.11 O ATOM 219 CB LYS A 15 -4.299 -2.989 -4.206 1.00 11.55 C ATOM 220 CG LYS A 15 -4.771 -3.540 -5.540 1.00 22.33 C ATOM 221 CD LYS A 15 -3.611 -4.076 -6.363 1.00 54.20 C ATOM 222 CE LYS A 15 -3.856 -3.896 -7.853 1.00 72.04 C ATOM 223 NZ LYS A 15 -5.178 -4.442 -8.268 1.00 51.02 N ATOM 0 H LYS A 15 -2.620 -2.313 -2.532 1.00 3.44 H new ATOM 0 HA LYS A 15 -2.875 -1.734 -5.217 1.00 62.45 H new ATOM 0 HB2 LYS A 15 -3.681 -3.738 -3.711 1.00 11.55 H new ATOM 0 HB3 LYS A 15 -5.165 -2.817 -3.567 1.00 11.55 H new ATOM 0 HG2 LYS A 15 -5.496 -4.336 -5.370 1.00 22.33 H new ATOM 0 HG3 LYS A 15 -5.283 -2.756 -6.098 1.00 22.33 H new ATOM 0 HD2 LYS A 15 -2.693 -3.561 -6.079 1.00 54.20 H new ATOM 0 HD3 LYS A 15 -3.465 -5.133 -6.142 1.00 54.20 H new ATOM 0 HE2 LYS A 15 -3.806 -2.836 -8.104 1.00 72.04 H new ATOM 0 HE3 LYS A 15 -3.065 -4.394 -8.414 1.00 72.04 H new ATOM 0 HZ1 LYS A 15 -5.061 -5.023 -9.123 1.00 51.02 H new ATOM 0 HZ2 LYS A 15 -5.568 -5.028 -7.502 1.00 51.02 H new ATOM 0 HZ3 LYS A 15 -5.830 -3.657 -8.470 1.00 51.02 H new ATOM 237 N ALA A 16 -4.781 -0.162 -5.714 1.00 51.21 N ATOM 238 CA ALA A 16 -5.687 0.947 -5.988 1.00 30.23 C ATOM 239 C ALA A 16 -7.141 0.526 -5.802 1.00 40.31 C ATOM 240 O ALA A 16 -8.015 1.361 -5.566 1.00 5.13 O ATOM 241 CB ALA A 16 -5.464 1.475 -7.397 1.00 51.11 C ATOM 0 H ALA A 16 -4.430 -0.635 -6.546 1.00 51.21 H new ATOM 0 HA ALA A 16 -5.473 1.744 -5.276 1.00 30.23 H new ATOM 0 HB1 ALA A 16 -6.147 2.303 -7.588 1.00 51.11 H new ATOM 0 HB2 ALA A 16 -4.436 1.823 -7.497 1.00 51.11 H new ATOM 0 HB3 ALA A 16 -5.649 0.678 -8.118 1.00 51.11 H new ATOM 247 N LYS A 17 -7.395 -0.773 -5.911 1.00 64.44 N ATOM 248 CA LYS A 17 -8.743 -1.306 -5.755 1.00 61.12 C ATOM 249 C LYS A 17 -8.982 -1.771 -4.322 1.00 44.02 C ATOM 250 O LYS A 17 -9.623 -2.796 -4.089 1.00 53.44 O ATOM 251 CB LYS A 17 -8.969 -2.469 -6.724 1.00 54.22 C ATOM 252 CG LYS A 17 -8.966 -2.053 -8.185 1.00 13.41 C ATOM 253 CD LYS A 17 -10.227 -1.287 -8.549 1.00 73.13 C ATOM 254 CE LYS A 17 -11.410 -2.223 -8.749 1.00 4.05 C ATOM 255 NZ LYS A 17 -12.609 -1.501 -9.256 1.00 12.04 N ATOM 0 H LYS A 17 -6.684 -1.477 -6.107 1.00 64.44 H new ATOM 0 HA LYS A 17 -9.450 -0.509 -5.982 1.00 61.12 H new ATOM 0 HB2 LYS A 17 -8.193 -3.218 -6.567 1.00 54.22 H new ATOM 0 HB3 LYS A 17 -9.922 -2.944 -6.492 1.00 54.22 H new ATOM 0 HG2 LYS A 17 -8.092 -1.433 -8.386 1.00 13.41 H new ATOM 0 HG3 LYS A 17 -8.882 -2.938 -8.816 1.00 13.41 H new ATOM 0 HD2 LYS A 17 -10.458 -0.570 -7.762 1.00 73.13 H new ATOM 0 HD3 LYS A 17 -10.056 -0.715 -9.461 1.00 73.13 H new ATOM 0 HE2 LYS A 17 -11.136 -3.010 -9.452 1.00 4.05 H new ATOM 0 HE3 LYS A 17 -11.652 -2.710 -7.804 1.00 4.05 H new ATOM 0 HZ1 LYS A 17 -13.393 -2.173 -9.379 1.00 12.04 H new ATOM 0 HZ2 LYS A 17 -12.886 -0.767 -8.574 1.00 12.04 H new ATOM 0 HZ3 LYS A 17 -12.387 -1.058 -10.170 1.00 12.04 H new ATOM 269 N LYS A 18 -8.463 -1.011 -3.364 1.00 45.42 N ATOM 270 CA LYS A 18 -8.621 -1.342 -1.953 1.00 71.22 C ATOM 271 C LYS A 18 -9.842 -0.643 -1.364 1.00 32.30 C ATOM 272 O LYS A 18 -10.359 0.314 -1.940 1.00 11.23 O ATOM 273 CB LYS A 18 -7.367 -0.946 -1.171 1.00 22.21 C ATOM 274 CG LYS A 18 -6.388 -2.090 -0.972 1.00 22.32 C ATOM 275 CD LYS A 18 -5.038 -1.591 -0.485 1.00 42.31 C ATOM 276 CE LYS A 18 -5.089 -1.183 0.979 1.00 13.13 C ATOM 277 NZ LYS A 18 -5.012 -2.361 1.886 1.00 31.53 N ATOM 0 H LYS A 18 -7.928 -0.160 -3.539 1.00 45.42 H new ATOM 0 HA LYS A 18 -8.766 -2.419 -1.873 1.00 71.22 H new ATOM 0 HB2 LYS A 18 -6.863 -0.135 -1.696 1.00 22.21 H new ATOM 0 HB3 LYS A 18 -7.664 -0.559 -0.196 1.00 22.21 H new ATOM 0 HG2 LYS A 18 -6.797 -2.798 -0.251 1.00 22.32 H new ATOM 0 HG3 LYS A 18 -6.261 -2.628 -1.911 1.00 22.32 H new ATOM 0 HD2 LYS A 18 -4.290 -2.372 -0.620 1.00 42.31 H new ATOM 0 HD3 LYS A 18 -4.724 -0.741 -1.090 1.00 42.31 H new ATOM 0 HE2 LYS A 18 -4.265 -0.503 1.196 1.00 13.13 H new ATOM 0 HE3 LYS A 18 -6.012 -0.636 1.172 1.00 13.13 H new ATOM 0 HZ1 LYS A 18 -5.050 -2.041 2.875 1.00 31.53 H new ATOM 0 HZ2 LYS A 18 -5.813 -2.997 1.697 1.00 31.53 H new ATOM 0 HZ3 LYS A 18 -4.120 -2.869 1.720 1.00 31.53 H new ATOM 291 N ASP A 19 -10.297 -1.127 -0.214 1.00 32.25 N ATOM 292 CA ASP A 19 -11.456 -0.547 0.455 1.00 31.10 C ATOM 293 C ASP A 19 -11.032 0.562 1.413 1.00 53.24 C ATOM 294 O ASP A 19 -9.905 0.592 1.907 1.00 41.34 O ATOM 295 CB ASP A 19 -12.227 -1.627 1.215 1.00 23.45 C ATOM 296 CG ASP A 19 -12.982 -2.560 0.289 1.00 33.03 C ATOM 297 OD1 ASP A 19 -12.359 -3.503 -0.242 1.00 45.43 O ATOM 298 OD2 ASP A 19 -14.198 -2.348 0.097 1.00 44.12 O ATOM 0 H ASP A 19 -9.881 -1.920 0.275 1.00 32.25 H new ATOM 0 HA ASP A 19 -12.106 -0.116 -0.307 1.00 31.10 H new ATOM 0 HB2 ASP A 19 -11.531 -2.207 1.822 1.00 23.45 H new ATOM 0 HB3 ASP A 19 -12.930 -1.153 1.900 1.00 23.45 H new ATOM 303 N PRO A 20 -11.956 1.497 1.681 1.00 5.41 N ATOM 304 CA PRO A 20 -11.700 2.626 2.581 1.00 54.32 C ATOM 305 C PRO A 20 -11.576 2.191 4.037 1.00 73.32 C ATOM 306 O PRO A 20 -10.705 2.666 4.764 1.00 34.23 O ATOM 307 CB PRO A 20 -12.932 3.516 2.392 1.00 63.22 C ATOM 308 CG PRO A 20 -14.005 2.586 1.943 1.00 75.22 C ATOM 309 CD PRO A 20 -13.320 1.524 1.128 1.00 42.43 C ATOM 0 HA PRO A 20 -10.758 3.124 2.352 1.00 54.32 H new ATOM 0 HB2 PRO A 20 -13.205 4.017 3.321 1.00 63.22 H new ATOM 0 HB3 PRO A 20 -12.748 4.295 1.652 1.00 63.22 H new ATOM 0 HG2 PRO A 20 -14.524 2.149 2.796 1.00 75.22 H new ATOM 0 HG3 PRO A 20 -14.753 3.111 1.349 1.00 75.22 H new ATOM 0 HD2 PRO A 20 -13.814 0.558 1.230 1.00 42.43 H new ATOM 0 HD3 PRO A 20 -13.318 1.771 0.066 1.00 42.43 H new ATOM 317 N ASN A 21 -12.453 1.284 4.455 1.00 20.41 N ATOM 318 CA ASN A 21 -12.441 0.784 5.825 1.00 30.12 C ATOM 319 C ASN A 21 -12.514 1.935 6.824 1.00 30.54 C ATOM 320 O ASN A 21 -11.861 1.907 7.867 1.00 30.11 O ATOM 321 CB ASN A 21 -11.180 -0.046 6.077 1.00 52.54 C ATOM 322 CG ASN A 21 -11.302 -1.459 5.542 1.00 61.24 C ATOM 323 OD1 ASN A 21 -11.235 -2.429 6.297 1.00 13.24 O ATOM 324 ND2 ASN A 21 -11.481 -1.582 4.232 1.00 71.54 N ATOM 0 H ASN A 21 -13.181 0.880 3.865 1.00 20.41 H new ATOM 0 HA ASN A 21 -13.317 0.151 5.962 1.00 30.12 H new ATOM 0 HB2 ASN A 21 -10.326 0.444 5.609 1.00 52.54 H new ATOM 0 HB3 ASN A 21 -10.980 -0.082 7.148 1.00 52.54 H new ATOM 0 HD21 ASN A 21 -11.569 -2.508 3.814 1.00 71.54 H new ATOM 0 HD22 ASN A 21 -11.531 -0.750 3.644 1.00 71.54 H new ATOM 331 N ALA A 22 -13.314 2.945 6.498 1.00 22.41 N ATOM 332 CA ALA A 22 -13.475 4.103 7.368 1.00 45.34 C ATOM 333 C ALA A 22 -14.659 3.922 8.310 1.00 14.12 C ATOM 334 O ALA A 22 -15.551 3.106 8.076 1.00 23.41 O ATOM 335 CB ALA A 22 -13.647 5.367 6.537 1.00 24.51 C ATOM 0 H ALA A 22 -13.861 2.984 5.638 1.00 22.41 H new ATOM 0 HA ALA A 22 -12.574 4.199 7.974 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -13.766 6.224 7.199 1.00 24.51 H new ATOM 0 HB2 ALA A 22 -12.768 5.513 5.910 1.00 24.51 H new ATOM 0 HB3 ALA A 22 -14.531 5.270 5.906 1.00 24.51 H new ATOM 341 N PRO A 23 -14.672 4.700 9.403 1.00 42.12 N ATOM 342 CA PRO A 23 -15.742 4.643 10.403 1.00 50.31 C ATOM 343 C PRO A 23 -17.060 5.198 9.874 1.00 72.35 C ATOM 344 O PRO A 23 -17.076 6.129 9.068 1.00 65.52 O ATOM 345 CB PRO A 23 -15.212 5.520 11.540 1.00 24.12 C ATOM 346 CG PRO A 23 -14.262 6.460 10.882 1.00 0.52 C ATOM 347 CD PRO A 23 -13.642 5.695 9.746 1.00 52.54 C ATOM 0 HA PRO A 23 -15.964 3.619 10.703 1.00 50.31 H new ATOM 0 HB2 PRO A 23 -16.021 6.057 12.036 1.00 24.12 H new ATOM 0 HB3 PRO A 23 -14.713 4.921 12.302 1.00 24.12 H new ATOM 0 HG2 PRO A 23 -14.780 7.347 10.518 1.00 0.52 H new ATOM 0 HG3 PRO A 23 -13.501 6.801 11.584 1.00 0.52 H new ATOM 0 HD2 PRO A 23 -13.414 6.345 8.901 1.00 52.54 H new ATOM 0 HD3 PRO A 23 -12.708 5.220 10.044 1.00 52.54 H new ATOM 355 N LYS A 24 -18.166 4.620 10.331 1.00 1.44 N ATOM 356 CA LYS A 24 -19.490 5.057 9.906 1.00 53.42 C ATOM 357 C LYS A 24 -20.222 5.762 11.043 1.00 34.14 C ATOM 358 O LYS A 24 -21.453 5.787 11.081 1.00 43.13 O ATOM 359 CB LYS A 24 -20.312 3.862 9.419 1.00 34.22 C ATOM 360 CG LYS A 24 -20.053 3.496 7.968 1.00 20.51 C ATOM 361 CD LYS A 24 -18.623 3.026 7.759 1.00 72.34 C ATOM 362 CE LYS A 24 -18.398 2.545 6.333 1.00 4.42 C ATOM 363 NZ LYS A 24 -18.842 1.137 6.146 1.00 70.53 N ATOM 0 H LYS A 24 -18.171 3.847 10.996 1.00 1.44 H new ATOM 0 HA LYS A 24 -19.366 5.763 9.085 1.00 53.42 H new ATOM 0 HB2 LYS A 24 -20.091 2.999 10.048 1.00 34.22 H new ATOM 0 HB3 LYS A 24 -21.371 4.085 9.545 1.00 34.22 H new ATOM 0 HG2 LYS A 24 -20.744 2.711 7.661 1.00 20.51 H new ATOM 0 HG3 LYS A 24 -20.250 4.360 7.333 1.00 20.51 H new ATOM 0 HD2 LYS A 24 -17.935 3.841 7.982 1.00 72.34 H new ATOM 0 HD3 LYS A 24 -18.398 2.219 8.456 1.00 72.34 H new ATOM 0 HE2 LYS A 24 -18.939 3.191 5.642 1.00 4.42 H new ATOM 0 HE3 LYS A 24 -17.340 2.628 6.084 1.00 4.42 H new ATOM 0 HZ1 LYS A 24 -18.672 0.847 5.162 1.00 70.53 H new ATOM 0 HZ2 LYS A 24 -18.308 0.516 6.787 1.00 70.53 H new ATOM 0 HZ3 LYS A 24 -19.857 1.062 6.358 1.00 70.53 H new ATOM 377 N ARG A 25 -19.458 6.334 11.968 1.00 14.02 N ATOM 378 CA ARG A 25 -20.035 7.039 13.106 1.00 12.24 C ATOM 379 C ARG A 25 -20.011 8.548 12.880 1.00 2.13 C ATOM 380 O ARG A 25 -19.096 9.076 12.250 1.00 44.42 O ATOM 381 CB ARG A 25 -19.274 6.692 14.387 1.00 11.44 C ATOM 382 CG ARG A 25 -19.759 7.455 15.609 1.00 2.53 C ATOM 383 CD ARG A 25 -21.163 7.030 16.011 1.00 45.41 C ATOM 384 NE ARG A 25 -21.281 5.580 16.135 1.00 62.03 N ATOM 385 CZ ARG A 25 -20.766 4.884 17.142 1.00 22.11 C ATOM 386 NH1 ARG A 25 -20.101 5.503 18.108 1.00 33.43 N ATOM 387 NH2 ARG A 25 -20.916 3.566 17.185 1.00 45.24 N ATOM 0 H ARG A 25 -18.438 6.323 11.952 1.00 14.02 H new ATOM 0 HA ARG A 25 -21.072 6.721 13.210 1.00 12.24 H new ATOM 0 HB2 ARG