USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 520 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 32 SER OG : rot -70:sc= 0.0953 USER MOD Set 1.2: A 39 LYS NZ :NH3+ 155:sc= 0.0282 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.7!) USER MOD Single : A 11 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.62) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.317 (180deg=-0.998) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.46) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0.873 (180deg=0.818) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.000158 K(o=-0.00016,f=-1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 0.205 -1.542 -0.755 1.00 42.42 N ATOM 2 CA TYR A 6 0.796 -1.667 -2.082 1.00 55.15 C ATOM 3 C TYR A 6 0.501 -3.038 -2.683 1.00 32.24 C ATOM 4 O TYR A 6 -0.129 -3.883 -2.047 1.00 12.22 O ATOM 5 CB TYR A 6 2.307 -1.442 -2.015 1.00 11.43 C ATOM 6 CG TYR A 6 2.705 -0.262 -1.157 1.00 45.22 C ATOM 7 CD1 TYR A 6 2.366 1.035 -1.523 1.00 73.32 C ATOM 8 CD2 TYR A 6 3.421 -0.444 0.020 1.00 41.11 C ATOM 9 CE1 TYR A 6 2.729 2.115 -0.743 1.00 55.41 C ATOM 10 CE2 TYR A 6 3.787 0.631 0.807 1.00 31.10 C ATOM 11 CZ TYR A 6 3.439 1.909 0.421 1.00 33.51 C ATOM 12 OH TYR A 6 3.801 2.982 1.202 1.00 53.44 O ATOM 0 HA TYR A 6 0.351 -0.906 -2.722 1.00 55.15 H new ATOM 0 HB2 TYR A 6 2.783 -2.342 -1.625 1.00 11.43 H new ATOM 0 HB3 TYR A 6 2.689 -1.292 -3.025 1.00 11.43 H new ATOM 0 HD1 TYR A 6 1.809 1.201 -2.433 1.00 73.32 H new ATOM 0 HD2 TYR A 6 3.696 -1.443 0.325 1.00 41.11 H new ATOM 0 HE1 TYR A 6 2.458 3.116 -1.043 1.00 55.41 H new ATOM 0 HE2 TYR A 6 4.342 0.472 1.719 1.00 31.10 H new ATOM 0 HH TYR A 6 4.295 2.664 1.986 1.00 53.44 H new ATOM 22 N GLN A 7 0.962 -3.251 -3.911 1.00 3.03 N ATOM 23 CA GLN A 7 0.748 -4.519 -4.598 1.00 25.35 C ATOM 24 C GLN A 7 1.022 -5.696 -3.666 1.00 41.41 C ATOM 25 O GLN A 7 1.357 -5.509 -2.496 1.00 53.21 O ATOM 26 CB GLN A 7 1.646 -4.612 -5.833 1.00 31.22 C ATOM 27 CG GLN A 7 1.091 -3.880 -7.044 1.00 44.10 C ATOM 28 CD GLN A 7 0.166 -4.745 -7.876 1.00 35.32 C ATOM 29 OE1 GLN A 7 0.598 -5.413 -8.816 1.00 4.33 O ATOM 30 NE2 GLN A 7 -1.118 -4.739 -7.534 1.00 5.23 N ATOM 0 H GLN A 7 1.486 -2.562 -4.451 1.00 3.03 H new ATOM 0 HA GLN A 7 -0.295 -4.562 -4.912 1.00 25.35 H new ATOM 0 HB2 GLN A 7 2.627 -4.204 -5.590 1.00 31.22 H new ATOM 0 HB3 GLN A 7 1.791 -5.662 -6.088 1.00 31.22 H new ATOM 0 HG2 GLN A 7 0.551 -2.993 -6.712 1.00 44.10 H new ATOM 0 HG3 GLN A 7 1.917 -3.536 -7.666 1.00 44.10 H new ATOM 0 HE21 GLN A 7 -1.434 -4.171 -6.748 1.00 5.23 H new ATOM 0 HE22 GLN A 7 -1.788 -5.303 -8.058 1.00 5.23 H new ATOM 39 N ASP A 8 0.877 -6.907 -4.192 1.00 42.44 N ATOM 40 CA ASP A 8 1.109 -8.114 -3.408 1.00 44.02 C ATOM 41 C ASP A 8 2.225 -7.895 -2.391 1.00 31.01 C ATOM 42 O ASP A 8 2.166 -8.406 -1.273 1.00 4.01 O ATOM 43 CB ASP A 8 1.463 -9.285 -4.327 1.00 