USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 839 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 11 SER OG : rot -59:sc= 0.822 USER MOD Set 1.2: A 35 LYS NZ :NH3+ -114:sc= 0.0438 (180deg=0) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.808 USER MOD Set 2.2: A 45 LYS NZ :NH3+ 150:sc= 1.74 (180deg=0.65) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 0.35 (180deg=0.143) USER MOD Single : A 10 SER OG : rot 174:sc= 0.792 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -130:sc= 0.152 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= 2.12 (180deg=0.0689) USER MOD Single : A 31 TYR OH : rot 30:sc= -0.0147 USER MOD Single : A 37 LYS NZ :NH3+ -99:sc= 0.477 (180deg=0.0406) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0.304 (180deg=0.286) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 72:sc= 0.443 USER MOD Single : A 52 GLN :FLIP amide:sc= -2.33 F(o=-3!,f=-2.3) USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= 0.692 (180deg=0.348) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -161:sc= -1.05 (180deg=-2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.096) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00904 USER MOD Single : A 89 GLN : amide:sc= 0.101 K(o=0.1,f=-4.1!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.0097) USER MOD Single : A 98 LYS NZ :NH3+ 179:sc= 0.386 (180deg=0.344) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 0.497 9.386 -9.414 1.00 51.13 N ATOM 39 CA LYS A 4 1.428 9.057 -8.344 1.00 73.51 C ATOM 40 C LYS A 4 0.836 7.855 -7.609 1.00 40.34 C ATOM 41 O LYS A 4 -0.390 7.662 -7.635 1.00 1.31 O ATOM 42 CB LYS A 4 1.623 10.254 -7.378 1.00 24.25 C ATOM 43 CG LYS A 4 2.470 9.915 -6.139 1.00 61.43 C ATOM 44 CD LYS A 4 2.783 11.132 -5.246 1.00 41.43 C ATOM 45 CE LYS A 4 3.435 10.701 -3.930 1.00 23.32 C ATOM 46 NZ LYS A 4 3.986 11.858 -3.175 1.00 52.42 N ATOM 0 HA LYS A 4 2.414 8.826 -8.748 1.00 73.51 H new ATOM 0 HB2 LYS A 4 2.097 11.073 -7.919 1.00 24.25 H new ATOM 0 HB3 LYS A 4 0.646 10.611 -7.053 1.00 24.25 H new ATOM 0 HG2 LYS A 4 1.945 9.166 -5.546 1.00 61.43 H new ATOM 0 HG3 LYS A 4 3.408 9.464 -6.464 1.00 61.43 H new ATOM 0 HD2 LYS A 4 3.446 11.815 -5.777 1.00 41.43 H new ATOM 0 HD3 LYS A 4 1.864 11.679 -5.037 1.00 41.43 H new ATOM 0 HE2 LYS A 4 2.700 10.183 -3.314 1.00 23.32 H new ATOM 0 HE3 LYS A 4 4.235 9.990 -4.138 1.00 23.32 H new ATOM 0 HZ1 LYS A 4 4.074 11.606 -2.170 1.00 52.42 H new ATOM 0 HZ2 LYS A 4 4.923 12.105 -3.554 1.00 52.42 H new ATOM 0 HZ3 LYS A 4 3.347 12.673 -3.273 1.00 52.42 H new ATOM 60 N ILE A 5 1.681 7.022 -6.990 1.00 64.13 N ATOM 61 CA ILE A 5 1.201 5.900 -6.178 1.00 12.22 C ATOM 62 C ILE A 5 1.854 5.881 -4.800 1.00 55.22 C ATOM 63 O ILE A 5 3.006 6.300 -4.613 1.00 73.31 O ATOM 64 CB ILE A 5 1.401 4.506 -6.877 1.00 21.15 C ATOM 65 CG1 ILE A 5 2.910 4.191 -7.105 1.00 35.12 C ATOM 66 CG2 ILE A 5 0.602 4.448 -8.199 1.00 12.10 C ATOM 67 CD1 ILE A 5 3.189 2.788 -7.611 1.00 2.14 C ATOM 0 H ILE A 5 2.697 7.104 -7.036 1.00 64.13 H new ATOM 0 HA ILE A 5 0.129 6.062 -6.063 1.00 12.22 H new ATOM 0 HB ILE A 5 1.014 3.734 -6.212 1.00 21.15 H new ATOM 0 HG12 ILE A 5 3.314 4.909 -7.819 1.00 35.12 H new ATOM 0 HG13 ILE A 5 3.445 4.339 -6.167 1.00 35.12 H new ATOM 0 HG21 ILE A 5 0.750 3.477 -8.671 1.00 12.10 H new ATOM 0 HG22 ILE A 5 -0.458 4.592 -7.990 1.00 12.10 H new ATOM 0 HG23 ILE A 5 0.950 5.234 -8.869 1.00 12.10 H new ATOM 0 HD11 ILE A 5 4.263 2.655 -7.742 1.00 2.14 H new ATOM 0 HD12 ILE A 5 2.819 2.060 -6.889 1.00 2.14 H new ATOM 0 HD13 ILE A 5 2.686 2.639 -8.566 1.00 2.14 H new ATOM 79 N ILE A 6 1.065 5.419 -3.836 1.00 24.53 N ATOM 80 CA ILE A 6 1.525 5.069 -2.505 1.00 30.31 C ATOM 81 C ILE A 6 1.339 3.558 -2.344 1.00 3.52 C ATOM 82 O ILE A 6 0.229 3.046 -2.502 1.00 1.13 O ATOM 83 CB ILE A 6 0.734 5.841 -1.392 1.00 75.30 C ATOM 84 CG1 ILE A 6 0.940 7.390 -1.516 1.00 24.21 C ATOM 85 CG2 ILE A 6 1.120 5.332 0.010 1.00 50.55 C ATOM 86 CD1 ILE A 6 2.375 7.879 -1.399 1.00 62.13 C ATOM 0 H ILE A 6 0.064 5.275 -3.966 1.00 24.53 H new ATOM 0 HA ILE A 6 2.572 5.351 -2.391 1.00 30.31 H new ATOM 0 HB ILE A 6 -0.328 5.643 -1.537 1.00 75.30 H new ATOM 0 HG12 ILE A 6 0.543 7.714 -2.478 1.00 24.21 H new ATOM 0 HG13 ILE A 6 0.345 7.879 -0.745 1.00 24.21 H new ATOM 0 HG21 ILE A 6 0.558 5.883 0.764 1.00 50.55 H new ATOM 0 HG22 ILE A 6 0.888 4.270 0.088 1.00 50.55 H new ATOM 0 HG23 ILE A 6 2.188 5.483 0.171 1.00 50.55 H new ATOM 0 HD11 ILE A 6 2.399 8.964 -1.500 1.00 62.13 H new ATOM 0 HD12 ILE A 6 2.778 7.596 -0.427 1.00 62.13 H new ATOM 0 HD13 ILE A 6 2.978 7.428 -2.187 1.00 62.13 H new ATOM 98 N VAL A 7 2.431 2.862 -2.040 1.00 73.23 N ATOM 99 CA VAL A 7 2.445 1.407 -1.886 1.00 13.23 C ATOM 100 C VAL A 7 2.632 1.085 -0.398 1.00 51.11 C ATOM 101 O VAL A 7 3.685 1.358 0.181 1.00 25.31 O ATOM 102 CB VAL A 7 3.578 0.738 -2.746 1.00 75.40 C ATOM 103 CG1 VAL A 7 3.581 -0.788 -2.550 1.00 31.22 C ATOM 104 CG2 VAL A 7 3.438 1.108 -4.243 1.00 32.01 C ATOM 0 H VAL A 7 3.342 3.296 -1.892 1.00 73.23 H new ATOM 0 HA VAL A 7 1.500 1.000 -2.246 1.00 13.23 H new ATOM 0 HB VAL A 7 4.536 1.126 -2.400 1.00 75.40 H new ATOM 0 HG11 VAL A 7 4.373 -1.231 -3.154 1.00 31.22 H new ATOM 0 HG12 VAL A 7 3.754 -1.020 -1.499 1.00 31.22 H new ATOM 0 HG13 VAL A 7 2.618 -1.196 -2.858 1.00 31.22 H new ATOM 0 HG21 VAL A 7 4.236 0.630 -4.812 1.00 32.01 H new ATOM 0 HG22 VAL A 7 2.472 0.765 -4.614 1.00 32.01 H new ATOM 0 HG23 VAL A 7 3.507 2.190 -4.358 1.00 32.01 H new ATOM 114 N ILE A 8 1.588 0.524 0.209 1.00 22.53 N ATOM 115 CA ILE A 8 1.526 0.280 1.648 1.00 10.35 C ATOM 116 C ILE A 8 1.691 -1.218 1.930 1.00 32.24 C ATOM 117 O ILE A 8 0.898 -2.036 1.469 1.00 62.33 O ATOM 118 CB ILE A 8 0.175 0.822 2.248 1.00 51.34 C ATOM 119 CG1 ILE A 8 0.122 2.381 2.108 1.00 12.53 C ATOM 120 CG2 ILE A 8 -0.022 0.363 3.708 1.00 23.51 C ATOM 121 CD1 ILE A 8 -1.064 3.066 2.755 1.00 24.03 C ATOM 0 H ILE A 8 0.752 0.223 -0.291 1.00 22.53 H new ATOM 0 HA ILE A 8 2.342 0.817 2.132 1.00 10.35 H new ATOM 0 HB ILE A 8 -0.655 0.400 1.681 1.00 51.34 H new ATOM 0 HG12 ILE A 8 1.034 2.796 2.537 1.00 12.53 H new ATOM 0 HG13 ILE A 8 0.126 2.631 1.047 1.00 12.53 H new ATOM 0 HG21 ILE A 8 -0.965 0.756 4.089 1.00 23.51 H new ATOM 0 HG22 ILE A 8 -0.040 -0.726 3.748 1.00 23.51 H new ATOM 0 HG23 ILE A 8 0.800 0.734 4.320 1.00 23.51 H new ATOM 0 HD11 ILE A 8 -0.995 4.142 2.594 1.00 24.03 H new ATOM 0 HD12 ILE A 8 -1.987 2.691 2.312 1.00 24.03 H new ATOM 0 HD13 ILE A 8 -1.065 2.858 3.825 1.00 24.03 H new ATOM 133 N ILE A 9 2.707 -1.541 2.728 1.00 0.41 N ATOM 134 CA ILE A 9 3.020 -2.908 3.125 1.00 14.42 C ATOM 135 C ILE A 9 2.214 -3.169 4.403 1.00 23.32 C ATOM 136 O ILE A 9 2.575 -2.677 5.477 1.00 5.20 O ATOM 137 CB ILE A 9 4.568 -3.130 3.390 1.00 22.55 C ATOM 138 CG1 ILE A 9 5.435 -2.829 2.114 1.00 65.52 C ATOM 139 CG2 ILE A 9 4.835 -4.573 3.907 1.00 64.11 C ATOM 140 CD1 ILE A 9 5.587 -1.362 1.712 1.00 53.44 C ATOM 0 H ILE A 9 3.344 -0.848 3.122 1.00 0.41 H new ATOM 0 HA ILE A 9 2.761 -3.599 2.323 1.00 14.42 H new ATOM 0 HB ILE A 9 4.869 -2.420 4.160 1.00 22.55 H new ATOM 0 HG12 ILE A 9 6.431 -3.242 2.275 1.00 65.52 H new ATOM 0 HG13 ILE A 9 4.999 -3.368 1.273 1.00 65.52 H new ATOM 0 HG21 ILE A 9 5.903 -4.705 4.083 1.00 64.11 H new ATOM 0 HG22 ILE A 9 4.292 -4.732 4.838 1.00 64.11 H new ATOM 0 HG23 ILE A 9 4.498 -5.294 3.163 1.00 64.11 H new ATOM 0 HD11 ILE A 9 6.207 -1.292 0.818 1.00 53.44 H new ATOM 0 HD12 ILE A 9 4.604 -0.937 1.506 1.00 53.44 H new ATOM 0 HD13 ILE A 9 6.058 -0.809 2.525 1.00 53.44 H new ATOM 152 N SER A 10 1.071 -3.848 4.260 1.00 4.23 N ATOM 153 CA SER A 10 0.182 -4.135 5.383 1.00 61.21 C ATOM 154 C SER A 10 0.552 -5.481 6.024 1.00 11.23 C ATOM 155 O SER A 10 0.418 -6.544 5.403 1.00 23.32 O ATOM 156 CB SER A 10 -1.288 -4.142 4.933 1.00 60.43 C ATOM 157 OG SER A 10 -2.146 -4.394 6.036 1.00 53.51 O ATOM 0 H SER A 10 0.740 -4.211 3.366 1.00 4.23 H new ATOM 0 HA SER A 10 0.305 -3.346 6.125 1.00 61.21 H new ATOM 0 HB2 SER A 10 -1.540 -3.183 4.481 1.00 60.43 H new ATOM 0 HB3 SER A 10 -1.436 -4.904 4.168 1.00 60.43 H new ATOM 0 HG SER A 10 -3.079 -4.304 5.752 1.00 53.51 H new ATOM 163 N SER A 11 1.081 -5.400 7.249 1.00 42.14 N ATOM 164 CA SER A 11 1.300 -6.545 8.130 1.00 2.20 C ATOM 165 C SER A 11 0.552 -6.270 9.450 1.00 45.05 C ATOM 166 O SER A 11 0.895 -5.319 10.167 1.00 4.31 O ATOM 167 CB SER A 11 2.816 -6.737 8.381 1.00 20.21 C ATOM 168 OG SER A 11 3.540 -6.740 7.160 1.00 71.51 O ATOM 0 H SER A 11 1.375 -4.515 7.662 1.00 42.14 H new ATOM 0 HA SER A 11 0.924 -7.462 7.676 1.00 2.20 H new ATOM 0 HB2 SER A 11 3.185 -5.938 9.024 1.00 20.21 H new ATOM 0 HB3 SER A 11 2.984 -7.675 8.909 1.00 20.21 H new ATOM 0 HG SER A 11 3.214 -7.466 6.588 1.00 71.51 H new ATOM 174 N ASP A 12 -0.495 -7.073 9.722 1.00 64.01 N ATOM 175 CA ASP A 12 -1.342 -6.990 10.940 1.00 0.54 C ATOM 176 C ASP A 12 -2.281 -5.751 10.920 1.00 43.14 C ATOM 177 O ASP A 12 -3.469 -5.879 10.597 1.00 43.25 O ATOM 178 CB ASP A 12 -0.511 -7.024 12.265 1.00 5.22 C ATOM 179 CG ASP A 12 0.303 -8.317 12.478 1.00 65.33 C ATOM 180 OD1 ASP A 12 1.455 -8.397 11.995 1.00 44.43 O ATOM 181 OD2 ASP A 12 -0.185 -9.236 13.164 1.00 33.11 O ATOM 0 H ASP A 12 -0.787 -7.817 9.089 1.00 64.01 H new ATOM 0 HA ASP A 12 -1.962 -7.886 10.922 1.00 0.54 H new ATOM 0 HB2 ASP A 12 0.172 -6.175 12.272 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -1.190 -6.894 13.108 1.00 5.22 H new ATOM 186 N ASP A 13 -1.723 -4.558 11.231 1.00 13.52 N ATOM 187 CA ASP A 13 -2.508 -3.340 11.560 1.00 21.02 C ATOM 188 C ASP A 13 -3.275 -2.771 10.342 1.00 61.54 C ATOM 189 O ASP A 13 -2.718 -2.619 9.250 1.00 61.41 O ATOM 190 CB ASP A 13 -1.583 -2.255 12.176 1.00 50.42 C ATOM 191 CG ASP A 13 -2.342 -0.998 12.642 1.00 53.43 C ATOM 192 OD1 ASP A 13 -3.053 -1.065 13.663 1.00 11.44 O ATOM 193 OD2 ASP A 13 -2.244 0.058 11.990 1.00 33.11 O ATOM 0 H ASP A 13 -0.714 -4.410 11.262 1.00 13.52 H new ATOM 0 HA ASP A 13 -3.260 -3.635 12.292 1.00 21.02 H new ATOM 0 HB2 ASP A 13 -1.048 -2.683 13.024 1.00 50.42 H new ATOM 0 HB3 ASP A 13 -0.834 -1.966 11.439 1.00 50.42 H new ATOM 198 N THR A 14 -4.554 -2.433 10.588 1.00 53.45 N ATOM 199 CA THR A 14 -5.508 -1.961 9.573 1.00 12.52 C ATOM 200 C THR A 14 -5.409 -0.434 9.321 1.00 60.22 C ATOM 201 O THR A 14 -5.786 0.046 8.245 1.00 55.51 O ATOM 202 CB THR A 14 -6.957 -2.348 10.028 1.00 43.51 C ATOM 203 OG1 THR A 14 -7.042 -3.773 10.183 1.00 40.02 O ATOM 204 CG2 THR A 14 -8.053 -1.889 9.055 1.00 40.24 C ATOM 0 H THR A 14 -4.961 -2.483 11.522 1.00 53.45 H new ATOM 0 HA THR A 14 -5.263 -2.443 8.627 1.00 12.52 H new ATOM 0 HB THR A 14 -7.132 -1.831 10.972 1.00 43.51 H new ATOM 0 HG1 THR A 14 -7.947 -4.018 10.469 1.00 40.02 H new ATOM 0 HG21 THR A 14 -9.028 -2.192 9.436 1.00 40.24 H new ATOM 0 HG22 THR A 14 -8.023 -0.804 8.958 1.00 40.24 H new ATOM 0 HG23 THR A 14 -7.887 -2.345 8.079 1.00 40.24 H new ATOM 212 N THR A 15 -4.882 0.326 10.302 1.00 1.24 N ATOM 213 CA THR A 15 -4.925 1.806 10.269 1.00 2.23 C ATOM 214 C THR A 15 -4.122 2.401 9.082 1.00 71.12 C ATOM 215 O THR A 15 -4.436 3.496 8.621 1.00 54.24 O ATOM 216 CB THR A 15 -4.438 2.432 11.615 1.00 11.41 C ATOM 217 OG1 THR A 15 -4.952 1.660 12.723 1.00 54.22 O ATOM 218 CG2 THR A 15 -4.903 3.899 11.762 1.00 34.14 C ATOM 0 H THR A 15 -4.422 -0.058 11.127 1.00 1.24 H new ATOM 0 HA THR A 15 -5.973 2.069 10.124 1.00 2.23 H new ATOM 0 HB THR A 15 -3.348 2.416 11.615 1.00 11.41 H new ATOM 0 HG1 THR A 15 -4.644 2.053 13.566 1.00 54.22 H new ATOM 0 HG21 THR A 15 -4.545 4.301 12.710 1.00 34.14 H new ATOM 0 HG22 THR A 15 -4.500 4.492 10.941 1.00 34.14 H new ATOM 0 HG23 