A 25 -19.367 5.623 14.576 1.00 11.44 H new ATOM 0 HB3 ARG A 25 -18.214 6.898 14.237 1.00 11.44 H new ATOM 0 HG2 ARG A 25 -19.075 7.286 16.440 1.00 2.53 H new ATOM 0 HG3 ARG A 25 -19.748 8.525 15.400 1.00 2.53 H new ATOM 0 HD2 ARG A 25 -21.426 7.498 16.960 1.00 45.41 H new ATOM 0 HD3 ARG A 25 -21.877 7.390 15.270 1.00 45.41 H new ATOM 0 HE ARG A 25 -21.787 5.074 15.408 1.00 62.03 H new ATOM 0 HH11 ARG A 25 -19.984 6.516 18.079 1.00 33.43 H new ATOM 0 HH12 ARG A 25 -19.706 4.966 18.880 1.00 33.43 H new ATOM 0 HH21 ARG A 25 -21.427 3.086 16.444 1.00 45.24 H new ATOM 0 HH22 ARG A 25 -20.520 3.033 17.959 1.00 45.24 H new ATOM 401 N ALA A 26 -21.023 9.235 13.399 1.00 52.31 N ATOM 402 CA ALA A 26 -21.117 10.683 13.255 1.00 72.21 C ATOM 403 C ALA A 26 -20.450 11.395 14.427 1.00 52.45 C ATOM 404 O ALA A 26 -20.216 10.798 15.478 1.00 63.01 O ATOM 405 CB ALA A 26 -22.573 11.108 13.136 1.00 73.11 C ATOM 0 H ALA A 26 -21.789 8.813 13.923 1.00 52.31 H new ATOM 0 HA ALA A 26 -20.591 10.968 12.344 1.00 72.21 H new ATOM 0 HB1 ALA A 26 -22.628 12.191 13.029 1.00 73.11 H new ATOM 0 HB2 ALA A 26 -23.020 10.634 12.262 1.00 73.11 H new ATOM 0 HB3 ALA A 26 -23.115 10.804 14.031 1.00 73.11 H new ATOM 411 N LEU A 27 -20.146 12.675 14.239 1.00 61.21 N ATOM 412 CA LEU A 27 -19.505 13.469 15.281 1.00 44.53 C ATOM 413 C LEU A 27 -20.271 13.364 16.595 1.00 22.14 C ATOM 414 O LEU A 27 -21.486 13.553 16.634 1.00 54.51 O ATOM 415 CB LEU A 27 -19.411 14.934 14.848 1.00 71.31 C ATOM 416 CG LEU A 27 -18.123 15.341 14.131 1.00 33.21 C ATOM 417 CD1 LEU A 27 -17.750 14.310 13.077 1.00 34.10 C ATOM 418 CD2 LEU A 27 -18.275 16.718 13.502 1.00 14.23 C ATOM 0 H LEU A 27 -20.333 13.184 13.375 1.00 61.21 H new ATOM 0 HA LEU A 27 -18.500 13.076 15.436 1.00 44.53 H new ATOM 0 HB2 LEU A 27 -20.253 15.153 14.192 1.00 71.31 H new ATOM 0 HB3 LEU A 27 -19.525 15.561 15.732 1.00 71.31 H new ATOM 0 HG LEU A 27 -17.319 15.386 14.866 1.00 33.21 H new ATOM 0 HD11 LEU A 27 -16.831 14.617 12.577 1.00 34.10 H new ATOM 0 HD12 LEU A 27 -17.598 13.341 13.553 1.00 34.10 H new ATOM 0 HD13 LEU A 27 -18.553 14.232 12.344 1.00 34.10 H new ATOM 0 HD21 LEU A 27 -17.349 16.991 12.996 1.00 14.23 H new ATOM 0 HD22 LEU A 27 -19.091 16.700 12.780 1.00 14.23 H new ATOM 0 HD23 LEU A 27 -18.494 17.451 14.279 1.00 14.23 H new ATOM 430 N SER A 28 -19.551 13.062 17.671 1.00 1.13 N ATOM 431 CA SER A 28 -20.163 12.930 18.988 1.00 31.12 C ATOM 432 C SER A 28 -21.007 14.156 19.320 1.00 14.54 C ATOM 433 O SER A 28 -20.888 15.199 18.677 1.00 64.01 O ATOM 434 CB SER A 28 -19.086 12.733 20.057 1.00 14.10 C ATOM 435 OG SER A 28 -19.640 12.811 21.359 1.00 11.21 O ATOM 0 H SER A 28 -18.543 12.904 17.656 1.00 1.13 H new ATOM 0 HA SER A 28 -20.814 12.056 18.973 1.00 31.12 H new ATOM 0 HB2 SER A 28 -18.606 11.764 19.920 1.00 14.10 H new ATOM 0 HB3 SER A 28 -18.312 13.491 19.942 1.00 14.10 H new ATOM 0 HG SER A 28 -19.228 12.130 21.931 1.00 11.21 H new ATOM 441 N SER A 29 -21.862 14.023 20.330 1.00 4.31 N ATOM 442 CA SER A 29 -22.729 15.119 20.747 1.00 74.44 C ATOM 443 C SER A 29 -21.938 16.181 21.503 1.00 50.42 C ATOM 444 O SER A 29 -21.798 17.314 21.040 1.00 70.31 O ATOM 445 CB SER A 29 -23.866 14.591 21.625 1.00 4.31 C ATOM 446 OG SER A 29 -24.388 15.616 22.453 1.00 23.11 O ATOM 0 H SER A 29 -21.973 13.167 20.874 1.00 4.31 H new ATOM 0 HA SER A 29 -23.152 15.576 19.852 1.00 74.44 H new ATOM 0 HB2 SER A 29 -24.659 14.188 20.995 1.00 4.31 H new ATOM 0 HB3 SER A 29 -23.502 13.770 22.243 1.00 4.31 H new ATOM 0 HG SER A 29 -25.317 15.799 22.200 1.00 23.11 H new ATOM 452 N TYR A 30 -21.423 15.808 22.669 1.00 64.13 N ATOM 453 CA TYR A 30 -20.647 16.729 23.492 1.00 71.55 C ATOM 454 C TYR A 30 -19.199 16.795 23.017 1.00 43.40 C ATOM 455 O TYR A 30 -18.558 17.844 23.089 1.00 72.31 O ATOM 456 CB TYR A 30 -20.695 16.299 24.959 1.00 75.23 C ATOM 457 CG TYR A 30 -22.074 16.392 25.572 1.00 54.02 C ATOM 458 CD1 TYR A 30 -22.745 17.607 25.640 1.00 2.22 C ATOM 459 CD2 TYR A 30 -22.706 15.266 26.084 1.00 75.44 C ATOM 460 CE1 TYR A 30 -24.005 17.698 26.200 1.00 24.51 C ATOM 461 CE2 TYR A 30 -23.967 15.346 26.644 1.00 44.21 C ATOM 462 CZ TYR A 30 -24.611 16.564 26.700 1.00 14.31 C ATOM 463 OH TYR A 30 -25.866 16.649 27.259 1.00 71.03 O ATOM 0 H TYR A 30 -21.529 14.874 23.066 1.00 64.13 H new ATOM 0 HA TYR A 30 -21.088 17.721 23.397 1.00 71.55 H new ATOM 0 HB2 TYR A 30 -20.339 15.272 25.040 1.00 75.23 H new ATOM 0 HB3 TYR A 30 -20.008 16.920 25.534 1.00 75.23 H new ATOM 0 HD1 TYR A 30 -22.273 18.496 25.248 1.00 2.22 H new ATOM 0 HD2 TYR A 30 -22.203 14.311 26.044 1.00 75.44 H new ATOM 0 HE1 TYR A 30 -24.512 18.651 26.246 1.00 24.51 H new ATOM 0 HE2 TYR A 30 -24.445 14.460 27.035 1.00 44.21 H new ATOM 0 HH TYR A 30 -26.150 15.761 27.562 1.00 71.03 H new ATOM 473 N MET A 31 -18.690 15.668 22.531 1.00 5.01 N ATOM 474 CA MET A 31 -17.317 15.598 22.042 1.00 33.05 C ATOM 475 C MET A 31 -17.191 16.269 20.679 1.00 41.44 C ATOM 476 O MET A 31 -16.093 16.394 20.137 1.00 45.43 O ATOM 477 CB MET A 31 -16.860 14.141 21.951 1.00 24.00 C ATOM 478 CG MET A 31 -15.625 13.839 22.784 1.00 23.51 C ATOM 479 SD MET A 31 -15.955 13.878 24.556 1.00 14.22 S ATOM 480 CE MET A 31 -17.148 12.550 24.708 1.00 43.21 C ATOM 0 H MET A 31 -19.207 14.791 22.465 1.00 5.01 H new ATOM 0 HA MET A 31 -16.678 16.128 22.748 1.00 33.05 H new ATOM 0 HB2 MET A 31 -17.674 13.492 22.275 1.00 24.00 H new ATOM 0 HB3 MET A 31 -16.654 13.898 20.909 1.00 24.00 H new ATOM 0 HG2 MET A 31 -15.239 12.856 22.512 1.00 23.51 H new ATOM 0 HG3 MET A 31 -14.846 14.564 22.548 1.00 23.51 H new ATOM 0 HE1 MET A 31 -17.121 12.151 25.722 1.00 43.21 H new ATOM 0 HE2 MET A 31 -18.146 12.932 24.494 1.00 43.21 H new ATOM 0 HE3 MET A 31 -16.903 11.758 24.000 1.00 43.21 H new ATOM 490 N PHE A 32 -18.322 16.699 20.129 1.00 43.52 N ATOM 491 CA PHE A 32 -18.337 17.357 18.827 1.00 12.13 C ATOM 492 C PHE A 32 -17.201 18.370 18.716 1.00 32.21 C ATOM 493 O PHE A 32 -16.637 18.571 17.641 1.00 65.44 O ATOM 494 CB PHE A 32 -19.680 18.053 18.600 1.00 15.50 C ATOM 495 CG PHE A 32 -19.802 19.369 19.315 1.00 34.31 C ATOM 496 CD1 PHE A 32 -19.845 19.418 20.699 1.00 15.31 C ATOM 497 CD2 PHE A 32 -19.873 20.555 18.603 1.00 15.34 C ATOM 498 CE1 PHE A 32 -19.958 20.627 21.359 1.00 15.24 C ATOM 499 CE2 PHE A 32 -19.986 21.767 19.258 1.00 11.33 C ATOM 500 CZ PHE A 32 -20.028 21.803 20.638 1.00 4.23 C ATOM 0 H PHE A 32 -19.240 16.604 20.564 1.00 43.52 H new ATOM 0 HA PHE A 32 -18.196 16.595 18.061 1.00 12.13 H new ATOM 0 HB2 PHE A 32 -19.820 18.215 17.531 1.00 15.50 H new ATOM 0 HB3 PHE A 32 -20.482 17.393 18.930 1.00 15.50 H new ATOM 0 HD1 PHE A 32 -19.790 18.502 21.268 1.00 15.31 H new ATOM 0 HD2 PHE A 32 -19.840 20.533 17.524 1.00 15.34 H new ATOM 0 HE1 PHE A 32 -19.992 20.652 22.438 1.00 15.24 H new ATOM 0 HE2 PHE A 32 -20.041 22.685 18.691 1.00 11.33 H new ATOM 0 HZ PHE A 32 -20.115 22.749 21.152 1.00 4.23 H new ATOM 510 N PHE A 33 -16.872 19.006 19.835 1.00 30.25 N ATOM 511 CA PHE A 33 -15.805 19.999 19.865 1.00 41.33 C ATOM 512 C PHE A 33 -14.520 19.435 19.265 1.00 53.44 C ATOM 513 O PHE A 33 -13.940 20.022 18.352 1.00 63.55 O ATOM 514 CB PHE A 33 -15.550 20.463 21.300 1.00 21.35 C ATOM 515 CG PHE A 33 -14.394 21.414 21.427 1.00 34.11 C ATOM 516 CD1 PHE A 33 -14.566 22.769 21.193 1.00 72.43 C ATOM 517 CD2 PHE A 33 -13.136 20.953 21.780 1.00 52.21 C ATOM 518 CE1 PHE A 33 -13.505 23.647 21.309 1.00 71.23 C ATOM 519 CE2 PHE A 33 -12.072 21.827 21.898 1.00 65.42 C ATOM 520 CZ PHE A 33 -12.256 23.175 21.661 1.00 61.23 C ATOM 0 H PHE A 33 -17.329 18.851 20.734 1.00 30.25 H new ATOM 0 HA PHE A 33 -16.121 20.853 19.266 1.00 41.33 H new ATOM 0 HB2 PHE A 33 -16.450 20.945 21.683 1.00 21.35 H new ATOM 0 HB3 PHE A 33 -15.363 19.591 21.927 1.00 21.35 H new ATOM 0 HD1 PHE A 33 -15.541 23.143 20.917 1.00 72.43 H new ATOM 0 HD2 PHE A 33 -12.985 19.900 21.965 1.00 52.21 H new ATOM 0 HE1 PHE A 33 -13.653 24.701 21.125 1.00 71.23 H new ATOM 0 HE2 PHE A 33 -11.097 21.456 22.176 1.00 65.42 H new ATOM 0 HZ PHE A 33 -11.425 23.859 21.751 1.00 61.23 H new ATOM 530 N ALA A 34 -14.082 18.294 19.786 1.00 73.15 N ATOM 531 CA ALA A 34 -12.868 17.649 19.301 1.00 1.42 C ATOM 532 C ALA A 34 -13.155 16.786 18.077 1.00 12.24 C ATOM 533 O ALA A 34 -12.394 16.790 17.109 1.00 33.35 O ATOM 534 CB ALA A 34 -12.239 16.812 20.405 1.00 60.44 C ATOM 0 H ALA A 34 -14.550 17.797 20.544 1.00 73.15 H new ATOM 0 HA ALA A 34 -12.165 18.428 19.005 1.00 1.42 H new ATOM 0 HB1 ALA A 34 -11.333 16.336 20.029 1.00 60.44 H new ATOM 0 HB2 ALA A 34 -11.988 17.453 21.250 1.00 60.44 H new ATOM 0 HB3 ALA A 34 -12.944 16.046 20.728 1.00 60.44 H new ATOM 540 N LYS A 35 -14.258 16.046 18.127 1.00 43.22 N ATOM 541 CA LYS A 35 -14.647 15.178 17.022 1.00 22.52 C ATOM 542 C LYS A 35 -14.804 15.976 15.732 1.00 71.52 C ATOM 543 O LYS A 35 -14.739 15.419 14.636 1.00 14.13 O ATOM 544 CB LYS A 35 -15.956 14.456 17.351 1.00 65.42 C ATOM 545 CG LYS A 35 -15.767 12.998 17.732 1.00 23.45 C ATOM 546 CD LYS A 35 -14.800 12.846 18.895 1.00 42.22 C ATOM 547 CE LYS A 35 -14.780 11.419 19.421 1.00 13.44 C ATOM 548 NZ LYS A 35 -15.979 11.118 20.252 1.00 51.31 N ATOM 0 H LYS A 35 -14.898 16.030 18.921 1.00 43.22 H new ATOM 0 HA LYS A 35 -13.858 14.440 16.877 1.00 22.52 H new ATOM 0 HB2 LYS A 35 -16.452 14.976 18.171 1.00 65.42 H new ATOM 0 HB3 LYS A 35 -16.620 14.514 16.489 1.00 65.42 H new ATOM 0 HG2 LYS A 35 -16.730 12.563 17.999 1.00 23.45 H new ATOM 0 HG3 LYS A 35 -15.394 12.442 16.872 1.00 23.45 H new ATOM 0 HD2 LYS A 35 -13.798 13.131 18.576 1.00 42.22 H new ATOM 0 HD3 LYS A 35 -15.085 13.527 19.697 1.00 42.22 H new ATOM 0 HE2 LYS A 35 -14.735 10.723 18.583 1.00 13.44 H new