USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 695 hydrogens (44 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 83 SER OG : rot -82:sc= 0.301 USER MOD Set 1.2: A 86 THR OG1 : rot 142:sc= -0.245 USER MOD Set 2.1: A 17 TYR OH : rot 180:sc= -0.0832 USER MOD Set 2.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.0553 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 93:sc= 0.221 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0504 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 4:sc= 1.17 USER MOD Single : A 25 SER OG : rot 180:sc= 0.066 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.433 K(o=-0.43,f=0.34) USER MOD Single : A 41 THR OG1 : rot -167:sc= -3.26! USER MOD Single : A 42 THR OG1 : rot 76:sc= 1.93 USER MOD Single : A 46 GLN : amide:sc= -0.591 K(o=-0.59,f=-3.7!) USER MOD Single : A 50 ASN : amide:sc= -2.11 K(o=-2.1,f=-3.7!) USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= -1.48 (180deg=-1.99) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 149:sc= -0.0744 (180deg=-1.32!) USER MOD Single : A 63 ASN : amide:sc= -1.85 K(o=-1.8,f=-4.6!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.3!) USER MOD Single : A 66 ASN : amide:sc= -1.56 K(o=-1.6,f=-6.4!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.183) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.5!) USER MOD Single : A 89 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.11) USER MOD Single : A 90 THR OG1 : rot -44:sc= 0.447 USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.425) USER MOD Single : A 101 PGM O1 : rot 180:sc= 0 USER MOD Single : A 101 PGM O2 : rot 180:sc= 0 USER MOD Single : A 101 PGM O8 : rot -145:sc= -2.1! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.362 -0.965 0.373 1.00 53.43 N ATOM 2 CA ALA A 1 3.192 -0.955 -1.075 1.00 65.40 C ATOM 3 C ALA A 1 3.672 -2.265 -1.692 1.00 53.01 C ATOM 4 O ALA A 1 4.525 -2.952 -1.129 1.00 52.40 O ATOM 5 CB ALA A 1 3.938 0.222 -1.686 1.00 13.00 C ATOM 0 H1 ALA A 1 2.431 -1.030 0.831 1.00 53.43 H new ATOM 0 H2 ALA A 1 3.942 -1.783 0.649 1.00 53.43 H new ATOM 0 H3 ALA A 1 3.835 -0.089 0.673 1.00 53.43 H new ATOM 0 HA ALA A 1 2.129 -0.849 -1.291 1.00 65.40 H new ATOM 0 HB1 ALA A 1 3.802 0.217 -2.768 1.00 13.00 H new ATOM 0 HB2 ALA A 1 3.547 1.153 -1.276 1.00 13.00 H new ATOM 0 HB3 ALA A 1 5.000 0.140 -1.453 1.00 13.00 H new ATOM 11 N ILE A 2 3.118 -2.605 -2.851 1.00 34.22 N ATOM 12 CA ILE A 2 3.489 -3.833 -3.544 1.00 5.44 C ATOM 13 C ILE A 2 4.805 -3.662 -4.296 1.00 73.13 C ATOM 14 O ILE A 2 5.477 -2.639 -4.168 1.00 20.00 O ATOM 15 CB ILE A 2 2.397 -4.272 -4.536 1.00 34.33 C ATOM 16 CG1 ILE A 2 2.303 -3.281 -5.698 1.00 22.24 C ATOM 17 CG2 ILE A 2 1.056 -4.394 -3.827 1.00 12.10 C ATOM 18 CD1 ILE A 2 1.260 -3.654 -6.728 1.00 31.15 C ATOM 0 H ILE A 2 2.411 -2.048 -3.330 1.00 34.22 H new ATOM 0 HA ILE A 2 3.605 -4.603 -2.782 1.00 5.44 H new ATOM 0 HB ILE A 2 2.664 -5.249 -4.938 1.00 34.33 H new ATOM 0 HG12 ILE A 2 2.074 -2.291 -5.303 1.00 22.24 H new ATOM 0 HG13 ILE A 2 3.275 -3.212 -6.186 1.00 22.24 H new ATOM 0 HG21 ILE A 2 0.294 -4.705 -4.541 1.00 12.10 H new ATOM 0 HG22 ILE A 2 1.131 -5.135 -3.031 1.00 12.10 H new ATOM 0 HG23 ILE A 2 0.781 -3.429 -3.400 1.00 12.10 H new ATOM 0 HD11 ILE A 2 1.249 -2.907 -7.522 1.00 31.15 H new ATOM 0 HD12 ILE A 2 1.499 -4.630 -7.151 1.00 31.15 H new ATOM 0 HD13 ILE A 2 0.279 -3.694 -6.254 1.00 31.15 H new ATOM 30 N SER A 3 5.165 -4.671 -5.083 1.00 51.12 N ATOM 31 CA SER A 3 6.401 -4.634 -5.856 1.00 0.01 C ATOM 32 C SER A 3 6.107 -4.476 -7.345 1.00 33.35 C ATOM 33 O SER A 3 5.556 -5.376 -7.979 1.00 73.33 O ATOM 34 CB SER A 3 7.215 -5.907 -5.617 1.00 73.44 C ATOM 35 OG SER A 3 7.037 -6.386 -4.295 1.00 41.14 O ATOM 0 H SER A 3 4.618 -5.524 -5.202 1.00 51.12 H new ATOM 0 HA SER A 3 6.981 -3.773 -5.525 1.00 0.01 H new ATOM 0 HB2 SER A 3 6.912 -6.675 -6.329 1.00 73.44 H new ATOM 0 HB3 SER A 3 8.271 -5.706 -5.795 1.00 73.44 H new ATOM 0 HG SER A 3 7.566 -7.201 -4.168 1.00 41.14 H new ATOM 41 N CYS A 4 6.478 -3.326 -7.896 1.00 11.31 N ATOM 42 CA CYS A 4 6.254 -3.047 -9.309 1.00 64.34 C ATOM 43 C CYS A 4 6.826 -4.162 -10.180 1.00 63.15 C ATOM 44 O CYS A 4 6.337 -4.418 -11.280 1.00 43.00 O ATOM 45 CB CYS A 4 6.888 -1.709 -9.694 1.00 5.15 C ATOM 46 SG CYS A 4 6.186 -0.958 -11.197 1.00 44.14 S ATOM 0 H CYS A 4 6.936 -2.571 -7.385 1.00 11.31 H new ATOM 0 HA CYS A 4 5.178 -2.993 -9.477 1.00 64.34 H new ATOM 0 HB2 CYS A 4 6.771 -1.012 -8.864 1.00 5.15 H new ATOM 0 HB3 CYS A 4 7.958 -1.855 -9.840 1.00 5.15 H new ATOM 51 N GLY A 5 7.866 -4.823 -9.680 1.00 12.13 N ATOM 52 CA GLY A 5 8.487 -5.902 -10.424 1.00 63.44 C ATOM 53 C GLY A 5 7.589 -7.117 -10.543 1.00 32.54 C ATOM 54 O GLY A 5 7.665 -7.861 -11.520 1.00 72.11 O ATOM 0 H GLY A 5 8.289 -4.630 -8.772 1.00 12.13 H new ATOM 0 HA2 GLY A 5 8.748 -5.548 -11.421 1.00 63.44 H new ATOM 0 HA3 GLY A 5 9.417 -6.189 -9.934 1.00 63.44 H new ATOM 58 N ALA A 6 6.737 -7.321 -9.543 1.00 55.33 N ATOM 59 CA ALA A 6 5.820 -8.454 -9.540 1.00 12.13 C ATOM 60 C ALA A 6 4.544 -8.130 -10.310 1.00 20.42 C ATOM 61 O ALA A 6 3.763 -9.023 -10.641 1.00 3.13 O ATOM 62 CB ALA A 6 5.488 -8.860 -8.111 1.00 52.34 C ATOM 0 H ALA A 6 6.663 -6.716 -8.725 1.00 55.33 H new ATOM 0 HA ALA A 6 6.312 -9.289 -10.039 1.00 12.13 H new ATOM 0 HB1 ALA A 6 4.802 -9.707 -8.123 1.00 52.34 H new ATOM 0 HB2 ALA A 6 6.403 -9.142 -7.591 1.00 52.34 H new ATOM 0 HB3 ALA A 6 5.020 -8.022 -7.594 1.00 52.34 H new ATOM 68 N VAL A 7 4.338 -6.848 -10.592 1.00 14.10 N ATOM 69 CA VAL A 7 3.156 -6.407 -11.324 1.00 3.43 C ATOM 70 C VAL A 7 3.259 -6.766 -12.802 1.00 21.24 C ATOM 71 O VAL A 7 2.330 -7.328 -13.382 1.00 72.50 O ATOM 72 CB VAL A 7 2.949 -4.886 -11.190 1.00 35.32 C ATOM 73 CG1 VAL A 7 1.696 -4.451 -11.935 1.00 42.40 C ATOM 74 CG2 VAL A 7 2.873 -4.486 -9.724 1.00 70.40 C ATOM 0 H VAL A 7 4.974 -6.096 -10.325 1.00 14.10 H new ATOM 0 HA VAL A 7 2.301 -6.923 -10.887 1.00 3.43 H new ATOM 0 HB VAL A 7 3.804 -4.379 -11.637 1.00 35.32 H new ATOM 0 HG11 VAL A 7 1.565 -3.374 -11.830 1.00 42.40 H new ATOM 0 HG12 VAL A 7 1.795 -4.703 -12.991 1.00 42.40 H new ATOM 0 HG13 VAL A 7 0.829 -4.964 -11.519 1.00 42.40 H new ATOM 0 HG21 VAL A 7 2.727 -3.409 -9.648 1.00 70.40 H new ATOM 0 HG22 VAL A 7 2.037 -5.000 -9.249 1.00 70.40 H new ATOM 0 HG23 VAL A 7 3.801 -4.762 -9.223 1.00 70.40 H new ATOM 84 N THR A 8 4.396 -6.438 -13.407 1.00 65.51 N ATOM 85 CA THR A 8 4.622 -6.726 -14.818 1.00 54.00 C ATOM 86 C THR A 8 4.909 -8.207 -15.038 1.00 54.24 C ATOM 87 O THR A 8 4.370 -8.823 -15.958 1.00 22.11 O ATOM 88 CB THR A 8 5.793 -5.898 -15.380 1.00 71.51 C ATOM 89 OG1 THR A 8 6.992 -6.189 -14.653 1.00 34.41 O ATOM 90 CG2 THR A 8 5.492 -4.410 -15.297 1.00 43.54 C ATOM 0 H THR A 8 5.175 -5.972 -12.942 1.00 65.51 H new ATOM 0 HA THR A 8 3.708 -6.454 -15.346 1.00 54.00 H new ATOM 0 HB THR A 8 5.930 -6.167 -16.427 1.00 71.51 H new ATOM 0 HG1 THR A 8 7.482 -6.907 -15.105 1.00 34.41 H new ATOM 0 HG21 THR A 8 6.333 -3.846 -15.700 1.00 43.54 H new ATOM 0 HG22 THR A 8 4.595 -4.187 -15.876 1.00 43.54 H new ATOM 0 HG23 THR A 8 5.331 -4.129 -14.256 1.00 43.54 H new ATOM 98 N SER A 9 5.760 -8.773 -14.189 1.00 12.33 N ATOM 99 CA SER A 9 6.121 -10.182 -14.293 1.00 13.31 C ATOM 100 C SER A 9 4.876 -11.064 -14.282 1.00 12.33 C ATOM 101 O SER A 9 4.778 -12.027 -15.041 1.00 74.54 O ATOM 102 CB SER A 9 7.051 -10.578 -13.145 1.00 33.04 C ATOM 103 OG SER A 9 7.945 -11.602 -13.543 1.00 63.22 O ATOM 0 H SER A 9 6.213 -8.277 -13.421 1.00 12.33 H new ATOM 0 HA SER A 9 6.641 -10.330 -15.240 1.00 13.31 H new ATOM 0 HB2 SER A 9 7.616 -9.707 -12.813 1.00 33.04 H new ATOM 0 HB3 SER A 9 6.460 -10.917 -12.294 1.00 33.04 H new ATOM 0 HG SER A 9 8.530 -11.836 -12.792 1.00 63.22 H new ATOM 109 N ASP A 10 3.928 -10.726 -13.415 1.00 34.33 N ATOM 110 CA ASP A 10 2.688 -11.486 -13.304 1.00 14.12 C ATOM 111 C ASP A 10 1.946 -11.513 -14.637 1.00 11.24 C ATOM 112 O ASP A 10 1.097 -12.375 -14.870 1.00 4.22 O ATOM 113 CB ASP A 10 1.792 -10.885 -12.219 1.00 72.24 C ATOM 114 CG ASP A 10 2.193 -11.327 -10.826 1.00 64.51 C ATOM 115 OD1 ASP A 10 1.589 -10.836 -9.850 1.00 33.12 O ATOM 116 OD2 ASP A 10 3.112 -12.166 -10.712 1.00 13.32 O ATOM 0 H ASP A 10 3.994 -9.931 -12.779 1.00 34.33 H new ATOM 0 HA ASP A 10 2.941 -12.510 -13.029 1.00 14.12 H new ATOM 0 HB2 ASP A 10 1.835 -9.797 -12.278 1.00 72.24 H new ATOM 0 HB3 ASP A 10 0.758 -11.174 -12.405 1.00 72.24 H new ATOM 121 N LEU A 11 2.270 -10.564 -15.507 1.00 42.54 N ATOM 122 CA LEU A 11 1.634 -10.477 -16.817 1.00 70.34 C ATOM 123 C LEU A 11 2.576 -10.965 -17.913 1.00 72.54 C ATOM 124 O LEU A 11 2.352 -10.711 -19.097 1.00 3.33 O ATOM 125 CB LEU A 11 1.203 -9.038 -17.103 1.00 43.42 C ATOM 126 CG LEU A 11 -0.015 -8.535 -16.328 1.00 2.25 C ATOM 127 CD1 LEU A 11 -0.435 -7.161 -16.826 1.00 0.23 C ATOM 128 CD2 LEU A 11 -1.167 -9.522 -16.445 1.00 62.13 C ATOM 0 H LEU A 11 2.970 -9.843 -15.329 1.00 42.54 H new ATOM 0 HA LEU A 11 0.753 -11.118 -16.808 1.00 70.34 H new ATOM 0 HB2 LEU A 11 2.044 -8.379 -16.887 1.00 43.42 H new ATOM 0 HB3 LEU A 11 0.993 -8.948 -18.169 1.00 43.42 H new ATOM 0 HG LEU A 11 0.258 -8.449 -15.276 1.00 2.25 H new ATOM 0 HD11 LEU A 11 -1.303 -6.820 -16.263 1.00 0.23 H new ATOM 0 HD12 LEU A 11 0.386 -6.458 -16.689 1.00 0.23 H new ATOM 0 HD13 LEU A 11 -0.689 -7.220 -17.884 1.00 0.23 H new ATOM 0 HD21 LEU A 11 -2.025 -9.147 -15.887 1.00 62.13 H new ATOM 0 HD22 LEU A 11 -1.440 -9.640 -17.494 1.00 62.13 H new ATOM 0 HD23 LEU A 11 -0.863 -10.486 -16.038 1.00 62.13 H new ATOM 140 N SER A 12 3.629 -11.670 -17.511 1.00 74.22 N ATOM 141 CA SER A 12 4.606 -12.193 -18.459 1.00 33.20 C ATOM 142 C SER A 12 3.926 -13.052 -19.521 1.00 42.13 C ATOM 143 O SER A 12 3.993 -12.772 -20.718 1.00 60.14 O ATOM 144 CB SER A 12 5.669 -13.014 -17.727 1.00 20.11 C ATOM 145 OG SER A 12 6.080 -14.125 -18.504 1.00 65.04 O ATOM 0 H SER A 12 3.827 -11.892 -16.535 1.00 74.22 H new ATOM 0 HA SER A 12 5.086 -11.348 -18.952 1.00 33.20 H new ATOM 0 HB2 SER A 12 6.530 -12.384 -17.504 1.00 20.11 H new ATOM 0 HB3 SER A 12 5.272 -13.361 -16.773 1.00 20.11 H new ATOM 0 