THR A 15 -5.992 3.940 11.738 1.00 34.14 H new ATOM 226 N LEU A 16 -3.107 1.661 8.583 1.00 33.12 N ATOM 227 CA LEU A 16 -2.355 2.051 7.358 1.00 13.01 C ATOM 228 C LEU A 16 -3.318 2.137 6.150 1.00 75.44 C ATOM 229 O LEU A 16 -3.261 3.077 5.351 1.00 42.41 O ATOM 230 CB LEU A 16 -1.200 1.050 7.023 1.00 54.01 C ATOM 231 CG LEU A 16 0.026 0.993 7.998 1.00 44.10 C ATOM 232 CD1 LEU A 16 -0.352 0.385 9.352 1.00 52.01 C ATOM 233 CD2 LEU A 16 1.225 0.241 7.361 1.00 15.51 C ATOM 0 H LEU A 16 -2.786 0.790 9.006 1.00 33.12 H new ATOM 0 HA LEU A 16 -1.907 3.025 7.556 1.00 13.01 H new ATOM 0 HB2 LEU A 16 -1.630 0.050 6.967 1.00 54.01 H new ATOM 0 HB3 LEU A 16 -0.825 1.292 6.028 1.00 54.01 H new ATOM 0 HG LEU A 16 0.338 2.022 8.179 1.00 44.10 H new ATOM 0 HD11 LEU A 16 0.525 0.363 9.999 1.00 52.01 H new ATOM 0 HD12 LEU A 16 -1.131 0.989 9.817 1.00 52.01 H new ATOM 0 HD13 LEU A 16 -0.719 -0.631 9.205 1.00 52.01 H new ATOM 0 HD21 LEU A 16 2.057 0.221 8.065 1.00 15.51 H new ATOM 0 HD22 LEU A 16 0.928 -0.780 7.121 1.00 15.51 H new ATOM 0 HD23 LEU A 16 1.533 0.753 6.450 1.00 15.51 H new ATOM 245 N GLU A 17 -4.219 1.148 6.073 1.00 71.15 N ATOM 246 CA GLU A 17 -5.210 0.998 4.989 1.00 11.10 C ATOM 247 C GLU A 17 -6.364 2.006 5.162 1.00 12.03 C ATOM 248 O GLU A 17 -6.986 2.434 4.178 1.00 14.51 O ATOM 249 CB GLU A 17 -5.765 -0.436 5.025 1.00 52.12 C ATOM 250 CG GLU A 17 -4.689 -1.544 5.142 1.00 44.21 C ATOM 251 CD GLU A 17 -5.274 -2.907 5.546 1.00 0.10 C ATOM 252 OE1 GLU A 17 -6.185 -2.934 6.403 1.00 61.31 O ATOM 253 OE2 GLU A 17 -4.817 -3.948 5.041 1.00 52.30 O ATOM 0 H GLU A 17 -4.284 0.412 6.776 1.00 71.15 H new ATOM 0 HA GLU A 17 -4.728 1.193 4.031 1.00 11.10 H new ATOM 0 HB2 GLU A 17 -6.451 -0.524 5.867 1.00 52.12 H new ATOM 0 HB3 GLU A 17 -6.348 -0.608 4.120 1.00 52.12 H new ATOM 0 HG2 GLU A 17 -4.173 -1.645 4.187 1.00 44.21 H new ATOM 0 HG3 GLU A 17 -3.943 -1.242 5.877 1.00 44.21 H new ATOM 260 N GLU A 18 -6.644 2.369 6.432 1.00 41.11 N ATOM 261 CA GLU A 18 -7.639 3.401 6.763 1.00 53.11 C ATOM 262 C GLU A 18 -7.147 4.767 6.263 1.00 62.41 C ATOM 263 O GLU A 18 -7.893 5.513 5.624 1.00 21.32 O ATOM 264 CB GLU A 18 -7.904 3.457 8.290 1.00 41.24 C ATOM 265 CG GLU A 18 -8.521 2.176 8.884 1.00 42.31 C ATOM 266 CD GLU A 18 -9.875 1.806 8.248 1.00 52.23 C ATOM 267 OE1 GLU A 18 -10.885 2.494 8.545 1.00 2.21 O ATOM 268 OE2 GLU A 18 -9.934 0.841 7.454 1.00 44.35 O ATOM 0 H GLU A 18 -6.189 1.957 7.247 1.00 41.11 H new ATOM 0 HA GLU A 18 -8.577 3.146 6.270 1.00 53.11 H new ATOM 0 HB2 GLU A 18 -6.963 3.661 8.801 1.00 41.24 H new ATOM 0 HB3 GLU A 18 -8.569 4.295 8.499 1.00 41.24 H new ATOM 0 HG2 GLU A 18 -7.825 1.348 8.749 1.00 42.31 H new ATOM 0 HG3 GLU A 18 -8.655 2.308 9.958 1.00 42.31 H new ATOM 275 N LEU A 19 -5.860 5.055 6.557 1.00 73.12 N ATOM 276 CA LEU A 19 -5.158 6.271 6.103 1.00 12.13 C ATOM 277 C LEU A 19 -5.024 6.281 4.569 1.00 10.43 C ATOM 278 O LEU A 19 -5.085 7.341 3.953 1.00 63.35 O ATOM 279 CB LEU A 19 -3.751 6.366 6.773 1.00 15.42 C ATOM 280 CG LEU A 19 -3.742 6.577 8.323 1.00 63.40 C ATOM 281 CD1 LEU A 19 -2.317 6.455 8.903 1.00 73.01 C ATOM 282 CD2 LEU A 19 -4.380 7.926 8.697 1.00 31.32 C ATOM 0 H LEU A 19 -5.274 4.441 7.123 1.00 73.12 H new ATOM 0 HA LEU A 19 -5.746 7.139 6.401 1.00 12.13 H new ATOM 0 HB2 LEU A 19 -3.201 5.452 6.548 1.00 15.42 H new ATOM 0 HB3 LEU A 19 -3.205 7.189 6.311 1.00 15.42 H new ATOM 0 HG LEU A 19 -4.343 5.784 8.768 1.00 63.40 H new ATOM 0 HD11 LEU A 19 -2.349 6.607 9.982 1.00 73.01 H new ATOM 0 HD12 LEU A 19 -1.920 5.463 8.688 1.00 73.01 H new ATOM 0 HD13 LEU A 19 -1.674 7.209 8.449 1.00 73.01 H new ATOM 0 HD21 LEU A 19 -4.362 8.049 9.780 1.00 31.32 H new ATOM 0 HD22 LEU A 19 -3.819 8.736 8.230 1.00 31.32 H new ATOM 0 HD23 LEU A 19 -5.412 7.950 8.346 1.00 31.32 H new ATOM 294 N ALA A 20 -4.880 5.077 3.977 1.00 52.23 N ATOM 295 CA ALA A 20 -4.802 4.874 2.512 1.00 72.35 C ATOM 296 C ALA A 20 -6.068 5.378 1.799 1.00 23.25 C ATOM 297 O ALA A 20 -6.010 5.858 0.660 1.00 1.30 O ATOM 298 CB ALA A 20 -4.582 3.389 2.205 1.00 30.54 C ATOM 0 H ALA A 20 -4.814 4.208 4.507 1.00 52.23 H new ATOM 0 HA ALA A 20 -3.959 5.455 2.138 1.00 72.35 H new ATOM 0 HB1 ALA A 20 -4.525 3.245 1.126 1.00 30.54 H new ATOM 0 HB2 ALA A 20 -3.651 3.056 2.665 1.00 30.54 H new ATOM 0 HB3 ALA A 20 -5.413 2.808 2.605 1.00 30.54 H new ATOM 304 N ARG A 21 -7.210 5.247 2.497 1.00 71.44 N ATOM 305 CA ARG A 21 -8.518 5.714 2.018 1.00 14.42 C ATOM 306 C ARG A 21 -8.602 7.265 2.055 1.00 74.31 C ATOM 307 O ARG A 21 -9.354 7.867 1.284 1.00 52.22 O ATOM 308 CB ARG A 21 -9.644 5.016 2.836 1.00 65.53 C ATOM 309 CG ARG A 21 -11.093 5.342 2.398 1.00 53.42 C ATOM 310 CD ARG A 21 -12.127 4.306 2.889 1.00 33.32 C ATOM 311 NE ARG A 21 -12.061 4.050 4.339 1.00 75.34 N ATOM 312 CZ ARG A 21 -12.901 3.242 5.015 1.00 62.51 C ATOM 313 NH1 ARG A 21 -13.900 2.602 4.392 1.00 22.52 N ATOM 314 NH2 ARG A 21 -12.722 3.056 6.319 1.00 61.43 N ATOM 0 H ARG A 21 -7.249 4.810 3.418 1.00 71.44 H new ATOM 0 HA ARG A 21 -8.653 5.437 0.973 1.00 14.42 H new ATOM 0 HB2 ARG A 21 -9.499 3.938 2.772 1.00 65.53 H new ATOM 0 HB3 ARG A 21 -9.530 5.292 3.884 1.00 65.53 H new ATOM 0 HG2 ARG A 21 -11.367 6.326 2.777 1.00 53.42 H new ATOM 0 HG3 ARG A 21 -11.133 5.397 1.310 1.00 53.42 H new ATOM 0 HD2 ARG A 21 -13.128 4.655 2.635 1.00 33.32 H new ATOM 0 HD3 ARG A 21 -11.972 3.368 2.355 1.00 33.32 H new ATOM 0 HE ARG A 21 -11.326 4.518 4.869 1.00 75.34 H new ATOM 0 HH11 ARG A 21 -14.035 2.722 3.388 1.00 22.52 H new ATOM 0 HH12 ARG A 21 -14.525 1.995 4.922 1.00 22.52 H new ATOM 0 HH21 ARG A 21 -11.953 3.523 6.800 1.00 61.43 H new ATOM 0 HH22 ARG A 21 -13.353 2.446 6.839 1.00 61.43 H new ATOM 328 N LYS A 22 -7.802 7.910 2.939 1.00 52.35 N ATOM 329 CA LYS A 22 -7.635 9.391 2.934 1.00 0.11 C ATOM 330 C LYS A 22 -6.639 9.819 1.826 1.00 53.32 C ATOM 331 O LYS A 22 -6.840 10.849 1.174 1.00 21.32 O ATOM 332 CB LYS A 22 -7.138 9.945 4.306 1.00 35.51 C ATOM 333 CG LYS A 22 -8.165 9.916 5.465 1.00 33.00 C ATOM 334 CD LYS A 22 -8.376 8.516 6.062 1.00 5.45 C ATOM 335 CE LYS A 22 -9.319 8.515 7.277 1.00 3.22 C ATOM 336 NZ LYS A 22 -9.435 7.161 7.880 1.00 61.34 N ATOM 0 H LYS A 22 -7.263 7.434 3.663 1.00 52.35 H new ATOM 0 HA LYS A 22 -8.621 9.812 2.739 1.00 0.11 H new ATOM 0 HB2 LYS A 22 -6.262 9.373 4.610 1.00 35.51 H new ATOM 0 HB3 LYS A 22 -6.812 10.975 4.162 1.00 35.51 H new ATOM 0 HG2 LYS A 22 -7.831 10.592 6.253 1.00 33.00 H new ATOM 0 HG3 LYS A 22 -9.120 10.296 5.103 1.00 33.00 H new ATOM 0 HD2 LYS A 22 -8.782 7.857 5.294 1.00 5.45 H new ATOM 0 HD3 LYS A 22 -7.411 8.104 6.358 1.00 5.45 H new ATOM 0 HE2 LYS A 22 -8.950 9.216 8.025 1.00 3.22 H new ATOM 0 HE3 LYS A 22 -10.306 8.864 6.972 1.00 3.22 H new ATOM 0 HZ1 LYS A 22 -10.439 6.921 8.004 1.00 61.34 H new ATOM 0 HZ2 LYS A 22 -8.987 6.462 7.253 1.00 61.34 H new ATOM 0 HZ3 LYS A 22 -8.960 7.151 8.805 1.00 61.34 H new ATOM 350 N ILE A 23 -5.573 9.009 1.633 1.00 41.15 N ATOM 351 CA ILE A 23 -4.505 9.268 0.640 1.00 63.24 C ATOM 352 C ILE A 23 -5.097 9.362 -0.780 1.00 64.33 C ATOM 353 O ILE A 23 -4.942 10.387 -1.442 1.00 53.43 O ATOM 354 CB ILE A 23 -3.384 8.148 0.712 1.00 61.10 C ATOM 355 CG1 ILE A 23 -2.653 8.175 2.100 1.00 74.33 C ATOM 356 CG2 ILE A 23 -2.362 8.274 -0.441 1.00 33.41 C ATOM 357 CD1 ILE A 23 -1.701 7.012 2.361 1.00 13.05 C ATOM 0 H ILE A 23 -5.429 8.151 2.166 1.00 41.15 H new ATOM 0 HA ILE A 23 -4.040 10.224 0.880 1.00 63.24 H new ATOM 0 HB ILE A 23 -3.886 7.187 0.600 1.00 61.10 H new ATOM 0 HG12 ILE A 23 -2.092 9.106 2.178 1.00 74.33 H new ATOM 0 HG13 ILE A 23 -3.406 8.190 2.888 1.00 74.33 H new ATOM 0 HG21 ILE A 23 -1.613 7.487 -0.351 1.00 33.41 H new ATOM 0 HG22 ILE A 23 -2.878 8.177 -1.396 1.00 33.41 H new ATOM 0 HG23 ILE A 23 -1.873 9.247 -0.389 1.00 33.41 H new ATOM 0 HD11 ILE A 23 -1.248 7.126 3.346 1.00 13.05 H new ATOM 0 HD12 ILE A 23 -2.254 6.073 2.322 1.00 13.05 H new ATOM 0 HD13 ILE A 23 -0.919 7.004 1.601 1.00 13.05 H new ATOM 369 N LYS A 24 -5.858 8.319 -1.184 1.00 14.23 N ATOM 370 CA LYS A 24 -6.428 8.199 -2.552 1.00 32.11 C ATOM 371 C LYS A 24 -7.318 9.407 -2.948 1.00 73.53 C ATOM 372 O LYS A 24 -7.475 9.699 -4.140 1.00 42.02 O ATOM 373 CB LYS A 24 -7.255 6.896 -2.685 1.00 20.43 C ATOM 374 CG LYS A 24 -8.480 6.818 -1.741 1.00 35.34 C ATOM 375 CD LYS A 24 -9.540 5.802 -2.210 1.00 12.51 C ATOM 376 CE LYS A 24 -9.001 4.374 -2.352 1.00 13.04 C ATOM 377 NZ LYS A 24 -10.039 3.456 -2.885 1.00 10.51 N ATOM 0 H LYS A 24 -6.096 7.537 -0.574 1.00 14.23 H new ATOM 0 HA LYS A 24 -5.577 8.178 -3.233 1.00 32.11 H new ATOM 0 HB2 LYS A 24 -7.599 6.801 -3.715 1.00 20.43 H new ATOM 0 HB3 LYS A 24 -6.604 6.045 -2.487 1.00 20.43 H new ATOM 0 HG2 LYS A 24 -8.143 6.547 -0.740 1.00 35.34 H new ATOM 0 HG3 LYS A 24 -8.938 7.804 -1.667 1.00 35.34 H new ATOM 0 HD2 LYS A 24 -10.368 5.800 -1.501 1.00 12.51 H new ATOM 0 HD3 LYS A 24 -9.943 6.126 -3.170 1.00 12.51 H new ATOM 0 HE2 LYS A 24 -8.137 4.374 -3.016 1.00 13.04 H new ATOM 0 HE3 LYS A 24 -8.658 4.014 -1.382 1.00 13.04 H new ATOM 0 HZ1 LYS A 24 -9.597 2.768 -3.528 1.00 10.51 H new ATOM 0 HZ2 LYS A 24 -10.494 2.951 -2.097 1.00 10.51 H new ATOM 0 HZ3 LYS A 24 -10.754 4.005 -3.403 1.00 10.51 H new ATOM 391 N ASP A 25 -7.870 10.102 -1.930 1.00 22.04 N ATOM 392 CA ASP A 25 -8.787 11.255 -2.110 1.00 1.33 C ATOM 393 C ASP A 25 -8.084 12.453 -2.790 1.00 22.41 C ATOM 394 O ASP A 25 -8.744 13.334 -3.360 1.00 65.12 O ATOM 395 CB ASP A 25 -9.376 11.673 -0.736 1.00 45.52 C ATOM 396 CG ASP A 25 -10.438 12.786 -0.838 1.00 43.41 C ATOM 397 OD1 ASP A 25 -11.576 12.488 -1.268 1.00 71.45 O ATOM 398 OD2 ASP A 25 -10.146 13.957 -0.493 1.00 45.22 O ATOM 0 H ASP A 25 -7.692 9.879 -0.951 1.00 22.04 H new ATOM 0 HA ASP A 25 -9.596 10.943 -2.771 1.00 1.33 H new ATOM 0 HB2 ASP A 25 -9.820 10.800 -0.259 1.00 45.52 H new ATOM 0 HB3 ASP A 25 -8.566 12.012 -0.090 1.00 45.52 H new ATOM 403 N GLU A 26 -6.741 12.461 -2.743 1.00 33.33 N ATOM 404 CA GLU A 26 -5.909 13.498 -3.386 1.00 14.50 C ATOM 405 C GLU A 26 -5.787 13.280 -4.913 1.00 33.55 C ATOM 406 O GLU A 26 -5.183 14.106 -5.614 1.00 41.20 O ATOM 407 CB GLU A 26 -4.512 13.519 -2.718 1.00 32.11 C ATOM 408 CG GLU A 26 -4.546 13.740 -1.189 1.00 4.14 C ATOM 409 CD GLU A 26 -5.186 15.074 -0.785 1.00 42.02 C ATOM 410 OE1 GLU A 26 -4.520 16.116 -0.916 1.00 14.20 O ATOM 411 OE2 GLU A 26 -6.354 15.097 -0.353 1.00 2.04 O ATOM 0 H GLU A 26 -6.198 11.747 -2.257 1.00 33.33 H new ATOM 0 HA GLU A 26 -6.395 14.464 -3.246 1.00 14.50 H new ATOM 0 HB2 GLU A 26 -4.007 12.576 -2.927 1.00 32.11 H new ATOM 0 HB3 GLU A 26 -3.915 14.308 -3.175 1.00 32.11 H new ATOM 0 HG2 GLU A 26 -5.098 12.924 -0.723 1.00 4.14 H new ATOM 0 HG3 GLU A 26 -3.529 13.700 -0.800 1.00 4.14 H new ATOM 418 N GLY A 27 -6.355 12.164 -5.412 1.00 75.51 N ATOM 419 CA GLY A 27 -6.412 11.872 -6.851 1.00 42.35 C ATOM 420 C GLY A 27 -5.199 11.098 -7.366 1.00 15.54 C ATOM 421 O GLY A 27 -4.774 11.282 -8.515 1.00 62.31 O ATOM 0 H GLY A 27 -6.784 11.445 -4.829 1.00 75.51 H new ATOM 0 HA2 GLY A 27 -7.315 11.299 -7.062 1.00 42.35 H new ATOM 0 HA3 GLY A 27 -6.495 12.810 -7.401 1.00 42.35 H new ATOM 425 N LEU A 28 -4.645 10.228 -6.504 1.00 51.22 N ATOM 426 CA LEU A 28 -3.512 9.339 -6.844 1.00 54.11 C ATOM 427 C LEU A 28 -3.885 7.885 -6.489 1.00 52.44 C ATOM 428 O LEU A 28 -4.650 7.655 -5.541 1.00 40.23 O ATOM 429 CB LEU A 28 -2.185 9.768 -6.125 1.00 13.05 C ATOM 430 CG LEU A 28 -2.054 9.500 -4.585 1.00 13.31 C ATOM 431 CD1 LEU A 28 -0.621 9.772 -4.088 1.00 3.12 C ATOM 432 CD2 LEU A 28 -3.058 10.331 -3.784 1.00 64.00 C ATOM 0 H LEU A 28 -4.971 10.118 -5.544 1.00 51.22 H new ATOM 0 HA LEU A 28 -3.323 