ATOM 0 HE3 LYS A 35 -13.879 11.263 20.014 1.00 13.44 H new ATOM 0 HZ1 LYS A 35 -15.677 10.772 21.185 1.00 51.31 H new ATOM 0 HZ2 LYS A 35 -16.546 11.982 20.370 1.00 51.31 H new ATOM 0 HZ3 LYS A 35 -16.553 10.389 19.782 1.00 51.31 H new ATOM 562 N GLU A 36 -15.010 17.282 15.870 1.00 24.43 N ATOM 563 CA GLU A 36 -15.175 18.155 14.714 1.00 32.13 C ATOM 564 C GLU A 36 -13.967 18.064 13.786 1.00 33.12 C ATOM 565 O GLU A 36 -14.065 18.343 12.591 1.00 13.11 O ATOM 566 CB GLU A 36 -15.377 19.603 15.166 1.00 73.22 C ATOM 567 CG GLU A 36 -15.349 20.606 14.025 1.00 61.22 C ATOM 568 CD GLU A 36 -14.014 21.315 13.905 1.00 61.15 C ATOM 569 OE1 GLU A 36 -13.441 21.683 14.951 1.00 44.12 O ATOM 570 OE2 GLU A 36 -13.543 21.501 12.763 1.00 44.00 O ATOM 0 H GLU A 36 -15.067 17.758 16.770 1.00 24.43 H new ATOM 0 HA GLU A 36 -16.058 17.826 14.166 1.00 32.13 H new ATOM 0 HB2 GLU A 36 -16.332 19.683 15.685 1.00 73.22 H new ATOM 0 HB3 GLU A 36 -14.600 19.862 15.885 1.00 73.22 H new ATOM 0 HG2 GLU A 36 -15.569 20.092 13.089 1.00 61.22 H new ATOM 0 HG3 GLU A 36 -16.136 21.345 14.176 1.00 61.22 H new ATOM 577 N LYS A 37 -12.827 17.672 14.345 1.00 34.22 N ATOM 578 CA LYS A 37 -11.599 17.543 13.570 1.00 73.40 C ATOM 579 C LYS A 37 -11.612 16.263 12.740 1.00 25.45 C ATOM 580 O LYS A 37 -10.734 16.045 11.904 1.00 14.34 O ATOM 581 CB LYS A 37 -10.383 17.550 14.498 1.00 23.34 C ATOM 582 CG LYS A 37 -10.150 16.226 15.206 1.00 64.24 C ATOM 583 CD LYS A 37 -9.294 16.401 16.449 1.00 33.03 C ATOM 584 CE LYS A 37 -7.883 15.878 16.233 1.00 24.21 C ATOM 585 NZ LYS A 37 -7.341 15.221 17.455 1.00 13.11 N ATOM 0 H LYS A 37 -12.728 17.438 15.333 1.00 34.22 H new ATOM 0 HA LYS A 37 -11.535 18.394 12.892 1.00 73.40 H new ATOM 0 HB2 LYS A 37 -9.495 17.803 13.918 1.00 23.34 H new ATOM 0 HB3 LYS A 37 -10.511 18.334 15.244 1.00 23.34 H new ATOM 0 HG2 LYS A 37 -11.108 15.787 15.482 1.00 64.24 H new ATOM 0 HG3 LYS A 37 -9.664 15.528 14.524 1.00 64.24 H new ATOM 0 HD2 LYS A 37 -9.254 17.456 16.719 1.00 33.03 H new ATOM 0 HD3 LYS A 37 -9.754 15.875 17.286 1.00 33.03 H new ATOM 0 HE2 LYS A 37 -7.882 15.166 15.407 1.00 24.21 H new ATOM 0 HE3 LYS A 37 -7.231 16.702 15.944 1.00 24.21 H new ATOM 0 HZ1 LYS A 37 -6.377 14.878 17.266 1.00 13.11 H new ATOM 0 HZ2 LYS A 37 -7.318 15.907 18.237 1.00 13.11 H new ATOM 0 HZ3 LYS A 37 -7.949 14.419 17.716 1.00 13.11 H new ATOM 599 N ARG A 38 -12.611 15.419 12.976 1.00 14.55 N ATOM 600 CA ARG A 38 -12.737 14.161 12.251 1.00 53.44 C ATOM 601 C ARG A 38 -12.622 14.388 10.746 1.00 33.10 C ATOM 602 O ARG A 38 -12.152 13.519 10.011 1.00 54.41 O ATOM 603 CB ARG A 38 -14.074 13.492 12.576 1.00 40.13 C ATOM 604 CG ARG A 38 -14.247 12.130 11.925 1.00 71.44 C ATOM 605 CD ARG A 38 -15.713 11.737 11.837 1.00 75.54 C ATOM 606 NE ARG A 38 -15.917 10.571 10.980 1.00 13.40 N ATOM 607 CZ ARG A 38 -15.943 10.630 9.653 1.00 4.12 C ATOM 608 NH1 ARG A 38 -15.777 11.791 9.034 1.00 32.14 N ATOM 609 NH2 ARG A 38 -16.133 9.526 8.943 1.00 71.24 N ATOM 0 H ARG A 38 -13.345 15.584 13.664 1.00 14.55 H new ATOM 0 HA ARG A 38 -11.925 13.506 12.566 1.00 53.44 H new ATOM 0 HB2 ARG A 38 -14.163 13.383 13.657 1.00 40.13 H new ATOM 0 HB3 ARG A 38 -14.885 14.145 12.254 1.00 40.13 H new ATOM 0 HG2 ARG A 38 -13.813 12.146 10.925 1.00 71.44 H new ATOM 0 HG3 ARG A 38 -13.702 11.380 12.498 1.00 71.44 H new ATOM 0 HD2 ARG A 38 -16.091 11.523 12.836 1.00 75.54 H new ATOM 0 HD3 ARG A 38 -16.291 12.577 11.450 1.00 75.54 H new ATOM 0 HE ARG A 38 -16.046 9.662 11.425 1.00 13.40 H new ATOM 0 HH11 ARG A 38 -15.629 12.642 9.577 1.00 32.14 H new ATOM 0 HH12 ARG A 38 -15.797 11.833 8.015 1.00 32.14 H new ATOM 0 HH21 ARG A 38 -16.259 8.631 9.416 1.00 71.24 H new ATOM 0 HH22 ARG A 38 -16.153 9.572 7.924 1.00 71.24 H new ATOM 623 N VAL A 39 -13.055 15.561 10.295 1.00 71.15 N ATOM 624 CA VAL A 39 -13.000 15.902 8.878 1.00 14.31 C ATOM 625 C VAL A 39 -11.597 15.698 8.317 1.00 15.15 C ATOM 626 O VAL A 39 -11.422 15.500 7.116 1.00 61.12 O ATOM 627 CB VAL A 39 -13.431 17.361 8.635 1.00 32.03 C ATOM 628 CG1 VAL A 39 -13.307 17.716 7.161 1.00 15.25 C ATOM 629 CG2 VAL A 39 -14.852 17.585 9.129 1.00 55.52 C ATOM 0 H VAL A 39 -13.448 16.291 10.890 1.00 71.15 H new ATOM 0 HA VAL A 39 -13.693 15.235 8.365 1.00 14.31 H new ATOM 0 HB VAL A 39 -12.767 18.017 9.198 1.00 32.03 H new ATOM 0 HG11 VAL A 39 -13.616 18.750 7.009 1.00 15.25 H new ATOM 0 HG12 VAL A 39 -12.271 17.596 6.844 1.00 15.25 H new ATOM 0 HG13 VAL A 39 -13.945 17.056 6.573 1.00 15.25 H new ATOM 0 HG21 VAL A 39 -15.141 18.621 8.950 1.00 55.52 H new ATOM 0 HG22 VAL A 39 -15.532 16.921 8.595 1.00 55.52 H new ATOM 0 HG23 VAL A 39 -14.903 17.374 10.197 1.00 55.52 H new ATOM 639 N GLU A 40 -10.602 15.748 9.197 1.00 64.32 N ATOM 640 CA GLU A 40 -9.213 15.568 8.788 1.00 13.34 C ATOM 641 C GLU A 40 -9.007 14.198 8.150 1.00 62.12 C ATOM 642 O GLU A 40 -8.082 14.002 7.361 1.00 42.32 O ATOM 643 CB GLU A 40 -8.280 15.729 9.990 1.00 32.14 C ATOM 644 CG GLU A 40 -6.859 16.109 9.611 1.00 63.51 C ATOM 645 CD GLU A 40 -6.148 16.877 10.708 1.00 43.55 C ATOM 646 OE1 GLU A 40 -5.711 16.243 11.690 1.00 11.25 O ATOM 647 OE2 GLU A 40 -6.028 18.114 10.582 1.00 1.30 O ATOM 0 H GLU A 40 -10.731 15.911 10.196 1.00 64.32 H new ATOM 0 HA GLU A 40 -8.976 16.333 8.048 1.00 13.34 H new ATOM 0 HB2 GLU A 40 -8.686 16.492 10.655 1.00 32.14 H new ATOM 0 HB3 GLU A 40 -8.260 14.795 10.551 1.00 32.14 H new ATOM 0 HG2 GLU A 40 -6.294 15.205 9.381 1.00 63.51 H new ATOM 0 HG3 GLU A 40 -6.878 16.713 8.704 1.00 63.51 H new ATOM 654 N ILE A 41 -9.874 13.253 8.497 1.00 11.11 N ATOM 655 CA ILE A 41 -9.787 11.902 7.958 1.00 75.31 C ATOM 656 C ILE A 41 -9.904 11.908 6.437 1.00 23.05 C ATOM 657 O ILE A 41 -9.521 10.945 5.772 1.00 44.53 O ATOM 658 CB ILE A 41 -10.884 10.991 8.542 1.00 50.34 C ATOM 659 CG1 ILE A 41 -12.264 11.447 8.063 1.00 0.11 C ATOM 660 CG2 ILE A 41 -10.818 10.990 10.062 1.00 51.54 C ATOM 661 CD1 ILE A 41 -12.963 10.435 7.182 1.00 44.30 C ATOM 0 H ILE A 41 -10.645 13.398 9.149 1.00 11.11 H new ATOM 0 HA ILE A 41 -8.811 11.511 8.244 1.00 75.31 H new ATOM 0 HB ILE A 41 -10.716 9.973 8.190 1.00 50.34 H new ATOM 0 HG12 ILE A 41 -12.890 11.655 8.931 1.00 0.11 H new ATOM 0 HG13 ILE A 41 -12.158 12.383 7.514 1.00 0.11 H new ATOM 0 HG21 ILE A 41 -11.599 10.342 10.460 1.00 51.54 H new ATOM 0 HG22 ILE A 41 -9.843 10.623 10.384 1.00 51.54 H new ATOM 0 HG23 ILE A 41 -10.964 12.004 10.433 1.00 51.54 H new ATOM 0 HD11 ILE A 41 -13.935 10.825 6.880 1.00 44.30 H new ATOM 0 HD12 ILE A 41 -12.357 10.244 6.296 1.00 44.30 H new ATOM 0 HD13 ILE A 41 -13.101 9.505 7.734 1.00 44.30 H new ATOM 673 N ILE A 42 -10.433 12.999 5.895 1.00 41.14 N ATOM 674 CA ILE A 42 -10.597 13.132 4.452 1.00 25.23 C ATOM 675 C ILE A 42 -9.289 12.843 3.722 1.00 75.01 C ATOM 676 O ILE A 42 -9.293 12.397 2.575 1.00 20.41 O ATOM 677 CB ILE A 42 -11.086 14.541 4.068 1.00 24.24 C ATOM 678 CG1 ILE A 42 -11.471 14.585 2.588 1.00 32.04 C ATOM 679 CG2 ILE A 42 -10.012 15.575 4.373 1.00 52.22 C ATOM 680 CD1 ILE A 42 -10.342 15.023 1.683 1.00 41.54 C ATOM 0 H ILE A 42 -10.755 13.804 6.432 1.00 41.14 H new ATOM 0 HA ILE A 42 -11.348 12.402 4.151 1.00 25.23 H new ATOM 0 HB ILE A 42 -11.970 14.778 4.661 1.00 24.24 H new ATOM 0 HG12 ILE A 42 -11.810 13.596 2.280 1.00 32.04 H new ATOM 0 HG13 ILE A 42 -12.313 15.265 2.460 1.00 32.04 H new ATOM 0 HG21 ILE A 42 -10.372 16.566 4.096 1.00 52.22 H new ATOM 0 HG22 ILE A 42 -9.782 15.557 5.438 1.00 52.22 H new ATOM 0 HG23 ILE A 42 -9.112 15.344 3.803 1.00 52.22 H new ATOM 0 HD11 ILE A 42 -10.687 15.031 0.649 1.00 41.54 H new ATOM 0 HD12 ILE A 42 -10.017 16.025 1.965 1.00 41.54 H new ATOM 0 HD13 ILE A 42 -9.507 14.330 1.782 1.00 41.54 H new ATOM 692 N ALA A 43 -8.173 13.099 4.395 1.00 4.31 N ATOM 693 CA ALA A 43 -6.858 12.863 3.812 1.00 42.31 C ATOM 694 C ALA A 43 -6.429 11.411 3.993 1.00 14.14 C ATOM 695 O ALA A 43 -5.942 10.777 3.058 1.00 2.41 O ATOM 696 CB ALA A 43 -5.830 13.800 4.430 1.00 34.10 C ATOM 0 H ALA A 43 -8.153 13.470 5.345 1.00 4.31 H new ATOM 0 HA ALA A 43 -6.921 13.065 2.743 1.00 42.31 H new ATOM 0 HB1 ALA A 43 -4.853 13.612 3.985 1.00 34.10 H new ATOM 0 HB2 ALA A 43 -6.121 14.834 4.243 1.00 34.10 H new ATOM 0 HB3 ALA A 43 -5.779 13.626 5.505 1.00 34.10 H new ATOM 702 N GLU A 44 -6.614 10.891 5.203 1.00 53.02 N ATOM 703 CA GLU A 44 -6.245 9.513 5.506 1.00 42.42 C ATOM 704 C GLU A 44 -6.954 8.541 4.568 1.00 72.11 C ATOM 705 O GLU A 44 -6.482 7.429 4.337 1.00 31.43 O ATOM 706 CB GLU A 44 -6.586 9.178 6.959 1.00 13.21 C ATOM 707 CG GLU A 44 -5.914 7.914 7.466 1.00 24.34 C ATOM 708 CD GLU A 44 -4.401 7.990 7.398 1.00 63.03 C ATOM 709 OE1 GLU A 44 -3.834 8.984 7.899 1.00 72.13 O ATOM 710 OE2 GLU A 44 -3.784 7.057 6.843 1.00 25.24 O ATOM 0 H GLU A 44 -7.017 11.403 5.988 1.00 53.02 H new ATOM 0 HA GLU A 44 -5.170 9.412 5.360 1.00 42.42 H new ATOM 0 HB2 GLU A 44 -6.294 10.014 7.594 1.00 13.21 H new ATOM 0 HB3 GLU A 44 -7.666 9.068 7.054 1.00 13.21 H new ATOM 0 HG2 GLU A 44 -6.219 7.733 8.497 1.00 24.34 H new ATOM 0 HG3 GLU A 44 -6.258 7.063 6.878 1.00 24.34 H new ATOM 717 N ASN A 45 -8.092 8.970 4.031 1.00 62.34 N ATOM 718 CA ASN A 45 -8.868 8.137 3.119 1.00 42.24 C ATOM 719 C ASN A 45 -9.149 8.876 1.814 1.00 72.03 C ATOM 720 O ASN A 45 -10.223 9.444 1.612 1.00 62.32 O ATOM 721 CB ASN A 45 -10.185 7.717 3.774 1.00 0.21 C ATOM 722 CG ASN A 45 -10.562 6.285 3.448 1.00 53.13 C ATOM 723 OD1 ASN A 45 -10.703 5.450 4.341 1.00 73.41 O ATOM 724 ND2 ASN A 45 -10.727 5.995 2.162 1.00 15.23 N ATOM 0 H ASN A 45 -8.497 9.889 4.211 1.00 62.34 H new ATOM 0 HA ASN A 45 -8.282 7.246 2.893 1.00 42.24 H new ATOM 0 HB2 ASN A 45 -10.103 7.831 4.855 1.00 0.21 H new ATOM 0 HB3 ASN A 45 -10.981 