HG SER A 12 6.761 -14.632 -18.015 1.00 65.04 H new ATOM 151 N PRO A 13 3.256 -14.124 -19.074 1.00 73.13 N ATOM 152 CA PRO A 13 2.550 -15.046 -19.969 1.00 62.31 C ATOM 153 C PRO A 13 1.313 -14.413 -20.597 1.00 5.52 C ATOM 154 O PRO A 13 0.744 -14.948 -21.549 1.00 2.44 O ATOM 155 CB PRO A 13 2.150 -16.200 -19.046 1.00 12.31 C ATOM 156 CG PRO A 13 2.081 -15.591 -17.688 1.00 21.43 C ATOM 157 CD PRO A 13 3.134 -14.518 -17.661 1.00 22.53 C ATOM 0 HA PRO A 13 3.171 -15.351 -20.811 1.00 62.31 H new ATOM 0 HB2 PRO A 13 1.190 -16.626 -19.338 1.00 12.31 H new ATOM 0 HB3 PRO A 13 2.882 -17.007 -19.081 1.00 12.31 H new ATOM 0 HG2 PRO A 13 1.093 -15.173 -17.498 1.00 21.43 H new ATOM 0 HG3 PRO A 13 2.265 -16.338 -16.916 1.00 21.43 H new ATOM 0 HD2 PRO A 13 2.836 -13.678 -17.034 1.00 22.53 H new ATOM 0 HD3 PRO A 13 4.078 -14.892 -17.265 1.00 22.53 H new ATOM 165 N CYS A 14 0.902 -13.269 -20.059 1.00 23.34 N ATOM 166 CA CYS A 14 -0.267 -12.562 -20.566 1.00 12.35 C ATOM 167 C CYS A 14 0.121 -11.602 -21.687 1.00 23.41 C ATOM 168 O CYS A 14 -0.680 -11.312 -22.576 1.00 13.42 O ATOM 169 CB CYS A 14 -0.953 -11.792 -19.435 1.00 41.43 C ATOM 170 SG CYS A 14 -1.532 -12.842 -18.064 1.00 73.25 S ATOM 0 H CYS A 14 1.362 -12.812 -19.272 1.00 23.34 H new ATOM 0 HA CYS A 14 -0.961 -13.300 -20.968 1.00 12.35 H new ATOM 0 HB2 CYS A 14 -0.258 -11.050 -19.042 1.00 41.43 H new ATOM 0 HB3 CYS A 14 -1.803 -11.247 -19.845 1.00 41.43 H new ATOM 175 N LEU A 15 1.356 -11.114 -21.639 1.00 33.12 N ATOM 176 CA LEU A 15 1.852 -10.187 -22.650 1.00 71.54 C ATOM 177 C LEU A 15 1.468 -10.654 -24.051 1.00 41.21 C ATOM 178 O LEU A 15 1.051 -9.856 -24.891 1.00 51.50 O ATOM 179 CB LEU A 15 3.372 -10.052 -22.544 1.00 51.24 C ATOM 180 CG LEU A 15 3.974 -8.772 -23.126 1.00 33.02 C ATOM 181 CD1 LEU A 15 3.310 -7.546 -22.519 1.00 35.14 C ATOM 182 CD2 LEU A 15 5.477 -8.736 -22.894 1.00 22.34 C ATOM 0 H LEU A 15 2.032 -11.345 -20.911 1.00 33.12 H new ATOM 0 HA LEU A 15 1.394 -9.214 -22.472 1.00 71.54 H new ATOM 0 HB2 LEU A 15 3.650 -10.115 -21.492 1.00 51.24 H new ATOM 0 HB3 LEU A 15 3.828 -10.905 -23.046 1.00 51.24 H new ATOM 0 HG LEU A 15 3.792 -8.764 -24.201 1.00 33.02 H new ATOM 0 HD11 LEU A 15 3.751 -6.645 -22.945 1.00 35.14 H new ATOM 0 HD12 LEU A 15 2.242 -7.565 -22.737 1.00 35.14 H new ATOM 0 HD13 LEU A 15 3.460 -7.548 -21.439 1.00 35.14 H new ATOM 0 HD21 LEU A 15 5.888 -7.818 -23.315 1.00 22.34 H new ATOM 0 HD22 LEU A 15 5.681 -8.768 -21.824 1.00 22.34 H new ATOM 0 HD23 LEU A 15 5.940 -9.596 -23.377 1.00 22.34 H new ATOM 194 N THR A 16 1.610 -11.953 -24.296 1.00 53.35 N ATOM 195 CA THR A 16 1.277 -12.526 -25.594 1.00 61.14 C ATOM 196 C THR A 16 -0.149 -12.173 -26.002 1.00 45.15 C ATOM 197 O THR A 16 -0.367 -11.488 -27.002 1.00 2.41 O ATOM 198 CB THR A 16 1.432 -14.059 -25.588 1.00 45.51 C ATOM 199 OG1 THR A 16 2.797 -14.412 -25.334 1.00 13.41 O ATOM 200 CG2 THR A 16 0.989 -14.653 -26.916 1.00 54.12 C ATOM 0 H THR A 16 1.953 -12.628 -23.612 1.00 53.35 H new ATOM 0 HA THR A 16 1.974 -12.100 -26.315 1.00 61.14 H new ATOM 0 HB THR A 16 0.799 -14.463 -24.798 1.00 45.51 H new ATOM 0 HG1 THR A 16 2.887 -15.388 -25.330 1.00 13.41 H new ATOM 0 HG21 THR A 16 1.108 -15.736 -26.888 1.00 54.12 H new ATOM 0 HG22 THR A 16 -0.058 -14.407 -27.093 1.00 54.12 H new ATOM 0 HG23 THR A 16 1.599 -14.242 -27.720 1.00 54.12 H new ATOM 208 N TYR A 17 -1.116 -12.644 -25.223 1.00 43.12 N ATOM 209 CA TYR A 17 -2.521 -12.379 -25.505 1.00 15.20 C ATOM 210 C TYR A 17 -2.811 -10.881 -25.469 1.00 35.44 C ATOM 211 O TYR A 17 -3.667 -10.384 -26.203 1.00 23.43 O ATOM 212 CB TYR A 17 -3.412 -13.107 -24.496 1.00 45.41 C ATOM 213 CG TYR A 17 -4.866 -12.701 -24.569 1.00 33.10 C ATOM 214 CD1 TYR A 17 -5.676 -13.131 -25.614 1.00 1.54 C ATOM 215 CD2 TYR A 17 -5.431 -11.888 -23.594 1.00 71.03 C ATOM 216 CE1 TYR A 17 -7.005 -12.762 -25.685 1.00 34.12 C ATOM 217 CE2 TYR A 17 -6.760 -11.516 -23.657 1.00 0.14 C ATOM 218 CZ TYR A 17 -7.543 -11.955 -24.704 1.00 21.23 C ATOM 219 OH TYR A 17 -8.867 -11.585 -24.770 1.00 63.42 O ATOM 0 H TYR A 17 -0.952 -13.211 -24.391 1.00 43.12 H new ATOM 0 HA TYR A 17 -2.740 -12.749 -26.506 1.00 15.20 H new ATOM 0 HB2 TYR A 17 -3.335 -14.181 -24.664 1.00 45.41 H new ATOM 0 HB3 TYR A 17 -3.040 -12.914 -23.490 1.00 45.41 H new ATOM 0 HD1 TYR A 17 -5.259 -13.764 -26.383 1.00 1.54 H new ATOM 0 HD2 TYR A 17 -4.821 -11.541 -22.773 1.00 71.03 H new ATOM 0 HE1 TYR A 17 -7.620 -13.104 -26.504 1.00 34.12 H new ATOM 0 HE2 TYR A 17 -7.184 -10.885 -22.890 1.00 0.14 H new ATOM 0 HH TYR A 17 -9.087 -11.017 -24.002 1.00 63.42 H new ATOM 229 N LEU A 18 -2.093 -10.167 -24.610 1.00 22.24 N ATOM 230 CA LEU A 18 -2.271 -8.725 -24.476 1.00 62.43 C ATOM 231 C LEU A 18 -1.735 -7.995 -25.703 1.00 52.25 C ATOM 232 O LEU A 18 -2.176 -6.891 -26.024 1.00 51.34 O ATOM 233 CB LEU A 18 -1.564 -8.219 -23.218 1.00 2.40 C ATOM 234 CG LEU A 18 -2.182 -8.640 -21.885 1.00 33.33 C ATOM 235 CD1 LEU A 18 -1.439 -7.997 -20.724 1.00 61.23 C ATOM 236 CD2 LEU A 18 -3.659 -8.275 -21.842 1.00 61.25 C ATOM 0 H LEU A 18 -1.382 -10.563 -23.995 1.00 22.24 H new ATOM 0 HA LEU A 18 -3.338 -8.521 -24.392 1.00 62.43 H new ATOM 0 HB2 LEU A 18 -0.531 -8.566 -23.242 1.00 2.40 H new ATOM 0 HB3 LEU A 18 -1.536 -7.130 -23.255 1.00 2.40 H new ATOM 0 HG LEU A 18 -2.092 -9.722 -21.792 1.00 33.33 H new ATOM 0 HD11 LEU A 18 -1.894 -8.309 -19.784 1.00 61.23 H new ATOM 0 HD12 LEU A 18 -0.395 -8.309 -20.743 1.00 61.23 H new ATOM 0 HD13 LEU A 18 -1.495 -6.912 -20.812 1.00 61.23 H new ATOM 0 HD21 LEU A 18 -4.082 -8.582 -20.886 1.00 61.25 H new ATOM 0 HD22 LEU A 18 -3.771 -7.197 -21.959 1.00 61.25 H new ATOM 0 HD23 LEU A 18 -4.183 -8.784 -22.651 1.00 61.25 H new ATOM 248 N THR A 19 -0.782 -8.619 -26.389 1.00 32.33 N ATOM 249 CA THR A 19 -0.187 -8.030 -27.581 1.00 51.22 C ATOM 250 C THR A 19 -0.878 -8.529 -28.845 1.00 21.31 C ATOM 251 O THR A 19 -0.254 -8.653 -29.898 1.00 2.22 O ATOM 252 CB THR A 19 1.318 -8.346 -27.673 1.00 73.01 C ATOM 253 OG1 THR A 19 1.521 -9.763 -27.669 1.00 25.40 O ATOM 254 CG2 THR A 19 2.075 -7.716 -26.514 1.00 32.33 C ATOM 0 H THR A 19 -0.406 -9.533 -26.138 1.00 32.33 H new ATOM 0 HA THR A 19 -0.320 -6.951 -27.500 1.00 51.22 H new ATOM 0 HB THR A 19 1.699 -7.927 -28.604 1.00 73.01 H new ATOM 0 HG1 THR A 19 0.653 -10.218 -27.676 1.00 25.40 H new ATOM 0 HG21 THR A 19 3.135 -7.953 -26.600 1.00 32.33 H new ATOM 0 HG22 THR A 19 1.942 -6.634 -26.537 1.00 32.33 H new ATOM 0 HG23 THR A 19 1.691 -8.109 -25.572 1.00 32.33 H new ATOM 262 N GLY A 20 -2.172 -8.815 -28.733 1.00 63.22 N ATOM 263 CA GLY A 20 -2.926 -9.298 -29.875 1.00 51.32 C ATOM 264 C GLY A 20 -2.776 -10.792 -30.079 1.00 72.25 C ATOM 265 O GLY A 20 -3.366 -11.363 -30.996 1.00 43.33 O ATOM 0 H GLY A 20 -2.711 -8.721 -27.872 1.00 63.22 H new ATOM 0 HA2 GLY A 20 -3.980 -9.057 -29.738 1.00 51.32 H new ATOM 0 HA3 GLY A 20 -2.594 -8.777 -30.773 1.00 51.32 H new ATOM 269 N GLY A 21 -1.983 -11.429 -29.223 1.00 2.40 N ATOM 270 CA GLY A 21 -1.770 -12.860 -29.332 1.00 41.01 C ATOM 271 C GLY A 21 -2.971 -13.662 -28.872 1.00 11.44 C ATOM 272 O GLY A 21 -3.966 -13.113 -28.398 1.00 52.41 O ATOM 0 H GLY A 21 -1.484 -10.979 -28.456 1.00 2.40 H new ATOM 0 HA2 GLY A 21 -1.544 -13.113 -30.368 1.00 41.01 H new ATOM 0 HA3 GLY A 21 -0.900 -13.141 -28.738 1.00 41.01 H new ATOM 276 N PRO A 22 -2.888 -14.993 -29.011 1.00 25.15 N ATOM 277 CA PRO A 22 -3.968 -15.900 -28.612 1.00 10.01 C ATOM 278 C PRO A 22 -4.137 -15.970 -27.098 1.00 61.30 C ATOM 279 O PRO A 22 -3.179 -15.790 -26.348 1.00 22.13 O ATOM 280 CB PRO A 22 -3.516 -17.255 -29.163 1.00 4.51 C ATOM 281 CG PRO A 22 -2.032 -17.154 -29.245 1.00 44.40 C ATOM 282 CD PRO A 22 -1.732 -15.716 -29.567 1.00 45.31 C ATOM 0 HA PRO A 22 -4.936 -15.572 -28.991 1.00 10.01 H new ATOM 0 HB2 PRO A 22 -3.822 -18.071 -28.508 1.00 4.51 H new ATOM 0 HB3 PRO A 22 -3.954 -17.451 -30.142 1.00 4.51 H new ATOM 0 HG2 PRO A 22 -1.568 -17.448 -28.303 1.00 44.40 H new ATOM 0 HG3 PRO A 22 -1.638 -17.817 -30.015 1.00 44.40 H new ATOM 0 HD2 PRO A 22 -0.797 -15.389 -29.112 1.00 45.31 H new ATOM 0 HD3 PRO A 22 -1.637 -15.556 -30.641 1.00 45.31 H new ATOM 290 N GLY A 23 -5.363 -16.234 -26.655 1.00 63.23 N ATOM 291 CA GLY A 23 -5.634 -16.324 -25.233 1.00 12.14 C ATOM 292 C GLY A 23 -7.013 -15.808 -24.872 1.00 32.32 C ATOM 293 O GLY A 23 -7.903 -15.710 -25.717 1.00 12.22 O ATOM 0 H GLY A 23 -6.173 -16.387 -27.256 1.00 63.23 H new ATOM 0 HA2 GLY A 23 -5.543 -17.362 -24.914 1.00 12.14 H new ATOM 0 HA3 GLY A 23 -4.882 -15.755 -24.686 1.00 12.14 H new ATOM 297 N PRO A 24 -7.206 -15.470 -23.588 1.00 63.12 N ATOM 298 CA PRO A 24 -6.154 -15.584 -22.573 1.00 41.44 C ATOM 299 C PRO A 24 -5.821 -17.035 -22.243 1.00 52.42 C ATOM 300 O PRO A 24 -6.707 -17.826 -21.920 1.00 64.41 O ATOM 301 CB PRO A 24 -6.760 -14.883 -21.355 1.00 21.23 C ATOM 302 CG PRO A 24 -8.233 -15.001 -21.544 1.00 1.23 C ATOM 303 CD PRO A 24 -8.465 -14.951 -23.029 1.00 31.34 C ATOM 0 HA PRO A 24 -5.214 -15.147 -22.909 1.00 41.44 H new ATOM 0 HB2 PRO A 24 -6.441 -15.356 -20.426 1.00 21.23 H new ATOM 0 HB3 PRO A 24 -6.450 -13.839 -21.304 1.00 21.23 H new ATOM 0 HG2 PRO A 24 -8.607 -15.934 -21.122 1.00 1.23 H new ATOM 0 HG3 PRO A 24 -8.757 -14.190 -21.039 1.00 1.23 H new ATOM 0 HD2 PRO A 24 -9.318 -15.563 -23.323 1.00 31.34 H new ATOM 0 HD3 PRO A 24 -8.668 -13.936 -23.370 1.00 31.34 H new ATOM 311 N SER A 25 -4.539 -17.377 -22.326 1.00 54.40 N ATOM 312 CA SER A 25 -4.090 -18.734 -22.039 1.00 14.00 C ATOM 313 C SER A 25 -4.333 -19.088 -20.575 1.00 71.30 C ATOM 314 O SER A 25 -4.569 -18.223 -19.731 1.00 63.32 O ATOM 315 CB SER A 25 -2.605 -18.883 -22.372 1.00 63.41 C ATOM 316 OG SER A 25 -1.924 -17.648 -22.232 1.00 61.54 O ATOM 0 H SER A 25 -3.793 -16.733 -22.590 1.00 54.40 H new ATOM 0 HA SER A 25 -4.665 -19.420 -22.661 1.00 14.00 H new ATOM 0 HB2 SER A 25 -2.155 -19.627 -21.715 1.00 63.41 H new ATOM 0 HB3 SER A 25 -2.493 -19.250 -23.392 1.00 63.41 H new ATOM 0 HG SER A 25 -0.976 -17.771 -22.449 1.00 61.54 H new ATOM 322 N PRO A 26 -4.275 -20.392 -20.265 1.00 64.02 N ATOM 323 CA PRO A 26 -4.485 -20.892 -18.903 1.00 63.23 