9.419 -7.915 1.00 54.11 H new ATOM 0 HB2 LEU A 28 -1.358 9.261 -6.622 1.00 13.05 H new ATOM 0 HB3 LEU A 28 -2.048 10.837 -6.289 1.00 13.05 H new ATOM 0 HG LEU A 28 -2.279 8.446 -4.424 1.00 13.31 H new ATOM 0 HD11 LEU A 28 -0.564 9.577 -3.017 1.00 3.12 H new ATOM 0 HD12 LEU A 28 0.076 9.119 -4.613 1.00 3.12 H new ATOM 0 HD13 LEU A 28 -0.360 10.812 -4.282 1.00 3.12 H new ATOM 0 HD21 LEU A 28 -2.939 10.120 -2.721 1.00 64.00 H new ATOM 0 HD22 LEU A 28 -2.880 11.391 -3.966 1.00 64.00 H new ATOM 0 HD23 LEU A 28 -4.071 10.075 -4.093 1.00 64.00 H new ATOM 444 N GLU A 29 -3.362 6.919 -7.261 1.00 54.22 N ATOM 445 CA GLU A 29 -3.657 5.486 -7.074 1.00 13.10 C ATOM 446 C GLU A 29 -2.880 4.931 -5.863 1.00 44.33 C ATOM 447 O GLU A 29 -1.757 5.348 -5.603 1.00 13.00 O ATOM 448 CB GLU A 29 -3.310 4.716 -8.379 1.00 62.22 C ATOM 449 CG GLU A 29 -3.641 3.206 -8.368 1.00 11.43 C ATOM 450 CD GLU A 29 -3.638 2.583 -9.774 1.00 53.42 C ATOM 451 OE1 GLU A 29 -2.577 2.134 -10.235 1.00 63.13 O ATOM 452 OE2 GLU A 29 -4.709 2.549 -10.425 1.00 34.11 O ATOM 0 H GLU A 29 -2.722 7.108 -8.033 1.00 54.22 H new ATOM 0 HA GLU A 29 -4.719 5.353 -6.867 1.00 13.10 H new ATOM 0 HB2 GLU A 29 -3.844 5.181 -9.208 1.00 62.22 H new ATOM 0 HB3 GLU A 29 -2.245 4.835 -8.579 1.00 62.22 H new ATOM 0 HG2 GLU A 29 -2.916 2.685 -7.743 1.00 11.43 H new ATOM 0 HG3 GLU A 29 -4.620 3.057 -7.912 1.00 11.43 H new ATOM 459 N VAL A 30 -3.509 4.027 -5.097 1.00 23.14 N ATOM 460 CA VAL A 30 -2.889 3.414 -3.905 1.00 22.31 C ATOM 461 C VAL A 30 -2.856 1.879 -4.061 1.00 33.34 C ATOM 462 O VAL A 30 -3.887 1.250 -4.348 1.00 3.12 O ATOM 463 CB VAL A 30 -3.650 3.827 -2.579 1.00 61.01 C ATOM 464 CG1 VAL A 30 -2.989 3.197 -1.330 1.00 5.42 C ATOM 465 CG2 VAL A 30 -3.720 5.369 -2.441 1.00 30.11 C ATOM 0 H VAL A 30 -4.457 3.699 -5.282 1.00 23.14 H new ATOM 0 HA VAL A 30 -1.867 3.785 -3.823 1.00 22.31 H new ATOM 0 HB VAL A 30 -4.667 3.441 -2.649 1.00 61.01 H new ATOM 0 HG11 VAL A 30 -3.536 3.500 -0.437 1.00 5.42 H new ATOM 0 HG12 VAL A 30 -3.009 2.111 -1.416 1.00 5.42 H new ATOM 0 HG13 VAL A 30 -1.956 3.536 -1.255 1.00 5.42 H new ATOM 0 HG21 VAL A 30 -4.247 5.629 -1.523 1.00 30.11 H new ATOM 0 HG22 VAL A 30 -2.710 5.778 -2.407 1.00 30.11 H new ATOM 0 HG23 VAL A 30 -4.252 5.787 -3.295 1.00 30.11 H new ATOM 475 N TYR A 31 -1.663 1.298 -3.869 1.00 74.21 N ATOM 476 CA TYR A 31 -1.446 -0.154 -3.876 1.00 50.13 C ATOM 477 C TYR A 31 -1.278 -0.612 -2.434 1.00 61.43 C ATOM 478 O TYR A 31 -0.663 0.098 -1.632 1.00 45.20 O ATOM 479 CB TYR A 31 -0.168 -0.528 -4.672 1.00 33.11 C ATOM 480 CG TYR A 31 -0.278 -0.372 -6.191 1.00 42.31 C ATOM 481 CD1 TYR A 31 -0.739 -1.419 -6.988 1.00 33.25 C ATOM 482 CD2 TYR A 31 0.092 0.808 -6.831 1.00 12.22 C ATOM 483 CE1 TYR A 31 -0.815 -1.292 -8.361 1.00 24.31 C ATOM 484 CE2 TYR A 31 0.010 0.932 -8.203 1.00 24.21 C ATOM 485 CZ TYR A 31 -0.447 -0.117 -8.961 1.00 24.10 C ATOM 486 OH TYR A 31 -0.526 0.005 -10.331 1.00 2.42 O ATOM 0 H TYR A 31 -0.810 1.832 -3.702 1.00 74.21 H new ATOM 0 HA TYR A 31 -2.298 -0.639 -4.352 1.00 50.13 H new ATOM 0 HB2 TYR A 31 0.656 0.092 -4.318 1.00 33.11 H new ATOM 0 HB3 TYR A 31 0.091 -1.562 -4.447 1.00 33.11 H new ATOM 0 HD1 TYR A 31 -1.042 -2.346 -6.523 1.00 33.25 H new ATOM 0 HD2 TYR A 31 0.449 1.641 -6.243 1.00 12.22 H new ATOM 0 HE1 TYR A 31 -1.164 -2.119 -8.961 1.00 24.31 H new ATOM 0 HE2 TYR A 31 0.305 1.855 -8.680 1.00 24.21 H new ATOM 0 HH TYR A 31 -1.251 -0.561 -10.669 1.00 2.42 H new ATOM 496 N ILE A 32 -1.828 -1.779 -2.092 1.00 12.54 N ATOM 497 CA ILE A 32 -1.660 -2.366 -0.757 1.00 74.35 C ATOM 498 C ILE A 32 -1.035 -3.767 -0.925 1.00 13.11 C ATOM 499 O ILE A 32 -1.679 -4.670 -1.469 1.00 3.14 O ATOM 500 CB ILE A 32 -3.023 -2.463 0.048 1.00 61.51 C ATOM 501 CG1 ILE A 32 -3.864 -1.143 -0.031 1.00 62.21 C ATOM 502 CG2 ILE A 32 -2.749 -2.822 1.530 1.00 5.22 C ATOM 503 CD1 ILE A 32 -3.270 0.060 0.687 1.00 71.14 C ATOM 0 H ILE A 32 -2.398 -2.341 -2.725 1.00 12.54 H new ATOM 0 HA ILE A 32 -1.009 -1.715 -0.173 1.00 74.35 H new ATOM 0 HB ILE A 32 -3.610 -3.253 -0.421 1.00 61.51 H new ATOM 0 HG12 ILE A 32 -4.003 -0.885 -1.081 1.00 62.21 H new ATOM 0 HG13 ILE A 32 -4.853 -1.338 0.383 1.00 62.21 H new ATOM 0 HG21 ILE A 32 -3.694 -2.885 2.070 1.00 5.22 H new ATOM 0 HG22 ILE A 32 -2.236 -3.782 1.583 1.00 5.22 H new ATOM 0 HG23 ILE A 32 -2.124 -2.052 1.981 1.00 5.22 H new ATOM 0 HD11 ILE A 32 -3.932 0.918 0.569 1.00 71.14 H new ATOM 0 HD12 ILE A 32 -3.157 -0.168 1.747 1.00 71.14 H new ATOM 0 HD13 ILE A 32 -2.294 0.293 0.260 1.00 71.14 H new ATOM 515 N LEU A 33 0.226 -3.927 -0.483 1.00 53.44 N ATOM 516 CA LEU A 33 0.944 -5.211 -0.528 1.00 61.33 C ATOM 517 C LEU A 33 0.702 -5.970 0.784 1.00 21.14 C ATOM 518 O LEU A 33 1.199 -5.570 1.843 1.00 64.22 O ATOM 519 CB LEU A 33 2.466 -4.996 -0.755 1.00 75.32 C ATOM 520 CG LEU A 33 2.870 -4.284 -2.079 1.00 50.45 C ATOM 521 CD1 LEU A 33 4.403 -4.281 -2.275 1.00 1.22 C ATOM 522 CD2 LEU A 33 2.149 -4.897 -3.291 1.00 52.24 C ATOM 0 H LEU A 33 0.776 -3.166 -0.084 1.00 53.44 H new ATOM 0 HA LEU A 33 0.565 -5.796 -1.366 1.00 61.33 H new ATOM 0 HB2 LEU A 33 2.858 -4.415 0.080 1.00 75.32 H new ATOM 0 HB3 LEU A 33 2.957 -5.968 -0.725 1.00 75.32 H new ATOM 0 HG LEU A 33 2.549 -3.245 -2.001 1.00 50.45 H new ATOM 0 HD11 LEU A 33 4.649 -3.776 -3.209 1.00 1.22 H new ATOM 0 HD12 LEU A 33 4.875 -3.757 -1.444 1.00 1.22 H new ATOM 0 HD13 LEU A 33 4.767 -5.308 -2.311 1.00 1.22 H new ATOM 0 HD21 LEU A 33 2.455 -4.376 -4.198 1.00 52.24 H new ATOM 0 HD22 LEU A 33 2.409 -5.952 -3.374 1.00 52.24 H new ATOM 0 HD23 LEU A 33 1.071 -4.798 -3.161 1.00 52.24 H new ATOM 534 N LEU A 34 -0.079 -7.050 0.705 1.00 30.34 N ATOM 535 CA LEU A 34 -0.471 -7.844 1.874 1.00 12.24 C ATOM 536 C LEU A 34 0.608 -8.899 2.183 1.00 25.11 C ATOM 537 O LEU A 34 0.929 -9.743 1.336 1.00 61.12 O ATOM 538 CB LEU A 34 -1.876 -8.495 1.647 1.00 73.41 C ATOM 539 CG LEU A 34 -3.115 -7.605 2.019 1.00 73.42 C ATOM 540 CD1 LEU A 34 -3.196 -7.328 3.539 1.00 42.31 C ATOM 541 CD2 LEU A 34 -3.102 -6.293 1.231 1.00 43.23 C ATOM 0 H LEU A 34 -0.459 -7.400 -0.174 1.00 30.34 H new ATOM 0 HA LEU A 34 -0.553 -7.189 2.742 1.00 12.24 H new ATOM 0 HB2 LEU A 34 -1.958 -8.777 0.597 1.00 73.41 H new ATOM 0 HB3 LEU A 34 -1.927 -9.415 2.229 1.00 73.41 H new ATOM 0 HG LEU A 34 -4.007 -8.167 1.743 1.00 73.42 H new ATOM 0 HD11 LEU A 34 -4.068 -6.709 3.750 1.00 42.31 H new ATOM 0 HD12 LEU A 34 -3.282 -8.272 4.077 1.00 42.31 H new ATOM 0 HD13 LEU A 34 -2.295 -6.807 3.863 1.00 42.31 H new ATOM 0 HD21 LEU A 34 -3.970 -5.694 1.507 1.00 43.23 H new ATOM 0 HD22 LEU A 34 -2.192 -5.739 1.461 1.00 43.23 H new ATOM 0 HD23 LEU A 34 -3.135 -6.510 0.163 1.00 43.23 H new ATOM 553 N LYS A 35 1.141 -8.838 3.419 1.00 21.04 N ATOM 554 CA LYS A 35 2.169 -9.761 3.914 1.00 21.12 C ATOM 555 C LYS A 35 1.993 -9.935 5.430 1.00 12.00 C ATOM 556 O LYS A 35 2.134 -8.978 6.179 1.00 31.24 O ATOM 557 CB LYS A 35 3.569 -9.180 3.589 1.00 70.11 C ATOM 558 CG LYS A 35 4.767 -10.027 4.071 1.00 64.00 C ATOM 559 CD LYS A 35 6.114 -9.471 3.565 1.00 33.35 C ATOM 560 CE LYS A 35 6.426 -8.049 4.069 1.00 32.13 C ATOM 561 NZ LYS A 35 6.664 -7.999 5.541 1.00 13.20 N ATOM 0 H LYS A 35 0.863 -8.137 4.106 1.00 21.04 H new ATOM 0 HA LYS A 35 2.073 -10.734 3.433 1.00 21.12 H new ATOM 0 HB2 LYS A 35 3.648 -9.051 2.510 1.00 70.11 H new ATOM 0 HB3 LYS A 35 3.644 -8.188 4.035 1.00 70.11 H new ATOM 0 HG2 LYS A 35 4.774 -10.056 5.161 1.00 64.00 H new ATOM 0 HG3 LYS A 35 4.647 -11.054 3.725 1.00 64.00 H new ATOM 0 HD2 LYS A 35 6.914 -10.142 3.878 1.00 33.35 H new ATOM 0 HD3 LYS A 35 6.109 -9.468 2.475 1.00 33.35 H new ATOM 0 HE2 LYS A 35 7.306 -7.669 3.550 1.00 32.13 H new ATOM 0 HE3 LYS A 35 5.597 -7.388 3.817 1.00 32.13 H new ATOM 0 HZ1 LYS A 35 5.907 -7.451 5.997 1.00 13.20 H new ATOM 0 HZ2 LYS A 35 6.671 -8.966 5.925 1.00 13.20 H new ATOM 0 HZ3 LYS A 35 7.581 -7.546 5.729 1.00 13.20 H new ATOM 575 N ASP A 36 1.664 -11.157 5.864 1.00 15.13 N ATOM 576 CA ASP A 36 1.560 -11.520 7.300 1.00 32.43 C ATOM 577 C ASP A 36 2.247 -12.876 7.531 1.00 72.34 C ATOM 578 O ASP A 36 2.636 -13.551 6.566 1.00 33.45 O ATOM 579 CB ASP A 36 0.066 -11.560 7.736 1.00 72.34 C ATOM 580 CG ASP A 36 -0.137 -11.723 9.257 1.00 45.25 C ATOM 581 OD1 ASP A 36 0.048 -10.739 9.998 1.00 21.13 O ATOM 582 OD2 ASP A 36 -0.482 -12.836 9.716 1.00 0.34 O ATOM 0 H ASP A 36 1.460 -11.932 5.234 1.00 15.13 H new ATOM 0 HA ASP A 36 2.062 -10.768 7.909 1.00 32.43 H new ATOM 0 HB2 ASP A 36 -0.422 -10.641 7.411 1.00 72.34 H new ATOM 0 HB3 ASP A 36 -0.430 -12.384 7.223 1.00 72.34 H new ATOM 587 N LYS A 37 2.391 -13.274 8.809 1.00 61.13 N ATOM 588 CA LYS A 37 2.937 -14.594 9.184 1.00 71.52 C ATOM 589 C LYS A 37 2.007 -15.733 8.686 1.00 14.21 C ATOM 590 O LYS A 37 2.468 -16.828 8.356 1.00 75.31 O ATOM 591 CB LYS A 37 3.137 -14.720 10.725 1.00 65.24 C ATOM 592 CG LYS A 37 3.795 -13.503 11.438 1.00 23.20 C ATOM 593 CD LYS A 37 2.758 -12.520 12.032 1.00 11.10 C ATOM 594 CE LYS A 37 3.395 -11.432 12.906 1.00 73.31 C ATOM 595 NZ LYS A 37 2.362 -10.640 13.635 1.00 55.35 N ATOM 0 H LYS A 37 2.134 -12.694 9.608 1.00 61.13 H new ATOM 0 HA LYS A 37 3.911 -14.686 8.704 1.00 71.52 H new ATOM 0 HB2 LYS A 37 2.164 -14.899 11.182 1.00 65.24 H new ATOM 0 HB3 LYS A 37 3.748 -15.602 10.920 1.00 65.24 H new ATOM 0 HG2 LYS A 37 4.445 -13.863 12.235 1.00 23.20 H new ATOM 0 HG3 LYS A 37 4.427 -12.971 10.728 1.00 23.20 H new ATOM 0 HD2 LYS A 37 2.206 -12.048 11.219 1.00 11.10 H new ATOM 0 HD3 LYS A 37 2.035 -13.079 12.626 1.00 11.10 H new ATOM 0 HE2 LYS A 37 4.075 -11.892 13.623 1.00 73.31 H new ATOM 0 HE3 LYS A 37 3.992 -10.766 12.282 1.00 73.31 H new ATOM 0 HZ1 LYS A 37 2.186 -9.749 13.128 1.00 55.35 H new ATOM 0 HZ2 LYS A 37 1.479 -11.187 13.690 1.00 55.35 H new ATOM 0 HZ3 LYS A 37 2.699 -10.431 14.596 1.00 55.35 H new ATOM 609 N ASP A 38 0.694 -15.430 8.602 1.00 41.42 N ATOM 610 CA ASP A 38 -0.348 -16.380 8.164 1.00 42.44 C ATOM 611 C ASP A 38 -1.114 -15.806 6.955 1.00 4.01 C ATOM 612 O ASP A 38 -1.741 -14.744 7.043 1.00 33.25 O ATOM 613 CB ASP A 38 -1.320 -16.709 9.324 1.00 42.43 C ATOM 614 CG ASP A 38 -2.584 -17.475 8.871 1.00 13.11 C ATOM 615 OD1 ASP A 38 -2.483 -18.684 8.559 1.00 41.54 O ATOM 616 OD2 ASP A 38 -3.680 -16.867 8.826 1.00 13.11 O ATOM 0 H ASP A 38 0.325 -14.509 8.839 1.00 41.42 H new ATOM 0 HA ASP A 38 0.136 -17.309 7.862 1.00 42.44 H new ATOM 0 HB2 ASP A 38 -0.793 -17.303 10.071 1.00 42.43 H new ATOM 0 HB3 ASP A 38 -1.622 -15.781 9.809 1.00 42.43 H new ATOM 621 N GLU A 39 -1.013 -16.530 5.833 1.00 64.21 N ATOM 622 CA GLU A 39 -1.634 -16.173 4.548 1.00 3.33 C ATOM 623 C GLU A 39 -3.183 -16.334 4.532 1.00 15.24 C ATOM 624 O GLU A 39 -3.844 -15.720 3.685 1.00 42.24 O ATOM 625 CB GLU A 39 -0.980 -17.013 3.415 1.00 2.35 C ATOM 626 CG GLU A 39 -1.097 -18.539 3.596 1.00 33.44 C ATOM 627 CD GLU A 39 -0.460 -19.334 2.447 1.00 15.11 C ATOM 628 OE1 GLU A 39 0.762 -19.580 2.486 1.00 50.11 O ATOM 629 OE2 GLU A 39 -1.177 -19.704 1.493 1.00 62.54 O ATOM 0 H GLU A 39 -0.485 -17.402 5.791 1.00 64.21 H new ATOM 0 HA GLU A 39 -1.452 -15.110 4.387 1.00 3.33 H new ATOM 0 HB2 GLU A 39 -1.439 -16.737 2.466 1.00 2.35 H new ATOM 0 HB3 GLU A 39 0.075 -16.748 3.348 1.00 2.35 H new ATOM 0 HG2 GLU A 39 -0.622 -18.825 4.534 1.00 33.44 H new ATOM 0 HG3 GLU A 39 -2.150 -18.809 3.677 1.00 33.44 H new ATOM 636 N LYS A 40 -3.756 -17.124 5.473 1.00 5.42 N ATOM 637 CA LYS A 40 -5.215 -17.440 5.479 1.00 62.21 C ATOM 638 C LYS A 40 -6.059 -16.168 5.728 1.00 22.24 C ATOM 639 O LYS A 40 -6.864 -15.765 4.875 1.00 60.34 O ATOM 640 CB LYS A 40 -5.539 -18.511 6.564 1.00 72.11 C ATOM 641 CG LYS A 