8.384 3.443 1.00 0.21 H new ATOM 0 HD21 ASN A 45 -10.981 5.048 1.881 1.00 15.23 H new ATOM 0 HD22 ASN A 45 -10.600 6.720 1.455 1.00 15.23 H new ATOM 731 N PRO A 46 -8.162 8.869 0.905 1.00 34.12 N ATOM 732 CA PRO A 46 -8.280 9.533 -0.397 1.00 32.45 C ATOM 733 C PRO A 46 -9.268 8.827 -1.320 1.00 2.23 C ATOM 734 O PRO A 46 -9.602 9.335 -2.389 1.00 50.14 O ATOM 735 CB PRO A 46 -6.862 9.449 -0.967 1.00 11.33 C ATOM 736 CG PRO A 46 -6.254 8.265 -0.298 1.00 70.24 C ATOM 737 CD PRO A 46 -6.856 8.212 1.079 1.00 40.04 C ATOM 0 HA PRO A 46 -8.657 10.551 -0.303 1.00 32.45 H new ATOM 0 HB2 PRO A 46 -6.877 9.327 -2.050 1.00 11.33 H new ATOM 0 HB3 PRO A 46 -6.296 10.357 -0.756 1.00 11.33 H new ATOM 0 HG2 PRO A 46 -6.468 7.351 -0.853 1.00 70.24 H new ATOM 0 HG3 PRO A 46 -5.169 8.360 -0.246 1.00 70.24 H new ATOM 0 HD2 PRO A 46 -6.966 7.186 1.430 1.00 40.04 H new ATOM 0 HD3 PRO A 46 -6.237 8.734 1.809 1.00 40.04 H new ATOM 745 N GLU A 47 -9.731 7.655 -0.898 1.00 71.31 N ATOM 746 CA GLU A 47 -10.681 6.880 -1.689 1.00 4.33 C ATOM 747 C GLU A 47 -11.982 7.652 -1.885 1.00 52.31 C ATOM 748 O GLU A 47 -12.446 7.832 -3.012 1.00 23.43 O ATOM 749 CB GLU A 47 -10.968 5.539 -1.011 1.00 62.33 C ATOM 750 CG GLU A 47 -11.458 4.466 -1.969 1.00 63.32 C ATOM 751 CD GLU A 47 -10.335 3.858 -2.788 1.00 33.23 C ATOM 752 OE1 GLU A 47 -9.384 4.593 -3.127 1.00 21.44 O ATOM 753 OE2 GLU A 47 -10.408 2.648 -3.089 1.00 50.44 O ATOM 0 H GLU A 47 -9.465 7.221 -0.014 1.00 71.31 H new ATOM 0 HA GLU A 47 -10.236 6.697 -2.667 1.00 4.33 H new ATOM 0 HB2 GLU A 47 -10.061 5.188 -0.519 1.00 62.33 H new ATOM 0 HB3 GLU A 47 -11.716 5.688 -0.232 1.00 62.33 H new ATOM 0 HG2 GLU A 47 -11.957 3.679 -1.403 1.00 63.32 H new ATOM 0 HG3 GLU A 47 -12.201 4.896 -2.641 1.00 63.32 H new ATOM 760 N ILE A 48 -12.566 8.106 -0.781 1.00 74.13 N ATOM 761 CA ILE A 48 -13.814 8.859 -0.832 1.00 24.53 C ATOM 762 C ILE A 48 -13.556 10.358 -0.727 1.00 25.24 C ATOM 763 O ILE A 48 -14.489 11.153 -0.626 1.00 52.14 O ATOM 764 CB ILE A 48 -14.773 8.434 0.296 1.00 73.04 C ATOM 765 CG1 ILE A 48 -14.484 9.232 1.569 1.00 60.42 C ATOM 766 CG2 ILE A 48 -14.652 6.941 0.560 1.00 22.23 C ATOM 767 CD1 ILE A 48 -13.046 9.136 2.028 1.00 21.00 C ATOM 0 H ILE A 48 -12.196 7.966 0.159 1.00 74.13 H new ATOM 0 HA ILE A 48 -14.277 8.639 -1.794 1.00 24.53 H new ATOM 0 HB ILE A 48 -15.795 8.645 -0.018 1.00 73.04 H new ATOM 0 HG12 ILE A 48 -14.733 10.279 1.396 1.00 60.42 H new ATOM 0 HG13 ILE A 48 -15.136 8.877 2.367 1.00 60.42 H new ATOM 0 HG21 ILE A 48 -15.336 6.656 1.360 1.00 22.23 H new ATOM 0 HG22 ILE A 48 -14.904 6.390 -0.346 1.00 22.23 H new ATOM 0 HG23 ILE A 48 -13.630 6.706 0.856 1.00 22.23 H new ATOM 0 HD11 ILE A 48 -12.913 9.726 2.935 1.00 21.00 H new ATOM 0 HD12 ILE A 48 -12.798 8.094 2.233 1.00 21.00 H new ATOM 0 HD13 ILE A 48 -12.389 9.519 1.247 1.00 21.00 H new ATOM 779 N ALA A 49 -12.282 10.737 -0.752 1.00 21.41 N ATOM 780 CA ALA A 49 -11.901 12.141 -0.664 1.00 23.35 C ATOM 781 C ALA A 49 -12.661 12.981 -1.684 1.00 1.33 C ATOM 782 O ALA A 49 -13.222 14.025 -1.349 1.00 71.14 O ATOM 783 CB ALA A 49 -10.400 12.294 -0.864 1.00 32.32 C ATOM 0 H ALA A 49 -11.497 10.091 -0.832 1.00 21.41 H new ATOM 0 HA ALA A 49 -12.162 12.501 0.331 1.00 23.35 H new ATOM 0 HB1 ALA A 49 -10.129 13.348 -0.796 1.00 32.32 H new ATOM 0 HB2 ALA A 49 -9.871 11.733 -0.094 1.00 32.32 H new ATOM 0 HB3 ALA A 49 -10.123 11.911 -1.846 1.00 32.32 H new ATOM 789 N LYS A 50 -12.675 12.521 -2.930 1.00 31.30 N ATOM 790 CA LYS A 50 -13.367 13.229 -4.000 1.00 41.32 C ATOM 791 C LYS A 50 -14.742 12.621 -4.255 1.00 14.30 C ATOM 792 O LYS A 50 -15.239 12.637 -5.381 1.00 74.22 O ATOM 793 CB LYS A 50 -12.536 13.193 -5.285 1.00 25.35 C ATOM 794 CG LYS A 50 -11.426 14.229 -5.320 1.00 42.25 C ATOM 795 CD LYS A 50 -11.490 15.071 -6.584 1.00 1.23 C ATOM 796 CE LYS A 50 -11.000 16.489 -6.334 1.00 1.32 C ATOM 797 NZ LYS A 50 -9.769 16.796 -7.113 1.00 42.14 N ATOM 0 H LYS A 50 -12.214 11.660 -3.224 1.00 31.30 H new ATOM 0 HA LYS A 50 -13.499 14.265 -3.689 1.00 41.32 H new ATOM 0 HB2 LYS A 50 -12.099 12.201 -5.398 1.00 25.35 H new ATOM 0 HB3 LYS A 50 -13.195 13.350 -6.139 1.00 25.35 H new ATOM 0 HG2 LYS A 50 -11.503 14.876 -4.446 1.00 42.25 H new ATOM 0 HG3 LYS A 50 -10.459 13.730 -5.263 1.00 42.25 H new ATOM 0 HD2 LYS A 50 -10.884 14.607 -7.362 1.00 1.23 H new ATOM 0 HD3 LYS A 50 -12.515 15.099 -6.952 1.00 1.23 H new ATOM 0 HE2 LYS A 50 -11.785 17.197 -6.601 1.00 1.32 H new ATOM 0 HE3 LYS A 50 -10.799 16.622 -5.271 1.00 1.32 H new ATOM 0 HZ1 LYS A 50 -9.467 17.771 -6.915 1.00 42.14 H new ATOM 0 HZ2 LYS A 50 -9.012 16.137 -6.840 1.00 42.14 H new ATOM 0 HZ3 LYS A 50 -9.967 16.694 -8.129 1.00 42.14 H new ATOM 811 N ASP A 51 -15.353 12.088 -3.202 1.00 44.14 N ATOM 812 CA ASP A 51 -16.672 11.477 -3.312 1.00 12.22 C ATOM 813 C ASP A 51 -17.751 12.542 -3.483 1.00 34.14 C ATOM 814 O ASP A 51 -18.298 13.049 -2.503 1.00 50.42 O ATOM 815 CB ASP A 51 -16.968 10.627 -2.075 1.00 73.15 C ATOM 816 CG ASP A 51 -18.144 9.692 -2.284 1.00 5.14 C ATOM 817 OD1 ASP A 51 -18.946 9.943 -3.208 1.00 5.34 O ATOM 818 OD2 ASP A 51 -18.261 8.709 -1.523 1.00 61.20 O ATOM 0 H ASP A 51 -14.956 12.067 -2.263 1.00 44.14 H new ATOM 0 HA ASP A 51 -16.677 10.836 -4.193 1.00 12.22 H new ATOM 0 HB2 ASP A 51 -16.084 10.043 -1.819 1.00 73.15 H new ATOM 0 HB3 ASP A 51 -17.174 11.282 -1.228 1.00 73.15 H new ATOM 823 N VAL A 52 -18.053 12.877 -4.733 1.00 62.43 N ATOM 824 CA VAL A 52 -19.066 13.881 -5.033 1.00 34.12 C ATOM 825 C VAL A 52 -20.464 13.363 -4.713 1.00 53.15 C ATOM 826 O VAL A 52 -21.369 14.138 -4.407 1.00 13.45 O ATOM 827 CB VAL A 52 -19.014 14.307 -6.512 1.00 12.21 C ATOM 828 CG1 VAL A 52 -19.313 13.124 -7.420 1.00 21.23 C ATOM 829 CG2 VAL A 52 -19.987 15.448 -6.772 1.00 24.22 C ATOM 0 H VAL A 52 -17.610 12.467 -5.555 1.00 62.43 H new ATOM 0 HA VAL A 52 -18.850 14.746 -4.406 1.00 34.12 H new ATOM 0 HB VAL A 52 -18.007 14.660 -6.735 1.00 12.21 H new ATOM 0 HG11 VAL A 52 -19.272 13.445 -8.461 1.00 21.23 H new ATOM 0 HG12 VAL A 52 -18.574 12.341 -7.252 1.00 21.23 H new ATOM 0 HG13 VAL A 52 -20.308 12.738 -7.199 1.00 21.23 H new ATOM 0 HG21 VAL A 52 -19.937 15.737 -7.822 1.00 24.22 H new ATOM 0 HG22 VAL A 52 -21.000 15.124 -6.532 1.00 24.22 H new ATOM 0 HG23 VAL A 52 -19.722 16.302 -6.148 1.00 24.22 H new ATOM 839 N ALA A 53 -20.633 12.047 -4.788 1.00 20.15 N ATOM 840 CA ALA A 53 -21.920 11.425 -4.504 1.00 32.42 C ATOM 841 C ALA A 53 -22.178 11.356 -3.002 1.00 63.14 C ATOM 842 O ALA A 53 -23.325 11.292 -2.562 1.00 71.12 O ATOM 843 CB ALA A 53 -21.980 10.033 -5.116 1.00 22.12 C ATOM 0 H ALA A 53 -19.895 11.391 -5.043 1.00 20.15 H new ATOM 0 HA ALA A 53 -22.700 12.041 -4.952 1.00 32.42 H new ATOM 0 HB1 ALA A 53 -22.947 9.580 -4.896 1.00 22.12 H new ATOM 0 HB2 ALA A 53 -21.850 10.104 -6.196 1.00 22.12 H new ATOM 0 HB3 ALA A 53 -21.186 9.416 -4.695 1.00 22.12 H new ATOM 849 N ALA A 54 -21.103 11.369 -2.221 1.00 63.11 N ATOM 850 CA ALA A 54 -21.213 11.309 -0.769 1.00 0.41 C ATOM 851 C ALA A 54 -21.955 12.525 -0.224 1.00 40.34 C ATOM 852 O ALA A 54 -22.732 12.416 0.725 1.00 50.05 O ATOM 853 CB ALA A 54 -19.832 11.205 -0.139 1.00 11.44 C ATOM 0 H ALA A 54 -20.146 11.421 -2.570 1.00 63.11 H new ATOM 0 HA ALA A 54 -21.787 10.419 -0.509 1.00 0.41 H new ATOM 0 HB1 ALA A 54 -19.929 11.161 0.946 1.00 11.44 H new ATOM 0 HB2 ALA A 54 -19.336 10.302 -0.496 1.00 11.44 H new ATOM 0 HB3 ALA A 54 -19.240 12.077 -0.415 1.00 11.44 H new ATOM 859 N ILE A 55 -21.710 13.682 -0.830 1.00 42.20 N ATOM 860 CA ILE A 55 -22.356 14.918 -0.405 1.00 45.13 C ATOM 861 C ILE A 55 -23.865 14.848 -0.611 1.00 0.35 C ATOM 862 O ILE A 55 -24.628 15.514 0.088 1.00 74.12 O ATOM 863 CB ILE A 55 -21.801 16.135 -1.169 1.00 64.45 C ATOM 864 CG1 ILE A 55 -20.293 16.261 -0.944 1.00 44.41 C ATOM 865 CG2 ILE A 55 -22.515 17.405 -0.734 1.00 35.13 C ATOM 866 CD1 ILE A 55 -19.463 15.691 -2.073 1.00 22.01 C ATOM 0 H ILE A 55 -21.069 13.789 -1.616 1.00 42.20 H new ATOM 0 HA ILE A 55 -22.141 15.037 0.657 1.00 45.13 H new ATOM 0 HB ILE A 55 -21.980 15.989 -2.234 1.00 64.45 H new ATOM 0 HG12 ILE A 55 -20.040 17.313 -0.814 1.00 44.41 H new ATOM 0 HG13 ILE A 55 -20.029 15.752 -0.017 1.00 44.41 H new ATOM 0 HG21 ILE A 55 -22.111 18.256 -1.283 1.00 35.13 H new ATOM 0 HG22 ILE A 55 -23.581 17.312 -0.941 1.00 35.13 H new ATOM 0 HG23 ILE A 55 -22.365 17.559 0.335 1.00 35.13 H new ATOM 0 HD11 ILE A 55 -18.404 15.815 -1.845 1.00 22.01 H new ATOM 0 HD12 ILE A 55 -19.687 14.631 -2.190 1.00 22.01 H new ATOM 0 HD13 ILE A 55 -19.699 16.216 -2.999 1.00 22.01 H new ATOM 878 N GLY A 56 -24.289 14.035 -1.573 1.00 51.35 N ATOM 879 CA GLY A 56 -25.706 13.892 -1.853 1.00 21.34 C ATOM 880 C GLY A 56 -26.376 12.879 -0.945 1.00 63.45 C ATOM 881 O GLY A 56 -27.538 13.040 -0.573 1.00 73.35 O ATOM 0 H GLY A 56 -23.677 13.473 -2.164 1.00 51.35 H new ATOM 0 HA2 GLY A 56 -26.196 14.859 -1.738 1.00 21.34 H new ATOM 0 HA3 GLY A 56 -25.839 13.589 -2.892 1.00 21.34 H new ATOM 885 N LYS A 57 -25.642 11.830 -0.589 1.00 70.21 N ATOM 886 CA LYS A 57 -26.171 10.785 0.280 1.00 40.13 C ATOM 887 C LYS A 57 -26.048 11.184 1.747 1.00 73.21 C ATOM 888 O LYS A 57 -26.766 10.667 2.602 1.00 32.42 O ATOM 889 CB LYS A 57 -25.433 9.467 0.035 1.00 44.21 C ATOM 890 CG LYS A 57 -25.881 8.743 -1.223 1.00 11.32 C ATOM 891 CD LYS A 57 -24.988 7.553 -1.530 1.00 30.25 C ATOM 892 CE LYS A 57 -23.818 7.948 -2.417 1.00 5.13 C ATOM 893 NZ LYS A 57 -23.229 6.772 -3.115 1.00 71.12 N ATOM 0 H LYS A 57 -24.679 11.681 -0.889 1.00 70.21 H new ATOM 0 HA LYS A 57 -27.227 10.652 0.045 1.00 40.13 H new ATOM 0 HB2 LYS A 57 -24.363 9.666 -0.032 1.00 44.21 H new ATOM 0 HB3 LYS A 57 -25.582 8.812 0.893 1.00 44.21 