C ATOM 324 C PRO A 26 -3.342 -20.518 -17.966 1.00 11.34 C ATOM 325 O PRO A 26 -3.544 -20.351 -16.763 1.00 71.11 O ATOM 326 CB PRO A 26 -4.548 -22.410 -19.089 1.00 34.31 C ATOM 327 CG PRO A 26 -3.774 -22.672 -20.335 1.00 34.54 C ATOM 328 CD PRO A 26 -3.998 -21.478 -21.220 1.00 74.24 C ATOM 0 HA PRO A 26 -5.378 -20.467 -18.446 1.00 63.23 H new ATOM 0 HB2 PRO A 26 -4.114 -22.932 -18.236 1.00 34.31 H new ATOM 0 HB3 PRO A 26 -5.578 -22.755 -19.183 1.00 34.31 H new ATOM 0 HG2 PRO A 26 -2.714 -22.802 -20.116 1.00 34.54 H new ATOM 0 HG3 PRO A 26 -4.114 -23.587 -20.820 1.00 34.54 H new ATOM 0 HD2 PRO A 26 -3.122 -21.261 -21.832 1.00 74.24 H new ATOM 0 HD3 PRO A 26 -4.833 -21.635 -21.903 1.00 74.24 H new ATOM 336 N GLN A 27 -2.143 -20.387 -18.524 1.00 11.41 N ATOM 337 CA GLN A 27 -0.969 -20.032 -17.736 1.00 3.21 C ATOM 338 C GLN A 27 -0.968 -18.544 -17.399 1.00 34.41 C ATOM 339 O GLN A 27 -0.434 -18.130 -16.370 1.00 24.31 O ATOM 340 CB GLN A 27 0.309 -20.395 -18.494 1.00 61.22 C ATOM 341 CG GLN A 27 0.375 -21.856 -18.910 1.00 24.03 C ATOM 342 CD GLN A 27 1.584 -22.163 -19.772 1.00 73.22 C ATOM 343 OE1 GLN A 27 2.721 -22.133 -19.301 1.00 50.52 O ATOM 344 NE2 GLN A 27 1.343 -22.462 -21.043 1.00 63.05 N ATOM 0 H GLN A 27 -1.959 -20.521 -19.518 1.00 11.41 H new ATOM 0 HA GLN A 27 -1.004 -20.597 -16.805 1.00 3.21 H new ATOM 0 HB2 GLN A 27 0.385 -19.769 -19.383 1.00 61.22 H new ATOM 0 HB3 GLN A 27 1.171 -20.165 -17.868 1.00 61.22 H new ATOM 0 HG2 GLN A 27 0.400 -22.483 -18.019 1.00 24.03 H new ATOM 0 HG3 GLN A 27 -0.532 -22.116 -19.457 1.00 24.03 H new ATOM 0 HE21 GLN A 27 0.384 -22.475 -21.391 1.00 63.05 H new ATOM 0 HE22 GLN A 27 2.117 -22.679 -21.671 1.00 63.05 H new ATOM 353 N CYS A 28 -1.571 -17.745 -18.272 1.00 50.34 N ATOM 354 CA CYS A 28 -1.640 -16.303 -18.069 1.00 11.22 C ATOM 355 C CYS A 28 -2.622 -15.957 -16.953 1.00 74.52 C ATOM 356 O CYS A 28 -2.293 -15.213 -16.029 1.00 51.13 O ATOM 357 CB CYS A 28 -2.056 -15.603 -19.364 1.00 70.12 C ATOM 358 SG CYS A 28 -2.922 -14.020 -19.110 1.00 24.54 S ATOM 0 H CYS A 28 -2.019 -18.072 -19.128 1.00 50.34 H new ATOM 0 HA CYS A 28 -0.649 -15.955 -17.778 1.00 11.22 H new ATOM 0 HB2 CYS A 28 -1.167 -15.425 -19.970 1.00 70.12 H new ATOM 0 HB3 CYS A 28 -2.702 -16.271 -19.934 1.00 70.12 H new ATOM 363 N CYS A 29 -3.830 -16.504 -17.046 1.00 11.22 N ATOM 364 CA CYS A 29 -4.861 -16.255 -16.046 1.00 14.31 C ATOM 365 C CYS A 29 -4.324 -16.498 -14.638 1.00 75.14 C ATOM 366 O CYS A 29 -4.716 -15.823 -13.688 1.00 15.13 O ATOM 367 CB CYS A 29 -6.076 -17.149 -16.302 1.00 51.00 C ATOM 368 SG CYS A 29 -7.136 -16.589 -17.674 1.00 4.00 S ATOM 0 H CYS A 29 -4.118 -17.123 -17.804 1.00 11.22 H new ATOM 0 HA CYS A 29 -5.164 -15.211 -16.125 1.00 14.31 H new ATOM 0 HB2 CYS A 29 -5.731 -18.161 -16.514 1.00 51.00 H new ATOM 0 HB3 CYS A 29 -6.674 -17.200 -15.392 1.00 51.00 H new ATOM 373 N GLY A 30 -3.424 -17.468 -14.514 1.00 21.51 N ATOM 374 CA GLY A 30 -2.848 -17.784 -13.220 1.00 65.10 C ATOM 375 C GLY A 30 -2.225 -16.574 -12.552 1.00 62.20 C ATOM 376 O GLY A 30 -2.398 -16.361 -11.353 1.00 2.31 O ATOM 0 H GLY A 30 -3.083 -18.041 -15.286 1.00 21.51 H new ATOM 0 HA2 GLY A 30 -3.622 -18.195 -12.572 1.00 65.10 H new ATOM 0 HA3 GLY A 30 -2.090 -18.558 -13.342 1.00 65.10 H new ATOM 380 N GLY A 31 -1.496 -15.780 -13.330 1.00 64.03 N ATOM 381 CA GLY A 31 -0.854 -14.596 -12.789 1.00 34.22 C ATOM 382 C GLY A 31 -1.834 -13.464 -12.550 1.00 22.33 C ATOM 383 O GLY A 31 -1.772 -12.786 -11.524 1.00 42.02 O ATOM 0 H GLY A 31 -1.338 -15.936 -14.326 1.00 64.03 H new ATOM 0 HA2 GLY A 31 -0.361 -14.850 -11.851 1.00 34.22 H new ATOM 0 HA3 GLY A 31 -0.077 -14.261 -13.477 1.00 34.22 H new ATOM 387 N VAL A 32 -2.741 -13.258 -13.500 1.00 4.25 N ATOM 388 CA VAL A 32 -3.737 -12.200 -13.388 1.00 14.41 C ATOM 389 C VAL A 32 -4.468 -12.272 -12.052 1.00 10.42 C ATOM 390 O VAL A 32 -4.667 -11.256 -11.384 1.00 62.34 O ATOM 391 CB VAL A 32 -4.769 -12.277 -14.529 1.00 64.23 C ATOM 392 CG1 VAL A 32 -5.809 -11.177 -14.385 1.00 44.43 C ATOM 393 CG2 VAL A 32 -4.075 -12.193 -15.880 1.00 43.14 C ATOM 0 H VAL A 32 -2.806 -13.810 -14.355 1.00 4.25 H new ATOM 0 HA VAL A 32 -3.201 -11.253 -13.456 1.00 14.41 H new ATOM 0 HB VAL A 32 -5.281 -13.237 -14.468 1.00 64.23 H new ATOM 0 HG11 VAL A 32 -6.529 -11.248 -15.200 1.00 44.43 H new ATOM 0 HG12 VAL A 32 -6.327 -11.289 -13.432 1.00 44.43 H new ATOM 0 HG13 VAL A 32 -5.317 -10.205 -14.419 1.00 44.43 H new ATOM 0 HG21 VAL A 32 -4.819 -12.249 -16.675 1.00 43.14 H new ATOM 0 HG22 VAL A 32 -3.535 -11.249 -15.954 1.00 43.14 H new ATOM 0 HG23 VAL A 32 -3.373 -13.021 -15.981 1.00 43.14 H new ATOM 403 N LYS A 33 -4.866 -13.479 -11.666 1.00 31.12 N ATOM 404 CA LYS A 33 -5.574 -13.686 -10.408 1.00 22.21 C ATOM 405 C LYS A 33 -4.679 -13.351 -9.219 1.00 13.32 C ATOM 406 O LYS A 33 -5.113 -12.704 -8.265 1.00 51.12 O ATOM 407 CB LYS A 33 -6.057 -15.134 -10.303 1.00 74.44 C ATOM 408 CG LYS A 33 -7.002 -15.542 -11.420 1.00 73.25 C ATOM 409 CD LYS A 33 -6.862 -17.017 -11.759 1.00 43.33 C ATOM 410 CE LYS A 33 -8.004 -17.497 -12.641 1.00 62.34 C ATOM 411 NZ LYS A 33 -8.391 -18.901 -12.331 1.00 73.31 N ATOM 0 H LYS A 33 -4.710 -14.330 -12.207 1.00 31.12 H new ATOM 0 HA LYS A 33 -6.436 -13.019 -10.391 1.00 22.21 H new ATOM 0 HB2 LYS A 33 -5.193 -15.798 -10.309 1.00 74.44 H new ATOM 0 HB3 LYS A 33 -6.559 -15.272 -9.345 1.00 74.44 H new ATOM 0 HG2 LYS A 33 -8.030 -15.332 -11.123 1.00 73.25 H new ATOM 0 HG3 LYS A 33 -6.798 -14.943 -12.307 1.00 73.25 H new ATOM 0 HD2 LYS A 33 -5.913 -17.186 -12.267 1.00 43.33 H new ATOM 0 HD3 LYS A 33 -6.840 -17.602 -10.840 1.00 43.33 H new ATOM 0 HE2 LYS A 33 -8.866 -16.844 -12.506 1.00 62.34 H new ATOM 0 HE3 LYS A 33 -7.710 -17.424 -13.688 1.00 62.34 H new ATOM 0 HZ1 LYS A 33 -9.172 -19.191 -12.953 1.00 73.31 H new ATOM 0 HZ2 LYS A 33 -7.575 -19.528 -12.484 1.00 73.31 H new ATOM 0 HZ3 LYS A 33 -8.696 -18.966 -11.339 1.00 73.31 H new ATOM 425 N LYS A 34 -3.428 -13.793 -9.282 1.00 71.21 N ATOM 426 CA LYS A 34 -2.471 -13.538 -8.212 1.00 63.04 C ATOM 427 C LYS A 34 -2.203 -12.043 -8.067 1.00 30.41 C ATOM 428 O LYS A 34 -2.077 -11.530 -6.954 1.00 62.32 O ATOM 429 CB LYS A 34 -1.159 -14.278 -8.487 1.00 13.54 C ATOM 430 CG LYS A 34 -0.048 -13.927 -7.512 1.00 51.23 C ATOM 431 CD LYS A 34 0.976 -15.045 -7.408 1.00 52.23 C ATOM 432 CE LYS A 34 0.518 -16.132 -6.448 1.00 60.24 C ATOM 433 NZ LYS A 34 0.891 -15.822 -5.040 1.00 54.03 N ATOM 0 H LYS A 34 -3.053 -14.330 -10.064 1.00 71.21 H new ATOM 0 HA LYS A 34 -2.900 -13.905 -7.279 1.00 63.04 H new ATOM 0 HB2 LYS A 34 -1.342 -15.352 -8.446 1.00 13.54 H new ATOM 0 HB3 LYS A 34 -0.828 -14.049 -9.500 1.00 13.54 H new ATOM 0 HG2 LYS A 34 0.445 -13.010 -7.835 1.00 51.23 H new ATOM 0 HG3 LYS A 34 -0.474 -13.730 -6.528 1.00 51.23 H new ATOM 0 HD2 LYS A 34 1.146 -15.477 -8.394 1.00 52.23 H new ATOM 0 HD3 LYS A 34 1.929 -14.637 -7.070 1.00 52.23 H new ATOM 0 HE2 LYS A 34 -0.563 -16.248 -6.520 1.00 60.24 H new ATOM 0 HE3 LYS A 34 0.961 -17.084 -6.740 1.00 60.24 H new ATOM 0 HZ1 LYS A 34 0.561 -16.587 -4.417 1.00 54.03 H new ATOM 0 HZ2 LYS A 34 1.925 -15.736 -4.966 1.00 54.03 H new ATOM 0 HZ3 LYS A 34 0.448 -14.926 -4.753 1.00 54.03 H new ATOM 447 N LEU A 35 -2.119 -11.350 -9.197 1.00 1.54 N ATOM 448 CA LEU A 35 -1.868 -9.912 -9.195 1.00 22.52 C ATOM 449 C LEU A 35 -3.044 -9.155 -8.587 1.00 52.14 C ATOM 450 O LEU A 35 -2.871 -8.347 -7.673 1.00 71.44 O ATOM 451 CB LEU A 35 -1.609 -9.418 -10.619 1.00 71.32 C ATOM 452 CG LEU A 35 -1.664 -7.904 -10.825 1.00 32.13 C ATOM 453 CD1 LEU A 35 -0.716 -7.200 -9.866 1.00 73.40 C ATOM 454 CD2 LEU A 35 -1.329 -7.549 -12.266 1.00 2.00 C ATOM 0 H LEU A 35 -2.221 -11.759 -10.126 1.00 1.54 H new ATOM 0 HA LEU A 35 -0.984 -9.723 -8.585 1.00 22.52 H new ATOM 0 HB2 LEU A 35 -0.626 -9.772 -10.932 1.00 71.32 H new ATOM 0 HB3 LEU A 35 -2.340 -9.881 -11.281 1.00 71.32 H new ATOM 0 HG LEU A 35 -2.678 -7.565 -10.615 1.00 32.13 H new ATOM 0 HD11 LEU A 35 -0.769 -6.123 -10.027 1.00 73.40 H new ATOM 0 HD12 LEU A 35 -1.002 -7.428 -8.839 1.00 73.40 H new ATOM 0 HD13 LEU A 35 0.303 -7.544 -10.044 1.00 73.40 H new ATOM 0 HD21 LEU A 35 -1.373 -6.467 -12.394 1.00 2.00 H new ATOM 0 HD22 LEU A 35 -0.326 -7.902 -12.504 1.00 2.00 H new ATOM 0 HD23 LEU A 35 -2.048 -8.023 -12.934 1.00 2.00 H new ATOM 466 N LEU A 36 -4.241 -9.422 -9.099 1.00 44.22 N ATOM 467 CA LEU A 36 -5.447 -8.767 -8.606 1.00 32.02 C ATOM 468 C LEU A 36 -5.728 -9.161 -7.159 1.00 45.40 C ATOM 469 O LEU A 36 -6.176 -8.341 -6.358 1.00 44.21 O ATOM 470 CB LEU A 36 -6.644 -9.130 -9.486 1.00 54.11 C ATOM 471 CG LEU A 36 -6.655 -8.521 -10.889 1.00 13.13 C ATOM 472 CD1 LEU A 36 -7.766 -9.133 -11.728 1.00 14.44 C ATOM 473 CD2 LEU A 36 -6.812 -7.009 -10.813 1.00 35.24 C ATOM 0 H LEU A 36 -4.402 -10.087 -9.855 1.00 44.22 H new ATOM 0 HA LEU A 36 -5.288 -7.689 -8.646 1.00 32.02 H new ATOM 0 HB2 LEU A 36 -6.683 -10.215 -9.582 1.00 54.11 H new ATOM 0 HB3 LEU A 36 -7.554 -8.823 -8.971 1.00 54.11 H new ATOM 0 HG LEU A 36 -5.702 -8.743 -11.368 1.00 13.13 H new ATOM 0 HD11 LEU A 36 -7.758 -8.687 -12.723 1.00 14.44 H new ATOM 0 HD12 LEU A 36 -7.609 -10.208 -11.811 1.00 14.44 H new ATOM 0 HD13 LEU A 36 -8.728 -8.942 -11.253 1.00 14.44 H new ATOM 0 HD21 LEU A 36 -6.818 -6.593 -11.820 1.00 35.24 H new ATOM 0 HD22 LEU A 36 -7.750 -6.765 -10.314 1.00 35.24 H new ATOM 0 HD23 LEU A 36 -5.981 -6.585 -10.250 1.00 35.24 H new ATOM 485 N ALA A 37 -5.458 -10.420 -6.831 1.00 75.11 N ATOM 486 CA ALA A 37 -5.678 -10.921 -5.480 1.00 64.30 C ATOM 487 C ALA A 37 -4.765 -10.220 -4.480 1.00 11.13 C ATOM 488 O ALA A 37 -5.078 -10.136 -3.293 1.00 32.05 O ATOM 489 CB ALA A 37 -5.458 -12.426 -5.433 1.00 63.11 C ATOM 0 H ALA A 37 -5.087 -11.112 -7.482 1.00 75.11 H new ATOM 0 HA ALA A 37 -6.710 -10.707 -5.203 1.00 64.30 H new ATOM 0 HB1 ALA A 37 -5.626 -12.787 -4.418 1.00 63.11 H new ATOM 0 HB2 ALA A 37 -6.155 -12.917 -6.112 1.00 63.11 H new ATOM 0 HB3 ALA A 37 -4.436 -12.654 -5.735 1.00 63.11 H new ATOM 495 N ALA A 38 -3.635 -9.718 -4.967 1.00 70.42 N ATOM 496 CA ALA A 38 -2.678 -9.023 -4.116 1.00 22.24 C ATOM 497 C ALA A 38 -3.097 -7.575 -3.886 1.00 75.23 C ATOM 498 O ALA A 38 -2.890 -7.023 -2.806 1.00 53.34 O ATOM 499 CB ALA A 38 -1.287 -9.081 -4.729 1.00 44.31 C ATOM 0 H ALA A 38 -3.360 -9.780 -5.947 1.00 70.42 H new ATOM 0 HA ALA A 38 -2.658 -9.525 -3.149 1.00 22.24 H new ATOM 0 HB1 ALA A 38 -0.582 -8.558 -4.083 1.00 44.31 H new ATOM 0 HB2 ALA A 38 -0.979 -10.121 -4.835 1.00 44.31 H new ATOM 0 HB3 ALA A 38 -1.301 -8.606 -5.710 1.00 44.31 H new ATOM 505 N ALA A 39 -3.688 -6.966 -4.909 1.00 45.14 N ATOM 506 CA ALA A 39 -4.137 -5.582 -4.818 1.00 72.43 C ATOM 507 C ALA A 39 -5.432 -5.477 -4.020 1.00 32.51 C ATOM 508 O ALA A 39 -6.498 -5.221 -4.579 1.00 23.13 O ATOM 509 CB ALA A 39 -4.324 -4.995 -6.210 1.00 23.44 C ATOM 0 H ALA A 39 -3.867 -7.409 -5.810 1.00 45.14 H new ATOM 0 HA ALA A 39 -3.370 -5.011 -4.295 1.00 72.43 H new ATOM 0 HB1 ALA A 39 -4.659 -3.961 -6.127 1.00 23.44 H new ATOM 0 HB2 ALA A 39 -3.377 -5.027 -6.749 1.00 23.44 H new ATOM 0 HB3 ALA A 39 -5.070 -5.576 -6.753 1.00 23.44 H new ATOM 515 N ASN A 40 -5.332 -5.678 -2.710 1.00 32.21 N ATOM 516 CA ASN A 40 -6.497 -5.607 -1.835 1.00 24.33 C ATOM 517 C ASN A 40 -6.557 -4.262 -1.117 1.00 24.41 C ATOM 518 O ASN A 40 -7.574 -3.909 -0.520 1.00 10.12 O ATOM 519 CB ASN A 40 -6.461 -6.743 -0.811 1.00 23.55 C ATOM 520 CG ASN A 40 -6.244 -8.098 -1.457 1.00 45.00 C ATOM 521 OD1 ASN A 40 -6.852 -8.415 -2.480 1.00 5.25 O ATOM 522 ND2 ASN A 40 -5.373 -8.905 -0.861 1.00 50.25 N ATOM 0 H ASN A 40 -4.457 -5.891 -2.231 1.00 32.21 H new ATOM 0 HA ASN A 40 -7.390 -5.710 -2.451 1.00 24.33 H new ATOM 0 HB2 ASN A 40 -5.664 -6.555 -0.092 1.00 23.55 H new ATOM 0 HB3 ASN A 40 -7.397 -6.755 -0.253 1.00 23.55 H new ATOM 0 HD21 ASN A 40 -5.185 -9.829 -1.250 1.00 50.25 H new ATOM 0 HD22 ASN A 40 -4.892 -8.600 -0.015 1.00 50.25 H new ATOM 529 N THR A 41 -5.459 -3.515 -1.180 1.00 11.33 N ATOM 530 CA THR A 41 -5.386 -2.209 -0.536 1.00 62.21 C ATOM 531 C THR A 41 -5.516 -1.085 -1.557 1.00 42.30 C ATOM 532 O THR A 41 -5.428 -1.314 -2.764 1.00 11.11 O ATOM 533 CB THR A 41 -4.064 -2.037 0.235 1.00 3.53 C ATOM 534 OG1 THR A 41 -3.080 -2.948 -0.268 1.00 13.31 O ATOM 535 CG2 THR A 41 -4.270 -2.276 1.723 1.00 31.23 C ATOM 0 H THR A 41 -4.608 -3.792 -1.670 1.00 11.33 H new ATOM 0 HA THR A 41 -6.218 -2.155 0.167 1.00 62.21 H new ATOM 0 HB THR A 41 -3.717 -1.014 0.092 1.00 3.53 H new ATOM 0 HG1 THR A 41 -2.319 -2.982 0.349 1.00 13.31 H new ATOM 0 HG21 THR A 41 -3.322 -2.149 2.247 1.00 31.23 H new ATOM 0 HG22 THR A 41 -4.997 -1.561 2.109 1.00 31.23 H new ATOM 0 HG23 THR A 41 -4.639 -3.289 1.881 1.00 31.23 H new ATOM 543 N THR A 42 -5.725 0.133 -1.066 1.00 41.02 N ATOM 544 CA THR A 42 -5.867 1.294 -1.936 1.00 73.30 C ATOM 545 C THR A 42 -4.556 1.614 -2.645 1.00 32.04 C ATOM 546 O THR A 42 -4.495 1.724 -3.869 1.00 54.14 O ATOM 547 CB THR A 42 -6.328 2.534 -1.147 1.00 24.00 C ATOM 548 OG1 THR A 42 -7.748 2.502 -0.969 1.00 51.11 O ATOM 549 CG2 THR A 42 -5.930 3.813 -1.869 1.00 34.31 C ATOM 0 H THR A 42 -5.800 0.341 -0.070 1.00 41.02 H new ATOM 0 HA THR A 42 -6.625 1.042 -2.678 1.00 73.30 H new ATOM 0 HB THR A 42 -5.841 2.519 -0.172 1.00 24.00 H new ATOM 0 HG1 THR A 42 -7.976 1.848 -0.276 1.00 51.11 H new ATOM 0 HG21 THR A 42 -6.266 4.675 -1.293 1.00 34.31 H new ATOM 0 HG22 THR A 42 -4.846 3.848 -1.976 1.00 34.31 H new ATOM 0 HG23 THR A 42 -6.393 3.833 -2.856 1.00 34.31 H new ATOM 557 N PRO A 43 -3.480 1.767 -1.859 1.00 20.12 N ATOM 558 CA PRO A 43 -2.149 2.076 -2.390 1.00 72.44 C ATOM 559 C PRO A 43 -1.545 0.904 -3.157 1.00 21.24 C ATOM 560 O PRO A 43 -0.510 1.044 -3.809 1.00 74.03 O ATOM 561 CB PRO A 43 -1.326 2.375 -1.135 1.00 33.32 C ATOM 562 CG PRO A 43 -2.016 1.631 -0.044 1.00 14.43 C ATOM 563 CD PRO A 43 -3.479 1.650 -0.391 1.00 33.30 C ATOM 0 HA PRO A 43 -2.176 2.899 -3.104 1.00 72.44 H new ATOM 0 HB2 PRO A 43 -0.294 2.043 -1.250 1.00 33.32 H new ATOM 0 HB3 PRO A 43 -1.295 3.445 -0.927 1.00 33.32 H new ATOM 0 HG2 PRO A 43 -1.645 0.609 0.026 1.00 14.43 H new ATOM 0 HG3 PRO A 43 -1.838 2.102 0.923 1.00 14.43 H new ATOM 0 HD2 PRO A 43 -3.982 0.742 -0.060 1.00 33.30 H new ATOM 0 HD3 PRO A 43 -3.993 2.488 0.079 1.00 33.30 H new ATOM 571 N ASP A 44 -2.197 -0.251 -3.073 1.00 42.43 N ATOM 572 CA ASP A 44 -1.724 -1.447 -3.760 1.00 53.15 C ATOM 573 C ASP A 44 -2.274 -1.510 -5.182 1.00 34.11 C ATOM 574 O ASP A 44 -1.581 -1.929 -6.108 1.00 63.45 O ATOM 575 CB ASP A 44 -2.133 -2.701 -2.986 1.00 1.10 C ATOM 576 CG ASP A 44 -1.080 -3.132 -1.984 1.00 44.52 C ATOM 577 OD1 ASP A 44 -0.997 -4.344 -1.694 1.00 3.40 O ATOM 578 OD2 ASP A 44 -0.338 -2.257 -1.491 1.00 44.31 O ATOM 0 H ASP A 44 -3.054 -0.384 -2.536 1.00 42.43 H new ATOM 0 HA ASP A 44 -0.636 -1.400 -3.812 1.00 53.15 H new ATOM 0 HB2 ASP A 44 -3.071 -2.513 -2.464 1.00 1.10 H new ATOM 0 HB3 ASP A 44 -2.317 -3.514 -3.688 1.00 1.10 H new ATOM 583 N ARG A 45 -3.525 -1.092 -5.346 1.00 52.10 N ATOM 584 CA ARG A 45 -4.169 -1.103 -6.654 1.00 32.21 C ATOM 585 C ARG A 45 -3.665 0.048 -7.518 1.00 45.54 C ATOM 586 O ARG A 45 -3.407 -0.124 -8.709 1.00 72.24 O ATOM 587 CB ARG A 45 -5.688 -1.011 -6.499 1.00 13.01 C ATOM 588 CG ARG A 45 -6.253 -1.964 -5.458 1.00 53.03 C ATOM 589 CD ARG A 45 -7.297 -2.891 -6.061 1.00 31.43 C ATOM 590 NE ARG A 45 -8.356 -3.215 -5.109 1.00 31.43 N ATOM 591 CZ ARG A 45 -9.231 -4.198 -5.290 1.00 15.05 C ATOM 592 NH1 ARG A 45 -9.174 -4.949 -6.381 1.00 12.13 N ATOM 593 NH2 ARG A 45 -10.166 -4.431 -4.377 1.00 75.44 N ATOM 0 H ARG A 45 -4.113 -0.742 -4.589 1.00 52.10 H new ATOM 0 HA ARG A 45 -3.917 -2.042 -7.147 1.00 32.21 H new ATOM 0 HB2 ARG A 45 -5.956 0.010 -6.228 1.00 13.01 H new ATOM 0 HB3 ARG A 45 -6.156 -1.218 -7.461 1.00 13.01 H new ATOM 0 HG2 ARG A 45 -5.445 -2.555 -5.027 1.00 53.03 H new ATOM 0 HG3 ARG A 45 -6.699 -1.393 -4.644 1.00 53.03 H new ATOM 0 HD2 ARG A 45 -7.733 -2.421 -6.942 1.00 31.43 H new ATOM 0 HD3 ARG A 45 -6.816 -3.810 -6.395 1.00 31.43 H new ATOM 0 HE ARG A 45 -8.428 -2.656 -4.259 1.00 31.43 H new ATOM 0 HH11 ARG A 45 -8.457 -4.773 -7.085 1.00 12.13 H new ATOM 0 HH12 ARG A 45 -9.847 -5.703 -6.517 1.00 12.13 H new ATOM 0 HH21 ARG A 45 -10.213 -3.855 -3.536 1.00 75.44 H new ATOM 0 HH22 ARG A 45 -10.838 -5.186 -4.516 1.00 75.44 H new ATOM 607 N GLN A 46 -3.526 1.222 -6.910 1.00 34.12 N ATOM 608 CA GLN A 46 -3.054 2.402 -7.625 1.00 21.33 C ATOM 609 C GLN A 46 -1.684 2.149 -8.246 1.00 52.33 C ATOM 610 O GLN A 46 -1.481 2.378 -9.438 1.00 73.44 O ATOM 611 CB GLN A 46 -2.985 3.603 -6.680 1.00 61.20 C ATOM 612 CG GLN A 46 -4.310 3.927 -6.010 1.00 74.11 C ATOM 613 CD GLN A 46 -4.143 4.779 -4.768 1.00 14.15 C ATOM 614 OE1 GLN A 46 -3.110 4.727 -4.100 1.00 12.44 O ATOM 615 NE2 GLN A 46 -5.162 5.570 -4.451 1.00 2.14 N ATOM 0 H GLN A 46 -3.734 1.381 -5.924 1.00 34.12 H new ATOM 0 HA GLN A 46 -3.761 2.619 -8.425 1.00 21.33 H new ATOM 0 HB2 GLN A 46 -2.237 3.408 -5.912 1.00 61.20 H new ATOM 0 HB3 GLN A 46 -2.647 4.476 -7.239 1.00 61.20 H new ATOM 0 HG2 GLN A 46 -4.954 4.448 -6.719 1.00 74.11 H new ATOM 0 HG3 GLN A 46 -4.815 2.998 -5.744 1.00 74.11 H new ATOM 0 HE21 GLN A 46 -5.999 5.581 -5.033 1.00 2.14 H new ATOM 0 HE22 GLN A 46 -5.107 6.166 -3.625 1.00 2.14 H new ATOM 624 N ALA A 47 -0.747 1.677 -7.430 1.00 55.33 N ATOM 625 CA ALA A 47 0.602 1.392 -7.901 1.00 4.44 C ATOM 626 C ALA A 47 0.596 0.285 -8.949 1.00 23.34 C ATOM 627 O ALA A 47 1.218 0.412 -10.003 1.00 71.40 O ATOM 628 CB ALA A 47 1.499 1.011 -6.732 1.00 10.01 C ATOM 0 H ALA A 47 -0.898 1.484 -6.440 1.00 55.33 H new ATOM 0 HA ALA A 47 0.996 2.295 -8.368 1.00 4.44 H new ATOM 0 HB1 ALA A 47 2.504 0.801 -7.098 1.00 10.01 H new ATOM 0 HB2 ALA A 47 1.537 1.835 -6.019 1.00 10.01 H new ATOM 0 HB3 ALA A 47 1.099 0.124 -6.240 1.00 10.01 H new ATOM 634 N ALA A 48 -0.109 -0.801 -8.651 1.00 33.43 N ATOM 635 CA ALA A 48 -0.197 -1.931 -9.568 1.00 40.31 C ATOM 636 C ALA A 48 -0.597 -1.472 -10.966 1.00 73.43 C ATOM 637 O ALA A 48 0.104 -1.739 -11.943 1.00 1.12 O ATOM 638 CB ALA A 48 -1.187 -2.960 -9.044 1.00 72.44 C ATOM 0 H ALA A 48 -0.628 -0.922 -7.781 1.00 33.43 H new ATOM 0 HA ALA A 48 0.788 -2.393 -9.633 1.00 40.31 H new ATOM 0 HB1 ALA A 48 -1.243 -3.798 -9.739 1.00 72.44 H new ATOM 0 HB2 ALA A 48 -0.857 -3.318 -8.069 1.00 72.44 H new ATOM 0 HB3 ALA A 48 -2.172 -2.502 -8.949 1.00 72.44 H new ATOM 644 N CYS A 49 -1.729 -0.782 -11.056 1.00 73.43 N ATOM 645 CA CYS A 49 -2.224 -0.288 -12.335 1.00 53.42 C ATOM 646 C CYS A 49 -1.235 0.693 -12.959 1.00 31.21 C ATOM 647 O CYS A 49 -0.736 0.470 -14.061 1.00 21.22 O ATOM 648 CB CYS A 49 -3.584 0.390 -12.152 1.00 62.20 C ATOM 649 SG CYS A 49 -4.333 0.984 -13.702 1.00 74.04 S ATOM 0 H CYS A 49 -2.321 -0.552 -10.258 1.00 73.43 H new ATOM 0 HA CYS A 49 -2.337 -1.140 -13.006 1.00 53.42 H new ATOM 0 HB2 CYS A 49 -4.268 -0.314 -11.677 1.00 62.20 H new ATOM 0 HB3 CYS A 49 -3.469 1.233 -11.470 1.00 62.20 H new ATOM 654 N ASN A 50 -0.957 1.779 -12.245 1.00 30.21 N ATOM 655 CA ASN A 50 -0.028 2.794 -12.728 1.00 61.20 C ATOM 656 C ASN A 50 1.250 2.152 -13.261 1.00 12.44 C ATOM 657 O ASN A 50 1.781 2.565 -14.292 1.00 63.41 O ATOM 658 CB ASN A 50 0.311 3.779 -11.608 1.00 4.03 C ATOM 659 CG ASN A 50 -0.905 4.542 -11.120 1.00 75.51 C ATOM 660 OD1 ASN A 50 -1.879 4.713 -11.853 1.00 74.34 O ATOM 661 ND2 ASN A 50 -0.854 5.004 -9.876 1.00 75.13 N ATOM 0 H ASN A 50 -1.362 1.979 -11.330 1.00 30.21 H new ATOM 0 HA ASN A 50 -0.510 3.334 -13.543 1.00 61.20 H new ATOM 0 HB2 ASN A 50 0.755 3.237 -10.773 1.00 4.03 H new ATOM 0 HB3 ASN A 50 1.061 4.485 -11.964 1.00 4.03 H new ATOM 0 HD21 ASN A 50 -1.643 5.524 -9.492 1.00 75.13 H new ATOM 0 HD22 ASN A 50 -0.026 4.839 -9.304 1.00 75.13 H new ATOM 668 N CYS A 51 1.738 1.141 -12.551 1.00 32.24 N ATOM 669 CA CYS A 51 2.953 0.441 -12.950 1.00 53.14 C ATOM 670 C CYS A 51 2.811 -0.134 -14.357 1.00 22.44 C ATOM 671 O CYS A 51 3.711 -0.002 -15.187 1.00 62.01 O ATOM 672 CB CYS A 51 3.271 -0.679 -11.958 1.00 72.54 C ATOM 673 SG CYS A 51 4.347 -0.169 -10.580 1.00 13.11 S ATOM 0 H CYS A 51 1.310 0.788 -11.695 1.00 32.24 H new ATOM 0 HA CYS A 51 3.773 1.159 -12.951 1.00 53.14 H new ATOM 0 HB2 CYS A 51 2.337 -1.066 -11.551 1.00 72.54 H new ATOM 0 