40 -7.027 -18.961 6.622 1.00 60.24 C ATOM 642 CD LYS A 40 -7.383 -19.717 7.926 1.00 40.45 C ATOM 643 CE LYS A 40 -6.519 -20.964 8.171 1.00 1.01 C ATOM 644 NZ LYS A 40 -6.847 -21.613 9.473 1.00 53.41 N ATOM 0 H LYS A 40 -3.236 -17.555 6.237 1.00 5.42 H new ATOM 0 HA LYS A 40 -5.472 -17.839 4.498 1.00 62.21 H new ATOM 0 HB2 LYS A 40 -4.917 -19.388 6.384 1.00 72.11 H new ATOM 0 HB3 LYS A 40 -5.257 -18.115 7.539 1.00 72.11 H new ATOM 0 HG2 LYS A 40 -7.669 -18.085 6.530 1.00 60.24 H new ATOM 0 HG3 LYS A 40 -7.240 -19.603 5.767 1.00 60.24 H new ATOM 0 HD2 LYS A 40 -7.273 -19.038 8.771 1.00 40.45 H new ATOM 0 HD3 LYS A 40 -8.431 -20.013 7.889 1.00 40.45 H new ATOM 0 HE2 LYS A 40 -6.670 -21.677 7.360 1.00 1.01 H new ATOM 0 HE3 LYS A 40 -5.465 -20.685 8.158 1.00 1.01 H new ATOM 0 HZ1 LYS A 40 -6.245 -22.451 9.605 1.00 53.41 H new ATOM 0 HZ2 LYS A 40 -6.679 -20.940 10.248 1.00 53.41 H new ATOM 0 HZ3 LYS A 40 -7.846 -21.901 9.475 1.00 53.41 H new ATOM 658 N ARG A 41 -5.821 -15.523 6.880 1.00 44.43 N ATOM 659 CA ARG A 41 -6.545 -14.304 7.294 1.00 2.34 C ATOM 660 C ARG A 41 -6.033 -13.077 6.512 1.00 25.14 C ATOM 661 O ARG A 41 -6.722 -12.057 6.399 1.00 4.53 O ATOM 662 CB ARG A 41 -6.407 -14.085 8.822 1.00 61.33 C ATOM 663 CG ARG A 41 -7.251 -12.923 9.386 1.00 53.24 C ATOM 664 CD ARG A 41 -7.137 -12.778 10.912 1.00 45.22 C ATOM 665 NE ARG A 41 -8.005 -11.710 11.431 1.00 52.34 N ATOM 666 CZ ARG A 41 -7.736 -10.390 11.391 1.00 53.53 C ATOM 667 NH1 ARG A 41 -6.606 -9.927 10.846 1.00 55.24 N ATOM 668 NH2 ARG A 41 -8.608 -9.542 11.913 1.00 70.25 N ATOM 0 H ARG A 41 -5.120 -15.830 7.555 1.00 44.43 H new ATOM 0 HA ARG A 41 -7.602 -14.433 7.063 1.00 2.34 H new ATOM 0 HB2 ARG A 41 -6.691 -15.004 9.334 1.00 61.33 H new ATOM 0 HB3 ARG A 41 -5.358 -13.901 9.056 1.00 61.33 H new ATOM 0 HG2 ARG A 41 -6.937 -11.992 8.914 1.00 53.24 H new ATOM 0 HG3 ARG A 41 -8.296 -13.079 9.119 1.00 53.24 H new ATOM 0 HD2 ARG A 41 -7.402 -13.723 11.387 1.00 45.22 H new ATOM 0 HD3 ARG A 41 -6.102 -12.566 11.180 1.00 45.22 H new ATOM 0 HE ARG A 41 -8.887 -11.993 11.858 1.00 52.34 H new ATOM 0 HH11 ARG A 41 -5.927 -10.577 10.450 1.00 55.24 H new ATOM 0 HH12 ARG A 41 -6.423 -8.924 10.827 1.00 55.24 H new ATOM 0 HH21 ARG A 41 -9.468 -9.891 12.337 1.00 70.25 H new ATOM 0 HH22 ARG A 41 -8.420 -8.540 11.891 1.00 70.25 H new ATOM 682 N LEU A 42 -4.810 -13.193 5.982 1.00 41.23 N ATOM 683 CA LEU A 42 -4.200 -12.171 5.117 1.00 73.23 C ATOM 684 C LEU A 42 -5.059 -11.940 3.852 1.00 74.23 C ATOM 685 O LEU A 42 -5.226 -10.803 3.394 1.00 1.34 O ATOM 686 CB LEU A 42 -2.776 -12.640 4.719 1.00 52.53 C ATOM 687 CG LEU A 42 -1.923 -11.649 3.887 1.00 23.53 C ATOM 688 CD1 LEU A 42 -1.599 -10.386 4.705 1.00 71.52 C ATOM 689 CD2 LEU A 42 -0.647 -12.331 3.342 1.00 50.51 C ATOM 0 H LEU A 42 -4.210 -14.003 6.141 1.00 41.23 H new ATOM 0 HA LEU A 42 -4.142 -11.227 5.659 1.00 73.23 H new ATOM 0 HB2 LEU A 42 -2.229 -12.877 5.631 1.00 52.53 H new ATOM 0 HB3 LEU A 42 -2.869 -13.567 4.153 1.00 52.53 H new ATOM 0 HG LEU A 42 -2.509 -11.335 3.023 1.00 23.53 H new ATOM 0 HD11 LEU A 42 -1.000 -9.705 4.101 1.00 71.52 H new ATOM 0 HD12 LEU A 42 -2.527 -9.893 4.995 1.00 71.52 H new ATOM 0 HD13 LEU A 42 -1.041 -10.665 5.599 1.00 71.52 H new ATOM 0 HD21 LEU A 42 -0.069 -11.611 2.763 1.00 50.51 H new ATOM 0 HD22 LEU A 42 -0.045 -12.694 4.175 1.00 50.51 H new ATOM 0 HD23 LEU A 42 -0.927 -13.169 2.704 1.00 50.51 H new ATOM 701 N GLU A 43 -5.622 -13.042 3.321 1.00 13.21 N ATOM 702 CA GLU A 43 -6.373 -13.034 2.058 1.00 72.24 C ATOM 703 C GLU A 43 -7.811 -12.471 2.230 1.00 15.05 C ATOM 704 O GLU A 43 -8.355 -11.878 1.287 1.00 12.40 O ATOM 705 CB GLU A 43 -6.404 -14.464 1.472 1.00 55.33 C ATOM 706 CG GLU A 43 -6.929 -14.541 0.029 1.00 73.23 C ATOM 707 CD GLU A 43 -7.112 -15.980 -0.459 1.00 24.24 C ATOM 708 OE1 GLU A 43 -6.135 -16.583 -0.944 1.00 43.24 O ATOM 709 OE2 GLU A 43 -8.232 -16.512 -0.359 1.00 25.42 O ATOM 0 H GLU A 43 -5.567 -13.962 3.758 1.00 13.21 H new ATOM 0 HA GLU A 43 -5.863 -12.366 1.364 1.00 72.24 H new ATOM 0 HB2 GLU A 43 -5.397 -14.880 1.503 1.00 55.33 H new ATOM 0 HB3 GLU A 43 -7.028 -15.092 2.108 1.00 55.33 H new ATOM 0 HG2 GLU A 43 -7.882 -14.017 -0.034 1.00 73.23 H new ATOM 0 HG3 GLU A 43 -6.235 -14.023 -0.633 1.00 73.23 H new ATOM 716 N GLU A 44 -8.433 -12.655 3.423 1.00 11.51 N ATOM 717 CA GLU A 44 -9.785 -12.095 3.694 1.00 14.14 C ATOM 718 C GLU A 44 -9.718 -10.554 3.711 1.00 14.33 C ATOM 719 O GLU A 44 -10.652 -9.868 3.265 1.00 73.54 O ATOM 720 CB GLU A 44 -10.412 -12.682 5.010 1.00 0.43 C ATOM 721 CG GLU A 44 -9.843 -12.163 6.365 1.00 54.03 C ATOM 722 CD GLU A 44 -10.636 -10.999 7.015 1.00 24.04 C ATOM 723 OE1 GLU A 44 -10.337 -9.817 6.742 1.00 41.22 O ATOM 724 OE2 GLU A 44 -11.561 -11.263 7.814 1.00 24.43 O ATOM 0 H GLU A 44 -8.030 -13.177 4.201 1.00 11.51 H new ATOM 0 HA GLU A 44 -10.454 -12.396 2.888 1.00 14.14 H new ATOM 0 HB2 GLU A 44 -11.483 -12.479 4.994 1.00 0.43 H new ATOM 0 HB3 GLU A 44 -10.293 -13.765 4.987 1.00 0.43 H new ATOM 0 HG2 GLU A 44 -9.809 -12.995 7.068 1.00 54.03 H new ATOM 0 HG3 GLU A 44 -8.815 -11.837 6.207 1.00 54.03 H new ATOM 731 N LYS A 45 -8.568 -10.027 4.187 1.00 62.41 N ATOM 732 CA LYS A 45 -8.298 -8.582 4.212 1.00 33.43 C ATOM 733 C LYS A 45 -8.175 -8.019 2.772 1.00 35.51 C ATOM 734 O LYS A 45 -8.579 -6.879 2.513 1.00 15.04 O ATOM 735 CB LYS A 45 -7.030 -8.268 5.051 1.00 62.42 C ATOM 736 CG LYS A 45 -6.650 -6.765 5.086 1.00 4.00 C ATOM 737 CD LYS A 45 -7.736 -5.856 5.720 1.00 71.35 C ATOM 738 CE LYS A 45 -7.763 -5.943 7.250 1.00 31.50 C ATOM 739 NZ LYS A 45 -6.529 -5.381 7.863 1.00 33.51 N ATOM 0 H LYS A 45 -7.807 -10.593 4.562 1.00 62.41 H new ATOM 0 HA LYS A 45 -9.142 -8.087 4.692 1.00 33.43 H new ATOM 0 HB2 LYS A 45 -7.188 -8.616 6.072 1.00 62.42 H new ATOM 0 HB3 LYS A 45 -6.191 -8.835 4.647 1.00 62.42 H new ATOM 0 HG2 LYS A 45 -5.721 -6.648 5.644 1.00 4.00 H new ATOM 0 HG3 LYS A 45 -6.455 -6.426 4.069 1.00 4.00 H new ATOM 0 HD2 LYS A 45 -7.558 -4.823 5.422 1.00 71.35 H new ATOM 0 HD3 LYS A 45 -8.713 -6.137 5.327 1.00 71.35 H new ATOM 0 HE2 LYS A 45 -8.633 -5.406 7.628 1.00 31.50 H new ATOM 0 HE3 LYS A 45 -7.876 -6.984 7.552 1.00 31.50 H new ATOM 0 HZ1 LYS A 45 -6.754 -4.990 8.800 1.00 33.51 H new ATOM 0 HZ2 LYS A 45 -5.818 -6.133 7.963 1.00 33.51 H new ATOM 0 HZ3 LYS A 45 -6.152 -4.627 7.255 1.00 33.51 H new ATOM 753 N ILE A 46 -7.668 -8.853 1.837 1.00 12.45 N ATOM 754 CA ILE A 46 -7.575 -8.506 0.401 1.00 2.15 C ATOM 755 C ILE A 46 -8.985 -8.197 -0.156 1.00 72.13 C ATOM 756 O ILE A 46 -9.172 -7.219 -0.890 1.00 72.10 O ATOM 757 CB ILE A 46 -6.895 -9.681 -0.421 1.00 70.24 C ATOM 758 CG1 ILE A 46 -5.394 -9.844 -0.004 1.00 51.11 C ATOM 759 CG2 ILE A 46 -7.052 -9.509 -1.957 1.00 72.30 C ATOM 760 CD1 ILE A 46 -4.625 -10.930 -0.739 1.00 33.34 C ATOM 0 H ILE A 46 -7.312 -9.784 2.056 1.00 12.45 H new ATOM 0 HA ILE A 46 -6.950 -7.619 0.296 1.00 2.15 H new ATOM 0 HB ILE A 46 -7.423 -10.601 -0.169 1.00 70.24 H new ATOM 0 HG12 ILE A 46 -4.886 -8.893 -0.162 1.00 51.11 H new ATOM 0 HG13 ILE A 46 -5.353 -10.054 1.065 1.00 51.11 H new ATOM 0 HG21 ILE A 46 -6.568 -10.341 -2.468 1.00 72.30 H new ATOM 0 HG22 ILE A 46 -8.111 -9.492 -2.215 1.00 72.30 H new ATOM 0 HG23 ILE A 46 -6.588 -8.573 -2.268 1.00 72.30 H new ATOM 0 HD11 ILE A 46 -3.598 -10.958 -0.375 1.00 33.34 H new ATOM 0 HD12 ILE A 46 -5.100 -11.895 -0.562 1.00 33.34 H new ATOM 0 HD13 ILE A 46 -4.625 -10.716 -1.808 1.00 33.34 H new ATOM 772 N GLN A 47 -9.978 -9.010 0.271 1.00 61.44 N ATOM 773 CA GLN A 47 -11.380 -8.870 -0.169 1.00 1.25 C ATOM 774 C GLN A 47 -11.983 -7.551 0.375 1.00 62.23 C ATOM 775 O GLN A 47 -12.664 -6.817 -0.355 1.00 34.21 O ATOM 776 CB GLN A 47 -12.241 -10.082 0.302 1.00 75.41 C ATOM 777 CG GLN A 47 -11.619 -11.485 0.090 1.00 34.42 C ATOM 778 CD GLN A 47 -11.125 -11.745 -1.336 1.00 13.31 C ATOM 779 OE1 GLN A 47 -11.886 -12.182 -2.204 1.00 34.10 O ATOM 780 NE2 GLN A 47 -9.833 -11.546 -1.570 1.00 1.43 N ATOM 0 H GLN A 47 -9.829 -9.777 0.927 1.00 61.44 H new ATOM 0 HA GLN A 47 -11.390 -8.847 -1.259 1.00 1.25 H new ATOM 0 HB2 GLN A 47 -12.455 -9.959 1.364 1.00 75.41 H new ATOM 0 HB3 GLN A 47 -13.196 -10.048 -0.222 1.00 75.41 H new ATOM 0 HG2 GLN A 47 -10.784 -11.608 0.780 1.00 34.42 H new ATOM 0 HG3 GLN A 47 -12.360 -12.241 0.349 1.00 34.42 H new ATOM 0 HE21 GLN A 47 -9.231 -11.184 -0.831 1.00 1.43 H new ATOM 0 HE22 GLN A 47 -9.443 -11.756 -2.489 1.00 1.43 H new ATOM 789 N LYS A 48 -11.691 -7.267 1.670 1.00 12.01 N ATOM 790 CA LYS A 48 -12.139 -6.030 2.372 1.00 24.52 C ATOM 791 C LYS A 48 -11.657 -4.751 1.643 1.00 23.24 C ATOM 792 O LYS A 48 -12.408 -3.781 1.491 1.00 64.32 O ATOM 793 CB LYS A 48 -11.594 -6.022 3.833 1.00 54.33 C ATOM 794 CG LYS A 48 -12.014 -7.236 4.691 1.00 41.41 C ATOM 795 CD LYS A 48 -13.527 -7.260 5.015 1.00 64.23 C ATOM 796 CE LYS A 48 -13.984 -8.603 5.614 1.00 54.55 C ATOM 797 NZ LYS A 48 -13.185 -9.008 6.800 1.00 10.24 N ATOM 0 H LYS A 48 -11.138 -7.888 2.260 1.00 12.01 H new ATOM 0 HA LYS A 48 -13.229 -6.031 2.377 1.00 24.52 H new ATOM 0 HB2 LYS A 48 -10.505 -5.979 3.799 1.00 54.33 H new ATOM 0 HB3 LYS A 48 -11.934 -5.112 4.327 1.00 54.33 H new ATOM 0 HG2 LYS A 48 -11.747 -8.153 4.166 1.00 41.41 H new ATOM 0 HG3 LYS A 48 -11.450 -7.226 5.623 1.00 41.41 H new ATOM 0 HD2 LYS A 48 -13.757 -6.457 5.715 1.00 64.23 H new ATOM 0 HD3 LYS A 48 -14.093 -7.061 4.105 1.00 64.23 H new ATOM 0 HE2 LYS A 48 -15.034 -8.530 5.897 1.00 54.55 H new ATOM 0 HE3 LYS A 48 -13.912 -9.379 4.851 1.00 54.55 H new ATOM 0 HZ1 LYS A 48 -13.558 -9.901 7.181 1.00 10.24 H new ATOM 0 HZ2 LYS A 48 -12.192 -9.139 6.521 1.00 10.24 H new ATOM 0 HZ3 LYS A 48 -13.246 -8.268 7.528 1.00 10.24 H new ATOM 811 N LEU A 49 -10.394 -4.788 1.187 1.00 52.40 N ATOM 812 CA LEU A 49 -9.721 -3.638 0.560 1.00 72.23 C ATOM 813 C LEU A 49 -10.178 -3.415 -0.893 1.00 73.21 C ATOM 814 O LEU A 49 -10.241 -2.268 -1.349 1.00 33.12 O ATOM 815 CB LEU A 49 -8.191 -3.841 0.625 1.00 44.32 C ATOM 816 CG LEU A 49 -7.578 -3.873 2.050 1.00 40.22 C ATOM 817 CD1 LEU A 49 -6.111 -4.324 2.002 1.00 41.11 C ATOM 818 CD2 LEU A 49 -7.728 -2.508 2.744 1.00 75.45 C ATOM 0 H LEU A 49 -9.808 -5.621 1.243 1.00 52.40 H new ATOM 0 HA LEU A 49 -9.997 -2.742 1.116 1.00 72.23 H new ATOM 0 HB2 LEU A 49 -7.945 -4.776 0.122 1.00 44.32 H new ATOM 0 HB3 LEU A 49 -7.712 -3.041 0.061 1.00 44.32 H new ATOM 0 HG LEU A 49 -8.128 -4.603 2.643 1.00 40.22 H new ATOM 0 HD11 LEU A 49 -5.702 -4.339 3.012 1.00 41.11 H new ATOM 0 HD12 LEU A 49 -6.052 -5.324 1.572 1.00 41.11 H new ATOM 0 HD13 LEU A 49 -5.537 -3.630 1.388 1.00 41.11 H new ATOM 0 HD21 LEU A 49 -7.291 -2.557 3.741 1.00 75.45 H new ATOM 0 HD22 LEU A 49 -7.215 -1.744 2.160 1.00 75.45 H new ATOM 0 HD23 LEU A 49 -8.785 -2.255 2.824 1.00 75.45 H new ATOM 830 N LYS A 50 -10.496 -4.507 -1.617 1.00 41.32 N ATOM 831 CA LYS A 50 -11.043 -4.413 -2.986 1.00 32.33 C ATOM 832 C LYS A 50 -12.461 -3.805 -2.965 1.00 71.54 C ATOM 833 O LYS A 50 -12.835 -3.073 -3.889 1.00 54.44 O ATOM 834 CB LYS A 50 -11.045 -5.800 -3.683 1.00 62.41 C ATOM 835 CG LYS A 50 -9.636 -6.372 -3.967 1.00 31.55 C ATOM 836 CD LYS A 50 -9.680 -7.760 -4.652 1.00 54.50 C ATOM 837 CE LYS A 50 -10.368 -7.730 -6.028 1.00 14.33 C ATOM 838 NZ LYS A 50 -10.379 -9.070 -6.676 1.00 51.42 N ATOM 0 H LYS A 50 -10.384 -5.462 -1.278 1.00 41.32 H new ATOM 0 HA LYS A 50 -10.397 -3.752 -3.563 1.00 32.33 H new ATOM 0 HB2 LYS A 50 -11.592 -6.506 -3.059 1.00 62.41 H new ATOM 0 HB3 LYS A 50 -11.588 -5.720 -4.625 1.00 62.41 H new ATOM 0 HG2 LYS A 50 -9.087 -5.676 -4.601 1.00 31.55 H new ATOM 0 HG3 LYS A 50 -9.085 -6.451 -3.030 1.00 31.55 