H new ATOM 0 HG2 LYS A 57 -26.910 8.405 -1.102 1.00 11.32 H new ATOM 0 HG3 LYS A 57 -25.869 9.435 -2.065 1.00 11.32 H new ATOM 0 HD2 LYS A 57 -24.613 7.129 -0.599 1.00 30.25 H new ATOM 0 HD3 LYS A 57 -25.573 6.776 -2.022 1.00 30.25 H new ATOM 0 HE2 LYS A 57 -24.152 8.678 -3.154 1.00 5.13 H new ATOM 0 HE3 LYS A 57 -23.051 8.433 -1.812 1.00 5.13 H new ATOM 0 HZ1 LYS A 57 -22.434 7.083 -3.709 1.00 71.12 H new ATOM 0 HZ2 LYS A 57 -22.887 6.086 -2.412 1.00 71.12 H new ATOM 0 HZ3 LYS A 57 -23.953 6.324 -3.712 1.00 71.12 H new ATOM 907 N MET A 58 -25.135 12.107 2.030 1.00 13.12 N ATOM 908 CA MET A 58 -24.921 12.577 3.394 1.00 35.42 C ATOM 909 C MET A 58 -26.239 12.996 4.038 1.00 54.14 C ATOM 910 O MET A 58 -26.411 12.885 5.252 1.00 44.10 O ATOM 911 CB MET A 58 -23.939 13.749 3.405 1.00 53.55 C ATOM 912 CG MET A 58 -24.590 15.089 3.100 1.00 5.32 C ATOM 913 SD MET A 58 -23.383 16.390 2.779 1.00 2.01 S ATOM 914 CE MET A 58 -24.446 17.694 2.166 1.00 51.34 C ATOM 0 H MET A 58 -24.532 12.544 1.334 1.00 13.12 H new ATOM 0 HA MET A 58 -24.500 11.755 3.973 1.00 35.42 H new ATOM 0 HB2 MET A 58 -23.459 13.801 4.382 1.00 53.55 H new ATOM 0 HB3 MET A 58 -23.153 13.561 2.674 1.00 53.55 H new ATOM 0 HG2 MET A 58 -25.243 14.983 2.234 1.00 5.32 H new ATOM 0 HG3 MET A 58 -25.220 15.382 3.940 1.00 5.32 H new ATOM 0 HE1 MET A 58 -24.053 18.661 2.479 1.00 51.34 H new ATOM 0 HE2 MET A 58 -24.483 17.652 1.077 1.00 51.34 H new ATOM 0 HE3 MET A 58 -25.451 17.564 2.568 1.00 51.34 H new ATOM 924 N ILE A 59 -27.166 13.478 3.217 1.00 74.02 N ATOM 925 CA ILE A 59 -28.468 13.913 3.707 1.00 74.02 C ATOM 926 C ILE A 59 -29.244 12.749 4.315 1.00 42.22 C ATOM 927 O ILE A 59 -29.559 12.753 5.504 1.00 3.21 O ATOM 928 CB ILE A 59 -29.311 14.545 2.583 1.00 64.22 C ATOM 929 CG1 ILE A 59 -28.506 15.628 1.861 1.00 75.25 C ATOM 930 CG2 ILE A 59 -30.600 15.123 3.148 1.00 64.32 C ATOM 931 CD1 ILE A 59 -28.067 16.758 2.765 1.00 50.25 C ATOM 0 H ILE A 59 -27.040 13.577 2.210 1.00 74.02 H new ATOM 0 HA ILE A 59 -28.281 14.663 4.475 1.00 74.02 H new ATOM 0 HB ILE A 59 -29.570 13.769 1.862 1.00 64.22 H new ATOM 0 HG12 ILE A 59 -27.625 15.173 1.408 1.00 75.25 H new ATOM 0 HG13 ILE A 59 -29.108 16.036 1.049 1.00 75.25 H new ATOM 0 HG21 ILE A 59 -31.184 15.566 2.341 1.00 64.32 H new ATOM 0 HG22 ILE A 59 -31.178 14.329 3.621 1.00 64.32 H new ATOM 0 HG23 ILE A 59 -30.362 15.889 3.887 1.00 64.32 H new ATOM 0 HD11 ILE A 59 -27.502 17.488 2.186 1.00 50.25 H new ATOM 0 HD12 ILE A 59 -28.944 17.239 3.199 1.00 50.25 H new ATOM 0 HD13 ILE A 59 -27.438 16.362 3.563 1.00 50.25 H new ATOM 943 N GLY A 60 -29.547 11.752 3.490 1.00 74.34 N ATOM 944 CA GLY A 60 -30.282 10.594 3.964 1.00 21.32 C ATOM 945 C GLY A 60 -29.465 9.737 4.912 1.00 53.53 C ATOM 946 O GLY A 60 -30.019 8.969 5.698 1.00 45.12 O ATOM 0 H GLY A 60 -29.297 11.725 2.502 1.00 74.34 H new ATOM 0 HA2 GLY A 60 -31.189 10.925 4.469 1.00 21.32 H new ATOM 0 HA3 GLY A 60 -30.594 9.991 3.111 1.00 21.32 H new ATOM 950 N ALA A 61 -28.145 9.869 4.836 1.00 21.43 N ATOM 951 CA ALA A 61 -27.251 9.101 5.694 1.00 22.12 C ATOM 952 C ALA A 61 -27.103 9.759 7.062 1.00 44.24 C ATOM 953 O ALA A 61 -26.742 9.105 8.040 1.00 51.51 O ATOM 954 CB ALA A 61 -25.890 8.943 5.032 1.00 51.52 C ATOM 0 H ALA A 61 -27.671 10.500 4.190 1.00 21.43 H new ATOM 0 HA ALA A 61 -27.688 8.113 5.840 1.00 22.12 H new ATOM 0 HB1 ALA A 61 -25.233 8.368 5.684 1.00 51.52 H new ATOM 0 HB2 ALA A 61 -26.006 8.422 4.082 1.00 51.52 H new ATOM 0 HB3 ALA A 61 -25.455 9.927 4.855 1.00 51.52 H new ATOM 960 N ALA A 62 -27.382 11.057 7.122 1.00 54.11 N ATOM 961 CA ALA A 62 -27.281 11.803 8.370 1.00 53.21 C ATOM 962 C ALA A 62 -28.107 11.146 9.471 1.00 51.22 C ATOM 963 O ALA A 62 -27.806 11.291 10.656 1.00 60.15 O ATOM 964 CB ALA A 62 -27.727 13.243 8.162 1.00 45.14 C ATOM 0 H ALA A 62 -27.680 11.614 6.321 1.00 54.11 H new ATOM 0 HA ALA A 62 -26.237 11.799 8.683 1.00 53.21 H new ATOM 0 HB1 ALA A 62 -27.646 13.788 9.102 1.00 45.14 H new ATOM 0 HB2 ALA A 62 -27.092 13.716 7.413 1.00 45.14 H new ATOM 0 HB3 ALA A 62 -28.762 13.258 7.822 1.00 45.14 H new ATOM 970 N TRP A 63 -29.149 10.425 9.072 1.00 44.21 N ATOM 971 CA TRP A 63 -30.018 9.747 10.026 1.00 74.52 C ATOM 972 C TRP A 63 -29.345 8.497 10.583 1.00 11.33 C ATOM 973 O TRP A 63 -29.365 8.257 11.790 1.00 65.24 O ATOM 974 CB TRP A 63 -31.345 9.373 9.362 1.00 64.23 C ATOM 975 CG TRP A 63 -32.466 10.305 9.708 1.00 42.31 C ATOM 976 CD1 TRP A 63 -32.363 11.632 10.014 1.00 12.22 C ATOM 977 CD2 TRP A 63 -33.858 9.980 9.785 1.00 50.22 C ATOM 978 NE1 TRP A 63 -33.608 12.152 10.277 1.00 21.40 N ATOM 979 CE2 TRP A 63 -34.542 11.159 10.142 1.00 21.22 C ATOM 980 CE3 TRP A 63 -34.594 8.809 9.585 1.00 43.24 C ATOM 981 CZ2 TRP A 63 -35.924 11.197 10.304 1.00 32.10 C ATOM 982 CZ3 TRP A 63 -35.966 8.849 9.746 1.00 64.40 C ATOM 983 CH2 TRP A 63 -36.619 10.036 10.102 1.00 74.31 C ATOM 0 H TRP A 63 -29.412 10.295 8.095 1.00 44.21 H new ATOM 0 HA TRP A 63 -30.212 10.431 10.852 1.00 74.52 H new ATOM 0 HB2 TRP A 63 -31.211 9.363 8.280 1.00 64.23 H new ATOM 0 HB3 TRP A 63 -31.619 8.361 9.659 1.00 64.23 H new ATOM 0 HD1 TRP A 63 -31.439 12.191 10.045 1.00 12.22 H new ATOM 0 HE1 TRP A 63 -33.804 13.120 10.531 1.00 21.40 H new ATOM 0 HE3 TRP A 63 -34.099 7.889 9.310 1.00 43.24 H new ATOM 0 HZ2 TRP A 63 -36.430 12.111 10.579 1.00 32.10 H new ATOM 0 HZ3 TRP A 63 -36.545 7.950 9.595 1.00 64.40 H new ATOM 0 HH2 TRP A 63 -37.693 10.035 10.219 1.00 74.31 H new ATOM 994 N ASN A 64 -28.750 7.706 9.697 1.00 21.41 N ATOM 995 CA ASN A 64 -28.070 6.480 10.102 1.00 54.20 C ATOM 996 C ASN A 64 -26.596 6.746 10.391 1.00 70.34 C ATOM 997 O ASN A 64 -25.798 5.816 10.505 1.00 33.32 O ATOM 998 CB ASN A 64 -28.205 5.414 9.013 1.00 45.34 C ATOM 999 CG ASN A 64 -29.650 5.043 8.742 1.00 23.31 C ATOM 1000 OD1 ASN A 64 -30.184 4.107 9.338 1.00 3.22 O ATOM 1001 ND2 ASN A 64 -30.290 5.776 7.839 1.00 62.13 N ATOM 0 H ASN A 64 -28.724 7.891 8.694 1.00 21.41 H new ATOM 0 HA ASN A 64 -28.541 6.117 11.016 1.00 54.20 H new ATOM 0 HB2 ASN A 64 -27.748 5.779 8.093 1.00 45.34 H new ATOM 0 HB3 ASN A 64 -27.654 4.522 9.311 1.00 45.34 H new ATOM 0 HD21 ASN A 64 -31.264 5.573 7.615 1.00 62.13 H new ATOM 0 HD22 ASN A 64 -29.808 6.542 7.370 1.00 62.13 H new ATOM 1008 N ALA A 65 -26.242 8.021 10.508 1.00 40.34 N ATOM 1009 CA ALA A 65 -24.865 8.409 10.786 1.00 43.45 C ATOM 1010 C ALA A 65 -24.483 8.085 12.226 1.00 61.12 C ATOM 1011 O ALA A 65 -23.305 7.920 12.544 1.00 4.15 O ATOM 1012 CB ALA A 65 -24.668 9.892 10.506 1.00 3.14 C ATOM 0 H ALA A 65 -26.890 8.803 10.415 1.00 40.34 H new ATOM 0 HA ALA A 65 -24.212 7.836 10.127 1.00 43.45 H new ATOM 0 HB1 ALA A 65 -23.635 10.168 10.718 1.00 3.14 H new ATOM 0 HB2 ALA A 65 -24.891 10.097 9.459 1.00 3.14 H new ATOM 0 HB3 ALA A 65 -25.337 10.474 11.140 1.00 3.14 H new ATOM 1018 N LEU A 66 -25.485 7.995 13.093 1.00 55.33 N ATOM 1019 CA LEU A 66 -25.255 7.691 14.501 1.00 64.14 C ATOM 1020 C LEU A 66 -25.132 6.186 14.719 1.00 0.45 C ATOM 1021 O LEU A 66 -25.300 5.398 13.789 1.00 23.02 O ATOM 1022 CB LEU A 66 -26.391 8.251 15.357 1.00 55.41 C ATOM 1023 CG LEU A 66 -26.181 9.660 15.914 1.00 63.30 C ATOM 1024 CD1 LEU A 66 -24.971 9.694 16.835 1.00 31.11 C ATOM 1025 CD2 LEU A 66 -26.019 10.663 14.781 1.00 71.30 C ATOM 0 H LEU A 66 -26.466 8.128 12.846 1.00 55.33 H new ATOM 0 HA LEU A 66 -24.318 8.161 14.801 1.00 64.14 H new ATOM 0 HB2 LEU A 66 -27.303 8.250 14.760 1.00 55.41 H new ATOM 0 HB3 LEU A 66 -26.557 7.572 16.194 1.00 55.41 H new ATOM 0 HG LEU A 66 -27.062 9.936 16.494 1.00 63.30 H new ATOM 0 HD11 LEU A 66 -24.837 10.704 17.222 1.00 31.11 H new ATOM 0 HD12 LEU A 66 -25.126 9.005 17.665 1.00 31.11 H new ATOM 0 HD13 LEU A 66 -24.082 9.397 16.279 1.00 31.11 H new ATOM 0 HD21 LEU A 66 -25.871 11.660 15.196 1.00 71.30 H new ATOM 0 HD22 LEU A 66 -25.155 10.390 14.174 1.00 71.30 H new ATOM 0 HD23 LEU A 66 -26.915 10.658 14.160 1.00 71.30 H new ATOM 1037 N SER A 67 -24.840 5.795 15.956 1.00 54.21 N ATOM 1038 CA SER A 67 -24.694 4.385 16.297 1.00 1.10 C ATOM 1039 C SER A 67 -26.001 3.632 16.069 1.00 13.44 C ATOM 1040 O SER A 67 -27.087 4.183 16.251 1.00 13.23 O ATOM 1041 CB SER A 67 -24.253 4.234 17.754 1.00 5.31 C ATOM 1042 OG SER A 67 -24.227 2.871 18.141 1.00 50.23 O ATOM 0 H SER A 67 -24.700 6.435 16.738 1.00 54.21 H new ATOM 0 HA SER A 67 -23.931 3.957 15.647 1.00 1.10 H new ATOM 0 HB2 SER A 67 -23.263 4.671 17.885 1.00 5.31 H new ATOM 0 HB3 SER A 67 -24.933 4.786 18.402 1.00 5.31 H new ATOM 0 HG SER A 67 -23.940 2.802 19.076 1.00 50.23 H new ATOM 1048 N ASP A 68 -25.888 2.370 15.670 1.00 11.52 N ATOM 1049 CA ASP A 68 -27.060 1.540 15.418 1.00 12.21 C ATOM 1050 C ASP A 68 -27.776 1.200 16.722 1.00 42.03 C ATOM 1051 O ASP A 68 -28.960 1.492 16.885 1.00 70.44 O ATOM 1052 CB ASP A 68 -26.655 0.255 14.694 1.00 53.42 C ATOM 1053 CG ASP A 68 -25.867 0.528 13.428 1.00 4.32 C ATOM 1054 OD1 ASP A 68 -25.995 1.642 12.878 1.00 20.11 O ATOM 1055 OD2 ASP A 68 -25.122 -0.372 12.987 1.00 24.02 O ATOM 0 H ASP A 68 -24.997 1.899 15.514 1.00 11.52 H new ATOM 0 HA ASP A 68 -27.745 2.104 14.785 1.00 12.21 H new ATOM 0 HB2 ASP A 68 -26.058 -0.363 15.364 1.00 53.42 H new ATOM 0 HB3 ASP A 68 -27.550 -0.316 14.446 1.00 53.42 H new ATOM 1060 N GLU A 69 -27.048 0.581 17.646 1.00 32.22 N ATOM 1061 CA GLU A 69 -27.615 0.199 18.934 1.00 11.54 C ATOM 1062 C GLU A 69 -28.153 1.420 19.675 1.00 2.51 C ATOM 1063 O GLU A 69 -29.050 1.307 20.510 1.00 63.12 O ATOM 1064 CB GLU A 69 -26.562 -0.507 19.791 1.00 73.43 C ATOM 1065 CG GLU A 69 -26.038 -1.793 19.173 1.00 50.32 C ATOM 1066 CD GLU A 69 -24.739 -2.255 19.803 1.00 64.22 C ATOM 1067 OE1 GLU A 69 -23.764 -1.474 19.797 1.00 75.14 O