HB3 CYS A 51 3.749 -1.499 -12.494 1.00 72.54 H new ATOM 678 N LEU A 52 1.676 -0.773 -14.617 1.00 31.33 N ATOM 679 CA LEU A 52 1.415 -1.369 -15.922 1.00 62.34 C ATOM 680 C LEU A 52 1.103 -0.295 -16.959 1.00 13.31 C ATOM 681 O LEU A 52 1.425 -0.441 -18.138 1.00 60.41 O ATOM 682 CB LEU A 52 0.252 -2.359 -15.830 1.00 42.33 C ATOM 683 CG LEU A 52 0.456 -3.548 -14.891 1.00 73.11 C ATOM 684 CD1 LEU A 52 -0.696 -4.532 -15.019 1.00 75.51 C ATOM 685 CD2 LEU A 52 1.782 -4.236 -15.181 1.00 12.30 C ATOM 0 H LEU A 52 0.921 -0.892 -13.941 1.00 31.33 H new ATOM 0 HA LEU A 52 2.313 -1.901 -16.236 1.00 62.34 H new ATOM 0 HB2 LEU A 52 -0.637 -1.816 -15.508 1.00 42.33 H new ATOM 0 HB3 LEU A 52 0.047 -2.742 -16.830 1.00 42.33 H new ATOM 0 HG LEU A 52 0.479 -3.177 -13.866 1.00 73.11 H new ATOM 0 HD11 LEU A 52 -0.534 -5.372 -14.343 1.00 75.51 H new ATOM 0 HD12 LEU A 52 -1.630 -4.034 -14.761 1.00 75.51 H new ATOM 0 HD13 LEU A 52 -0.751 -4.897 -16.045 1.00 75.51 H new ATOM 0 HD21 LEU A 52 1.910 -5.080 -14.503 1.00 12.30 H new ATOM 0 HD22 LEU A 52 1.789 -4.594 -16.211 1.00 12.30 H new ATOM 0 HD23 LEU A 52 2.598 -3.528 -15.037 1.00 12.30 H new ATOM 697 N LYS A 53 0.475 0.787 -16.511 1.00 14.10 N ATOM 698 CA LYS A 53 0.121 1.889 -17.398 1.00 1.34 C ATOM 699 C LYS A 53 1.371 2.536 -17.986 1.00 53.42 C ATOM 700 O LYS A 53 1.387 2.930 -19.152 1.00 52.14 O ATOM 701 CB LYS A 53 -0.700 2.936 -16.641 1.00 52.04 C ATOM 702 CG LYS A 53 -1.895 2.356 -15.905 1.00 31.41 C ATOM 703 CD LYS A 53 -3.187 3.048 -16.305 1.00 50.21 C ATOM 704 CE LYS A 53 -3.906 2.291 -17.412 1.00 5.33 C ATOM 705 NZ LYS A 53 -3.141 2.318 -18.689 1.00 42.52 N ATOM 0 H LYS A 53 0.201 0.924 -15.538 1.00 14.10 H new ATOM 0 HA LYS A 53 -0.478 1.487 -18.215 1.00 1.34 H new ATOM 0 HB2 LYS A 53 -0.054 3.444 -15.925 1.00 52.04 H new ATOM 0 HB3 LYS A 53 -1.049 3.691 -17.346 1.00 52.04 H new ATOM 0 HG2 LYS A 53 -1.972 1.290 -16.118 1.00 31.41 H new ATOM 0 HG3 LYS A 53 -1.745 2.457 -14.830 1.00 31.41 H new ATOM 0 HD2 LYS A 53 -3.840 3.131 -15.436 1.00 50.21 H new ATOM 0 HD3 LYS A 53 -2.969 4.063 -16.639 1.00 50.21 H new ATOM 0 HE2 LYS A 53 -4.061 1.257 -17.103 1.00 5.33 H new ATOM 0 HE3 LYS A 53 -4.892 2.728 -17.570 1.00 5.33 H new ATOM 0 HZ1 LYS A 53 -3.800 2.240 -19.490 1.00 42.52 H new ATOM 0 HZ2 LYS A 53 -2.614 3.212 -18.759 1.00 42.52 H new ATOM 0 HZ3 LYS A 53 -2.474 1.520 -18.711 1.00 42.52 H new ATOM 719 N SER A 54 2.416 2.642 -17.172 1.00 63.13 N ATOM 720 CA SER A 54 3.670 3.243 -17.612 1.00 53.42 C ATOM 721 C SER A 54 4.440 2.291 -18.522 1.00 75.11 C ATOM 722 O SER A 54 4.972 2.696 -19.555 1.00 4.25 O ATOM 723 CB SER A 54 4.530 3.620 -16.405 1.00 3.52 C ATOM 724 OG SER A 54 5.618 4.443 -16.791 1.00 21.43 O ATOM 0 H SER A 54 2.420 2.320 -16.204 1.00 63.13 H new ATOM 0 HA SER A 54 3.433 4.145 -18.177 1.00 53.42 H new ATOM 0 HB2 SER A 54 3.919 4.141 -15.668 1.00 3.52 H new ATOM 0 HB3 SER A 54 4.906 2.716 -15.926 1.00 3.52 H new ATOM 0 HG SER A 54 6.152 4.671 -16.001 1.00 21.43 H new ATOM 730 N ALA A 55 4.493 1.022 -18.130 1.00 51.12 N ATOM 731 CA ALA A 55 5.195 0.011 -18.910 1.00 60.42 C ATOM 732 C ALA A 55 4.460 -0.286 -20.213 1.00 20.20 C ATOM 733 O ALA A 55 5.011 -0.909 -21.120 1.00 25.23 O ATOM 734 CB ALA A 55 5.362 -1.263 -18.095 1.00 4.15 C ATOM 0 H ALA A 55 4.058 0.670 -17.277 1.00 51.12 H new ATOM 0 HA ALA A 55 6.181 0.402 -19.160 1.00 60.42 H new ATOM 0 HB1 ALA A 55 5.888 -2.009 -18.690 1.00 4.15 H new ATOM 0 HB2 ALA A 55 5.937 -1.046 -17.195 1.00 4.15 H new ATOM 0 HB3 ALA A 55 4.381 -1.647 -17.816 1.00 4.15 H new ATOM 740 N ALA A 56 3.212 0.163 -20.299 1.00 3.44 N ATOM 741 CA ALA A 56 2.403 -0.053 -21.491 1.00 75.21 C ATOM 742 C ALA A 56 2.714 0.986 -22.563 1.00 5.04 C ATOM 743 O ALA A 56 2.574 0.723 -23.756 1.00 72.21 O ATOM 744 CB ALA A 56 0.923 -0.022 -21.137 1.00 41.53 C ATOM 0 H ALA A 56 2.740 0.679 -19.557 1.00 3.44 H new ATOM 0 HA ALA A 56 2.649 -1.036 -21.893 1.00 75.21 H new ATOM 0 HB1 ALA A 56 0.330 -0.185 -22.037 1.00 41.53 H new ATOM 0 HB2 ALA A 56 0.706 -0.807 -20.412 1.00 41.53 H new ATOM 0 HB3 ALA A 56 0.672 0.948 -20.708 1.00 41.53 H new ATOM 750 N GLY A 57 3.138 2.169 -22.128 1.00 24.01 N ATOM 751 CA GLY A 57 3.463 3.230 -23.063 1.00 53.22 C ATOM 752 C GLY A 57 4.628 2.873 -23.964 1.00 41.01 C ATOM 753 O GLY A 57 4.769 3.424 -25.056 1.00 21.12 O ATOM 0 H GLY A 57 3.262 2.411 -21.145 1.00 24.01 H new ATOM 0 HA2 GLY A 57 2.589 3.451 -23.675 1.00 53.22 H new ATOM 0 HA3 GLY A 57 3.701 4.138 -22.509 1.00 53.22 H new ATOM 757 N SER A 58 5.467 1.949 -23.506 1.00 11.31 N ATOM 758 CA SER A 58 6.630 1.523 -24.276 1.00 14.21 C ATOM 759 C SER A 58 6.270 0.373 -25.211 1.00 71.14 C ATOM 760 O SER A 58 7.109 -0.107 -25.974 1.00 41.54 O ATOM 761 CB SER A 58 7.761 1.098 -23.338 1.00 30.00 C ATOM 762 OG SER A 58 8.515 2.218 -22.908 1.00 42.01 O ATOM 0 H SER A 58 5.363 1.481 -22.606 1.00 11.31 H new ATOM 0 HA SER A 58 6.966 2.367 -24.879 1.00 14.21 H new ATOM 0 HB2 SER A 58 7.345 0.582 -22.473 1.00 30.00 H new ATOM 0 HB3 SER A 58 8.414 0.390 -23.848 1.00 30.00 H new ATOM 0 HG SER A 58 9.230 1.920 -22.308 1.00 42.01 H new ATOM 768 N ILE A 59 5.017 -0.065 -25.146 1.00 50.41 N ATOM 769 CA ILE A 59 4.545 -1.157 -25.987 1.00 61.44 C ATOM 770 C ILE A 59 3.659 -0.640 -27.115 1.00 40.23 C ATOM 771 O ILE A 59 2.598 -0.064 -26.873 1.00 33.25 O ATOM 772 CB ILE A 59 3.759 -2.199 -25.169 1.00 43.11 C ATOM 773 CG1 ILE A 59 4.392 -2.377 -23.787 1.00 53.32 C ATOM 774 CG2 ILE A 59 3.710 -3.527 -25.910 1.00 10.12 C ATOM 775 CD1 ILE A 59 3.688 -3.404 -22.928 1.00 41.13 C ATOM 0 H ILE A 59 4.311 0.320 -24.519 1.00 50.41 H new ATOM 0 HA ILE A 59 5.429 -1.632 -26.412 1.00 61.44 H new ATOM 0 HB ILE A 59 2.738 -1.841 -25.037 1.00 43.11 H new ATOM 0 HG12 ILE A 59 5.435 -2.670 -23.909 1.00 53.32 H new ATOM 0 HG13 ILE A 59 4.389 -1.418 -23.269 1.00 53.32 H new ATOM 0 HG21 ILE A 59 3.151 -4.253 -25.319 1.00 10.12 H new ATOM 0 HG22 ILE A 59 3.219 -3.388 -26.873 1.00 10.12 H new ATOM 0 HG23 ILE A 59 4.724 -3.893 -26.069 1.00 10.12 H new ATOM 0 HD11 ILE A 59 4.190 -3.478 -21.964 1.00 41.13 H new ATOM 0 HD12 ILE A 59 2.652 -3.102 -22.775 1.00 41.13 H new ATOM 0 HD13 ILE A 59 3.714 -4.374 -23.425 1.00 41.13 H new ATOM 787 N THR A 60 4.101 -0.850 -28.352 1.00 12.24 N ATOM 788 CA THR A 60 3.348 -0.406 -29.518 1.00 2.51 C ATOM 789 C THR A 60 2.382 -1.485 -29.992 1.00 53.44 C ATOM 790 O THR A 60 1.337 -1.186 -30.571 1.00 34.12 O ATOM 791 CB THR A 60 4.285 -0.025 -30.680 1.00 4.14 C ATOM 792 OG1 THR A 60 3.579 0.770 -31.639 1.00 31.42 O ATOM 793 CG2 THR A 60 4.842 -1.269 -31.355 1.00 43.24 C ATOM 0 H THR A 60 4.977 -1.325 -28.571 1.00 12.24 H new ATOM 0 HA THR A 60 2.783 0.475 -29.213 1.00 2.51 H new ATOM 0 HB THR A 60 5.116 0.552 -30.274 1.00 4.14 H new ATOM 0 HG1 THR A 60 4.182 1.009 -32.373 1.00 31.42 H new ATOM 0 HG21 THR A 60 5.501 -0.975 -32.172 1.00 43.24 H new ATOM 0 HG22 THR A 60 5.404 -1.856 -30.629 1.00 43.24 H new ATOM 0 HG23 THR A 60 4.021 -1.868 -31.748 1.00 43.24 H new ATOM 801 N LYS A 61 2.736 -2.741 -29.744 1.00 3.32 N ATOM 802 CA LYS A 61 1.900 -3.866 -30.144 1.00 14.14 C ATOM 803 C LYS A 61 0.868 -4.187 -29.066 1.00 44.14 C ATOM 804 O LYS A 61 0.171 -5.199 -29.142 1.00 61.51 O ATOM 805 CB LYS A 61 2.764 -5.098 -30.420 1.00 41.02 C ATOM 806 CG LYS A 61 3.750 -4.906 -31.560 1.00 12.12 C ATOM 807 CD LYS A 61 4.327 -6.232 -32.027 1.00 4.51 C ATOM 808 CE LYS A 61 5.569 -6.609 -31.234 1.00 1.14 C ATOM 809 NZ LYS A 61 5.226 -7.132 -29.882 1.00 62.02 N ATOM 0 H LYS A 61 3.598 -3.006 -29.267 1.00 3.32 H new ATOM 0 HA LYS A 61 1.373 -3.588 -31.057 1.00 14.14 H new ATOM 0 HB2 LYS A 61 3.314 -5.356 -29.515 1.00 41.02 H new ATOM 0 HB3 LYS A 61 2.115 -5.943 -30.651 1.00 41.02 H new ATOM 0 HG2 LYS A 61 3.252 -4.411 -32.394 1.00 12.12 H new ATOM 0 HG3 LYS A 61 4.558 -4.250 -31.237 1.00 12.12 H new ATOM 0 HD2 LYS A 61 3.575 -7.014 -31.922 1.00 4.51 H new ATOM 0 HD3 LYS A 61 4.576 -6.169 -33.086 1.00 4.51 H new ATOM 0 HE2 LYS A 61 6.135 -7.362 -31.782 1.00 1.14 H new ATOM 0 HE3 LYS A 61 6.214 -5.736 -31.133 1.00 1.14 H new ATOM 0 HZ1 LYS A 61 5.940 -7.828 -29.588 1.00 62.02 H new ATOM 0 HZ2 LYS A 61 5.207 -6.347 -29.201 1.00 62.02 H new ATOM 0 HZ3 LYS A 61 4.291 -7.587 -29.913 1.00 62.02 H new ATOM 823 N LEU A 62 0.776 -3.319 -28.065 1.00 54.54 N ATOM 824 CA LEU A 62 -0.172 -3.509 -26.973 1.00 13.21 C ATOM 825 C LEU A 62 -1.609 -3.409 -27.475 1.00 72.11 C ATOM 826 O LEU A 62 -1.989 -2.425 -28.107 1.00 51.34 O ATOM 827 CB LEU A 62 0.069 -2.471 -25.875 1.00 65.32 C ATOM 828 CG LEU A 62 -0.937 -2.465 -24.724 1.00 54.34 C ATOM 829 CD1 LEU A 62 -0.781 -3.713 -23.871 1.00 25.53 C ATOM 830 CD2 LEU A 62 -0.770 -1.212 -23.876 1.00 62.34 C ATOM 0 H LEU A 62 1.346 -2.477 -27.987 1.00 54.54 H new ATOM 0 HA LEU A 62 -0.018 -4.507 -26.562 1.00 13.21 H new ATOM 0 HB2 LEU A 62 1.064 -2.634 -25.461 1.00 65.32 H new ATOM 0 HB3 LEU A 62 0.073 -1.482 -26.333 1.00 65.32 H new ATOM 0 HG LEU A 62 -1.942 -2.463 -25.146 1.00 54.34 H new ATOM 0 HD11 LEU A 62 -1.506 -3.690 -23.057 1.00 25.53 H new ATOM 0 HD12 LEU A 62 -0.952 -4.597 -24.485 1.00 25.53 H new ATOM 0 HD13 LEU A 62 0.227 -3.748 -23.458 1.00 25.53 H new ATOM 0 HD21 LEU A 62 -1.494 -1.225 -23.062 1.00 62.34 H new ATOM 0 HD22 LEU A 62 0.239 -1.183 -23.464 1.00 62.34 H new ATOM 0 HD23 LEU A 62 -0.935 -0.330 -24.494 1.00 62.34 H new ATOM 842 N ASN A 63 -2.404 -4.435 -27.187 1.00 2.21 N ATOM 843 CA ASN A 63 -3.800 -4.462 -27.608 1.00 1.11 C ATOM 844 C ASN A 63 -4.729 -4.197 -26.427 1.00 53.04 C ATOM 845 O ASN A 63 -5.077 -5.111 -25.679 1.00 1.25 O ATOM 846 CB ASN A 63 -4.136 -5.812 -28.243 1.00 74.44 C ATOM 847 CG ASN A 63 -3.409 -6.031 -29.556 1.00 54.12 C ATOM 848 OD1 ASN A 63 -2.187 -6.171 -29.586 1.00 3.24 O ATOM 849 ND2 ASN A 63 -4.161 -6.061 -30.651 1.00 0.24 N ATOM 0 H ASN A 63 -2.105 -5.258 -26.664 1.00 2.21 H new ATOM 0 HA ASN A 63 -3.947 -3.674 -28.347 1.00 1.11 H new ATOM 0 HB2 ASN A 63 -3.876 -6.611 -27.549 1.00 74.44 H new ATOM 0 HB3 ASN A 63 -5.211 -5.874 -28.412 1.00 74.44 H new ATOM 0 HD21 ASN A 63 -3.728 -6.205 -31.563 1.00 0.24 H new ATOM 0 HD22 ASN A 63 -5.171 -5.940 -30.579 1.00 0.24 H new ATOM 856 N THR A 64 -5.130 -2.939 -26.267 1.00 24.42 N ATOM 857 CA THR A 64 -6.018 -2.553 -25.178 1.00 30.20 C ATOM 858 C THR A 64 -7.264 -3.431 -25.147 1.00 50.14 C ATOM 859 O THR A 64 -7.881 -3.613 -24.099 1.00 3.14 O ATOM 860 CB THR A 64 -6.446 -1.078 -25.298 1.00 63.31 C ATOM 861 OG1 THR A 64 -7.288 -0.904 -26.443 1.00 34.33 O ATOM 862 CG2 THR A 64 -5.231 -0.170 -25.414 1.00 23.22 C ATOM 0 H THR A 64 -4.853 -2.171 -26.878 1.00 24.42 H new ATOM 0 HA THR A 64 -5.459 -2.687 -24.252 1.00 30.20 H new ATOM 0 HB THR A 64 -6.997 -0.808 -24.397 1.00 63.31 H new ATOM 0 HG1 THR A 64 -7.557 0.036 -26.511 1.00 34.33 H new ATOM 0 HG21 THR A 64 -5.558 0.866 -25.498 1.00 23.22 H new ATOM 0 HG22 THR A 64 -4.606 -0.283 -24.528 1.00 23.22 H new ATOM 0 HG23 THR A 64 -4.657 -0.442 -26.300 1.00 23.22 H new ATOM 870 N ASN A 65 -7.629 -3.973 -26.305 1.00 23.44 N ATOM 871 CA ASN A 65 -8.802 -4.833 -26.410 1.00 11.03 C ATOM 872 C ASN A 65 -8.618 -6.107 -25.590 1.00 54.15 C ATOM 873 O ASN A 65 -9.527 -6.538 -24.882 1.00 52.13 O ATOM 874 CB ASN A 65 -9.070 -5.189 -27.873 1.00 40.25 C ATOM 875 CG ASN A 65 -9.995 -4.196 -28.550 1.00 11.31 C ATOM 876 OD1 ASN A 65 -10.754 -3.487 -27.888 1.00 60.23 O ATOM 877 ND2 ASN A 65 -9.936 -4.140 -29.875 1.00 62.24 N ATOM 0 H ASN A 65 -7.129 -3.832 -27.183 1.00 23.44 H new ATOM 0 HA ASN A 65 -9.658 -4.287 -26.013 1.00 11.03 H new ATOM 0 HB2 ASN A 65 -8.124 -5.227 -28.414 1.00 40.25 H new ATOM 0 HB3 ASN A 65 -9.509 -6.185 -27.927 1.00 40.25 H new ATOM 0 HD21 ASN A 65 -10.535 -3.491 -30.385 1.00 62.24 H new ATOM 0 HD22 ASN A 65 -9.292 -4.746 -30.383 1.00 62.24 H new ATOM 884 N ASN A 66 -7.435 -6.704 -25.692 1.00 73.05 N ATOM 885 CA ASN A 66 -7.132 -7.929 -24.961 1.00 43.30 C ATOM 886 C ASN A 66 -6.880 -7.633 -23.486 1.00 1.24 C ATOM 887 O ASN A 66 -7.032 -8.506 -22.632 1.00 71.32 O ATOM 888 CB ASN A 66 -5.911 -8.621 -25.569 1.00 63.44 C ATOM 889 CG ASN A 66 -6.042 -8.814 -27.068 1.00 11.30 C ATOM 890 OD1 ASN A 66 -6.151 -7.847 -27.822 1.00 14.31 O ATOM 891 ND2 ASN A 66 -6.032 -10.067 -27.507 1.00 32.25 N ATOM 0 H ASN A 66 -6.671 -6.360 -26.273 1.00 73.05 H new ATOM 0 HA ASN A 66 -7.994 -8.592 -25.039 1.00 43.30 H new ATOM 0 HB2 ASN A 66 -5.020 -8.030 -25.358 1.00 63.44 H new ATOM 0 HB3 ASN A 66 -5.771 -9.591 -25.091 1.00 63.44 H new ATOM 0 HD21 ASN A 66 -6.117 -10.258 -28.505 1.00 32.25 H new ATOM 0 HD22 ASN A 66 -5.940 -10.838 -26.846 1.00 32.25 H new ATOM 898 N ALA A 67 -6.494 -6.395 -23.193 1.00 74.04 N ATOM 899 CA ALA A 67 -6.224 -5.983 -21.822 1.00 11.14 C ATOM 900 C ALA A 67 -7.518 -5.827 -21.030 1.00 72.11 C ATOM 901 O ALA A 67 -7.563 -6.112 -19.834 1.00 33.31 O ATOM 902 CB ALA A 67 -5.434 -4.682 -21.807 1.00 75.42 C ATOM 0 H ALA A 67 -6.361 -5.660 -23.888 1.00 74.04 H new ATOM 0 HA ALA A 67 -5.629 -6.762 -21.346 1.00 11.14 H new ATOM 0 HB1 ALA A 67 -5.240 -4.386 -20.776 1.00 75.42 H new ATOM 0 HB2 ALA A 67 -4.487 -4.825 -22.328 1.00 75.42 H new ATOM 0 HB3 ALA A 67 -6.009 -3.902 -22.306 1.00 75.42 H new ATOM 908 N ALA A 68 -8.568 -5.372 -21.706 1.00 34.14 N ATOM 909 CA ALA A 68 -9.864 -5.180 -21.065 1.00 44.32 C ATOM 910 C ALA A 68 -10.569 -6.513 -20.841 1.00 62.14 C ATOM 911 O ALA A 68 -11.174 -6.738 -19.794 1.00 2.24 O ATOM 912 CB ALA A 68 -10.734 -4.254 -21.902 1.00 61.14 C ATOM 0 H ALA A 68 -8.547 -5.130 -22.697 1.00 34.14 H new ATOM 0 HA ALA A 68 -9.696 -4.721 -20.091 1.00 44.32 H new ATOM 0 HB1 ALA A 68 -11.698 -4.119 -21.412 1.00 61.14 H new ATOM 0 HB2 ALA A 68 -10.241 -3.287 -22.006 1.00 61.14 H new ATOM 0 HB3 ALA A 68 -10.886 -4.691 -22.889 1.00 61.14 H new ATOM 918 N ALA A 69 -10.487 -7.394 -21.833 1.00 71.20 N ATOM 919 CA ALA A 69 -11.117 -8.706 -21.743 1.00 44.22 C ATOM 920 C ALA A 69 -10.199 -9.709 -21.052 1.00 14.34 C ATOM 921 O ALA A 69 -10.601 -10.837 -20.765 1.00 24.44 O ATOM 922 CB ALA A 69 -11.497 -9.204 -23.129 1.00 73.53 C ATOM 0 H ALA A 69 -9.991 -7.223 -22.708 1.00 71.20 H new ATOM 0 HA ALA A 69 -12.022 -8.608 -21.143 1.00 44.22 H new ATOM 0 HB1 ALA A 69 -11.966 -10.184 -23.047 1.00 73.53 H new ATOM 0 HB2 ALA A 69 -12.195 -8.504 -23.588 1.00 73.53 H new ATOM 0 HB3 ALA A 69 -10.602 -9.281 -23.746 1.00 73.53 H new ATOM 928 N LEU A 70 -8.966 -9.291 -20.787 1.00 14.11 N ATOM 929 CA LEU A 70 -7.991 -10.153 -20.129 1.00 31.41 C ATOM 930 C LEU A 70 -8.516 -10.641 -18.782 1.00 72.15 C ATOM 931 O LEU A 70 -8.652 -11.840 -18.539 1.00 22.32 O ATOM 932 CB LEU A 70 -6.670 -9.407 -19.934 1.00 53.20 C ATOM 933 CG LEU A 70 -5.832 -9.830 -18.727 1.00 42.13 C ATOM 934 CD1 LEU A 70 -5.442 -11.296 -18.836 1.00 13.03 C ATOM 935 CD2 LEU A 70 -4.593 -8.955 -18.605 1.00 50.44 C ATOM 0 H LEU A 70 -8.618 -8.360 -21.018 1.00 14.11 H new ATOM 0 HA LEU A 70 -7.821 -11.020 -20.768 1.00 31.41 H new ATOM 0 HB2 LEU A 70 -6.067 -9.536 -20.833 1.00 53.20 H new ATOM 0 HB3 LEU A 70 -6.887 -8.342 -19.845 1.00 53.20 H new ATOM 0 HG LEU A 70 -6.434 -9.701 -17.828 1.00 42.13 H new ATOM 0 HD11 LEU A 70 -4.846 -11.579 -17.968 1.00 13.03 H new ATOM 0 HD12 LEU A 70 -6.342 -11.910 -18.874 1.00 13.03 H new ATOM 0 HD13 LEU A 70 -4.858 -11.451 -19.743 1.00 13.03 H new ATOM 0 HD21 LEU A 70 -4.009 -9.270 -17.741 1.00 50.44 H new ATOM 0 HD22 LEU A 70 -3.989 -9.052 -19.507 1.00 50.44 H new ATOM 0 HD23 LEU A 70 -4.893 -7.915 -18.480 1.00 50.44 H new ATOM 947 N PRO A 71 -8.821 -9.691 -17.887 1.00 13.44 N ATOM 948 CA PRO A 71 -9.339 -9.999 -16.550 1.00 73.34 C ATOM 949 C PRO A 71 -10.759 -10.553 -16.593 1.00 15.11 C ATOM 950 O PRO A 71 -11.175 -11.292 -15.702 1.00 23.52 O ATOM 951 CB PRO A 71 -9.315 -8.644 -15.839 1.00 24.33 C ATOM 952 CG PRO A 71 -9.405 -7.639 -16.935 1.00 23.14 C ATOM 953 CD PRO A 71 -8.685 -8.241 -18.109 1.00 64.42 C ATOM 0 HA PRO A 71 -8.749 -10.768 -16.051 1.00 73.34 H new ATOM 0 HB2 PRO A 71 -10.149 -8.547 -15.144 1.00 24.33 H new ATOM 0 HB3 PRO A 71 -8.400 -8.517 -15.260 1.00 24.33 H new ATOM 0 HG2 PRO A 71 -10.444 -7.424 -17.183 1.00 23.14 H new ATOM 0 HG3 PRO A 71 -8.947 -6.696 -16.638 1.00 23.14 H new ATOM 0 HD2 PRO A 71 -9.133 -7.936 -19.055 1.00 64.42 H new ATOM 0 HD3 PRO A 71 -7.639 -7.935 -18.138 1.00 64.42 H new ATOM 961 N GLY A 72 -11.501 -10.190 -17.635 1.00 44.25 N ATOM 962 CA GLY A 72 -12.866 -10.660 -17.774 1.00 55.04 C ATOM 963 C GLY A 72 -12.939 -12.110 -18.210 1.00 20.11 C ATOM 964 O GLY A 72 -13.711 -12.894 -17.658 1.00 71.41 O ATOM 0 H GLY A 72 -11.180 -9.578 -18.386 1.00 44.25 H new ATOM 0 HA2 GLY A 72 -13.386 -10.543 -16.823 1.00 55.04 H new ATOM 0 HA3 GLY A 72 -13.389 -10.039 -18.501 1.00 55.04 H new ATOM 968 N LYS A 73 -12.134 -12.468 -19.204 1.00 61.43 N ATOM 969 CA LYS A 73 -12.109 -13.834 -19.715 1.00 52.12 C ATOM 970 C LYS A 73 -11.507 -14.788 -18.689 1.00 30.02 C ATOM 971 O LYS A 73 -11.681 -16.004 -18.779 1.00 42.23 O ATOM 972 CB LYS A 73 -11.309 -13.898 -21.018 1.00 71.42 C ATOM 973 CG LYS A 73 -12.122 -13.538 -22.250 1.00 1.25 C ATOM 974 CD LYS A 73 -11.245 -13.435 -23.486 1.00 70.42 C ATOM 975 CE LYS A 73 -11.992 -12.799 -24.648 1.00 73.12 C ATOM 976 NZ LYS A 73 -11.651 -13.444 -25.947 1.00 13.15 N ATOM 0 H LYS A 73 -11.490 -11.831 -19.672 1.00 61.43 H new ATOM 0 HA LYS A 73 -13.136 -14.141 -19.911 1.00 52.12 H new ATOM 0 HB2 LYS A 73 -10.457 -13.222 -20.945 1.00 71.42 H new ATOM 0 HB3 LYS A 73 -10.908 -14.904 -21.139 1.00 71.42 H new ATOM 0 HG2 LYS A 73 -12.893 -14.292 -22.411 1.00 1.25 H new ATOM 0 HG3 LYS A 73 -12.633 -12.589 -22.085 1.00 1.25 H new ATOM 0 HD2 LYS A 73 -10.358 -12.845 -23.256 1.00 70.42 H new ATOM 0 HD3 LYS A 73 -10.901 -14.429 -23.773 1.00 70.42 H new ATOM 0 HE2 LYS A 73 -13.065 -12.876 -24.475 1.00 73.12 H new ATOM 0 HE3 LYS A 73 -11.752 -11.737 -24.696 1.00 73.12 H new ATOM 0 HZ1 LYS A 73 -12.181 -12.982 -26.714 1.00 13.15 H new ATOM 0 HZ2 LYS A 73 -10.631 -13.349 -26.125 1.00 13.15 H new ATOM 0 HZ3 LYS A 73 -11.903 -14.452 -25.911 1.00 13.15 H new ATOM 990 N CYS A 74 -10.800 -14.230 -17.712 1.00 43.32 N ATOM 991 CA CYS A 74 -10.173 -15.030 -16.668 1.00 25.24 C ATOM 992 C CYS A 74 -11.087 -15.151 -15.452 1.00 1.42 C ATOM 993 O CYS A 74 -10.636 -15.464 -14.351 1.00 4.10 O ATOM 994 CB CYS A 74 -8.836 -14.411 -16.255 1.00 22.02 C ATOM 995 SG CYS A 74 -7.501 -14.643 -17.473 1.00 31.33 S ATOM 0 H CYS A 74 -10.647 -13.226 -17.622 1.00 43.32 H new ATOM 0 HA CYS A 74 -9.995 -16.028 -17.068 1.00 25.24 H new ATOM 0 HB2 CYS A 74 -8.979 -13.343 -16.087 1.00 22.02 H new ATOM 0 HB3 CYS A 74 -8.525 -14.845 -15.304 1.00 22.02 H new ATOM 1000 N GLY A 75 -12.376 -14.899 -15.660 1.00 61.52 N ATOM 1001 CA GLY A 75 -13.334 -14.985 -14.573 1.00 45.12 C ATOM 1002 C GLY A 75 -12.900 -14.193 -13.355 1.00 74.23 C ATOM 1003 O GLY A 75 -12.616 -14.765 -12.303 1.00 35.03 O ATOM 0 H GLY A 75 -12.774 -14.637 -16.562 1.00 61.52 H new ATOM 0 HA2 GLY A 75 -14.302 -14.618 -14.915 1.00 45.12 H new ATOM 0 HA3 GLY A 75 -13.470 -16.030 -14.294 1.00 45.12 H new ATOM 1007 N VAL A 76 -12.848 -12.873 -13.498 1.00 5.41 N ATOM 1008 CA VAL A 76 -12.445 -12.001 -12.401 1.00 10.32 C ATOM 1009 C VAL A 76 -13.508 -10.944 -12.120 1.00 64.05 C ATOM 1010 O VAL A 76 -14.192 -10.481 -13.031 1.00 75.15 O ATOM 1011 CB VAL A 76 -11.107 -11.300 -12.703 1.00 30.04 C ATOM 1012 CG1 VAL A 76 -10.588 -10.583 -11.465 1.00 75.14 C ATOM 1013 CG2 VAL A 76 -10.085 -12.303 -13.215 1.00 63.04 C ATOM 0 H VAL A 76 -13.080 -12.384 -14.362 1.00 5.41 H new ATOM 0 HA VAL A 76 -12.324 -12.634 -11.522 1.00 10.32 H new ATOM 0 HB VAL A 76 -11.274 -10.556 -13.481 1.00 30.04 H new ATOM 0 HG11 VAL A 76 -9.642 -10.094 -11.698 1.00 75.14 H new ATOM 0 HG12 VAL A 76 -11.314 -9.836 -11.146 1.00 75.14 H new ATOM 0 HG13 VAL A 76 -10.435 -11.306 -10.663 1.00 75.14 H new ATOM 0 HG21 VAL A 76 -9.146 -11.791 -13.423 1.00 63.04 H new ATOM 0 HG22 VAL A 76 -9.920 -13.072 -12.460 1.00 63.04 H new ATOM 0 HG23 VAL A 76 -10.456 -12.766 -14.129 1.00 63.04 H new ATOM 1023 N ASN A 77 -13.639 -10.566 -10.853 1.00 22.51 N ATOM 1024 CA ASN A 77 -14.619 -9.563 -10.452 1.00 23.53 C ATOM 1025 C ASN A 77 -14.047 -8.156 -10.596 1.00 20.42 C ATOM 1026 O ASN A 77 -13.306 -7.685 -9.733 1.00 22.45 O ATOM 1027 CB ASN A 77 -15.060 -9.801 -9.006 1.00 71.22 C ATOM 1028 CG ASN A 77 -15.319 -11.267 -8.714 1.00 53.44 C ATOM 1029 OD1 ASN A 77 -16.246 -11.865 -9.261 1.00 23.50 O ATOM 1030 ND2 ASN A 77 -14.500 -11.851 -7.848 1.00 64.35 N ATOM 0 H ASN A 77 -13.079 -10.939 -10.086 1.00 22.51 H new ATOM 0 HA ASN A 77 -15.484 -9.653 -11.109 1.00 23.53 H new ATOM 0 HB2 ASN A 77 -14.291 -9.429 -8.329 1.00 71.22 H new ATOM 0 HB3 ASN A 77 -15.966 -9.228 -8.806 1.00 71.22 H new ATOM 0 HD21 ASN A 77 -14.626 -12.835 -7.611 1.00 64.35 H new ATOM 0 HD22 ASN A 77 -13.745 -11.316 -7.419 1.00 64.35 H new ATOM 1037 N ILE A 78 -14.397 -7.491 -11.691 1.00 40.22 N ATOM 1038 CA ILE A 78 -13.920 -6.137 -11.947 1.00 73.32 C ATOM 1039 C ILE A 78 -14.973 -5.313 -12.681 1.00 62.41 C ATOM 1040 O ILE A 78 -14.949 -5.178 -13.905 1.00 21.04 O ATOM 1041 CB ILE A 78 -12.622 -6.145 -12.775 1.00 25.01 C ATOM 1042 CG1 ILE A 78 -11.593 -7.085 -12.142 1.00 12.30 C ATOM 1043 CG2 ILE A 78 -12.059 -4.736 -12.891 1.00 30.22 C ATOM 1044 CD1 ILE A 78 -10.311 -7.201 -12.936 1.00 53.25 C ATOM 0 H ILE A 78 -15.009 -7.867 -12.415 1.00 40.22 H new ATOM 0 HA ILE A 78 -13.719 -5.684 -10.976 1.00 73.32 H new ATOM 0 HB ILE A 78 -12.850 -6.508 -13.777 1.00 25.01 H new ATOM 0 HG12 ILE A 78 -11.358 -6.731 -11.138 1.00 12.30 H new ATOM 0 HG13 ILE A 78 -12.035 -8.075 -12.035 1.00 12.30 H new ATOM 0 HG21 ILE A 78 -11.142 -4.758 -13.479 1.00 30.22 H new ATOM 0 HG22 ILE A 78 -12.789 -4.092 -13.381 1.00 30.22 H new ATOM 0 HG23 ILE A 78 -11.843 -4.348 -11.896 1.00 30.22 H new ATOM 0 HD11 ILE A 78 -9.629 -7.883 -12.428 1.00 53.25 H new ATOM 0 HD12 ILE A 78 -10.533 -7.585 -13.932 1.00 53.25 H new ATOM 0 HD13 ILE A 78 -9.846 -6.219 -13.021 1.00 53.25 H new ATOM 1056 N PRO A 79 -15.919 -4.747 -11.918 1.00 32.33 N ATOM 1057 CA PRO A 79 -16.997 -3.924 -12.474 1.00 34.32 C ATOM 1058 C PRO A 79 -16.491 -2.589 -13.008 1.00 2.23 C ATOM 1059 O PRO A 79 -17.239 -1.833 -13.627 1.00 54.24 O ATOM 1060 CB PRO A 79 -17.928 -3.704 -11.279 1.00 20.14 C ATOM 1061 CG PRO A 79 -17.050 -3.846 -10.084 1.00 2.54 C ATOM 1062 CD PRO A 79 -16.009 -4.866 -10.453 1.00 34.52 C ATOM 0 HA PRO A 79 -17.479 -4.405 -13.325 1.00 34.32 H new ATOM 0 HB2 PRO A 79 -18.392 -2.718 -11.315 1.00 20.14 H new ATOM 0 HB3 PRO A 79 -18.736 -4.436 -11.266 1.00 20.14 H new ATOM 0 HG2 PRO A 79 -16.588 -2.894 -9.824 1.00 2.54 H new ATOM 0 HG3 PRO A 79 -17.623 -4.170 -9.215 1.00 2.54 H new ATOM 0 HD2 PRO A 79 -15.053 -4.656 -9.973 1.00 34.52 H new ATOM 0 HD3 PRO A 79 -16.305 -5.870 -10.149 1.00 34.52 H new ATOM 1070 N TYR A 80 -15.216 -2.305 -12.764 1.00 13.21 N ATOM 1071 CA TYR A 80 -14.610 -1.059 -13.219 1.00 14.02 C ATOM 1072 C TYR A 80 -14.351 -1.096 -14.722 1.00 30.33 C ATOM 1073 O TYR A 80 -13.700 -2.010 -15.229 1.00 52.25 O ATOM 1074 CB TYR A 80 -13.302 -0.801 -12.470 1.00 44.13 C ATOM 1075 CG TYR A 80 -13.491 -0.103 -11.142 1.00 61.24 C ATOM 1076 CD1 TYR A 80 -13.237 1.256 -11.007 1.00 52.35 C ATOM 1077 CD2 TYR A 80 -13.922 -0.803 -10.023 1.00 33.25 C ATOM 1078 CE1 TYR A 80 -13.408 1.898 -9.796 1.00 50.10 C ATOM 1079 CE2 TYR A 80 -14.097 -0.170 -8.808 1.00 13.54 C ATOM 1080 CZ TYR A 80 -13.839 1.181 -8.699 1.00 43.03 C ATOM 1081 OH TYR A 80 -14.010 1.816 -7.490 1.00 74.34 O ATOM 0 H TYR A 80 -14.583 -2.921 -12.254 1.00 13.21 H new ATOM 0 HA TYR A 80 -15.307 -0.247 -13.009 1.00 14.02 H new ATOM 0 HB2 TYR A 80 -12.796 -1.752 -12.302 1.00 44.13 H new ATOM 0 HB3 TYR A 80 -12.647 -0.197 -13.098 1.00 44.13 H new ATOM 0 HD1 TYR A 80 -12.900 1.820 -11.864 1.00 52.35 H new ATOM 0 HD2 TYR A 80 -14.124 -1.861 -10.104 1.00 33.25 H new ATOM 0 HE1 TYR A 80 -13.205 2.955 -9.708 1.00 50.10 H new ATOM 0 HE2 TYR A 80 -14.434 -0.730 -7.948 1.00 13.54 H new ATOM 0 HH TYR A 80 -14.319 1.169 -6.822 1.00 74.34 H new ATOM 1091 N LYS A 81 -14.865 -0.096 -15.429 1.00 43.40 N ATOM 1092 CA LYS A 81 -14.689 -0.010 -16.874 1.00 22.01 C ATOM 1093 C LYS A 81 -13.220 0.196 -17.232 1.00 74.50 C ATOM 1094 O LYS A 81 -12.652 1.256 -16.973 1.00 5.43 O ATOM 1095 CB LYS A 81 -15.529 1.135 -17.444 1.00 1.33 C ATOM 1096 CG LYS A 81 -17.021 0.849 -17.453 1.00 44.20 C ATOM 1097 CD LYS A 81 -17.406 -0.061 -18.606 1.00 75.55 C ATOM 1098 CE LYS A 81 -17.906 0.735 -19.802 1.00 72.22 C ATOM 1099 NZ LYS A 81 -16.802 1.076 -20.742 1.00 35.11 N ATOM 0 H LYS A 81 -15.407 0.667 -15.025 1.00 43.40 H new ATOM 0 HA LYS A 81 -15.023 -0.950 -17.312 1.00 22.01 H new ATOM 0 HB2 LYS A 81 -15.344 2.036 -16.859 1.00 1.33 H new ATOM 0 HB3 LYS A 81 -15.201 1.343 -18.463 1.00 1.33 H new ATOM 0 HG2 LYS A 81 -17.309 0.385 -16.510 1.00 44.20 H new ATOM 0 HG3 LYS A 81 -17.572 1.787 -17.528 1.00 44.20 H new ATOM 0 HD2 LYS A 81 -16.545 -0.660 -18.901 1.00 75.55 H new ATOM 0 HD3 LYS A 81 -18.181 -0.755 -18.280 1.00 75.55 H new ATOM 0 HE2 LYS A 81 -18.667 0.159 -20.329 1.00 72.22 H new ATOM 0 HE3 LYS A 81 -18.383 1.651 -19.455 1.00 72.22 H new ATOM 0 HZ1 LYS A 81 -17.203 1.419 -21.638 1.00 35.11 H new ATOM 0 HZ2 LYS A 81 -16.206 1.818 -20.323 1.00 35.11 H new ATOM 0 HZ3 LYS A 81 -16.225 0.229 -20.922 1.00 35.11 H new ATOM 1113 N ILE A 82 -12.614 -0.824 -17.830 1.00 24.23 N ATOM 1114 CA ILE A 82 -11.213 -0.753 -18.225 1.00 65.24 C ATOM 1115 C ILE A 82 -10.965 0.422 -19.165 1.00 14.33 C ATOM 1116 O ILE A 82 -11.607 0.542 -20.208 1.00 72.23 O ATOM 1117 CB ILE A 82 -10.756 -2.052 -18.916 1.00 21.14 C ATOM 1118 CG1 ILE A 82 -10.516 -3.150 -17.877 1.00 74.13 C ATOM 1119 CG2 ILE A 82 -9.496 -1.804 -19.732 1.00 14.41 C ATOM 1120 CD1 ILE A 82 -9.256 -2.950 -17.066 1.00 45.00 C ATOM 0 H ILE A 82 -13.071 -1.709 -18.051 1.00 24.23 H new ATOM 0 HA ILE A 82 -10.635 -0.613 -17.311 1.00 65.24 H new ATOM 0 HB ILE A 82 -11.544 -2.383 -19.593 1.00 21.14 H new ATOM 0 HG12 ILE A 82 -11.370 -3.192 -17.201 1.00 74.13 H new ATOM 0 HG13 ILE A 82 -10.463 -4.113 -18.384 1.00 74.13 H new ATOM 0 HG21 ILE A 82 -9.186 -2.731 -20.214 1.00 14.41 H new ATOM 0 HG22 ILE A 82 -9.698 -1.050 -20.493 1.00 14.41 H new ATOM 0 HG23 ILE A 82 -8.700 -1.453 -19.075 1.00 14.41 H new ATOM 0 HD11 ILE A 82 -9.151 -3.765 -16.350 1.00 45.00 H new ATOM 0 HD12 ILE A 82 -8.393 -2.938 -17.732 1.00 45.00 H new ATOM 0 HD13 ILE A 82 -9.315 -2.002 -16.530 1.00 45.00 H new ATOM 1132 N SER A 83 -10.029 1.287 -18.788 1.00 15.54 N ATOM 1133 CA SER A 83 -9.698 2.455 -19.595 1.00 51.53 C ATOM 1134 C SER A 83 -8.273 2.923 -19.315 1.00 52.22 C ATOM 1135 O SER A 83 -7.961 3.377 -18.214 1.00 3.12 O ATOM 1136 CB SER A 83 -10.684 3.591 -19.316 1.00 11.41 C ATOM 1137 OG SER A 83 -11.622 3.219 -18.321 1.00 53.22 O ATOM 0 H SER A 83 -9.486 1.201 -17.929 1.00 15.54 H new ATOM 0 HA SER A 83 -9.769 2.172 -20.645 1.00 51.53 H new ATOM 0 HB2 SER A 83 -10.139 4.478 -18.993 1.00 11.41 H new ATOM 0 HB3 SER A 83 -11.209 3.855 -20.234 1.00 11.41 H new ATOM 0 HG SER A 83 -12.341 2.693 -18.730 1.00 53.22 H new ATOM 1143 N THR A 84 -7.411 2.809 -20.321 1.00 11.32 N ATOM 1144 CA THR A 84 -6.019 3.219 -20.184 1.00 70.42 C ATOM 1145 C THR A 84 -5.912 4.705 -19.861 1.00 60.55 C ATOM 1146 O THR A 84 -4.874 5.177 -19.396 1.00 70.15 O ATOM 1147 CB THR A 84 -5.219 2.924 -21.467 1.00 5.41 C ATOM 1148 OG1 THR A 84 -5.873 3.510 -22.598 1.00 31.21 O ATOM 1149 CG2 THR A 84 -5.070 1.426 -21.680 1.00 61.43 C ATOM 0 H THR A 84 -7.653 2.436 -21.239 1.00 11.32 H new ATOM 0 HA THR A 84 -5.598 2.641 -19.361 1.00 70.42 H new ATOM 0 HB THR A 84 -4.226 3.359 -21.357 1.00 5.41 H new ATOM 0 HG1 THR A 84 -5.357 3.319 -23.409 1.00 31.21 H new ATOM 0 HG21 THR A 84 -4.502 1.243 -22.592 1.00 61.43 H new ATOM 0 HG22 THR A 84 -4.545 0.988 -20.831 1.00 61.43 H new ATOM 0 HG23 THR A 84 -6.057 0.971 -21.770 1.00 61.43 H new ATOM 1157 N THR A 85 -6.992 5.439 -20.110 1.00 60.13 N ATOM 1158 CA THR A 85 -7.019 6.872 -19.847 1.00 32.14 C ATOM 1159 C THR A 85 -7.499 7.161 -18.429 1.00 12.11 C ATOM 1160 O THR A 85 -7.439 8.299 -17.961 1.00 61.22 O ATOM 1161 CB THR A 85 -7.930 7.610 -20.845 1.00 75.25 C ATOM 1162 OG1 THR A 85 -9.295 7.229 -20.638 1.00 20.44 O ATOM 1163 CG2 THR A 85 -7.525 7.300 -22.279 1.00 2.34 C ATOM 0 H THR A 85 -7.860 5.064 -20.494 1.00 60.13 H new ATOM 0 HA THR A 85 -5.997 7.234 -19.964 1.00 32.14 H new ATOM 0 HB THR A 85 -7.822 8.681 -20.676 1.00 75.25 H new ATOM 0 HG1 THR A 85 -9.868 7.704 -21.276 1.00 20.44 H new ATOM 0 HG21 THR A 85 -8.183 7.832 -22.966 1.00 2.34 H new ATOM 0 HG22 THR A 85 -6.495 7.618 -22.443 1.00 2.34 H new ATOM 0 HG23 THR A 85 -7.607 6.228 -22.456 1.00 2.34 H new ATOM 1171 N THR A 86 -7.976 6.124 -17.747 1.00 51.03 N ATOM 1172 CA THR A 86 -8.467 6.267 -16.383 1.00 31.14 C ATOM 1173 C THR A 86 -7.316 6.461 -15.402 1.00 33.22 C ATOM 1174 O THR A 86 -6.249 5.869 -15.558 1.00 11.31 O ATOM 1175 CB THR A 86 -9.293 5.040 -15.951 1.00 40.33 C ATOM 1176 OG1 THR A 86 -10.468 4.931 -16.762 1.00 51.23 O ATOM 1177 CG2 THR A 86 -9.690 5.143 -14.486 1.00 65.23 C ATOM 0 H THR A 86 -8.032 5.176 -18.118 1.00 51.03 H new ATOM 0 HA THR A 86 -9.106 7.150 -16.368 1.00 31.14 H new ATOM 0 HB THR A 86 -8.677 4.150 -16.082 1.00 40.33 H new ATOM 0 HG1 THR A 86 -10.652 3.986 -16.946 1.00 51.23 H new ATOM 0 HG21 THR A 86 -10.272 4.266 -14.204 1.00 65.23 H new ATOM 0 HG22 THR A 86 -8.793 5.197 -13.869 1.00 65.23 H new ATOM 0 HG23 THR A 86 -10.290 6.040 -14.334 1.00 65.23 H new ATOM 1185 N ASN A 87 -7.541 7.293 -14.390 1.00 71.01 N ATOM 1186 CA ASN A 87 -6.522 7.565 -13.383 1.00 22.40 C ATOM 1187 C ASN A 87 -6.602 6.555 -12.242 1.00 63.20 C ATOM 1188 O ASN A 87 -7.410 6.700 -11.325 1.00 14.41 O ATOM 1189 CB ASN A 87 -6.682 8.984 -12.835 1.00 32.02 C ATOM 1190 CG ASN A 87 -5.378 9.552 -12.309 1.00 21.50 C ATOM 1191 OD1 ASN A 87 -4.379 8.841 -12.197 1.00 31.40 O ATOM 1192 ND2 ASN A 87 -5.382 10.839 -11.983 1.00 63.11 N ATOM 0 H ASN A 87 -8.420 7.790 -14.246 1.00 71.01 H new ATOM 0 HA ASN A 87 -5.545 7.474 -13.857 1.00 22.40 H new ATOM 0 HB2 ASN A 87 -7.066 9.633 -13.622 1.00 32.02 H new ATOM 0 HB3 ASN A 87 -7.422 8.980 -12.035 1.00 32.02 H new ATOM 0 HD21 ASN A 87 -4.534 11.277 -11.623 1.00 63.11 H new ATOM 0 HD22 ASN A 87 -6.233 11.390 -12.092 1.00 63.11 H new ATOM 1199 N CYS A 88 -5.757 5.531 -12.305 1.00 41.11 N ATOM 1200 