H new ATOM 0 HD2 LYS A 50 -8.663 -8.134 -4.769 1.00 54.50 H new ATOM 0 HD3 LYS A 50 -10.205 -8.462 -4.005 1.00 54.50 H new ATOM 0 HE2 LYS A 50 -11.392 -7.374 -5.914 1.00 14.33 H new ATOM 0 HE3 LYS A 50 -9.854 -7.019 -6.675 1.00 14.33 H new ATOM 0 HZ1 LYS A 50 -10.851 -9.005 -7.600 1.00 51.42 H new ATOM 0 HZ2 LYS A 50 -9.402 -9.399 -6.809 1.00 51.42 H new ATOM 0 HZ3 LYS A 50 -10.892 -9.744 -6.072 1.00 51.42 H new ATOM 852 N SER A 51 -13.231 -4.101 -1.897 1.00 62.30 N ATOM 853 CA SER A 51 -14.531 -3.437 -1.632 1.00 22.13 C ATOM 854 C SER A 51 -14.358 -1.909 -1.429 1.00 25.44 C ATOM 855 O SER A 51 -15.231 -1.119 -1.809 1.00 70.14 O ATOM 856 CB SER A 51 -15.203 -4.071 -0.392 1.00 44.24 C ATOM 857 OG SER A 51 -15.359 -5.474 -0.559 1.00 4.34 O ATOM 0 H SER A 51 -12.975 -4.799 -1.199 1.00 62.30 H new ATOM 0 HA SER A 51 -15.170 -3.584 -2.503 1.00 22.13 H new ATOM 0 HB2 SER A 51 -14.601 -3.871 0.494 1.00 44.24 H new ATOM 0 HB3 SER A 51 -16.177 -3.610 -0.226 1.00 44.24 H new ATOM 0 HG SER A 51 -14.484 -5.910 -0.495 1.00 4.34 H new ATOM 863 N GLN A 52 -13.221 -1.514 -0.822 1.00 22.35 N ATOM 864 CA GLN A 52 -12.853 -0.092 -0.631 1.00 15.14 C ATOM 865 C GLN A 52 -12.168 0.502 -1.886 1.00 14.22 C ATOM 866 O GLN A 52 -11.841 1.689 -1.902 1.00 11.01 O ATOM 867 CB GLN A 52 -11.921 0.060 0.595 1.00 34.41 C ATOM 868 CG GLN A 52 -12.517 -0.414 1.921 1.00 54.43 C ATOM 869 CD GLN A 52 -11.525 -0.307 3.073 1.00 70.13 C ATOM 870 OE1 GLN A 52 -10.734 -1.341 3.273 1.00 12.04 O flip ATOM 871 NE2 GLN A 52 -11.443 0.716 3.747 1.00 21.32 N flip ATOM 0 H GLN A 52 -12.532 -2.168 -0.450 1.00 22.35 H new ATOM 0 HA GLN A 52 -13.776 0.462 -0.460 1.00 15.14 H new ATOM 0 HB2 GLN A 52 -11.003 -0.497 0.406 1.00 34.41 H new ATOM 0 HB3 GLN A 52 -11.643 1.109 0.693 1.00 34.41 H new ATOM 0 HG2 GLN A 52 -13.403 0.178 2.151 1.00 54.43 H new ATOM 0 HG3 GLN A 52 -12.843 -1.449 1.821 1.00 54.43 H new ATOM 0 HE21 GLN A 52 -12.072 1.498 3.565 1.00 21.32 H new ATOM 0 HE22 GLN A 52 -10.746 0.784 4.489 1.00 21.32 H new ATOM 880 N GLY A 53 -11.917 -0.341 -2.906 1.00 24.54 N ATOM 881 CA GLY A 53 -11.368 0.112 -4.189 1.00 11.31 C ATOM 882 C GLY A 53 -9.859 0.346 -4.147 1.00 21.32 C ATOM 883 O GLY A 53 -9.372 1.385 -4.599 1.00 3.12 O ATOM 0 H GLY A 53 -12.089 -1.345 -2.861 1.00 24.54 H new ATOM 0 HA2 GLY A 53 -11.593 -0.629 -4.956 1.00 11.31 H new ATOM 0 HA3 GLY A 53 -11.865 1.036 -4.484 1.00 11.31 H new ATOM 887 N PHE A 54 -9.123 -0.612 -3.566 1.00 43.11 N ATOM 888 CA PHE A 54 -7.643 -0.590 -3.538 1.00 42.40 C ATOM 889 C PHE A 54 -7.082 -1.591 -4.545 1.00 11.55 C ATOM 890 O PHE A 54 -7.657 -2.673 -4.733 1.00 1.33 O ATOM 891 CB PHE A 54 -7.104 -0.922 -2.119 1.00 61.51 C ATOM 892 CG PHE A 54 -7.339 0.182 -1.096 1.00 10.13 C ATOM 893 CD1 PHE A 54 -6.640 1.381 -1.193 1.00 14.33 C ATOM 894 CD2 PHE A 54 -8.249 0.031 -0.050 1.00 44.21 C ATOM 895 CE1 PHE A 54 -6.841 2.389 -0.278 1.00 61.14 C ATOM 896 CE2 PHE A 54 -8.448 1.045 0.868 1.00 32.33 C ATOM 897 CZ PHE A 54 -7.745 2.222 0.752 1.00 14.54 C ATOM 0 H PHE A 54 -9.530 -1.424 -3.102 1.00 43.11 H new ATOM 0 HA PHE A 54 -7.318 0.416 -3.805 1.00 42.40 H new ATOM 0 HB2 PHE A 54 -7.578 -1.838 -1.766 1.00 61.51 H new ATOM 0 HB3 PHE A 54 -6.034 -1.121 -2.185 1.00 61.51 H new ATOM 0 HD1 PHE A 54 -5.931 1.522 -1.996 1.00 14.33 H new ATOM 0 HD2 PHE A 54 -8.805 -0.890 0.044 1.00 44.21 H new ATOM 0 HE1 PHE A 54 -6.290 3.314 -0.366 1.00 61.14 H new ATOM 0 HE2 PHE A 54 -9.154 0.914 1.675 1.00 32.33 H new ATOM 0 HZ PHE A 54 -7.900 3.016 1.467 1.00 14.54 H new ATOM 907 N GLU A 55 -5.962 -1.226 -5.198 1.00 51.13 N ATOM 908 CA GLU A 55 -5.227 -2.150 -6.067 1.00 32.03 C ATOM 909 C GLU A 55 -4.340 -3.024 -5.156 1.00 14.03 C ATOM 910 O GLU A 55 -3.227 -2.647 -4.779 1.00 64.34 O ATOM 911 CB GLU A 55 -4.405 -1.393 -7.163 1.00 20.20 C ATOM 912 CG GLU A 55 -4.387 -2.083 -8.557 1.00 54.24 C ATOM 913 CD GLU A 55 -3.996 -3.580 -8.526 1.00 35.10 C ATOM 914 OE1 GLU A 55 -2.800 -3.889 -8.378 1.00 74.44 O ATOM 915 OE2 GLU A 55 -4.887 -4.453 -8.649 1.00 1.42 O ATOM 0 H GLU A 55 -5.550 -0.295 -5.136 1.00 51.13 H new ATOM 0 HA GLU A 55 -5.918 -2.782 -6.625 1.00 32.03 H new ATOM 0 HB2 GLU A 55 -4.814 -0.389 -7.275 1.00 20.20 H new ATOM 0 HB3 GLU A 55 -3.378 -1.282 -6.815 1.00 20.20 H new ATOM 0 HG2 GLU A 55 -5.374 -1.988 -9.009 1.00 54.24 H new ATOM 0 HG3 GLU A 55 -3.688 -1.551 -9.203 1.00 54.24 H new ATOM 922 N VAL A 56 -4.909 -4.159 -4.744 1.00 24.34 N ATOM 923 CA VAL A 56 -4.323 -5.052 -3.738 1.00 2.03 C ATOM 924 C VAL A 56 -3.501 -6.158 -4.412 1.00 34.34 C ATOM 925 O VAL A 56 -3.976 -6.797 -5.353 1.00 24.41 O ATOM 926 CB VAL A 56 -5.454 -5.690 -2.858 1.00 55.22 C ATOM 927 CG1 VAL A 56 -4.864 -6.581 -1.758 1.00 43.42 C ATOM 928 CG2 VAL A 56 -6.365 -4.601 -2.260 1.00 33.32 C ATOM 0 H VAL A 56 -5.804 -4.490 -5.105 1.00 24.34 H new ATOM 0 HA VAL A 56 -3.662 -4.465 -3.100 1.00 2.03 H new ATOM 0 HB VAL A 56 -6.064 -6.322 -3.504 1.00 55.22 H new ATOM 0 HG11 VAL A 56 -5.672 -7.009 -1.164 1.00 43.42 H new ATOM 0 HG12 VAL A 56 -4.283 -7.383 -2.212 1.00 43.42 H new ATOM 0 HG13 VAL A 56 -4.218 -5.984 -1.114 1.00 43.42 H new ATOM 0 HG21 VAL A 56 -7.141 -5.068 -1.654 1.00 33.32 H new ATOM 0 HG22 VAL A 56 -5.772 -3.932 -1.637 1.00 33.32 H new ATOM 0 HG23 VAL A 56 -6.828 -4.031 -3.066 1.00 33.32 H new ATOM 938 N ARG A 57 -2.283 -6.393 -3.913 1.00 23.24 N ATOM 939 CA ARG A 57 -1.385 -7.416 -4.452 1.00 55.34 C ATOM 940 C ARG A 57 -0.789 -8.217 -3.280 1.00 10.12 C ATOM 941 O ARG A 57 -0.295 -7.631 -2.314 1.00 52.41 O ATOM 942 CB ARG A 57 -0.271 -6.737 -5.300 1.00 70.04 C ATOM 943 CG ARG A 57 0.573 -7.700 -6.171 1.00 24.13 C ATOM 944 CD ARG A 57 -0.062 -8.015 -7.538 1.00 20.22 C ATOM 945 NE ARG A 57 -1.388 -8.663 -7.435 1.00 42.30 N ATOM 946 CZ ARG A 57 -2.541 -8.166 -7.934 1.00 65.34 C ATOM 947 NH1 ARG A 57 -2.568 -7.001 -8.585 1.00 40.01 N ATOM 948 NH2 ARG A 57 -3.671 -8.841 -7.777 1.00 62.13 N ATOM 0 H ARG A 57 -1.893 -5.878 -3.124 1.00 23.24 H new ATOM 0 HA ARG A 57 -1.930 -8.100 -5.102 1.00 55.34 H new ATOM 0 HB2 ARG A 57 -0.733 -5.995 -5.951 1.00 70.04 H new ATOM 0 HB3 ARG A 57 0.398 -6.199 -4.628 1.00 70.04 H new ATOM 0 HG2 ARG A 57 1.559 -7.262 -6.330 1.00 24.13 H new ATOM 0 HG3 ARG A 57 0.722 -8.632 -5.626 1.00 24.13 H new ATOM 0 HD2 ARG A 57 -0.161 -7.090 -8.106 1.00 20.22 H new ATOM 0 HD3 ARG A 57 0.609 -8.664 -8.101 1.00 20.22 H new ATOM 0 HE ARG A 57 -1.436 -9.558 -6.948 1.00 42.30 H new ATOM 0 HH11 ARG A 57 -1.708 -6.468 -8.713 1.00 40.01 H new ATOM 0 HH12 ARG A 57 -3.449 -6.643 -8.954 1.00 40.01 H new ATOM 0 HH21 ARG A 57 -3.668 -9.732 -7.281 1.00 62.13 H new ATOM 0 HH22 ARG A 57 -4.544 -8.469 -8.152 1.00 62.13 H new ATOM 962 N LYS A 58 -0.865 -9.552 -3.362 1.00 73.44 N ATOM 963 CA LYS A 58 -0.347 -10.464 -2.325 1.00 3.05 C ATOM 964 C LYS A 58 1.132 -10.754 -2.631 1.00 24.12 C ATOM 965 O LYS A 58 1.481 -11.091 -3.769 1.00 35.31 O ATOM 966 CB LYS A 58 -1.175 -11.779 -2.324 1.00 11.24 C ATOM 967 CG LYS A 58 -0.762 -12.829 -1.259 1.00 73.43 C ATOM 968 CD LYS A 58 -1.474 -14.191 -1.467 1.00 42.43 C ATOM 969 CE LYS A 58 -3.006 -14.099 -1.389 1.00 32.43 C ATOM 970 NZ LYS A 58 -3.661 -15.395 -1.732 1.00 4.44 N ATOM 0 H LYS A 58 -1.290 -10.036 -4.153 1.00 73.44 H new ATOM 0 HA LYS A 58 -0.432 -10.008 -1.339 1.00 3.05 H new ATOM 0 HB2 LYS A 58 -2.224 -11.527 -2.172 1.00 11.24 H new ATOM 0 HB3 LYS A 58 -1.097 -12.237 -3.310 1.00 11.24 H new ATOM 0 HG2 LYS A 58 0.317 -12.976 -1.297 1.00 73.43 H new ATOM 0 HG3 LYS A 58 -0.997 -12.447 -0.265 1.00 73.43 H new ATOM 0 HD2 LYS A 58 -1.191 -14.595 -2.439 1.00 42.43 H new ATOM 0 HD3 LYS A 58 -1.121 -14.895 -0.714 1.00 42.43 H new ATOM 0 HE2 LYS A 58 -3.301 -13.799 -0.383 1.00 32.43 H new ATOM 0 HE3 LYS A 58 -3.358 -13.323 -2.069 1.00 32.43 H new ATOM 0 HZ1 LYS A 58 -4.560 -15.477 -1.215 1.00 4.44 H new ATOM 0 HZ2 LYS A 58 -3.845 -15.431 -2.755 1.00 4.44 H new ATOM 0 HZ3 LYS A 58 -3.035 -16.182 -1.465 1.00 4.44 H new ATOM 984 N VAL A 59 1.992 -10.621 -1.617 1.00 73.12 N ATOM 985 CA VAL A 59 3.459 -10.794 -1.762 1.00 32.32 C ATOM 986 C VAL A 59 3.950 -11.914 -0.828 1.00 23.34 C ATOM 987 O VAL A 59 3.191 -12.398 0.029 1.00 43.24 O ATOM 988 CB VAL A 59 4.226 -9.458 -1.446 1.00 2.14 C ATOM 989 CG1 VAL A 59 3.953 -8.365 -2.510 1.00 43.45 C ATOM 990 CG2 VAL A 59 3.859 -8.967 -0.035 1.00 32.40 C ATOM 0 H VAL A 59 1.700 -10.390 -0.667 1.00 73.12 H new ATOM 0 HA VAL A 59 3.666 -11.066 -2.797 1.00 32.32 H new ATOM 0 HB VAL A 59 5.296 -9.665 -1.481 1.00 2.14 H new ATOM 0 HG11 VAL A 59 4.503 -7.460 -2.251 1.00 43.45 H new ATOM 0 HG12 VAL A 59 4.278 -8.720 -3.488 1.00 43.45 H new ATOM 0 HG13 VAL A 59 2.886 -8.145 -2.540 1.00 43.45 H new ATOM 0 HG21 VAL A 59 4.393 -8.041 0.179 1.00 32.40 H new ATOM 0 HG22 VAL A 59 2.785 -8.787 0.020 1.00 32.40 H new ATOM 0 HG23 VAL A 59 4.138 -9.724 0.698 1.00 32.40 H new ATOM 1000 N LYS A 60 5.214 -12.329 -1.014 1.00 42.20 N ATOM 1001 CA LYS A 60 5.854 -13.347 -0.167 1.00 23.55 C ATOM 1002 C LYS A 60 6.637 -12.667 0.975 1.00 53.34 C ATOM 1003 O LYS A 60 6.210 -12.703 2.132 1.00 41.04 O ATOM 1004 CB LYS A 60 6.777 -14.282 -1.016 1.00 20.45 C ATOM 1005 CG LYS A 60 6.080 -15.073 -2.168 1.00 22.22 C ATOM 1006 CD LYS A 60 5.257 -16.325 -1.719 1.00 73.13 C ATOM 1007 CE LYS A 60 3.930 -16.012 -0.998 1.00 33.23 C ATOM 1008 NZ LYS A 60 3.181 -17.254 -0.636 1.00 52.10 N ATOM 0 H LYS A 60 5.818 -11.969 -1.753 1.00 42.20 H new ATOM 0 HA LYS A 60 5.079 -13.973 0.275 1.00 23.55 H new ATOM 0 HB2 LYS A 60 7.574 -13.677 -1.448 1.00 20.45 H new ATOM 0 HB3 LYS A 60 7.250 -14.999 -0.345 1.00 20.45 H new ATOM 0 HG2 LYS A 60 5.415 -14.394 -2.701 1.00 22.22 H new ATOM 0 HG3 LYS A 60 6.842 -15.395 -2.877 1.00 22.22 H new ATOM 0 HD2 LYS A 60 5.040 -16.932 -2.598 1.00 73.13 H new ATOM 0 HD3 LYS A 60 5.877 -16.930 -1.058 1.00 73.13 H new ATOM 0 HE2 LYS A 60 4.135 -15.437 -0.095 1.00 33.23 H new ATOM 0 HE3 LYS A 60 3.308 -15.388 -1.639 1.00 33.23 H new ATOM 0 HZ1 LYS A 60 2.296 -16.998 -0.154 1.00 52.10 H new ATOM 0 HZ2 LYS A 60 2.962 -17.791 -1.499 1.00 52.10 H new ATOM 0 HZ3 LYS A 60 3.763 -17.839 -0.003 1.00 52.10 H new ATOM 1022 N ASP A 61 7.741 -11.985 0.632 1.00 35.10 N ATOM 1023 CA ASP A 61 8.718 -11.462 1.628 1.00 21.12 C ATOM 1024 C ASP A 61 9.090 -9.987 1.315 1.00 12.40 C ATOM 1025 O ASP A 61 8.609 -9.426 0.330 1.00 13.23 O ATOM 1026 CB ASP A 61 9.965 -12.397 1.623 1.00 61.05 C ATOM 1027 CG ASP A 61 10.975 -12.102 2.737 1.00 4.41 C ATOM 1028 OD1 ASP A 61 10.726 -12.483 3.901 1.00 51.54 O ATOM 1029 OD2 ASP A 61 12.011 -11.470 2.463 1.00 1.42 O ATOM 0 H ASP A 61 7.990 -11.776 -0.335 1.00 35.10 H new ATOM 0 HA ASP A 61 8.279 -11.461 2.626 1.00 21.12 H new ATOM 0 HB2 ASP A 61 9.631 -13.430 1.715 1.00 61.05 H new ATOM 0 HB3 ASP A 61 10.467 -12.309 0.660 1.00 61.05 H new ATOM 1034 N ASP A 62 9.906 -9.356 2.185 1.00 54.41 N ATOM 1035 CA ASP A 62 10.378 -7.954 2.019 1.00 62.04 C ATOM 1036 C ASP A 62 11.373 -7.813 0.853 1.00 30.52 C ATOM 1037 O ASP A 62 11.444 -6.760 0.217 1.00 70.10 O ATOM 1038 CB ASP A 62 11.019 -7.449 3.334 1.00 44.31 C ATOM 1039 CG ASP A 62 10.049 -7.550 4.524 1.00 70.21 C ATOM 1040 OD1 ASP A 62 9.841 -8.675 5.033 1.00 14.11 O ATOM 1041 OD2 ASP A 62 9.467 -6.523 4.937 1.00 40.14 O ATOM 0 H ASP A 62 10.262 -9.803 3.030 1.00 54.41 H new ATOM 0 HA ASP A 62 9.509 -7.341 1.781 1.00 62.04 H new ATOM 0 HB2 ASP A 62 11.916 -8.031 3.547 1.00 44.31 H new ATOM 0 HB3 ASP A 62 11.333 -6.413 3.209 1.00 44.31 H new ATOM 1046 N ASP A 63 12.183 -8.861 0.633 1.00 20.12 N ATOM 1047 CA ASP A 63 12.977 -9.019 -0.614 1.00 31.12 C ATOM 1048 C ASP A 63 12.076 -8.916 -1.870 1.00 51.32 C ATOM 