ATOM 1068 OE2 GLU A 69 -24.697 -3.399 20.303 1.00 65.04 O ATOM 0 H GLU A 69 -26.066 0.334 17.527 1.00 32.22 H new ATOM 0 HA GLU A 69 -28.442 -0.487 18.749 1.00 11.54 H new ATOM 0 HB2 GLU A 69 -25.726 0.173 19.958 1.00 73.43 H new ATOM 0 HB3 GLU A 69 -26.991 -0.731 20.768 1.00 73.43 H new ATOM 0 HG2 GLU A 69 -26.789 -2.576 19.281 1.00 50.32 H new ATOM 0 HG3 GLU A 69 -25.886 -1.643 18.104 1.00 50.32 H new ATOM 1075 N GLU A 70 -27.597 2.587 19.363 1.00 40.12 N ATOM 1076 CA GLU A 70 -28.020 3.829 20.000 1.00 62.32 C ATOM 1077 C GLU A 70 -29.081 4.536 19.162 1.00 42.32 C ATOM 1078 O GLU A 70 -29.600 5.583 19.551 1.00 71.41 O ATOM 1079 CB GLU A 70 -26.820 4.754 20.210 1.00 4.34 C ATOM 1080 CG GLU A 70 -26.962 5.671 21.414 1.00 64.21 C ATOM 1081 CD GLU A 70 -25.623 6.070 22.004 1.00 31.25 C ATOM 1082 OE1 GLU A 70 -24.591 5.854 21.336 1.00 61.02 O ATOM 1083 OE2 GLU A 70 -25.609 6.598 23.136 1.00 44.40 O ATOM 0 H GLU A 70 -26.853 2.698 18.674 1.00 40.12 H new ATOM 0 HA GLU A 70 -28.453 3.582 20.969 1.00 62.32 H new ATOM 0 HB2 GLU A 70 -25.922 4.148 20.329 1.00 4.34 H new ATOM 0 HB3 GLU A 70 -26.679 5.361 19.316 1.00 4.34 H new ATOM 0 HG2 GLU A 70 -27.507 6.568 21.121 1.00 64.21 H new ATOM 0 HG3 GLU A 70 -27.557 5.172 22.178 1.00 64.21 H new ATOM 1090 N LYS A 71 -29.398 3.958 18.008 1.00 3.03 N ATOM 1091 CA LYS A 71 -30.397 4.531 17.114 1.00 63.32 C ATOM 1092 C LYS A 71 -31.794 4.030 17.467 1.00 43.41 C ATOM 1093 O LYS A 71 -32.796 4.579 17.007 1.00 4.14 O ATOM 1094 CB LYS A 71 -30.070 4.180 15.660 1.00 12.43 C ATOM 1095 CG LYS A 71 -29.776 5.393 14.794 1.00 65.31 C ATOM 1096 CD LYS A 71 -30.308 5.212 13.382 1.00 25.22 C ATOM 1097 CE LYS A 71 -29.665 4.018 12.693 1.00 22.21 C ATOM 1098 NZ LYS A 71 -28.182 4.141 12.639 1.00 63.04 N ATOM 0 H LYS A 71 -28.977 3.093 17.670 1.00 3.03 H new ATOM 0 HA LYS A 71 -30.378 5.614 17.234 1.00 63.32 H new ATOM 0 HB2 LYS A 71 -29.208 3.513 15.641 1.00 12.43 H new ATOM 0 HB3 LYS A 71 -30.908 3.631 15.230 1.00 12.43 H new ATOM 0 HG2 LYS A 71 -30.226 6.279 15.242 1.00 65.31 H new ATOM 0 HG3 LYS A 71 -28.700 5.564 14.759 1.00 65.31 H new ATOM 0 HD2 LYS A 71 -31.389 5.076 13.414 1.00 25.22 H new ATOM 0 HD3 LYS A 71 -30.117 6.115 12.802 1.00 25.22 H new ATOM 0 HE2 LYS A 71 -29.935 3.104 13.223 1.00 22.21 H new ATOM 0 HE3 LYS A 71 -30.059 3.927 11.681 1.00 22.21 H new ATOM 0 HZ1 LYS A 71 -27.841 3.821 11.710 1.00 63.04 H new ATOM 0 HZ2 LYS A 71 -27.911 5.134 12.785 1.00 63.04 H new ATOM 0 HZ3 LYS A 71 -27.758 3.553 13.385 1.00 63.04 H new ATOM 1112 N LYS A 72 -31.854 2.987 18.287 1.00 63.42 N ATOM 1113 CA LYS A 72 -33.128 2.413 18.705 1.00 43.45 C ATOM 1114 C LYS A 72 -33.907 3.395 19.573 1.00 13.33 C ATOM 1115 O LYS A 72 -35.076 3.691 19.323 1.00 70.52 O ATOM 1116 CB LYS A 72 -32.897 1.109 19.472 1.00 43.55 C ATOM 1117 CG LYS A 72 -31.752 0.276 18.923 1.00 62.32 C ATOM 1118 CD LYS A 72 -31.877 0.075 17.422 1.00 55.22 C ATOM 1119 CE LYS A 72 -31.255 -1.241 16.981 1.00 2.32 C ATOM 1120 NZ LYS A 72 -31.557 -1.548 15.556 1.00 55.21 N ATOM 0 H LYS A 72 -31.034 2.521 18.676 1.00 63.42 H new ATOM 0 HA LYS A 72 -33.714 2.201 17.811 1.00 43.45 H new ATOM 0 HB2 LYS A 72 -32.697 1.343 20.518 1.00 43.55 H new ATOM 0 HB3 LYS A 72 -33.811 0.516 19.448 1.00 43.55 H new ATOM 0 HG2 LYS A 72 -30.804 0.766 19.148 1.00 62.32 H new ATOM 0 HG3 LYS A 72 -31.735 -0.694 19.421 1.00 62.32 H new ATOM 0 HD2 LYS A 72 -32.929 0.094 17.138 1.00 55.22 H new ATOM 0 HD3 LYS A 72 -31.391 0.900 16.902 1.00 55.22 H new ATOM 0 HE2 LYS A 72 -30.175 -1.197 17.122 1.00 2.32 H new ATOM 0 HE3 LYS A 72 -31.626 -2.048 17.613 1.00 2.32 H new ATOM 0 HZ1 LYS A 72 -31.115 -2.453 15.295 1.00 55.21 H new ATOM 0 HZ2 LYS A 72 -32.587 -1.615 15.426 1.00 55.21 H new ATOM 0 HZ3 LYS A 72 -31.180 -0.791 14.950 1.00 55.21 H new ATOM 1134 N PRO A 73 -33.247 3.915 20.619 1.00 50.33 N ATOM 1135 CA PRO A 73 -33.859 4.873 21.544 1.00 2.51 C ATOM 1136 C PRO A 73 -34.101 6.232 20.896 1.00 44.33 C ATOM 1137 O PRO A 73 -34.871 7.046 21.406 1.00 4.20 O ATOM 1138 CB PRO A 73 -32.824 4.993 22.666 1.00 34.11 C ATOM 1139 CG PRO A 73 -31.528 4.637 22.025 1.00 25.32 C ATOM 1140 CD PRO A 73 -31.852 3.608 20.977 1.00 12.33 C ATOM 0 HA PRO A 73 -34.840 4.541 21.883 1.00 2.51 H new ATOM 0 HB2 PRO A 73 -32.799 6.003 23.075 1.00 34.11 H new ATOM 0 HB3 PRO A 73 -33.055 4.320 23.492 1.00 34.11 H new ATOM 0 HG2 PRO A 73 -31.060 5.514 21.579 1.00 25.32 H new ATOM 0 HG3 PRO A 73 -30.826 4.239 22.758 1.00 25.32 H new ATOM 0 HD2 PRO A 73 -31.189 3.689 20.116 1.00 12.33 H new ATOM 0 HD3 PRO A 73 -31.750 2.594 21.364 1.00 12.33 H new ATOM 1148 N TYR A 74 -33.439 6.471 19.769 1.00 61.21 N ATOM 1149 CA TYR A 74 -33.581 7.732 19.052 1.00 43.42 C ATOM 1150 C TYR A 74 -33.081 8.899 19.898 1.00 13.41 C ATOM 1151 O TYR A 74 -33.522 10.036 19.729 1.00 60.31 O ATOM 1152 CB TYR A 74 -35.042 7.960 18.661 1.00 31.24 C ATOM 1153 CG TYR A 74 -35.708 6.737 18.071 1.00 15.45 C ATOM 1154 CD1 TYR A 74 -35.253 6.179 16.884 1.00 75.24 C ATOM 1155 CD2 TYR A 74 -36.793 6.141 18.703 1.00 61.51 C ATOM 1156 CE1 TYR A 74 -35.860 5.063 16.341 1.00 61.42 C ATOM 1157 CE2 TYR A 74 -37.405 5.023 18.168 1.00 4.22 C ATOM 1158 CZ TYR A 74 -36.935 4.488 16.987 1.00 42.32 C ATOM 1159 OH TYR A 74 -37.541 3.376 16.450 1.00 23.51 O ATOM 0 H TYR A 74 -32.799 5.808 19.333 1.00 61.21 H new ATOM 0 HA TYR A 74 -32.975 7.676 18.148 1.00 43.42 H new ATOM 0 HB2 TYR A 74 -35.600 8.278 19.542 1.00 31.24 H new ATOM 0 HB3 TYR A 74 -35.093 8.775 17.939 1.00 31.24 H new ATOM 0 HD1 TYR A 74 -34.410 6.625 16.377 1.00 75.24 H new ATOM 0 HD2 TYR A 74 -37.164 6.558 19.627 1.00 61.51 H new ATOM 0 HE1 TYR A 74 -35.495 4.643 15.416 1.00 61.42 H new ATOM 0 HE2 TYR A 74 -38.246 4.571 18.672 1.00 4.22 H new ATOM 0 HH TYR A 74 -38.281 3.095 17.028 1.00 23.51 H new ATOM 1169 N GLU A 75 -32.158 8.609 20.809 1.00 21.52 N ATOM 1170 CA GLU A 75 -31.598 9.633 21.683 1.00 50.34 C ATOM 1171 C GLU A 75 -30.502 10.418 20.968 1.00 63.24 C ATOM 1172 O GLU A 75 -30.595 11.636 20.813 1.00 73.40 O ATOM 1173 CB GLU A 75 -31.038 8.998 22.957 1.00 43.31 C ATOM 1174 CG GLU A 75 -32.076 8.811 24.051 1.00 64.54 C ATOM 1175 CD GLU A 75 -32.287 10.065 24.875 1.00 15.24 C ATOM 1176 OE1 GLU A 75 -31.553 11.051 24.654 1.00 22.34 O ATOM 1177 OE2 GLU A 75 -33.187 10.062 25.741 1.00 20.24 O ATOM 0 H GLU A 75 -31.782 7.673 20.961 1.00 21.52 H new ATOM 0 HA GLU A 75 -32.398 10.322 21.952 1.00 50.34 H new ATOM 0 HB2 GLU A 75 -30.605 8.029 22.710 1.00 43.31 H new ATOM 0 HB3 GLU A 75 -30.229 9.621 23.338 1.00 43.31 H new ATOM 0 HG2 GLU A 75 -33.023 8.513 23.601 1.00 64.54 H new ATOM 0 HG3 GLU A 75 -31.765 7.998 24.707 1.00 64.54 H new ATOM 1184 N ARG A 76 -29.463 9.711 20.534 1.00 20.14 N ATOM 1185 CA ARG A 76 -28.348 10.340 19.838 1.00 43.44 C ATOM 1186 C ARG A 76 -28.762 10.783 18.437 1.00 24.22 C ATOM 1187 O ARG A 76 -28.529 11.925 18.043 1.00 52.04 O ATOM 1188 CB ARG A 76 -27.164 9.376 19.750 1.00 24.21 C ATOM 1189 CG ARG A 76 -26.260 9.408 20.972 1.00 35.42 C ATOM 1190 CD ARG A 76 -25.524 10.733 21.087 1.00 54.34 C ATOM 1191 NE ARG A 76 -24.290 10.609 21.857 1.00 0.31 N ATOM 1192 CZ ARG A 76 -24.257 10.512 23.181 1.00 21.44 C ATOM 1193 NH1 ARG A 76 -25.385 10.523 23.879 1.00 44.13 N ATOM 1194 NH2 ARG A 76 -23.094 10.402 23.811 1.00 70.30 N ATOM 0 H ARG A 76 -29.371 8.702 20.653 1.00 20.14 H new ATOM 0 HA ARG A 76 -28.049 11.221 20.406 1.00 43.44 H new ATOM 0 HB2 ARG A 76 -27.541 8.362 19.614 1.00 24.21 H new ATOM 0 HB3 ARG A 76 -26.574 9.618 18.866 1.00 24.21 H new ATOM 0 HG2 ARG A 76 -26.855 9.242 21.870 1.00 35.42 H new ATOM 0 HG3 ARG A 76 -25.538 8.594 20.913 1.00 35.42 H new ATOM 0 HD2 ARG A 76 -25.293 11.107 20.090 1.00 54.34 H new ATOM 0 HD3 ARG A 76 -26.174 11.469 21.560 1.00 54.34 H new ATOM 0 HE ARG A 76 -23.405 10.596 21.350 1.00 0.31 H new ATOM 0 HH11 ARG A 76 -26.281 10.606 23.399 1.00 44.13 H new ATOM 0 HH12 ARG A 76 -25.356 10.448 24.896 1.00 44.13 H new ATOM 0 HH21 ARG A 76 -22.224 10.392 23.278 1.00 70.30 H new ATOM 0 HH22 ARG A 76 -23.070 10.328 24.828 1.00 70.30 H new ATOM 1208 N MET A 77 -29.375 9.870 17.691 1.00 15.21 N ATOM 1209 CA MET A 77 -29.822 10.167 16.335 1.00 32.00 C ATOM 1210 C MET A 77 -30.654 11.445 16.304 1.00 1.31 C ATOM 1211 O MET A 77 -30.597 12.211 15.342 1.00 75.54 O ATOM 1212 CB MET A 77 -30.639 9.000 15.777 1.00 21.33 C ATOM 1213 CG MET A 77 -31.519 9.382 14.598 1.00 5.10 C ATOM 1214 SD MET A 77 -32.466 7.988 13.958 1.00 53.33 S ATOM 1215 CE MET A 77 -32.230 8.199 12.195 1.00 44.32 C ATOM 0 H MET A 77 -29.573 8.919 18.002 1.00 15.21 H new ATOM 0 HA MET A 77 -28.939 10.314 15.713 1.00 32.00 H new ATOM 0 HB2 MET A 77 -29.959 8.205 15.470 1.00 21.33 H new ATOM 0 HB3 MET A 77 -31.266 8.594 16.571 1.00 21.33 H new ATOM 0 HG2 MET A 77 -32.205 10.173 14.903 1.00 5.10 H new ATOM 0 HG3 MET A 77 -30.896 9.789 13.802 1.00 5.10 H new ATOM 0 HE1 MET A 77 -33.197 8.177 11.693 1.00 44.32 H new ATOM 0 HE2 MET A 77 -31.745 9.156 12.005 1.00 44.32 H new ATOM 0 HE3 MET A 77 -31.604 7.393 11.813 1.00 44.32 H new ATOM 1225 N SER A 78 -31.425 11.670 17.363 1.00 73.10 N ATOM 1226 CA SER A 78 -32.272 12.854 17.455 1.00 62.33 C ATOM 1227 C SER A 78 -31.445 14.087 17.808 1.00 73.43 C ATOM 1228 O SER A 78 -31.505 15.106 17.120 1.00 74.35 O ATOM 1229 CB SER A 78 -33.367 12.643 18.502 1.00 54.44 C ATOM 1230 OG SER A 78 -34.132 13.823 18.684 1.00 63.31 O ATOM 0 H SER A 78 -31.481 11.048 18.170 1.00 73.10 H new ATOM 0 HA SER A 78 -32.736 13.016 16.482 1.00 62.33 H new ATOM 0 HB2 SER A 78 -34.019 11.827 18.191 1.00 54.44 H new ATOM 0 HB3 SER A 78 -32.917 12.348 19.450 1.00 54.44 H new ATOM 0 HG SER A 78 -34.826 13.662 19.357 1.00 63.31 H new ATOM 1236 N