CA CYS A 88 -5.730 4.496 -11.278 1.00 55.43 C ATOM 1201 C CYS A 88 -5.157 5.040 -9.973 1.00 65.01 C ATOM 1202 O CYS A 88 -5.149 4.353 -8.953 1.00 22.41 O ATOM 1203 CB CYS A 88 -4.904 3.299 -11.752 1.00 51.33 C ATOM 1204 SG CYS A 88 -5.511 2.540 -13.293 1.00 32.22 S ATOM 0 H CYS A 88 -5.081 5.396 -13.057 1.00 41.11 H new ATOM 0 HA CYS A 88 -6.755 4.172 -11.097 1.00 55.43 H new ATOM 0 HB2 CYS A 88 -3.872 3.618 -11.899 1.00 51.33 H new ATOM 0 HB3 CYS A 88 -4.895 2.543 -10.966 1.00 51.33 H new ATOM 1209 N ASN A 89 -4.677 6.279 -10.014 1.00 71.15 N ATOM 1210 CA ASN A 89 -4.101 6.915 -8.836 1.00 3.25 C ATOM 1211 C ASN A 89 -5.188 7.553 -7.975 1.00 63.52 C ATOM 1212 O ASN A 89 -4.970 7.852 -6.801 1.00 33.25 O ATOM 1213 CB ASN A 89 -3.077 7.974 -9.251 1.00 31.23 C ATOM 1214 CG ASN A 89 -3.154 9.221 -8.391 1.00 62.21 C ATOM 1215 OD1 ASN A 89 -2.434 9.351 -7.401 1.00 33.44 O ATOM 1216 ND2 ASN A 89 -4.030 10.145 -8.767 1.00 44.52 N ATOM 0 H ASN A 89 -4.676 6.862 -10.851 1.00 71.15 H new ATOM 0 HA ASN A 89 -3.601 6.146 -8.248 1.00 3.25 H new ATOM 0 HB2 ASN A 89 -2.074 7.552 -9.185 1.00 31.23 H new ATOM 0 HB3 ASN A 89 -3.241 8.245 -10.294 1.00 31.23 H new ATOM 0 HD21 ASN A 89 -4.127 11.005 -8.228 1.00 44.52 H new ATOM 0 HD22 ASN A 89 -4.606 9.994 -9.595 1.00 44.52 H new ATOM 1223 N THR A 90 -6.360 7.757 -8.568 1.00 41.40 N ATOM 1224 CA THR A 90 -7.481 8.359 -7.857 1.00 41.34 C ATOM 1225 C THR A 90 -8.514 7.308 -7.470 1.00 34.04 C ATOM 1226 O THR A 90 -9.689 7.621 -7.271 1.00 65.52 O ATOM 1227 CB THR A 90 -8.165 9.447 -8.706 1.00 55.14 C ATOM 1228 OG1 THR A 90 -8.851 8.847 -9.811 1.00 42.13 O ATOM 1229 CG2 THR A 90 -7.147 10.453 -9.221 1.00 2.03 C ATOM 0 H THR A 90 -6.558 7.514 -9.539 1.00 41.40 H new ATOM 0 HA THR A 90 -7.075 8.815 -6.954 1.00 41.34 H new ATOM 0 HB THR A 90 -8.882 9.971 -8.074 1.00 55.14 H new ATOM 0 HG1 THR A 90 -8.278 8.166 -10.221 1.00 42.13 H new ATOM 0 HG21 THR A 90 -7.654 11.211 -9.818 1.00 2.03 H new ATOM 0 HG22 THR A 90 -6.647 10.929 -8.377 1.00 2.03 H new ATOM 0 HG23 THR A 90 -6.409 9.940 -9.838 1.00 2.03 H new ATOM 1237 N VAL A 91 -8.070 6.060 -7.362 1.00 74.44 N ATOM 1238 CA VAL A 91 -8.957 4.962 -6.996 1.00 71.43 C ATOM 1239 C VAL A 91 -8.929 4.711 -5.493 1.00 31.32 C ATOM 1240 O VAL A 91 -8.073 5.235 -4.780 1.00 51.21 O ATOM 1241 CB VAL A 91 -8.574 3.662 -7.730 1.00 11.53 C ATOM 1242 CG1 VAL A 91 -8.440 3.912 -9.224 1.00 53.31 C ATOM 1243 CG2 VAL A 91 -7.286 3.089 -7.159 1.00 43.12 C ATOM 0 H VAL A 91 -7.101 5.784 -7.523 1.00 74.44 H new ATOM 0 HA VAL A 91 -9.964 5.256 -7.294 1.00 71.43 H new ATOM 0 HB VAL A 91 -9.369 2.931 -7.579 1.00 11.53 H new ATOM 0 HG11 VAL A 91 -8.169 2.983 -9.726 1.00 53.31 H new ATOM 0 HG12 VAL A 91 -9.389 4.274 -9.619 1.00 53.31 H new ATOM 0 HG13 VAL A 91 -7.665 4.658 -9.400 1.00 53.31 H new ATOM 0 HG21 VAL A 91 -7.030 2.171 -7.688 1.00 43.12 H new ATOM 0 HG22 VAL A 91 -6.481 3.814 -7.279 1.00 43.12 H new ATOM 0 HG23 VAL A 91 -7.423 2.871 -6.100 1.00 43.12 H new ATOM 1253 N LYS A 92 -9.871 3.904 -5.016 1.00 12.44 N ATOM 1254 CA LYS A 92 -9.955 3.581 -3.596 1.00 72.13 C ATOM 1255 C LYS A 92 -10.423 2.143 -3.393 1.00 0.43 C ATOM 1256 O LYS A 92 -11.416 1.714 -3.980 1.00 51.13 O ATOM 1257 CB LYS A 92 -10.910 4.544 -2.888 1.00 52.41 C ATOM 1258 CG LYS A 92 -11.426 4.022 -1.559 1.00 32.24 C ATOM 1259 CD LYS A 92 -12.142 5.108 -0.772 1.00 63.55 C ATOM 1260 CE LYS A 92 -11.208 5.785 0.219 1.00 32.21 C ATOM 1261 NZ LYS A 92 -10.473 6.923 -0.399 1.00 71.43 N ATOM 0 H LYS A 92 -10.587 3.462 -5.592 1.00 12.44 H new ATOM 0 HA LYS A 92 -8.959 3.685 -3.165 1.00 72.13 H new ATOM 0 HB2 LYS A 92 -10.399 5.493 -2.722 1.00 52.41 H new ATOM 0 HB3 LYS A 92 -11.758 4.748 -3.542 1.00 52.41 H new ATOM 0 HG2 LYS A 92 -12.107 3.189 -1.734 1.00 32.24 H new ATOM 0 HG3 LYS A 92 -10.594 3.635 -0.971 1.00 32.24 H new ATOM 0 HD2 LYS A 92 -12.545 5.851 -1.460 1.00 63.55 H new ATOM 0 HD3 LYS A 92 -12.988 4.675 -0.239 1.00 63.55 H new ATOM 0 HE2 LYS A 92 -11.783 6.145 1.072 1.00 32.21 H new ATOM 0 HE3 LYS A 92 -10.493 5.056 0.601 1.00 32.21 H new ATOM 0 HZ1 LYS A 92 -10.092 7.537 0.349 1.00 71.43 H new ATOM 0 HZ2 LYS A 92 -9.691 6.557 -0.978 1.00 71.43 H new ATOM 0 HZ3 LYS A 92 -11.122 7.470 -1.000 1.00 71.43 H new ATOM 1275 N PHE A 93 -9.702 1.404 -2.556 1.00 13.31 N ATOM 1276 CA PHE A 93 -10.044 0.015 -2.274 1.00 72.14 C ATOM 1277 C PHE A 93 -11.507 -0.112 -1.857 1.00 45.52 C ATOM 1278 O PHE A 93 -12.031 -1.224 -1.827 1.00 41.20 O ATOM 1279 CB PHE A 93 -9.138 -0.543 -1.175 1.00 14.34 C ATOM 1280 CG PHE A 93 -9.607 -0.212 0.213 1.00 14.24 C ATOM 1281 CD1 PHE A 93 -9.742 -1.206 1.169 1.00 71.11 C ATOM 1282 CD2 PHE A 93 -9.914 1.094 0.562 1.00 30.45 C ATOM 1283 CE1 PHE A 93 -10.173 -0.905 2.447 1.00 11.02 C ATOM 1284 CE2 PHE A 93 -10.345 1.401 1.839 1.00 20.32 C ATOM 1285 CZ PHE A 93 -10.476 0.400 2.782 1.00 1.24 C ATOM 0 H PHE A 93 -8.877 1.744 -2.061 1.00 13.31 H new ATOM 0 HA PHE A 93 -9.894 -0.562 -3.186 1.00 72.14 H new ATOM 0 HB2 PHE A 93 -9.077 -1.626 -1.281 1.00 14.34 H new ATOM 0 HB3 PHE A 93 -8.130 -0.152 -1.312 1.00 14.34 H new ATOM 0 HD1 PHE A 93 -9.508 -2.228 0.912 1.00 71.11 H new ATOM 0 HD2 PHE A 93 -9.815 1.880 -0.172 1.00 30.45 H new ATOM 0 HE1 PHE A 93 -10.273 -1.689 3.183 1.00 11.02 H new ATOM 0 HE2 PHE A 93 -10.579 2.423 2.099 1.00 20.32 H new ATOM 0 HZ PHE A 93 -10.815 0.638 3.780 1.00 1.24 H new TER 1295 PHE A 93 HETATM 1296 C1 PGM A 101 8.600 -2.079 -16.162 1.00 42.23 C HETATM 1297 O1 PGM A 101 9.053 -0.726 -16.259 1.00 15.44 O HETATM 1298 C2 PGM A 101 9.581 -2.942 -15.353 1.00 63.13 C HETATM 1299 O2 PGM A 101 9.316 -2.726 -13.970 1.00 10.31 O HETATM 1300 C3 PGM A 101 9.202 -4.394 -15.644 1.00 52.42 C HETATM 1301 O4 PGM A 101 9.642 -4.844 -16.933 1.00 51.21 O HETATM 1302 P5 PGM A 101 9.193 -6.362 -17.251 1.00 70.45 P HETATM 1303 O5A PGM A 101 8.814 -7.268 -16.148 1.00 41.34 O HETATM 1304 O5B PGM A 101 10.137 -6.944 -18.222 1.00 15.25 O HETATM 1305 O6 PGM A 101 7.779 -6.187 -18.006 1.00 15.03 O HETATM 1306 C7 PGM A 101 7.858 -5.326 -19.133 1.00 54.14 C HETATM 1307 C8 PGM A 101 6.536 -4.861 -19.744 1.00 55.01 C HETATM 1308 O8 PGM A 101 5.749 -4.028 -18.879 1.00 15.11 O HETATM 1309 C9 PGM A 101 5.732 -6.105 -20.115 1.00 61.24 C HETATM 1310 OQ1 PGM A 101 3.800 -7.276 -18.687 1.00 21.34 O HETATM 1311 OQ2 PGM A 101 4.347 -5.747 -20.258 1.00 3.31 O HETATM 1312 CA PGM A 101 3.441 -6.466 -19.524 1.00 62.32 C HETATM 1313 CB PGM A 101 1.941 -6.224 -19.699 1.00 41.34 C HETATM 1314 CC PGM A 101 1.498 -4.867 -19.123 1.00 43.33 C HETATM 1315 CD PGM A 101 0.255 -4.473 -19.923 1.00 44.45 C HETATM 1316 CE PGM A 101 -0.786 -3.745 -19.059 1.00 11.21 C HETATM 1317 CF PGM A 101 -2.231 -3.978 -19.487 1.00 75.15 C HETATM 1318 CG PGM A 101 -3.177 -2.771 -19.449 1.00 42.50 C HETATM 1319 CH PGM A 101 -3.565 -2.350 -18.034 1.00 13.34 C HETATM 1320 CI PGM A 101 -4.459 -3.484 -17.510 1.00 41.42 C HETATM 1321 CJ PGM A 101 -5.583 -2.937 -16.632 1.00 43.22 C HETATM 1322 CK PGM A 101 -5.177 -2.813 -15.164 1.00 10.11 C HETATM 1323 CL PGM A 101 -6.394 -3.089 -14.278 1.00 51.14 C HETATM 1324 CM PGM A 101 -6.048 -2.410 -12.951 1.00 1.34 C HETATM 1325 CN PGM A 101 -5.880 -3.564 -11.972 1.00 44.04 C HETATM 1326 CO PGM A 101 -4.433 -4.057 -12.124 1.00 44.43 C HETATM 1327 CP PGM A 101 -4.163 -5.562 -12.144 1.00 42.31 C HETATM 0 HCP3 PGM A 101 -4.507 -6.006 -11.210 1.00 42.31 H new HETATM 0 HCP2 PGM A 101 -4.696 -6.016 -12.979 1.00 42.31 H new HETATM 0 HCP1 PGM A 101 -3.093 -5.738 -12.258 1.00 42.31 H new HETATM 0 HCO2 PGM A 101 -4.038 -3.639 -13.050 1.00 44.43 H new HETATM 0 HCO1 PGM A 101 -3.852 -3.629 -11.308 1.00 44.43 H new HETATM 0 HCN2 PGM A 101 -6.073 -3.237 -10.950 1.00 44.04 H new HETATM 0 HCN1 PGM A 101 -6.587 -4.364 -12.190 1.00 44.04 H new HETATM 0 HCM2 PGM A 101 -5.135 -1.820 -13.032 1.00 1.34 H new HETATM 0 HCM1 PGM A 101 -6.839 -1.731 -12.633 1.00 1.34 H new HETATM 0 HCL2 PGM A 101 -7.305 -2.677 -14.712 1.00 51.14 H new HETATM 0 HCL1 PGM A 101 -6.559 -4.159 -14.148 1.00 51.14 H new HETATM 0 HCK2 PGM A 101 -4.378 -3.518 -14.935 1.00 10.11 H new HETATM 0 HCK1 PGM A 101 -4.787 -1.815 -14.966 1.00 10.11 H new HETATM 0 HCJ2 PGM A 101 -5.886 -1.959 -17.005 1.00 43.22 H new HETATM 0 HCJ1 PGM A 101 -6.451 -3.591 -16.711 1.00 43.22 H new HETATM 0 HCI2 PGM A 101 -4.884 -4.034 -18.350 1.00 41.42 H new HETATM 0 HCI1 PGM A 101 -3.858 -4.191 -16.938 1.00 41.42 H new HETATM 0 HCH2 PGM A 101 -2.684 -2.220 -17.406 1.00 13.34 H new HETATM 0 HCH1 PGM A 101 -4.097 -1.398 -18.038 1.00 13.34 H new HETATM 0 HCG2 PGM A 101 -2.701 -1.930 -19.953 1.00 42.50 H new HETATM 0 HCG1 PGM A 101 -4.081 -3.009 -20.010 1.00 42.50 H new HETATM 0 HCF2 PGM A 101 -2.223 -4.369 -20.504 1.00 75.15 H new HETATM 0 HCF1 PGM A 101 -2.651 -4.756 -18.850 1.00 75.15 H new HETATM 0 HCE2 PGM A 101 -0.670 -4.066 -18.024 1.00 11.21 H new HETATM 0 HCE1 PGM A 101 -0.579 -2.675 -19.086 1.00 11.21 H new HETATM 0 HCD2 PGM A 101 0.548 -3.831 -20.753 1.00 44.45 H new HETATM 0 HCD1 PGM A 101 -0.195 -5.367 -20.355 1.00 44.45 H new HETATM 0 HCC2 PGM A 101 1.272 -4.946 -18.060 1.00 43.33 H new HETATM 0 HCC1 PGM A 101 2.285 -4.120 -19.227 1.00 43.33 H new HETATM 0 HCB2 PGM A 101 1.689 -6.266 -20.759 1.00 41.34 H new HETATM 0 HCB1 PGM A 101 1.386 -7.023 -19.208 1.00 41.34 H new HETATM 0 HC92 PGM A 101 6.108 -6.532 -21.045 1.00 61.24 H new HETATM 0 HC91 PGM A 101 5.845 -6.869 -19.346 1.00 61.24 H new HETATM 0 HC72 PGM A 101 8.428 -4.442 -18.845 1.00 54.14 H new HETATM 0 HC71 PGM A 101 8.430 -5.835 -19.909 1.00 54.14 H new HETATM 0 HC32 PGM A 101 9.632 -5.036 -14.876 1.00 52.42 H new HETATM 0 HC31 PGM A 101 8.119 -4.500 -15.579 1.00 52.42 H new HETATM 0 HC12 PGM A 101 7.618 -2.102 -15.690 1.00 42.23 H new HETATM 0 HC11 PGM A 101 8.483 -2.498 -17.162 1.00 42.23 H new HETATM 0 HO8 PGM A 101 4.797 -4.209 -19.027 1.00 15.11 H new HETATM 0 HO2 PGM A 101 9.929 -3.268 -13.431 1.00 10.31 H new HETATM 0 HO1 PGM A 101 8.409 -0.202 -16.780 1.00 15.44 H new HETATM 0 HC8 PGM A 101 6.776 -4.246 -20.611 1.00 55.01 H new HETATM 0 HC2 PGM A 101 10.618 -2.713 -15.599 1.00 63.13 H new