1049 O ASP A 63 12.479 -8.327 -2.879 1.00 30.43 O ATOM 1050 CB ASP A 63 13.770 -10.360 -0.629 1.00 3.21 C ATOM 1051 CG ASP A 63 14.955 -10.378 0.361 1.00 12.53 C ATOM 1052 OD1 ASP A 63 14.729 -10.522 1.576 1.00 34.22 O ATOM 1053 OD2 ASP A 63 16.119 -10.224 -0.074 1.00 54.11 O ATOM 0 H ASP A 63 12.311 -9.620 1.302 1.00 20.12 H new ATOM 0 HA ASP A 63 13.698 -8.202 -0.636 1.00 31.12 H new ATOM 0 HB2 ASP A 63 13.092 -11.178 -0.388 1.00 3.21 H new ATOM 0 HB3 ASP A 63 14.144 -10.542 -1.637 1.00 3.21 H new ATOM 1058 N ASP A 64 10.841 -9.460 -1.773 1.00 51.10 N ATOM 1059 CA ASP A 64 9.835 -9.395 -2.863 1.00 61.24 C ATOM 1060 C ASP A 64 9.170 -8.006 -2.935 1.00 61.23 C ATOM 1061 O ASP A 64 8.791 -7.564 -4.016 1.00 44.15 O ATOM 1062 CB ASP A 64 8.739 -10.480 -2.686 1.00 73.25 C ATOM 1063 CG ASP A 64 9.294 -11.908 -2.758 1.00 51.35 C ATOM 1064 OD1 ASP A 64 9.751 -12.429 -1.718 1.00 24.42 O ATOM 1065 OD2 ASP A 64 9.295 -12.508 -3.854 1.00 12.14 O ATOM 0 H ASP A 64 10.513 -9.954 -0.943 1.00 51.10 H new ATOM 0 HA ASP A 64 10.370 -9.579 -3.795 1.00 61.24 H new ATOM 0 HB2 ASP A 64 8.244 -10.336 -1.725 1.00 73.25 H new ATOM 0 HB3 ASP A 64 7.980 -10.351 -3.458 1.00 73.25 H new ATOM 1070 N ILE A 65 9.025 -7.344 -1.770 1.00 33.41 N ATOM 1071 CA ILE A 65 8.475 -5.965 -1.667 1.00 30.40 C ATOM 1072 C ILE A 65 9.396 -4.960 -2.397 1.00 60.43 C ATOM 1073 O ILE A 65 8.956 -4.205 -3.263 1.00 23.34 O ATOM 1074 CB ILE A 65 8.332 -5.522 -0.163 1.00 74.54 C ATOM 1075 CG1 ILE A 65 7.306 -6.416 0.607 1.00 24.13 C ATOM 1076 CG2 ILE A 65 7.977 -4.015 -0.039 1.00 55.03 C ATOM 1077 CD1 ILE A 65 5.855 -6.076 0.399 1.00 63.13 C ATOM 0 H ILE A 65 9.284 -7.745 -0.869 1.00 33.41 H new ATOM 0 HA ILE A 65 7.490 -5.970 -2.133 1.00 30.40 H new ATOM 0 HB ILE A 65 9.305 -5.666 0.306 1.00 74.54 H new ATOM 0 HG12 ILE A 65 7.463 -7.453 0.311 1.00 24.13 H new ATOM 0 HG13 ILE A 65 7.525 -6.352 1.673 1.00 24.13 H new ATOM 0 HG21 ILE A 65 7.887 -3.748 1.014 1.00 55.03 H new ATOM 0 HG22 ILE A 65 8.764 -3.417 -0.499 1.00 55.03 H new ATOM 0 HG23 ILE A 65 7.031 -3.821 -0.545 1.00 55.03 H new ATOM 0 HD11 ILE A 65 5.234 -6.759 0.979 1.00 63.13 H new ATOM 0 HD12 ILE A 65 5.671 -5.052 0.725 1.00 63.13 H new ATOM 0 HD13 ILE A 65 5.607 -6.170 -0.658 1.00 63.13 H new ATOM 1089 N ASP A 66 10.679 -4.978 -2.017 1.00 23.35 N ATOM 1090 CA ASP A 66 11.728 -4.110 -2.581 1.00 61.53 C ATOM 1091 C ASP A 66 11.862 -4.326 -4.102 1.00 30.34 C ATOM 1092 O ASP A 66 12.014 -3.367 -4.871 1.00 55.14 O ATOM 1093 CB ASP A 66 13.055 -4.430 -1.845 1.00 63.23 C ATOM 1094 CG ASP A 66 14.265 -3.643 -2.366 1.00 23.23 C ATOM 1095 OD1 ASP A 66 14.258 -2.402 -2.264 1.00 75.32 O ATOM 1096 OD2 ASP A 66 15.232 -4.258 -2.858 1.00 52.20 O ATOM 0 H ASP A 66 11.028 -5.608 -1.294 1.00 23.35 H new ATOM 0 HA ASP A 66 11.469 -3.061 -2.436 1.00 61.53 H new ATOM 0 HB2 ASP A 66 12.929 -4.221 -0.783 1.00 63.23 H new ATOM 0 HB3 ASP A 66 13.261 -5.496 -1.937 1.00 63.23 H new ATOM 1101 N LYS A 67 11.740 -5.607 -4.496 1.00 12.52 N ATOM 1102 CA LYS A 67 11.744 -6.044 -5.902 1.00 0.11 C ATOM 1103 C LYS A 67 10.481 -5.528 -6.632 1.00 3.51 C ATOM 1104 O LYS A 67 10.553 -5.100 -7.791 1.00 52.33 O ATOM 1105 CB LYS A 67 11.817 -7.603 -5.962 1.00 63.02 C ATOM 1106 CG LYS A 67 11.740 -8.233 -7.377 1.00 11.32 C ATOM 1107 CD LYS A 67 12.881 -7.793 -8.315 1.00 52.34 C ATOM 1108 CE LYS A 67 14.266 -8.206 -7.807 1.00 4.40 C ATOM 1109 NZ LYS A 67 15.339 -7.781 -8.746 1.00 55.51 N ATOM 0 H LYS A 67 11.634 -6.378 -3.836 1.00 12.52 H new ATOM 0 HA LYS A 67 12.617 -5.628 -6.405 1.00 0.11 H new ATOM 0 HB2 LYS A 67 12.749 -7.922 -5.494 1.00 63.02 H new ATOM 0 HB3 LYS A 67 11.003 -8.008 -5.361 1.00 63.02 H new ATOM 0 HG2 LYS A 67 11.757 -9.319 -7.283 1.00 11.32 H new ATOM 0 HG3 LYS A 67 10.785 -7.968 -7.832 1.00 11.32 H new ATOM 0 HD2 LYS A 67 12.719 -8.224 -9.303 1.00 52.34 H new ATOM 0 HD3 LYS A 67 12.851 -6.710 -8.432 1.00 52.34 H new ATOM 0 HE2 LYS A 67 14.442 -7.763 -6.827 1.00 4.40 H new ATOM 0 HE3 LYS A 67 14.300 -9.288 -7.679 1.00 4.40 H new ATOM 0 HZ1 LYS A 67 16.264 -8.076 -8.373 1.00 55.51 H new ATOM 0 HZ2 LYS A 67 15.183 -8.223 -9.674 1.00 55.51 H new ATOM 0 HZ3 LYS A 67 15.321 -6.746 -8.848 1.00 55.51 H new ATOM 1123 N TRP A 68 9.342 -5.563 -5.912 1.00 14.33 N ATOM 1124 CA TRP A 68 8.019 -5.180 -6.436 1.00 32.04 C ATOM 1125 C TRP A 68 7.998 -3.701 -6.862 1.00 31.02 C ATOM 1126 O TRP A 68 7.510 -3.363 -7.939 1.00 54.21 O ATOM 1127 CB TRP A 68 6.918 -5.441 -5.365 1.00 51.34 C ATOM 1128 CG TRP A 68 5.533 -5.571 -5.936 1.00 52.53 C ATOM 1129 CD1 TRP A 68 4.951 -6.721 -6.374 1.00 72.30 C ATOM 1130 CD2 TRP A 68 4.567 -4.528 -6.135 1.00 1.15 C ATOM 1131 NE1 TRP A 68 3.701 -6.460 -6.855 1.00 1.15 N ATOM 1132 CE2 TRP A 68 3.438 -5.124 -6.718 1.00 51.02 C ATOM 1133 CE3 TRP A 68 4.551 -3.150 -5.887 1.00 35.22 C ATOM 1134 CZ2 TRP A 68 2.304 -4.397 -7.049 1.00 0.44 C ATOM 1135 CZ3 TRP A 68 3.421 -2.430 -6.213 1.00 65.05 C ATOM 1136 CH2 TRP A 68 2.315 -3.055 -6.794 1.00 12.53 C ATOM 0 H TRP A 68 9.317 -5.862 -4.937 1.00 14.33 H new ATOM 0 HA TRP A 68 7.815 -5.792 -7.315 1.00 32.04 H new ATOM 0 HB2 TRP A 68 7.163 -6.353 -4.820 1.00 51.34 H new ATOM 0 HB3 TRP A 68 6.927 -4.626 -4.642 1.00 51.34 H new ATOM 0 HD1 TRP A 68 5.411 -7.698 -6.345 1.00 72.30 H new ATOM 0 HE1 TRP A 68 3.064 -7.150 -7.253 1.00 1.15 H new ATOM 0 HE3 TRP A 68 5.408 -2.660 -5.449 1.00 35.22 H new ATOM 0 HZ2 TRP A 68 1.443 -4.875 -7.493 1.00 0.44 H new ATOM 0 HZ3 TRP A 68 3.391 -1.368 -6.016 1.00 65.05 H new ATOM 0 HH2 TRP A 68 1.448 -2.463 -7.048 1.00 12.53 H new ATOM 1147 N ILE A 69 8.569 -2.839 -6.011 1.00 51.53 N ATOM 1148 CA ILE A 69 8.594 -1.380 -6.243 1.00 73.33 C ATOM 1149 C ILE A 69 9.622 -1.042 -7.338 1.00 32.23 C ATOM 1150 O ILE A 69 9.375 -0.171 -8.183 1.00 64.43 O ATOM 1151 CB ILE A 69 8.873 -0.585 -4.896 1.00 23.33 C ATOM 1152 CG1 ILE A 69 7.557 -0.458 -4.046 1.00 2.41 C ATOM 1153 CG2 ILE A 69 9.516 0.813 -5.136 1.00 63.21 C ATOM 1154 CD1 ILE A 69 7.017 -1.752 -3.450 1.00 12.03 C ATOM 0 H ILE A 69 9.026 -3.126 -5.145 1.00 51.53 H new ATOM 0 HA ILE A 69 7.612 -1.062 -6.592 1.00 73.33 H new ATOM 0 HB ILE A 69 9.604 -1.167 -4.334 1.00 23.33 H new ATOM 0 HG12 ILE A 69 7.740 0.244 -3.233 1.00 2.41 H new ATOM 0 HG13 ILE A 69 6.782 -0.021 -4.676 1.00 2.41 H new ATOM 0 HG21 ILE A 69 9.682 1.306 -4.178 1.00 63.21 H new ATOM 0 HG22 ILE A 69 10.469 0.692 -5.652 1.00 63.21 H new ATOM 0 HG23 ILE A 69 8.848 1.421 -5.746 1.00 63.21 H new ATOM 0 HD11 ILE A 69 6.109 -1.541 -2.886 1.00 12.03 H new ATOM 0 HD12 ILE A 69 6.792 -2.455 -4.252 1.00 12.03 H new ATOM 0 HD13 ILE A 69 7.764 -2.186 -2.786 1.00 12.03 H new ATOM 1166 N ASP A 70 10.746 -1.776 -7.328 1.00 25.00 N ATOM 1167 CA ASP A 70 11.829 -1.619 -8.314 1.00 62.53 C ATOM 1168 C ASP A 70 11.312 -1.873 -9.746 1.00 71.20 C ATOM 1169 O ASP A 70 11.593 -1.091 -10.667 1.00 70.44 O ATOM 1170 CB ASP A 70 13.002 -2.580 -7.969 1.00 73.24 C ATOM 1171 CG ASP A 70 14.177 -2.483 -8.959 1.00 63.33 C ATOM 1172 OD1 ASP A 70 15.015 -1.561 -8.824 1.00 72.22 O ATOM 1173 OD2 ASP A 70 14.272 -3.322 -9.880 1.00 12.34 O ATOM 0 H ASP A 70 10.931 -2.499 -6.632 1.00 25.00 H new ATOM 0 HA ASP A 70 12.194 -0.593 -8.272 1.00 62.53 H new ATOM 0 HB2 ASP A 70 13.362 -2.357 -6.965 1.00 73.24 H new ATOM 0 HB3 ASP A 70 12.631 -3.605 -7.955 1.00 73.24 H new ATOM 1178 N LYS A 71 10.527 -2.960 -9.912 1.00 13.14 N ATOM 1179 CA LYS A 71 9.956 -3.328 -11.221 1.00 41.02 C ATOM 1180 C LYS A 71 8.786 -2.397 -11.594 1.00 11.01 C ATOM 1181 O LYS A 71 8.525 -2.209 -12.772 1.00 55.01 O ATOM 1182 CB LYS A 71 9.557 -4.846 -11.289 1.00 1.01 C ATOM 1183 CG LYS A 71 8.403 -5.327 -10.357 1.00 14.02 C ATOM 1184 CD LYS A 71 6.965 -5.195 -10.954 1.00 55.03 C ATOM 1185 CE LYS A 71 6.603 -6.284 -11.994 1.00 33.11 C ATOM 1186 NZ LYS A 71 7.459 -6.243 -13.216 1.00 34.50 N ATOM 0 H LYS A 71 10.276 -3.596 -9.155 1.00 13.14 H new ATOM 0 HA LYS A 71 10.735 -3.188 -11.970 1.00 41.02 H new ATOM 0 HB2 LYS A 71 9.277 -5.075 -12.317 1.00 1.01 H new ATOM 0 HB3 LYS A 71 10.443 -5.438 -11.061 1.00 1.01 H new ATOM 0 HG2 LYS A 71 8.577 -6.372 -10.099 1.00 14.02 H new ATOM 0 HG3 LYS A 71 8.447 -4.758 -9.428 1.00 14.02 H new ATOM 0 HD2 LYS A 71 6.242 -5.232 -10.140 1.00 55.03 H new ATOM 0 HD3 LYS A 71 6.867 -4.216 -11.422 1.00 55.03 H new ATOM 0 HE2 LYS A 71 6.694 -7.265 -11.528 1.00 33.11 H new ATOM 0 HE3 LYS A 71 5.560 -6.165 -12.286 1.00 33.11 H new ATOM 0 HZ1 LYS A 71 6.986 -6.754 -13.989 1.00 34.50 H new ATOM 0 HZ2 LYS A 71 7.614 -5.254 -13.499 1.00 34.50 H new ATOM 0 HZ3 LYS A 71 8.375 -6.692 -13.014 1.00 34.50 H new ATOM 1200 N ILE A 72 8.092 -1.811 -10.583 1.00 24.13 N ATOM 1201 CA ILE A 72 7.008 -0.811 -10.819 1.00 22.12 C ATOM 1202 C ILE A 72 7.570 0.488 -11.429 1.00 73.34 C ATOM 1203 O ILE A 72 6.920 1.116 -12.272 1.00 65.51 O ATOM 1204 CB ILE A 72 6.174 -0.513 -9.501 1.00 63.24 C ATOM 1205 CG1 ILE A 72 5.208 -1.692 -9.177 1.00 51.24 C ATOM 1206 CG2 ILE A 72 5.393 0.827 -9.559 1.00 22.13 C ATOM 1207 CD1 ILE A 72 4.121 -1.951 -10.207 1.00 40.22 C ATOM 0 H ILE A 72 8.261 -2.011 -9.597 1.00 24.13 H new ATOM 0 HA ILE A 72 6.319 -1.251 -11.541 1.00 22.12 H new ATOM 0 HB ILE A 72 6.903 -0.414 -8.697 1.00 63.24 H new ATOM 0 HG12 ILE A 72 5.798 -2.601 -9.062 1.00 51.24 H new ATOM 0 HG13 ILE A 72 4.733 -1.496 -8.216 1.00 51.24 H new ATOM 0 HG21 ILE A 72 4.845 0.969 -8.628 1.00 22.13 H new ATOM 0 HG22 ILE A 72 6.093 1.651 -9.697 1.00 22.13 H new ATOM 0 HG23 ILE A 72 4.691 0.803 -10.393 1.00 22.13 H new ATOM 0 HD11 ILE A 72 3.506 -2.791 -9.884 1.00 40.22 H new ATOM 0 HD12 ILE A 72 3.497 -1.063 -10.309 1.00 40.22 H new ATOM 0 HD13 ILE A 72 4.579 -2.185 -11.168 1.00 40.22 H new ATOM 1219 N LYS A 73 8.793 0.870 -11.017 1.00 4.05 N ATOM 1220 CA LYS A 73 9.512 2.010 -11.615 1.00 15.32 C ATOM 1221 C LYS A 73 9.818 1.749 -13.108 1.00 70.32 C ATOM 1222 O LYS A 73 9.955 2.689 -13.894 1.00 41.33 O ATOM 1223 CB LYS A 73 10.819 2.274 -10.835 1.00 73.14 C ATOM 1224 CG LYS A 73 10.611 2.596 -9.338 1.00 4.14 C ATOM 1225 CD LYS A 73 11.946 2.813 -8.595 1.00 51.44 C ATOM 1226 CE LYS A 73 12.743 4.004 -9.151 1.00 41.13 C ATOM 1227 NZ LYS A 73 14.043 4.177 -8.449 1.00 73.13 N ATOM 0 H LYS A 73 9.306 0.403 -10.269 1.00 4.05 H new ATOM 0 HA LYS A 73 8.875 2.892 -11.552 1.00 15.32 H new ATOM 0 HB2 LYS A 73 11.463 1.399 -10.920 1.00 73.14 H new ATOM 0 HB3 LYS A 73 11.347 3.105 -11.304 1.00 73.14 H new ATOM 0 HG2 LYS A 73 9.995 3.490 -9.243 1.00 4.14 H new ATOM 0 HG3 LYS A 73 10.063 1.780 -8.866 1.00 4.14 H new ATOM 0 HD2 LYS A 73 11.746 2.976 -7.536 1.00 51.44 H new ATOM 0 HD3 LYS A 73 12.551 1.909 -8.669 1.00 51.44 H new ATOM 0 HE2 LYS A 73 12.922 3.856 -10.216 1.00 41.13 H new ATOM 0 HE3 LYS A 73 12.152 4.915 -9.051 1.00 41.13 H new ATOM 0 HZ1 LYS A 73 14.550 4.990 -8.853 1.00 73.13 H new ATOM 0 HZ2 LYS A 73 13.871 4.344 -7.437 1.00 73.13 H new ATOM 0 HZ3 LYS A 73 14.618 3.318 -8.566 1.00 73.13 H new ATOM 1241 N LYS A 74 9.929 0.457 -13.473 1.00 52.42 N ATOM 1242 CA LYS A 74 10.132 0.015 -14.863 1.00 64.25 C ATOM 1243 C LYS A 74 8.780 -0.013 -15.618 1.00 24.10 C ATOM 1244 O LYS A 74 8.721 0.341 -16.806 1.00 64.45 O ATOM 1245 CB LYS A 74 10.814 -1.386 -14.880 1.00 34.12 C ATOM 1246 CG LYS A 74 11.021 -1.994 -16.284 1.00 42.30 C ATOM 1247 CD LYS A 74 11.636 -3.413 -16.253 1.00 54.03 C ATOM 1248 CE LYS A 74 11.703 -4.045 -17.653 1.00 44.23 C ATOM 1249 NZ LYS A 74 12.224 -5.438 -17.607 1.00 12.40 N ATOM 0 H LYS A 74 9.880 -0.313 -12.806 1.00 52.42 H new ATOM 0 HA LYS A 74 10.788 0.721 -15.373 1.00 64.25 H new ATOM 0 HB2 LYS A 74 11.783 -1.307 -14.388 1.00 34.12 H new ATOM 0 HB3 LYS A 74 