ASP A 79 -30.674 13.985 18.885 1.00 53.43 N ATOM 1237 CA ASP A 79 -29.834 15.091 19.330 1.00 20.10 C ATOM 1238 C ASP A 79 -28.829 15.479 18.250 1.00 51.11 C ATOM 1239 O ASP A 79 -28.285 16.583 18.263 1.00 35.11 O ATOM 1240 CB ASP A 79 -29.098 14.714 20.617 1.00 52.02 C ATOM 1241 CG ASP A 79 -28.263 15.856 21.162 1.00 61.12 C ATOM 1242 OD1 ASP A 79 -28.842 16.916 21.480 1.00 20.22 O ATOM 1243 OD2 ASP A 79 -27.030 15.689 21.271 1.00 53.33 O ATOM 0 H ASP A 79 -30.613 13.149 19.466 1.00 53.43 H new ATOM 0 HA ASP A 79 -30.478 15.948 19.526 1.00 20.10 H new ATOM 0 HB2 ASP A 79 -29.823 14.406 21.370 1.00 52.02 H new ATOM 0 HB3 ASP A 79 -28.454 13.856 20.426 1.00 52.02 H new ATOM 1248 N GLU A 80 -28.587 14.563 17.317 1.00 12.40 N ATOM 1249 CA GLU A 80 -27.646 14.810 16.231 1.00 0.31 C ATOM 1250 C GLU A 80 -28.057 16.038 15.423 1.00 11.04 C ATOM 1251 O GLU A 80 -27.245 16.622 14.706 1.00 52.53 O ATOM 1252 CB GLU A 80 -27.559 13.589 15.314 1.00 72.51 C ATOM 1253 CG GLU A 80 -26.850 13.864 13.999 1.00 63.12 C ATOM 1254 CD GLU A 80 -27.813 14.181 12.871 1.00 30.05 C ATOM 1255 OE1 GLU A 80 -28.988 14.487 13.164 1.00 21.04 O ATOM 1256 OE2 GLU A 80 -27.393 14.123 11.697 1.00 23.02 O ATOM 0 H GLU A 80 -29.029 13.644 17.292 1.00 12.40 H new ATOM 0 HA GLU A 80 -26.666 14.996 16.670 1.00 0.31 H new ATOM 0 HB2 GLU A 80 -27.037 12.788 15.838 1.00 72.51 H new ATOM 0 HB3 GLU A 80 -28.567 13.229 15.105 1.00 72.51 H new ATOM 0 HG2 GLU A 80 -26.162 14.699 14.129 1.00 63.12 H new ATOM 0 HG3 GLU A 80 -26.250 12.996 13.726 1.00 63.12 H new ATOM 1263 N ASP A 81 -29.323 16.422 15.546 1.00 43.53 N ATOM 1264 CA ASP A 81 -29.843 17.581 14.828 1.00 22.41 C ATOM 1265 C ASP A 81 -28.909 18.778 14.979 1.00 33.33 C ATOM 1266 O ASP A 81 -28.860 19.652 14.114 1.00 15.43 O ATOM 1267 CB ASP A 81 -31.239 17.939 15.339 1.00 11.20 C ATOM 1268 CG ASP A 81 -32.327 17.115 14.679 1.00 64.33 C ATOM 1269 OD1 ASP A 81 -31.998 16.067 14.085 1.00 61.14 O ATOM 1270 OD2 ASP A 81 -33.506 17.518 14.755 1.00 33.34 O ATOM 0 H ASP A 81 -30.008 15.949 16.135 1.00 43.53 H new ATOM 0 HA ASP A 81 -29.906 17.325 13.771 1.00 22.41 H new ATOM 0 HB2 ASP A 81 -31.277 17.788 16.418 1.00 11.20 H new ATOM 0 HB3 ASP A 81 -31.429 18.997 15.158 1.00 11.20 H new ATOM 1275 N ARG A 82 -28.171 18.810 16.084 1.00 51.11 N ATOM 1276 CA ARG A 82 -27.241 19.901 16.350 1.00 70.05 C ATOM 1277 C ARG A 82 -25.890 19.636 15.692 1.00 61.40 C ATOM 1278 O ARG A 82 -25.435 20.409 14.849 1.00 11.21 O ATOM 1279 CB ARG A 82 -27.059 20.088 17.857 1.00 43.52 C ATOM 1280 CG ARG A 82 -25.925 21.034 18.220 1.00 32.32 C ATOM 1281 CD ARG A 82 -26.119 22.404 17.590 1.00 63.14 C ATOM 1282 NE ARG A 82 -25.572 23.472 18.422 1.00 24.21 N ATOM 1283 CZ ARG A 82 -26.162 23.920 19.524 1.00 12.22 C ATOM 1284 NH1 ARG A 82 -27.312 23.396 19.924 1.00 33.44 N ATOM 1285 NH2 ARG A 82 -25.602 24.895 20.229 1.00 51.22 N ATOM 0 H ARG A 82 -28.199 18.093 16.809 1.00 51.11 H new ATOM 0 HA ARG A 82 -27.659 20.814 15.926 1.00 70.05 H new ATOM 0 HB2 ARG A 82 -27.988 20.468 18.282 1.00 43.52 H new ATOM 0 HB3 ARG A 82 -26.872 19.117 18.315 1.00 43.52 H new ATOM 0 HG2 ARG A 82 -25.867 21.136 19.304 1.00 32.32 H new ATOM 0 HG3 ARG A 82 -24.977 20.611 17.889 1.00 32.32 H new ATOM 0 HD2 ARG A 82 -25.638 22.424 16.612 1.00 63.14 H new ATOM 0 HD3 ARG A 82 -27.182 22.580 17.427 1.00 63.14 H new ATOM 0 HE ARG A 82 -24.688 23.897 18.141 1.00 24.21 H new ATOM 0 HH11 ARG A 82 -27.746 22.647 19.385 1.00 33.44 H new ATOM 0 HH12 ARG A 82 -27.763 23.742 20.771 1.00 33.44 H new ATOM 0 HH21 ARG A 82 -24.717 25.301 19.925 1.00 51.22 H new ATOM 0 HH22 ARG A 82 -26.056 25.238 21.075 1.00 51.22 H new ATOM 1299 N VAL A 83 -25.252 18.537 16.084 1.00 74.12 N ATOM 1300 CA VAL A 83 -23.954 18.169 15.533 1.00 62.15 C ATOM 1301 C VAL A 83 -24.015 18.050 14.014 1.00 51.21 C ATOM 1302 O VAL A 83 -22.997 18.160 13.331 1.00 43.32 O ATOM 1303 CB VAL A 83 -23.451 16.837 16.121 1.00 75.13 C ATOM 1304 CG1 VAL A 83 -23.548 16.853 17.639 1.00 74.04 C ATOM 1305 CG2 VAL A 83 -24.235 15.669 15.540 1.00 13.55 C ATOM 0 H VAL A 83 -25.614 17.886 16.781 1.00 74.12 H new ATOM 0 HA VAL A 83 -23.259 18.963 15.805 1.00 62.15 H new ATOM 0 HB VAL A 83 -22.403 16.712 15.850 1.00 75.13 H new ATOM 0 HG11 VAL A 83 -23.188 15.904 18.037 1.00 74.04 H new ATOM 0 HG12 VAL A 83 -22.939 17.666 18.034 1.00 74.04 H new ATOM 0 HG13 VAL A 83 -24.586 17.000 17.936 1.00 74.04 H new ATOM 0 HG21 VAL A 83 -23.867 14.736 15.966 1.00 13.55 H new ATOM 0 HG22 VAL A 83 -25.292 15.785 15.780 1.00 13.55 H new ATOM 0 HG23 VAL A 83 -24.109 15.648 14.458 1.00 13.55 H new ATOM 1315 N ARG A 84 -25.216 17.825 13.491 1.00 12.44 N ATOM 1316 CA ARG A 84 -25.411 17.691 12.053 1.00 43.12 C ATOM 1317 C ARG A 84 -24.732 18.834 11.303 1.00 23.33 C ATOM 1318 O ARG A 84 -24.287 18.667 10.167 1.00 20.14 O ATOM 1319 CB ARG A 84 -26.903 17.664 11.719 1.00 73.32 C ATOM 1320 CG ARG A 84 -27.513 19.045 11.542 1.00 34.42 C ATOM 1321 CD ARG A 84 -29.015 18.965 11.315 1.00 42.33 C ATOM 1322 NE ARG A 84 -29.345 18.752 9.908 1.00 2.40 N ATOM 1323 CZ ARG A 84 -29.179 19.675 8.967 1.00 70.35 C ATOM 1324 NH1 ARG A 84 -28.690 20.866 9.280 1.00 5.31 N ATOM 1325 NH2 ARG A 84 -29.503 19.406 7.708 1.00 23.41 N ATOM 0 H ARG A 84 -26.069 17.732 14.042 1.00 12.44 H new ATOM 0 HA ARG A 84 -24.958 16.751 11.737 1.00 43.12 H new ATOM 0 HB2 ARG A 84 -27.051 17.091 10.804 1.00 73.32 H new ATOM 0 HB3 ARG A 84 -27.435 17.140 12.513 1.00 73.32 H new ATOM 0 HG2 ARG A 84 -27.309 19.650 12.425 1.00 34.42 H new ATOM 0 HG3 ARG A 84 -27.042 19.546 10.696 1.00 34.42 H new ATOM 0 HD2 ARG A 84 -29.429 18.152 11.912 1.00 42.33 H new ATOM 0 HD3 ARG A 84 -29.484 19.886 11.662 1.00 42.33 H new ATOM 0 HE ARG A 84 -29.723 17.846 9.633 1.00 2.40 H new ATOM 0 HH11 ARG A 84 -28.440 21.077 10.246 1.00 5.31 H new ATOM 0 HH12 ARG A 84 -28.564 21.572 8.555 1.00 5.31 H new ATOM 0 HH21 ARG A 84 -29.880 18.490 7.463 1.00 23.41 H new ATOM 0 HH22 ARG A 84 -29.375 20.115 6.986 1.00 23.41 H new ATOM 1339 N TYR A 85 -24.656 19.994 11.946 1.00 32.54 N ATOM 1340 CA TYR A 85 -24.034 21.165 11.340 1.00 74.31 C ATOM 1341 C TYR A 85 -22.537 20.948 11.147 1.00 63.33 C ATOM 1342 O TYR A 85 -21.980 21.286 10.103 1.00 4.22 O ATOM 1343 CB TYR A 85 -24.274 22.402 12.207 1.00 72.11 C ATOM 1344 CG TYR A 85 -24.007 23.705 11.489 1.00 54.43 C ATOM 1345 CD1 TYR A 85 -22.712 24.090 11.164 1.00 71.43 C ATOM 1346 CD2 TYR A 85 -25.050 24.553 11.136 1.00 0.30 C ATOM 1347 CE1 TYR A 85 -22.463 25.280 10.508 1.00 34.12 C ATOM 1348 CE2 TYR A 85 -24.811 25.745 10.479 1.00 23.31 C ATOM 1349 CZ TYR A 85 -23.516 26.104 10.168 1.00 61.34 C ATOM 1350 OH TYR A 85 -23.273 27.290 9.515 1.00 53.54 O ATOM 0 H TYR A 85 -25.018 20.148 12.887 1.00 32.54 H new ATOM 0 HA TYR A 85 -24.489 21.321 10.362 1.00 74.31 H new ATOM 0 HB2 TYR A 85 -25.306 22.395 12.558 1.00 72.11 H new ATOM 0 HB3 TYR A 85 -23.637 22.346 13.090 1.00 72.11 H new ATOM 0 HD1 TYR A 85 -21.885 23.447 11.429 1.00 71.43 H new ATOM 0 HD2 TYR A 85 -26.065 24.276 11.379 1.00 0.30 H new ATOM 0 HE1 TYR A 85 -21.450 25.564 10.263 1.00 34.12 H new ATOM 0 HE2 TYR A 85 -25.633 26.392 10.211 1.00 23.31 H new ATOM 0 HH TYR A 85 -24.121 27.751 9.348 1.00 53.54 H new ATOM 1360 N GLU A 86 -21.892 20.380 12.161 1.00 2.13 N ATOM 1361 CA GLU A 86 -20.459 20.118 12.104 1.00 64.34 C ATOM 1362 C GLU A 86 -20.167 18.866 11.281 1.00 34.44 C ATOM 1363 O GLU A 86 -19.155 18.789 10.585 1.00 30.11 O ATOM 1364 CB GLU A 86 -19.890 19.958 13.515 1.00 44.11 C ATOM 1365 CG GLU A 86 -20.396 21.001 14.497 1.00 51.21 C ATOM 1366 CD GLU A 86 -20.377 22.403 13.920 1.00 54.31 C ATOM 1367 OE1 GLU A 86 -19.276 22.904 13.611 1.00 21.11 O ATOM 1368 OE2 GLU A 86 -21.465 23.000 13.777 1.00 73.11 O ATOM 0 H GLU A 86 -22.339 20.093 13.032 1.00 2.13 H new ATOM 0 HA GLU A 86 -19.979 20.970 11.621 1.00 64.34 H new ATOM 0 HB2 GLU A 86 -20.143 18.966 13.889 1.00 44.11 H new ATOM 0 HB3 GLU A 86 -18.802 20.013 13.468 1.00 44.11 H new ATOM 0 HG2 GLU A 86 -21.413 20.749 14.797 1.00 51.21 H new ATOM 0 HG3 GLU A 86 -19.783 20.974 15.398 1.00 51.21 H new ATOM 1375 N ARG A 87 -21.062 17.887 11.368 1.00 21.52 N ATOM 1376 CA ARG A 87 -20.901 16.637 10.634 1.00 2.14 C ATOM 1377 C ARG A 87 -20.868 16.890 9.130 1.00 1.51 C ATOM 1378 O ARG A 87 -20.081 16.282 8.406 1.00 4.02 O ATOM 1379 CB ARG A 87 -22.037 15.671 10.975 1.00 61.21 C ATOM 1380 CG ARG A 87 -21.985 14.370 10.191 1.00 74.23 C ATOM 1381 CD ARG A 87 -23.015 14.352 9.072 1.00 13.41 C ATOM 1382 NE ARG A 87 -22.977 13.106 8.312 1.00 44.13 N ATOM 1383 CZ ARG A 87 -21.986 12.777 7.490 1.00 11.01 C ATOM 1384 NH1 ARG A 87 -20.958 13.597 7.324 1.00 41.52 N ATOM 1385 NH2 ARG A 87 -22.023 11.625 6.833 1.00 64.20 N ATOM 0 H ARG A 87 -21.906 17.935 11.939 1.00 21.52 H new ATOM 0 HA ARG A 87 -19.952 16.190 10.930 1.00 2.14 H new ATOM 0 HB2 ARG A 87 -22.003 15.445 12.041 1.00 61.21 H new ATOM 0 HB3 ARG A 87 -22.991 16.163 10.784 1.00 61.21 H new ATOM 0 HG2 ARG A 87 -20.988 14.236 9.771 1.00 74.23 H new ATOM 0 HG3 ARG A 87 -22.163 13.531 10.864 1.00 74.23 H new ATOM 0 HD2 ARG A 87 -24.011 14.489 9.494 1.00 13.41 H new ATOM 0 HD3 ARG A 87 -22.835 15.192 8.401 1.00 13.41 H new ATOM 0 HE ARG A 87 -23.753 12.453 8.418 1.00 44.13 H new ATOM 0 HH11 ARG A 87 -20.926 14.483 7.828 1.00 41.52 H new ATOM 0 HH12 ARG A 87 -20.199 13.342 6.692 1.00 41.52 H new ATOM 0 HH21 ARG A 87 -22.812 10.991 6.959 1.00 64.20 H new ATOM 0 HH22 ARG A 87 -21.262 11.373 6.202 1.00 64.20 H new ATOM 1399 N GLU A 88 -21.729 17.792 8.668 1.00 44.11 N ATOM 1400 CA GLU A 88 -21.798 18.124 7.250 1.00 51.12 C ATOM 1401 C GLU A 88 -20.477 18.714 6.764 1.00 72.23 C ATOM 1402 O GLU A 88 -20.157 18.655 5.576 1.00 