10.211 -2.074 -14.288 1.00 34.12 H new ATOM 0 HG2 LYS A 74 10.062 -2.033 -16.800 1.00 42.30 H new ATOM 0 HG3 LYS A 74 11.669 -1.337 -16.864 1.00 42.30 H new ATOM 0 HD2 LYS A 74 12.639 -3.364 -15.830 1.00 54.03 H new ATOM 0 HD3 LYS A 74 11.044 -4.050 -15.596 1.00 54.03 H new ATOM 0 HE2 LYS A 74 10.709 -4.043 -18.100 1.00 44.23 H new ATOM 0 HE3 LYS A 74 12.342 -3.439 -18.295 1.00 44.23 H new ATOM 0 HZ1 LYS A 74 12.254 -5.829 -18.570 1.00 12.40 H new ATOM 0 HZ2 LYS A 74 13.183 -5.437 -17.204 1.00 12.40 H new ATOM 0 HZ3 LYS A 74 11.600 -6.023 -17.015 1.00 12.40 H new ATOM 1263 N GLU A 75 7.694 -0.424 -14.912 1.00 53.24 N ATOM 1264 CA GLU A 75 6.336 -0.502 -15.501 1.00 21.43 C ATOM 1265 C GLU A 75 5.848 0.902 -15.894 1.00 62.25 C ATOM 1266 O GLU A 75 5.411 1.136 -17.025 1.00 30.41 O ATOM 1267 CB GLU A 75 5.293 -1.142 -14.520 1.00 41.50 C ATOM 1268 CG GLU A 75 5.661 -2.523 -13.935 1.00 25.11 C ATOM 1269 CD GLU A 75 6.147 -3.539 -14.980 1.00 64.23 C ATOM 1270 OE1 GLU A 75 5.309 -4.078 -15.733 1.00 13.44 O ATOM 1271 OE2 GLU A 75 7.366 -3.815 -15.043 1.00 54.41 O ATOM 0 H GLU A 75 7.736 -0.706 -13.933 1.00 53.24 H new ATOM 0 HA GLU A 75 6.412 -1.141 -16.381 1.00 21.43 H new ATOM 0 HB2 GLU A 75 5.134 -0.451 -13.692 1.00 41.50 H new ATOM 0 HB3 GLU A 75 4.342 -1.235 -15.045 1.00 41.50 H new ATOM 0 HG2 GLU A 75 6.439 -2.391 -13.183 1.00 25.11 H new ATOM 0 HG3 GLU A 75 4.790 -2.933 -13.424 1.00 25.11 H new ATOM 1278 N ARG A 76 5.931 1.824 -14.921 1.00 32.24 N ATOM 1279 CA ARG A 76 5.446 3.203 -15.045 1.00 65.31 C ATOM 1280 C ARG A 76 6.498 4.155 -14.418 1.00 12.10 C ATOM 1281 O ARG A 76 6.447 4.420 -13.214 1.00 72.14 O ATOM 1282 CB ARG A 76 4.069 3.362 -14.320 1.00 75.32 C ATOM 1283 CG ARG A 76 2.979 2.337 -14.716 1.00 61.14 C ATOM 1284 CD ARG A 76 1.725 2.440 -13.834 1.00 74.42 C ATOM 1285 NE ARG A 76 0.778 1.335 -14.073 1.00 4.34 N ATOM 1286 CZ ARG A 76 -0.375 1.148 -13.397 1.00 71.33 C ATOM 1287 NH1 ARG A 76 -0.752 1.997 -12.442 1.00 11.31 N ATOM 1288 NH2 ARG A 76 -1.138 0.109 -13.685 1.00 53.32 N ATOM 0 H ARG A 76 6.345 1.625 -14.010 1.00 32.24 H new ATOM 0 HA ARG A 76 5.304 3.451 -16.097 1.00 65.31 H new ATOM 0 HB2 ARG A 76 4.235 3.291 -13.245 1.00 75.32 H new ATOM 0 HB3 ARG A 76 3.689 4.364 -14.518 1.00 75.32 H new ATOM 0 HG2 ARG A 76 2.700 2.493 -15.758 1.00 61.14 H new ATOM 0 HG3 ARG A 76 3.389 1.330 -14.643 1.00 61.14 H new ATOM 0 HD2 ARG A 76 2.021 2.441 -12.785 1.00 74.42 H new ATOM 0 HD3 ARG A 76 1.226 3.390 -14.025 1.00 74.42 H new ATOM 0 HE ARG A 76 1.012 0.662 -14.803 1.00 4.34 H new ATOM 0 HH11 ARG A 76 -0.167 2.801 -12.214 1.00 11.31 H new ATOM 0 HH12 ARG A 76 -1.626 1.843 -11.939 1.00 11.31 H new ATOM 0 HH21 ARG A 76 -0.854 -0.546 -14.414 1.00 53.32 H new ATOM 0 HH22 ARG A 76 -2.011 -0.039 -13.178 1.00 53.32 H new ATOM 1302 N PRO A 77 7.516 4.640 -15.208 1.00 20.44 N ATOM 1303 CA PRO A 77 8.472 5.687 -14.738 1.00 35.14 C ATOM 1304 C PRO A 77 7.811 7.074 -14.497 1.00 33.21 C ATOM 1305 O PRO A 77 8.467 7.999 -13.993 1.00 45.33 O ATOM 1306 CB PRO A 77 9.526 5.762 -15.882 1.00 64.01 C ATOM 1307 CG PRO A 77 9.336 4.508 -16.692 1.00 25.00 C ATOM 1308 CD PRO A 77 7.867 4.160 -16.574 1.00 24.50 C ATOM 0 HA PRO A 77 8.894 5.427 -13.767 1.00 35.14 H new ATOM 0 HB2 PRO A 77 9.376 6.651 -16.495 1.00 64.01 H new ATOM 0 HB3 PRO A 77 10.537 5.819 -15.480 1.00 64.01 H new ATOM 0 HG2 PRO A 77 9.618 4.668 -17.733 1.00 25.00 H new ATOM 0 HG3 PRO A 77 9.961 3.699 -16.313 1.00 25.00 H new ATOM 0 HD2 PRO A 77 7.272 4.656 -17.341 1.00 24.50 H new ATOM 0 HD3 PRO A 77 7.696 3.089 -16.681 1.00 24.50 H new ATOM 1316 N GLN A 78 6.524 7.211 -14.888 1.00 30.44 N ATOM 1317 CA GLN A 78 5.746 8.470 -14.756 1.00 63.15 C ATOM 1318 C GLN A 78 5.506 8.898 -13.291 1.00 30.44 C ATOM 1319 O GLN A 78 5.366 10.094 -13.008 1.00 22.42 O ATOM 1320 CB GLN A 78 4.366 8.325 -15.461 1.00 32.10 C ATOM 1321 CG GLN A 78 3.476 7.189 -14.899 1.00 20.01 C ATOM 1322 CD GLN A 78 2.034 7.165 -15.424 1.00 32.34 C ATOM 1323 OE1 GLN A 78 1.121 6.723 -14.718 1.00 53.13 O ATOM 1324 NE2 GLN A 78 1.806 7.619 -16.648 1.00 64.34 N ATOM 0 H GLN A 78 5.990 6.449 -15.307 1.00 30.44 H new ATOM 0 HA GLN A 78 6.350 9.244 -15.230 1.00 63.15 H new ATOM 0 HB2 GLN A 78 3.827 9.268 -15.375 1.00 32.10 H new ATOM 0 HB3 GLN A 78 4.532 8.148 -16.524 1.00 32.10 H new ATOM 0 HG2 GLN A 78 3.946 6.233 -15.131 1.00 20.01 H new ATOM 0 HG3 GLN A 78 3.448 7.275 -13.813 1.00 20.01 H new ATOM 0 HE21 GLN A 78 2.577 7.979 -17.210 1.00 64.34 H new ATOM 0 HE22 GLN A 78 0.859 7.609 -17.028 1.00 64.34 H new ATOM 1333 N LEU A 79 5.463 7.926 -12.362 1.00 22.10 N ATOM 1334 CA LEU A 79 4.925 8.151 -11.000 1.00 71.45 C ATOM 1335 C LEU A 79 5.990 8.050 -9.896 1.00 41.24 C ATOM 1336 O LEU A 79 7.040 7.414 -10.069 1.00 10.11 O ATOM 1337 CB LEU A 79 3.719 7.184 -10.738 1.00 54.24 C ATOM 1338 CG LEU A 79 3.851 5.698 -11.228 1.00 33.11 C ATOM 1339 CD1 LEU A 79 4.849 4.872 -10.395 1.00 15.12 C ATOM 1340 CD2 LEU A 79 2.469 5.010 -11.277 1.00 24.53 C ATOM 0 H LEU A 79 5.794 6.975 -12.526 1.00 22.10 H new ATOM 0 HA LEU A 79 4.571 9.181 -10.958 1.00 71.45 H new ATOM 0 HB2 LEU A 79 3.531 7.167 -9.665 1.00 54.24 H new ATOM 0 HB3 LEU A 79 2.836 7.615 -11.210 1.00 54.24 H new ATOM 0 HG LEU A 79 4.258 5.742 -12.238 1.00 33.11 H new ATOM 0 HD11 LEU A 79 4.894 3.855 -10.785 1.00 15.12 H new ATOM 0 HD12 LEU A 79 5.837 5.328 -10.455 1.00 15.12 H new ATOM 0 HD13 LEU A 79 4.523 4.848 -9.355 1.00 15.12 H new ATOM 0 HD21 LEU A 79 2.586 3.982 -11.619 1.00 24.53 H new ATOM 0 HD22 LEU A 79 2.026 5.013 -10.281 1.00 24.53 H new ATOM 0 HD23 LEU A 79 1.818 5.549 -11.965 1.00 24.53 H new ATOM 1352 N GLU A 80 5.695 8.732 -8.776 1.00 70.43 N ATOM 1353 CA GLU A 80 6.434 8.597 -7.515 1.00 51.23 C ATOM 1354 C GLU A 80 5.944 7.326 -6.795 1.00 62.24 C ATOM 1355 O GLU A 80 4.760 6.975 -6.906 1.00 2.25 O ATOM 1356 CB GLU A 80 6.189 9.839 -6.609 1.00 73.21 C ATOM 1357 CG GLU A 80 6.560 11.198 -7.235 1.00 4.22 C ATOM 1358 CD GLU A 80 6.188 12.424 -6.369 1.00 13.10 C ATOM 1359 OE1 GLU A 80 6.222 12.331 -5.127 1.00 51.51 O ATOM 1360 OE2 GLU A 80 5.882 13.500 -6.929 1.00 71.22 O ATOM 0 H GLU A 80 4.926 9.400 -8.723 1.00 70.43 H new ATOM 0 HA GLU A 80 7.502 8.526 -7.722 1.00 51.23 H new ATOM 0 HB2 GLU A 80 5.135 9.862 -6.330 1.00 73.21 H new ATOM 0 HB3 GLU A 80 6.759 9.714 -5.689 1.00 73.21 H new ATOM 0 HG2 GLU A 80 7.633 11.215 -7.426 1.00 4.22 H new ATOM 0 HG3 GLU A 80 6.063 11.287 -8.201 1.00 4.22 H new ATOM 1367 N VAL A 81 6.845 6.654 -6.059 1.00 64.13 N ATOM 1368 CA VAL A 81 6.520 5.431 -5.301 1.00 34.10 C ATOM 1369 C VAL A 81 7.051 5.571 -3.861 1.00 13.44 C ATOM 1370 O VAL A 81 8.249 5.805 -3.657 1.00 64.34 O ATOM 1371 CB VAL A 81 7.135 4.117 -5.940 1.00 72.44 C ATOM 1372 CG1 VAL A 81 6.513 2.865 -5.284 1.00 5.35 C ATOM 1373 CG2 VAL A 81 6.989 4.077 -7.483 1.00 42.23 C ATOM 0 H VAL A 81 7.820 6.942 -5.972 1.00 64.13 H new ATOM 0 HA VAL A 81 5.435 5.327 -5.321 1.00 34.10 H new ATOM 0 HB VAL A 81 8.206 4.126 -5.737 1.00 72.44 H new ATOM 0 HG11 VAL A 81 6.943 1.969 -5.731 1.00 5.35 H new ATOM 0 HG12 VAL A 81 6.722 2.873 -4.214 1.00 5.35 H new ATOM 0 HG13 VAL A 81 5.435 2.868 -5.443 1.00 5.35 H new ATOM 0 HG21 VAL A 81 7.427 3.156 -7.866 1.00 42.23 H new ATOM 0 HG22 VAL A 81 5.933 4.115 -7.750 1.00 42.23 H new ATOM 0 HG23 VAL A 81 7.504 4.933 -7.920 1.00 42.23 H new ATOM 1383 N ARG A 82 6.151 5.442 -2.875 1.00 64.34 N ATOM 1384 CA ARG A 82 6.513 5.398 -1.449 1.00 44.21 C ATOM 1385 C ARG A 82 6.200 3.997 -0.902 1.00 3.44 C ATOM 1386 O ARG A 82 5.151 3.440 -1.219 1.00 1.14 O ATOM 1387 CB ARG A 82 5.714 6.468 -0.651 1.00 64.53 C ATOM 1388 CG ARG A 82 6.037 6.523 0.865 1.00 41.20 C ATOM 1389 CD ARG A 82 7.494 6.937 1.149 1.00 54.33 C ATOM 1390 NE ARG A 82 7.853 6.836 2.577 1.00 12.30 N ATOM 1391 CZ ARG A 82 8.488 7.789 3.283 1.00 51.02 C ATOM 1392 NH1 ARG A 82 8.839 8.942 2.718 1.00 63.32 N ATOM 1393 NH2 ARG A 82 8.788 7.570 4.555 1.00 63.11 N ATOM 0 H ARG A 82 5.148 5.365 -3.044 1.00 64.34 H new ATOM 0 HA ARG A 82 7.576 5.612 -1.339 1.00 44.21 H new ATOM 0 HB2 ARG A 82 5.911 7.448 -1.086 1.00 64.53 H new ATOM 0 HB3 ARG A 82 4.649 6.273 -0.775 1.00 64.53 H new ATOM 0 HG2 ARG A 82 5.362 7.228 1.351 1.00 41.20 H new ATOM 0 HG3 ARG A 82 5.849 5.545 1.308 1.00 41.20 H new ATOM 0 HD2 ARG A 82 8.165 6.307 0.566 1.00 54.33 H new ATOM 0 HD3 ARG A 82 7.647 7.963 0.813 1.00 54.33 H new ATOM 0 HE ARG A 82 7.600 5.977 3.066 1.00 12.30 H new ATOM 0 HH11 ARG A 82 8.627 9.114 1.735 1.00 63.32 H new ATOM 0 HH12 ARG A 82 9.320 9.654 3.268 1.00 63.32 H new ATOM 0 HH21 ARG A 82 8.538 6.683 4.993 1.00 63.11 H new ATOM 0 HH22 ARG A 82 9.269 8.288 5.096 1.00 63.11 H new ATOM 1407 N LYS A 83 7.118 3.437 -0.099 1.00 71.04 N ATOM 1408 CA LYS A 83 6.877 2.193 0.649 1.00 11.55 C ATOM 1409 C LYS A 83 6.515 2.565 2.090 1.00 3.11 C ATOM 1410 O LYS A 83 7.315 3.190 2.784 1.00 44.43 O ATOM 1411 CB LYS A 83 8.121 1.260 0.629 1.00 22.23 C ATOM 1412 CG LYS A 83 8.526 0.778 -0.782 1.00 3.44 C ATOM 1413 CD LYS A 83 9.398 -0.499 -0.778 1.00 23.54 C ATOM 1414 CE LYS A 83 10.743 -0.327 -0.070 1.00 35.22 C ATOM 1415 NZ LYS A 83 11.612 0.681 -0.741 1.00 42.41 N ATOM 0 H LYS A 83 8.046 3.833 0.050 1.00 71.04 H new ATOM 0 HA LYS A 83 6.061 1.645 0.178 1.00 11.55 H new ATOM 0 HB2 LYS A 83 8.964 1.786 1.077 1.00 22.23 H new ATOM 0 HB3 LYS A 83 7.919 0.390 1.254 1.00 22.23 H new ATOM 0 HG2 LYS A 83 7.624 0.589 -1.364 1.00 3.44 H new ATOM 0 HG3 LYS A 83 9.070 1.577 -1.287 1.00 3.44 H new ATOM 0 HD2 LYS A 83 8.844 -1.304 -0.295 1.00 23.54 H new ATOM 0 HD3 LYS A 83 9.577 -0.808 -1.808 1.00 23.54 H new ATOM 0 HE2 LYS A 83 10.571 -0.025 0.963 1.00 35.22 H new ATOM 0 HE3 LYS A 83 11.260 -1.286 -0.040 1.00 35.22 H new ATOM 0 HZ1 LYS A 83 12.537 0.713 -0.266 1.00 42.41 H new ATOM 0 HZ2 LYS A 83 11.744 0.417 -1.738 1.00 42.41 H new ATOM 0 HZ3 LYS A 83 11.162 1.617 -0.688 1.00 42.41 H new ATOM 1429 N VAL A 84 5.293 2.215 2.510 1.00 73.24 N ATOM 1430 CA VAL A 84 4.786 2.505 3.859 1.00 13.32 C ATOM 1431 C VAL A 84 4.687 1.190 4.651 1.00 52.45 C ATOM 1432 O VAL A 84 3.690 0.468 4.567 1.00 74.02 O ATOM 1433 CB VAL A 84 3.392 3.230 3.786 1.00 53.31 C ATOM 1434 CG1 VAL A 84 2.788 3.474 5.186 1.00 43.13 C ATOM 1435 CG2 VAL A 84 3.499 4.544 2.973 1.00 24.34 C ATOM 0 H VAL A 84 4.624 1.720 1.921 1.00 73.24 H new ATOM 0 HA VAL A 84 5.475 3.178 4.370 1.00 13.32 H new ATOM 0 HB VAL A 84 2.704 2.565 3.264 1.00 53.31 H new ATOM 0 HG11 VAL A 84 1.826 3.977 5.085 1.00 43.13 H new ATOM 0 HG12 VAL A 84 2.647 2.519 5.693 1.00 43.13 H new ATOM 0 HG13 VAL A 84 3.464 4.098 5.770 1.00 43.13 H new ATOM 0 HG21 VAL A 84 2.524 5.029 2.935 1.00 24.34 H new ATOM 0 HG22 VAL A 84 4.217 5.210 3.451 1.00 24.34 H new ATOM 0 HG23 VAL A 84 3.832 4.319 1.960 1.00 24.34 H new ATOM 1445 N THR A 85 5.759 0.872 5.379 1.00 64.11 N ATOM 1446 CA THR A 85 5.850 -0.345 6.199 1.00 20.24 C ATOM 1447 C THR A 85 5.281 -0.112 7.616 1.00 42.44 C ATOM 1448 O THR A 85 4.993 -1.069 8.347 1.00 24.21 O ATOM 1449 CB THR A 85 7.335 -0.806 6.286 1.00 42.05 C ATOM 1450 OG1 THR A 85 8.162 0.307 6.683 1.00 43.22 O ATOM 1451 CG2 THR A 85 7.847 -1.365 4.943 1.00 50.43 C ATOM 0 H THR A 85 6.596 1.454 5.419 1.00 64.11 H new ATOM 0 HA THR A 85 5.253 -1.124 5.725 1.00 20.24 H new ATOM 0 HB THR A 85 7.390 -1.606 7.025 1.00 42.05 H new ATOM 0 HG1 THR A 85 9.096 0.017 6.739 1.00 43.22 H new ATOM 0 HG21 THR A 85 8.887 -1.674 5.050 1.00 50.43 H new ATOM 0 HG22 THR A 85 7.241 -2.223 4.652 1.00 50.43 H new ATOM 0 HG23 THR A 85 7.775 -0.593 4.177 1.00 50.43 H new ATOM 1459 N ASP A 86 5.123 1.170 7.988 1.00 12.34 N ATOM 1460 CA ASP A 86 4.597 1.581 9.305 1.00 33.54 C ATOM 1461 C ASP A 86 3.607 2.748 9.144 1.00 61.12 C ATOM 1462 O ASP A 86 3.755 3.567 8.229 1.00 54.34 O ATOM 1463 CB ASP A 86 5.763 1.976 10.253 1.00 74.41 C ATOM 1464 CG ASP A 86 5.323 2.161 11.723 1.00 53.51 C ATOM 1465 OD1 ASP A 86 5.305 1.170 12.476 1.00 44.00 O ATOM 1466 OD2 ASP A 86 4.994 3.290 12.128 1.00 12.23 O ATOM 0 H ASP A 86 5.357 1.956 7.381 1.00 12.34 H new ATOM 0 HA ASP A 86 4.066 0.739 9.748 1.00 33.54 H new ATOM 0 HB2 ASP A 86 6.535 1.208 10.207 1.00 74.41 H new ATOM 0 HB3 ASP A 86 6.213 2.903 9.897 1.00 74.41 H new ATOM 1471 N GLU A 87 2.618 2.804 10.064 1.00 45.31 N ATOM 1472 CA GLU A 87 1.548 3.831 10.104 1.00 43.04 C ATOM 1473 C GLU A 87 2.109 5.270 10.076 1.00 23.01 C ATOM 1474 O GLU A 87 1.521 6.151 9.443 1.00 21.11 O ATOM 1475 CB GLU A 87 0.704 3.627 11.387 1.00 50.51 C ATOM 1476 CG GLU A 87 -0.436 4.654 11.602 1.00 53.50 C ATOM 1477 CD GLU A 87 -0.901 4.727 13.062 1.00 10.25 C ATOM 1478 OE1 GLU A 87 -0.169 5.315 13.886 1.00 74.32 O ATOM 1479 OE2 GLU A 87 -1.979 4.203 13.400 1.00 44.21 O ATOM 0 H GLU A 87 2.538 2.121 10.818 1.00 45.31 H new ATOM 0 HA GLU A 87 0.933 3.708 9.212 1.00 43.04 H new ATOM 0 HB2 GLU A 87 0.270 2.628 11.361 1.00 50.51 H new ATOM 0 HB3 GLU A 87 1.370 3.663 12.249 1.00 50.51 H new ATOM 0 HG2 GLU A 87 -0.096 5.640 11.284 1.00 53.50 H new ATOM 0 HG3 GLU A 87 -1.282 4.389 10.968 1.00 53.50 H new ATOM 1486 N ASP A 88 3.259 5.472 10.760 1.00 12.41 N ATOM 1487 CA ASP A 88 3.968 6.773 10.849 1.00 42.51 C ATOM 1488 C ASP A 88 4.166 7.420 9.463 1.00 22.24 C ATOM 1489 O ASP A 88 3.860 8.598 9.275 1.00 63.42 O ATOM 1490 CB ASP A 88 5.338 6.557 11.558 1.00 63.01 C ATOM 1491 CG ASP A 88 6.293 7.768 11.485 1.00 31.23 C ATOM 1492 OD1 ASP A 88 6.053 8.775 12.184 1.00 4.23 O ATOM 1493 OD2 ASP A 88 7.307 7.705 10.749 1.00 32.52 O ATOM 0 H ASP A 88 3.728 4.726 11.273 1.00 12.41 H new ATOM 0 HA ASP A 88 3.355 7.461 11.431 1.00 42.51 H new ATOM 0 HB2 ASP A 88 5.157 6.315 12.605 1.00 63.01 H new ATOM 0 HB3 ASP A 88 5.832 5.693 11.112 1.00 63.01 H new ATOM 1498 N GLN A 89 4.619 6.607 8.493 1.00 53.32 N ATOM 1499 CA GLN A 89 4.913 7.072 7.123 1.00 35.45 C ATOM 1500 C GLN A 89 3.623 7.448 6.374 1.00 21.14 C ATOM 1501 O GLN A 89 3.625 8.384 5.571 1.00 41.12 O ATOM 1502 CB GLN A 89 5.697 5.998 6.330 1.00 25.13 C ATOM 1503 CG GLN A 89 6.975 5.512 7.041 1.00 45.13 C ATOM 1504 CD GLN A 89 7.841 4.588 6.194 1.00 4.40 C ATOM 1505 OE1 GLN A 89 7.904 4.726 4.974 1.00 41.23 O ATOM 1506 NE2 GLN A 89 8.516 3.648 6.833 1.00 3.33 N ATOM 0 H GLN A 89 4.792 5.612 8.634 1.00 53.32 H new ATOM 0 HA GLN A 89 5.533 7.964 7.206 1.00 35.45 H new ATOM 0 HB2 GLN A 89 5.045 5.143 6.150 1.00 25.13 H new ATOM 0 HB3 GLN A 89 5.966 6.404 5.355 1.00 25.13 H new ATOM 0 HG2 GLN A 89 7.567 6.379 7.336 1.00 45.13 H new ATOM 0 HG3 GLN A 89 6.694 4.992 7.957 1.00 45.13 H new ATOM 0 HE21 GLN A 89 8.439 3.564 7.847 1.00 3.33 H new ATOM 0 HE22 GLN A 89 9.114 3.007 6.312 1.00 3.33 H new ATOM 1515 N ALA A 90 2.526 6.711 6.661 1.00 53.12 N ATOM 1516 CA ALA A 90 1.195 6.990 6.080 1.00 40.34 C ATOM 1517 C ALA A 90 0.639 8.335 6.592 1.00 62.00 C ATOM 1518 O ALA A 90 -0.007 9.070 5.842 1.00 73.22 O ATOM 1519 CB ALA A 90 0.216 5.844 6.386 1.00 54.32 C ATOM 0 H ALA A 90 2.538 5.913 7.296 1.00 53.12 H new ATOM 0 HA ALA A 90 1.308 7.063 4.998 1.00 40.34 H new ATOM 0 HB1 ALA A 90 -0.757 6.070 5.949 1.00 54.32 H new ATOM 0 HB2 ALA A 90 0.598 4.916 5.961 1.00 54.32 H new ATOM 0 HB3 ALA A 90 0.112 5.733 7.465 1.00 54.32 H new ATOM 1525 N LYS A 91 0.934 8.645 7.867 1.00 51.41 N ATOM 1526 CA LYS A 91 0.541 9.912 8.517 1.00 12.11 C ATOM 1527 C LYS A 91 1.341 11.104 7.940 1.00 52.22 C ATOM 1528 O LYS A 91 0.794 12.197 7.752 1.00 21.31 O ATOM 1529 CB LYS A 91 0.773 9.812 10.053 1.00 61.44 C ATOM 1530 CG LYS A 91 -0.025 8.684 10.754 1.00 62.02 C ATOM 1531 CD LYS A 91 0.403 8.455 12.228 1.00 65.54 C ATOM 1532 CE LYS A 91 0.152 9.664 13.136 1.00 24.31 C ATOM 1533 NZ LYS A 91 0.605 9.413 14.532 1.00 54.04 N ATOM 0 H LYS A 91 1.456 8.020 8.481 1.00 51.41 H new ATOM 0 HA LYS A 91 -0.517 10.084 8.320 1.00 12.11 H new ATOM 0 HB2 LYS A 91 1.836 9.656 10.237 1.00 61.44 H new ATOM 0 HB3 LYS A 91 0.507 10.765 10.510 1.00 61.44 H new ATOM 0 HG2 LYS A 91 -1.087 8.928 10.725 1.00 62.02 H new ATOM 0 HG3 LYS A 91 0.105 7.756 10.197 1.00 62.02 H new ATOM 0 HD2 LYS A 91 -0.137 7.595 12.625 1.00 65.54 H new ATOM 0 HD3 LYS A 91 1.464 8.205 12.255 1.00 65.54 H new ATOM 0 HE2 LYS A 91 0.674 10.533 12.736 1.00 24.31 H new ATOM 0 HE3 LYS A 91 -0.911 9.903 13.137 1.00 24.31 H new ATOM 0 HZ1 LYS A 91 0.418 10.254 15.114 1.00 54.04 H new ATOM 0 HZ2 LYS A 91 0.089 8.599 14.923 1.00 54.04 H new ATOM 0 HZ3 LYS A 91 1.625 9.210 14.535 1.00 54.04 H new ATOM 1547 N GLN A 92 2.635 10.873 7.655 1.00 51.33 N ATOM 1548 CA GLN A 92 3.551 11.929 7.189 1.00 21.43 C ATOM 1549 C GLN A 92 3.325 12.255 5.701 1.00 55.22 C ATOM 1550 O GLN A 92 3.488 13.403 5.295 1.00 31.21 O ATOM 1551 CB GLN A 92 5.028 11.526 7.429 1.00 53.21 C ATOM 1552 CG GLN A 92 5.414 11.291 8.905 1.00 11.22 C ATOM 1553 CD GLN A 92 5.245 12.500 9.832 1.00 24.24 C ATOM 1554 OE1 GLN A 92 4.951 12.350 11.020 1.00 34.44 O ATOM 1555 NE2 GLN A 92 5.489 13.703 9.337 1.00 13.22 N ATOM 0 H GLN A 92 3.073 9.956 7.740 1.00 51.33 H new ATOM 0 HA GLN A 92 3.334 12.826 7.769 1.00 21.43 H new ATOM 0 HB2 GLN A 92 5.235 10.616 6.867 1.00 53.21 H new ATOM 0 HB3 GLN A 92 5.671 12.306 7.022 1.00 53.21 H new ATOM 0 HG2 GLN A 92 4.811 10.470 9.294 1.00 11.22 H new ATOM 0 HG3 GLN A 92 6.454 10.968 8.943 1.00 11.22 H new ATOM 0 HE21 GLN A 92 5.731 13.810 8.352 1.00 13.22 H new ATOM 0 HE22 GLN A 92 5.435 14.523 9.941 1.00 13.22 H new ATOM 1564 N ILE A 93 2.988 11.247 4.875 1.00 45.54 N ATOM 1565 CA ILE A 93 2.685 11.489 3.444 1.00 14.32 C ATOM 1566 C ILE A 93 1.325 12.193 3.247 1.00 25.02 C ATOM 1567 O ILE A 93 1.122 12.843 2.223 1.00 60.04 O ATOM 1568 CB ILE A 93 2.768 10.190 2.569 1.00 41.31 C ATOM 1569 CG1 ILE A 93 1.747 9.132 3.062 1.00 44.32 C ATOM 1570 CG2 ILE A 93 4.217 9.638 2.549 1.00 13.11 C ATOM 1571 CD1 ILE A 93 1.849 7.786 2.385 1.00 43.32 C ATOM 0 H ILE A 93 2.918 10.271 5.163 1.00 45.54 H new ATOM 0 HA ILE A 93 3.468 12.161 3.093 1.00 14.32 H new ATOM 0 HB ILE A 93 2.502 10.440 1.542 1.00 41.31 H new ATOM 0 HG12 ILE A 93 1.879 8.994 4.135 1.00 44.32 H new ATOM 0 HG13 ILE A 93 0.740 9.522 2.912 1.00 44.32 H new ATOM 0 HG21 ILE A 93 4.255 8.737 1.937 1.00 13.11 H new ATOM 0 HG22 ILE A 93 4.887 10.389 2.130 1.00 13.11 H new ATOM 0 HG23 ILE A 93 4.530 9.399 3.566 1.00 13.11 H new ATOM 0 HD11 ILE A 93 1.096 7.114 2.796 1.00 43.32 H new ATOM 0 HD12 ILE A 93 1.685 7.904 1.314 1.00 43.32 H new ATOM 0 HD13 ILE A 93 2.841 7.367 2.556 1.00 43.32 H new ATOM 1583 N LEU A 94 0.402 12.067 4.232 1.00 64.01 N ATOM 1584 CA LEU A 94 -0.810 12.931 4.291 1.00 14.45 C ATOM 1585 C LEU A 94 -0.407 14.429 4.252 1.00 3.53 C ATOM 1586 O LEU A 94 -1.149 15.265 3.736 1.00 31.31 O ATOM 1587 CB LEU A 94 -1.667 12.647 5.563 1.00 42.15 C ATOM 1588 CG LEU A 94 -2.339 11.243 5.659 1.00 30.34 C ATOM 1589 CD1 LEU A 94 -3.016 11.050 7.035 1.00 31.23 C ATOM 1590 CD2 LEU A 94 -3.342 11.010 4.505 1.00 22.14 C ATOM 0 H LEU A 94 0.469 11.386 4.988 1.00 64.01 H new ATOM 0 HA LEU A 94 -1.419 12.695 3.418 1.00 14.45 H new ATOM 0 HB2 LEU A 94 -1.031 12.780 6.438 1.00 42.15 H new ATOM 0 HB3 LEU A 94 -2.450 13.403 5.621 1.00 42.15 H new ATOM 0 HG LEU A 94 -1.553 10.494 5.560 1.00 30.34 H new ATOM 0 HD11 LEU A 94 -3.478 10.064 7.078 1.00 31.23 H new ATOM 0 HD12 LEU A 94 -2.268 11.136 7.824 1.00 31.23 H new ATOM 0 HD13 LEU A 94 -3.780 11.815 7.175 1.00 31.23 H new ATOM 0 HD21 LEU A 94 -3.790 10.021 4.606 1.00 22.14 H new ATOM 0 HD22 LEU A 94 -4.124 11.768 4.544 1.00 22.14 H new ATOM 0 HD23 LEU A 94 -2.820 11.076 3.550 1.00 22.14 H new ATOM 1602 N GLU A 95 0.785 14.739 4.810 1.00 75.42 N ATOM 1603 CA GLU A 95 1.383 16.088 4.755 1.00 71.32 C ATOM 1604 C GLU A 95 2.036 16.329 3.375 1.00 33.34 C ATOM 1605 O GLU A 95 1.761 17.320 2.732 1.00 33.14 O ATOM 1606 CB GLU A 95 2.458 16.255 5.855 1.00 52.02 C ATOM 1607 CG GLU A 95 2.014 15.878 7.285 1.00 24.23 C ATOM 1608 CD GLU A 95 3.142 16.007 8.328 1.00 40.15 C ATOM 1609 OE1 GLU A 95 4.329 15.899 7.954 1.00 64.45 O ATOM 1610 OE2 GLU A 95 2.847 16.211 9.525 1.00 52.41 O ATOM 0 H GLU A 95 1.358 14.059 5.311 1.00 75.42 H new ATOM 0 HA GLU A 95 0.587 16.814 4.917 1.00 71.32 H new ATOM 0 HB2 GLU A 95 3.322 15.645 5.589 1.00 52.02 H new ATOM 0 HB3 GLU A 95 2.790 17.293 5.859 1.00 52.02 H new ATOM 0 HG2 GLU A 95 1.181 16.517 7.580 1.00 24.23 H new ATOM 0 HG3 GLU A 95 1.644 14.853 7.285 1.00 24.23 H new ATOM 1617 N ASP A 96 2.939 15.407 2.991 1.00 5.12 N ATOM 1618 CA ASP A 96 3.680 15.421 1.691 1.00 31.44 C ATOM 1619 C ASP A 96 2.798 15.772 0.460 1.00 1.12 C ATOM 1620 O ASP A 96 3.214 16.550 -0.411 1.00 12.54 O ATOM 1621 CB ASP A 96 4.375 14.046 1.469 1.00 35.23 C ATOM 1622 CG ASP A 96 5.027 13.874 0.078 1.00 1.52 C ATOM 1623 OD1 ASP A 96 6.160 14.351 -0.131 1.00 15.12 O ATOM 1624 OD2 ASP A 96 4.415 13.239 -0.809 1.00 2.41 O ATOM 0 H ASP A 96 3.187 14.611 3.579 1.00 5.12 H new ATOM 0 HA ASP A 96 4.418 16.220 1.770 1.00 31.44 H new ATOM 0 HB2 ASP A 96 5.140 13.912 2.234 1.00 35.23 H new ATOM 0 HB3 ASP A 96 3.640 13.254 1.612 1.00 35.23 H new ATOM 1629 N LEU A 97 1.591 15.186 0.402 1.00 52.41 N ATOM 1630 CA LEU A 97 0.621 15.407 -0.699 1.00 60.23 C ATOM 1631 C LEU A 97 0.085 16.871 -0.708 1.00 21.42 C ATOM 1632 O LEU A 97 -0.297 17.399 -1.763 1.00 11.50 O ATOM 1633 CB LEU A 97 -0.538 14.354 -0.598 1.00 32.05 C ATOM 1634 CG LEU A 97 -0.273 12.930 -1.238 1.00 73.04 C ATOM 1635 CD1 LEU A 97 1.093 12.335 -0.857 1.00 3.21 C ATOM 1636 CD2 LEU A 97 -1.396 11.941 -0.866 1.00 70.03 C ATOM 0 H LEU A 97 1.253 14.542 1.117 1.00 52.41 H new ATOM 0 HA LEU A 97 1.131 15.265 -1.652 1.00 60.23 H new ATOM 0 HB2 LEU A 97 -0.776 14.213 0.456 1.00 32.05 H new ATOM 0 HB3 LEU A 97 -1.424 14.778 -1.071 1.00 32.05 H new ATOM 0 HG LEU A 97 -0.264 13.086 -2.317 1.00 73.04 H new ATOM 0 HD11 LEU A 97 1.209 11.359 -1.329 1.00 3.21 H new ATOM 0 HD12 LEU A 97 1.887 13.000 -1.197 1.00 3.21 H new ATOM 0 HD13 LEU A 97 1.152 12.223 0.226 1.00 3.21 H new ATOM 0 HD21 LEU A 97 -1.191 10.971 -1.318 1.00 70.03 H new ATOM 0 HD22 LEU A 97 -1.443 11.834 0.218 1.00 70.03 H new ATOM 0 HD23 LEU A 97 -2.350 12.318 -1.235 1.00 70.03 H new ATOM 1648 N LYS A 98 0.092 17.502 0.480 1.00 32.04 N ATOM 1649 CA LYS A 98 -0.335 18.910 0.686 1.00 23.11 C ATOM 1650 C LYS A 98 0.838 19.895 0.433 1.00 14.14 C ATOM 1651 O LYS A 98 0.733 20.814 -0.383 1.00 4.03 O ATOM 1652 CB LYS A 98 -0.864 19.103 2.136 1.00 61.55 C ATOM 1653 CG LYS A 98 -1.969 18.121 2.572 1.00 21.41 C ATOM 1654 CD LYS A 98 -3.274 18.253 1.762 1.00 3.33 C ATOM 1655 CE LYS A 98 -4.371 17.286 2.244 1.00 44.15 C ATOM 1656 NZ LYS A 98 -5.631 17.462 1.465 1.00 14.23 N ATOM 0 H LYS A 98 0.398 17.047 1.340 1.00 32.04 H new ATOM 0 HA LYS A 98 -1.131 19.124 -0.028 1.00 23.11 H new ATOM 0 HB2 LYS A 98 -0.025 19.010 2.826 1.00 61.55 H new ATOM 0 HB3 LYS A 98 -1.245 20.119 2.233 1.00 61.55 H new ATOM 0 HG2 LYS A 98 -1.595 17.102 2.476 1.00 21.41 H new ATOM 0 HG3 LYS A 98 -2.189 18.282 3.627 1.00 21.41 H new ATOM 0 HD2 LYS A 98 -3.640 19.277 1.835 1.00 3.33 H new ATOM 0 HD3 LYS A 98 -3.065 18.063 0.709 1.00 3.33 H new ATOM 0 HE2 LYS A 98 -4.021 16.258 2.146 1.00 44.15 H new ATOM 0 HE3 LYS A 98 -4.569 17.456 3.302 1.00 44.15 H new ATOM 0 HZ1 LYS A 98 -6.345 16.785 1.802 1.00 14.23 H new ATOM 0 HZ2 LYS A 98 -5.986 18.431 1.593 1.00 14.23 H new ATOM 0 HZ3 LYS A 98 -5.442 17.292 0.456 1.00 14.23 H new