12.12 O ATOM 1403 CB GLU A 88 -22.937 19.113 6.990 1.00 61.52 C ATOM 1404 CG GLU A 88 -23.377 19.165 5.537 1.00 51.35 C ATOM 1405 CD GLU A 88 -24.563 18.263 5.253 1.00 44.40 C ATOM 1406 OE1 GLU A 88 -24.515 17.079 5.645 1.00 21.12 O ATOM 1407 OE2 GLU A 88 -25.539 18.743 4.639 1.00 45.04 O ATOM 0 H GLU A 88 -22.387 18.305 9.254 1.00 44.11 H new ATOM 0 HA GLU A 88 -21.991 17.205 6.697 1.00 51.12 H new ATOM 0 HB2 GLU A 88 -23.791 18.842 7.610 1.00 61.52 H new ATOM 0 HB3 GLU A 88 -22.621 20.109 7.301 1.00 61.52 H new ATOM 0 HG2 GLU A 88 -23.635 20.191 5.276 1.00 51.35 H new ATOM 0 HG3 GLU A 88 -22.543 18.874 4.898 1.00 51.35 H new ATOM 1414 N LYS A 89 -19.714 19.283 7.690 1.00 3.02 N ATOM 1415 CA LYS A 89 -18.427 19.884 7.359 1.00 71.41 C ATOM 1416 C LYS A 89 -17.533 18.887 6.628 1.00 74.30 C ATOM 1417 O LYS A 89 -16.862 19.236 5.657 1.00 34.04 O ATOM 1418 CB LYS A 89 -17.728 20.375 8.629 1.00 55.34 C ATOM 1419 CG LYS A 89 -16.852 21.596 8.407 1.00 54.11 C ATOM 1420 CD LYS A 89 -17.577 22.878 8.781 1.00 12.11 C ATOM 1421 CE LYS A 89 -18.292 23.484 7.583 1.00 13.13 C ATOM 1422 NZ LYS A 89 -17.333 24.003 6.569 1.00 13.00 N ATOM 0 H LYS A 89 -19.964 19.341 8.677 1.00 3.02 H new ATOM 0 HA LYS A 89 -18.610 20.733 6.700 1.00 71.41 H new ATOM 0 HB2 LYS A 89 -18.481 20.610 9.381 1.00 55.34 H new ATOM 0 HB3 LYS A 89 -17.117 19.568 9.032 1.00 55.34 H new ATOM 0 HG2 LYS A 89 -15.942 21.505 9.001 1.00 54.11 H new ATOM 0 HG3 LYS A 89 -16.547 21.641 7.361 1.00 54.11 H new ATOM 0 HD2 LYS A 89 -18.299 22.672 9.571 1.00 12.11 H new ATOM 0 HD3 LYS A 89 -16.863 23.597 9.182 1.00 12.11 H new ATOM 0 HE2 LYS A 89 -18.934 22.732 7.124 1.00 13.13 H new ATOM 0 HE3 LYS A 89 -18.940 24.294 7.918 1.00 13.13 H new ATOM 0 HZ1 LYS A 89 -17.801 24.727 5.987 1.00 13.00 H new ATOM 0 HZ2 LYS A 89 -16.512 24.423 7.050 1.00 13.00 H new ATOM 0 HZ3 LYS A 89 -17.015 23.222 5.960 1.00 13.00 H new ATOM 1436 N ALA A 90 -17.531 17.644 7.100 1.00 50.31 N ATOM 1437 CA ALA A 90 -16.723 16.597 6.489 1.00 62.53 C ATOM 1438 C ALA A 90 -16.960 16.528 4.984 1.00 60.41 C ATOM 1439 O ALA A 90 -16.037 16.716 4.192 1.00 30.12 O ATOM 1440 CB ALA A 90 -17.025 15.252 7.135 1.00 41.53 C ATOM 0 H ALA A 90 -18.080 17.338 7.903 1.00 50.31 H new ATOM 0 HA ALA A 90 -15.673 16.840 6.654 1.00 62.53 H new ATOM 0 HB1 ALA A 90 -16.414 14.479 6.669 1.00 41.53 H new ATOM 0 HB2 ALA A 90 -16.798 15.301 8.200 1.00 41.53 H new ATOM 0 HB3 ALA A 90 -18.080 15.012 7.000 1.00 41.53 H new ATOM 1446 N GLU A 91 -18.202 16.256 4.597 1.00 35.11 N ATOM 1447 CA GLU A 91 -18.559 16.161 3.186 1.00 30.24 C ATOM 1448 C GLU A 91 -18.245 17.464 2.457 1.00 75.11 C ATOM 1449 O GLU A 91 -18.081 17.481 1.237 1.00 62.12 O ATOM 1450 CB GLU A 91 -20.044 15.823 3.034 1.00 24.13 C ATOM 1451 CG GLU A 91 -20.431 14.491 3.654 1.00 33.11 C ATOM 1452 CD GLU A 91 -20.121 13.314 2.749 1.00 13.23 C ATOM 1453 OE1 GLU A 91 -19.227 13.449 1.887 1.00 34.35 O ATOM 1454 OE2 GLU A 91 -20.772 12.260 2.902 1.00 32.33 O ATOM 0 H GLU A 91 -18.978 16.098 5.240 1.00 35.11 H new ATOM 0 HA GLU A 91 -17.965 15.363 2.740 1.00 30.24 H new ATOM 0 HB2 GLU A 91 -20.637 16.614 3.493 1.00 24.13 H new ATOM 0 HB3 GLU A 91 -20.298 15.809 1.974 1.00 24.13 H new ATOM 0 HG2 GLU A 91 -19.902 14.367 4.599 1.00 33.11 H new ATOM 0 HG3 GLU A 91 -21.497 14.497 3.884 1.00 33.11 H new ATOM 1461 N TYR A 92 -18.165 18.553 3.213 1.00 50.33 N ATOM 1462 CA TYR A 92 -17.874 19.862 2.639 1.00 74.21 C ATOM 1463 C TYR A 92 -16.391 19.995 2.309 1.00 61.32 C ATOM 1464 O TYR A 92 -16.022 20.513 1.255 1.00 21.42 O ATOM 1465 CB TYR A 92 -18.295 20.970 3.605 1.00 5.54 C ATOM 1466 CG TYR A 92 -18.388 22.334 2.959 1.00 54.02 C ATOM 1467 CD1 TYR A 92 -17.260 23.129 2.800 1.00 31.05 C ATOM 1468 CD2 TYR A 92 -19.606 22.827 2.505 1.00 21.12 C ATOM 1469 CE1 TYR A 92 -17.342 24.376 2.211 1.00 24.40 C ATOM 1470 CE2 TYR A 92 -19.697 24.072 1.913 1.00 24.12 C ATOM 1471 CZ TYR A 92 -18.562 24.843 1.769 1.00 62.52 C ATOM 1472 OH TYR A 92 -18.647 26.083 1.180 1.00 41.32 O ATOM 0 H TYR A 92 -18.297 18.556 4.224 1.00 50.33 H new ATOM 0 HA TYR A 92 -18.443 19.960 1.714 1.00 74.21 H new ATOM 0 HB2 TYR A 92 -19.263 20.715 4.037 1.00 5.54 H new ATOM 0 HB3 TYR A 92 -17.581 21.015 4.427 1.00 5.54 H new ATOM 0 HD1 TYR A 92 -16.302 22.766 3.143 1.00 31.05 H new ATOM 0 HD2 TYR A 92 -20.497 22.226 2.617 1.00 21.12 H new ATOM 0 HE1 TYR A 92 -16.455 24.982 2.097 1.00 24.40 H new ATOM 0 HE2 TYR A 92 -20.651 24.440 1.565 1.00 24.12 H new ATOM 0 HH TYR A 92 -19.576 26.261 0.924 1.00 41.32 H new ATOM 1482 N ALA A 93 -15.545 19.522 3.218 1.00 45.10 N ATOM 1483 CA ALA A 93 -14.101 19.585 3.024 1.00 73.23 C ATOM 1484 C ALA A 93 -13.642 18.567 1.985 1.00 55.32 C ATOM 1485 O ALA A 93 -12.552 18.686 1.426 1.00 12.25 O ATOM 1486 CB ALA A 93 -13.381 19.356 4.344 1.00 24.50 C ATOM 0 H ALA A 93 -15.834 19.091 4.096 1.00 45.10 H new ATOM 0 HA ALA A 93 -13.852 20.580 2.655 1.00 73.23 H new ATOM 0 HB1 ALA A 93 -12.304 19.406 4.184 1.00 24.50 H new ATOM 0 HB2 ALA A 93 -13.678 20.124 5.058 1.00 24.50 H new ATOM 0 HB3 ALA A 93 -13.645 18.374 4.737 1.00 24.50 H new ATOM 1492 N GLN A 94 -14.481 17.568 1.731 1.00 31.25 N ATOM 1493 CA GLN A 94 -14.160 16.529 0.760 1.00 25.12 C ATOM 1494 C GLN A 94 -14.268 17.063 -0.664 1.00 42.12 C ATOM 1495 O GLN A 94 -13.580 16.590 -1.569 1.00 31.30 O ATOM 1496 CB GLN A 94 -15.090 15.328 0.939 1.00 0.13 C ATOM 1497 CG GLN A 94 -15.024 14.709 2.326 1.00 32.01 C ATOM 1498 CD GLN A 94 -14.745 13.219 2.288 1.00 52.43 C ATOM 1499 OE1 GLN A 94 -15.292 12.495 1.455 1.00 4.11 O ATOM 1500 NE2 GLN A 94 -13.891 12.753 3.191 1.00 44.31 N ATOM 0 H GLN A 94 -15.388 17.456 2.184 1.00 31.25 H new ATOM 0 HA GLN A 94 -13.132 16.211 0.933 1.00 25.12 H new ATOM 0 HB2 GLN A 94 -16.115 15.639 0.738 1.00 0.13 H new ATOM 0 HB3 GLN A 94 -14.836 14.569 0.199 1.00 0.13 H new ATOM 0 HG2 GLN A 94 -14.245 15.206 2.905 1.00 32.01 H new ATOM 0 HG3 GLN A 94 -15.967 14.885 2.843 1.00 32.01 H new ATOM 0 HE21 GLN A 94 -13.461 13.389 3.862 1.00 44.31 H new ATOM 0 HE22 GLN A 94 -13.665 11.759 3.213 1.00 44.31 H new ATOM 1509 N ARG A 95 -15.136 18.051 -0.856 1.00 2.10 N ATOM 1510 CA ARG A 95 -15.335 18.648 -2.171 1.00 12.41 C ATOM 1511 C ARG A 95 -14.095 19.420 -2.611 1.00 65.13 C ATOM 1512 O ARG A 95 -13.706 19.378 -3.779 1.00 25.33 O ATOM 1513 CB ARG A 95 -16.548 19.580 -2.153 1.00 14.13 C ATOM 1514 CG ARG A 95 -17.761 18.987 -1.454 1.00 52.14 C ATOM 1515 CD ARG A 95 -19.034 19.739 -1.813 1.00 64.44 C ATOM 1516 NE ARG A 95 -18.883 21.181 -1.644 1.00 15.43 N ATOM 1517 CZ ARG A 95 -19.746 22.071 -2.123 1.00 4.35 C ATOM 1518 NH1 ARG A 95 -20.814 21.668 -2.797 1.00 3.32 N ATOM 1519 NH2 ARG A 95 -19.540 23.368 -1.927 1.00 33.42 N ATOM 0 H ARG A 95 -15.712 18.455 -0.118 1.00 2.10 H new ATOM 0 HA ARG A 95 -15.513 17.843 -2.884 1.00 12.41 H new ATOM 0 HB2 ARG A 95 -16.273 20.511 -1.658 1.00 14.13 H new ATOM 0 HB3 ARG A 95 -16.817 19.832 -3.179 1.00 14.13 H new ATOM 0 HG2 ARG A 95 -17.866 17.938 -1.732 1.00 52.14 H new ATOM 0 HG3 ARG A 95 -17.611 19.017 -0.375 1.00 52.14 H new ATOM 0 HD2 ARG A 95 -19.305 19.521 -2.846 1.00 64.44 H new ATOM 0 HD3 ARG A 95 -19.853 19.384 -1.188 1.00 64.44 H new ATOM 0 HE ARG A 95 -18.071 21.524 -1.131 1.00 15.43 H new ATOM 0 HH11 ARG A 95 -20.975 20.672 -2.949 1.00 3.32 H new ATOM 0 HH12 ARG A 95 -21.474 22.354 -3.163 1.00 3.32 H new ATOM 0 HH21 ARG A 95 -18.719 23.681 -1.409 1.00 33.42 H new ATOM 0 HH22 ARG A 95 -20.202 24.051 -2.295 1.00 33.42 H new ATOM 1533 N LYS A 96 -13.477 20.125 -1.669 1.00 53.04 N ATOM 1534 CA LYS A 96 -12.280 20.906 -1.958 1.00 54.03 C ATOM 1535 C LYS A 96 -11.128 20.000 -2.381 1.00 34.13 C ATOM 1536 O LYS A 96 -10.602 20.123 -3.487 1.00 3.24 O ATOM 1537 CB LYS A 96 -11.874 21.727 -0.733 1.00 12.44 C ATOM 1538 CG LYS A 96 -12.899 22.776 -0.337 1.00 1.34 C ATOM 1539 CD LYS A 96 -12.675 24.083 -1.080 1.00 32.25 C ATOM 1540 CE LYS A 96 -11.419 24.791 -0.596 1.00 60.00 C ATOM 1541 NZ LYS A 96 -11.457 26.250 -0.889 1.00 53.52 N ATOM 0 H LYS A 96 -13.786 20.171 -0.698 1.00 53.04 H new ATOM 0 HA LYS A 96 -12.508 21.582 -2.782 1.00 54.03 H new ATOM 0 HB2 LYS A 96 -11.712 21.053 0.108 1.00 12.44 H new ATOM 0 HB3 LYS A 96 -10.922 22.219 -0.935 1.00 12.44 H new ATOM 0 HG2 LYS A 96 -13.902 22.404 -0.548 1.00 1.34 H new ATOM 0 HG3 LYS A 96 -12.844 22.953 0.737 1.00 1.34 H new ATOM 0 HD2 LYS A 96 -12.594 23.886 -2.149 1.00 32.25 H new ATOM 0 HD3 LYS A 96 -13.538 24.734 -0.941 1.00 32.25 H new ATOM 0 HE2 LYS A 96 -11.307 24.639 0.478 1.00 60.00 H new ATOM 0 HE3 LYS A 96 -10.545 24.347 -1.073 1.00 60.00 H new ATOM 0 HZ1 LYS A 96 -10.583 26.696 -0.544 1.00 53.52 H new ATOM 0 HZ2 LYS A 96 -11.538 26.396 -1.916 1.00 53.52 H new ATOM 0 HZ3 LYS A 96 -12.276 26.679 -0.413 1.00 53.52 H new ATOM 1555 N VAL A 97 -10.742 19.088 -1.494 1.00 13.45 N ATOM 1556 CA VAL A 97 -9.654 18.160 -1.776 1.00 34.43 C ATOM 1557 C VAL A 97 -9.985 17.273 -2.971 1.00 31.43 C ATOM 1558 O VAL A 97 -9.090 16.772 -3.651 1.00 73.45 O ATOM 1559 CB VAL A 97 -9.347 17.268 -0.558 1.00 15.02 C ATOM 1560 CG1 VAL A 97 -8.230 16.288 -0.881 1.00 43.41 C ATOM 1561 CG2 VAL A 97 -8.987 18.121 0.649 1.00 14.12 C ATOM 0 H VAL A 97 -11.167 18.972 -0.574 1.00 13.45 H new ATOM 0 HA VAL A 97 -8.775 18.763 -2.006 1.00 34.43 H new ATOM 0 HB VAL A 97 -10.241 16.694 -0.315 1.00 15.02 H new ATOM 0 HG11 VAL A 97 -8.027 15.667 -0.009 1.00 43.41 H new ATOM 0 HG12 VAL A 97 -8.532 15.655 -1.715 1.00 43.41 H new ATOM 0 HG13 VAL A 97 -7.329 16.839 -1.151 1.00 43.41 H new ATOM 0 HG21 VAL A 97 -8.773 17.475 1.500 1.00 14.12 H new ATOM 0 HG22 VAL A 97 -8.107 18.723 0.420 1.00 14.12 H new ATOM 0 HG23 VAL A 97 -9.822 18.778 0.893 1.00 14.12 H new