53.51 C ATOM 44 CG ASP A 8 2.577 -8.944 -5.297 1.00 2.54 C ATOM 45 OD1 ASP A 8 2.275 -8.399 -6.379 1.00 5.11 O ATOM 46 OD2 ASP A 8 3.751 -9.222 -4.973 1.00 61.15 O ATOM 0 H ASP A 8 0.600 -7.079 -5.158 1.00 42.44 H new ATOM 0 HA ASP A 8 0.191 -8.349 -2.869 1.00 44.02 H new ATOM 0 HB2 ASP A 8 1.762 -10.141 -3.722 1.00 53.51 H new ATOM 0 HB3 ASP A 8 0.577 -9.584 -4.887 1.00 53.51 H new ATOM 51 N GLN A 9 3.239 -7.134 -2.788 1.00 4.55 N ATOM 52 CA GLN A 9 4.369 -6.849 -1.910 1.00 71.13 C ATOM 53 C GLN A 9 3.891 -6.474 -0.511 1.00 71.54 C ATOM 54 O GLN A 9 4.392 -6.994 0.485 1.00 3.42 O ATOM 55 CB GLN A 9 5.221 -5.719 -2.491 1.00 14.22 C ATOM 56 CG GLN A 9 6.268 -5.189 -1.525 1.00 42.11 C ATOM 57 CD GLN A 9 7.487 -4.632 -2.234 1.00 51.01 C ATOM 58 OE1 GLN A 9 7.840 -5.075 -3.328 1.00 13.24 O ATOM 59 NE2 GLN A 9 8.138 -3.655 -1.614 1.00 10.11 N ATOM 0 H GLN A 9 3.302 -6.704 -3.711 1.00 4.55 H new ATOM 0 HA GLN A 9 4.976 -7.751 -1.837 1.00 71.13 H new ATOM 0 HB2 GLN A 9 5.718 -6.077 -3.393 1.00 14.22 H new ATOM 0 HB3 GLN A 9 4.568 -4.900 -2.791 1.00 14.22 H new ATOM 0 HG2 GLN A 9 5.824 -4.409 -0.906 1.00 42.11 H new ATOM 0 HG3 GLN A 9 6.577 -5.991 -0.854 1.00 42.11 H new ATOM 0 HE21 GLN A 9 7.811 -3.318 -0.709 1.00 10.11 H new ATOM 0 HE22 GLN A 9 8.966 -3.241 -2.043 1.00 10.11 H new ATOM 68 N GLU A 10 2.919 -5.570 -0.446 1.00 12.02 N ATOM 69 CA GLU A 10 2.375 -5.126 0.832 1.00 54.30 C ATOM 70 C GLU A 10 1.440 -6.178 1.421 1.00 71.42 C ATOM 71 O GLU A 10 1.425 -6.402 2.631 1.00 64.22 O ATOM 72 CB GLU A 10 1.626 -3.802 0.660 1.00 24.13 C ATOM 73 CG GLU A 10 1.195 -3.172 1.974 1.00 43.21 C ATOM 74 CD GLU A 10 -0.304 -2.963 2.056 1.00 13.33 C ATOM 75 OE1 GLU A 10 -1.050 -3.953 1.902 1.00 0.25 O ATOM 76 OE2 GLU A 10 -0.732 -1.810 2.274 1.00 32.12 O ATOM 0 H GLU A 10 2.492 -5.131 -1.262 1.00 12.02 H new ATOM 0 HA GLU A 10 3.207 -4.979 1.520 1.00 54.30 H new ATOM 0 HB2 GLU A 10 2.264 -3.100 0.122 1.00 24.13 H new ATOM 0 HB3 GLU A 10 0.745 -3.970 0.041 1.00 24.13 H new ATOM 0 HG2 GLU A 10 1.515 -3.807 2.800 1.00 43.21 H new ATOM 0 HG3 GLU A 10 1.699 -2.213 2.096 1.00 43.21 H new ATOM 83 N GLN A 11 0.661 -6.820 0.556 1.00 62.13 N ATOM 84 CA GLN A 11 -0.277 -7.848 0.990 1.00 14.11 C ATOM 85 C GLN A 11 0.451 -8.986 1.697 1.00 72.41 C ATOM 86 O GLN A 11 -0.070 -9.575 2.645 1.00 65.35 O ATOM 87 CB GLN A 11 -1.060 -8.392 -0.206 1.00 70.12 C ATOM 88 CG GLN A 11 -1.830 -7.324 -0.967 1.00 25.14 C ATOM 89 CD GLN A 11 -2.787 -6.553 -0.080 1.00 55.34 C ATOM 90 OE1 GLN A 11 -2.606 -5.358 0.158 1.00 70.32 O ATOM 91 NE2 GLN A 11 -3.815 -7.233 0.414 1.00 54.14 N ATOM 0 H GLN A 11 0.661 -6.646 -0.449 1.00 62.13 H new ATOM 0 HA GLN A 11 -0.974 -7.394 1.695 1.00 14.11 H new ATOM 0 HB2 GLN A 11 -0.368 -8.885 -0.889 1.00 70.12 H new ATOM 0 HB3 GLN A 11 -1.759 -9.152 0.143 1.00 70.12 H new ATOM 0 HG2 GLN A 11 -1.125 -6.630 -1.425 1.00 25.14 H new ATOM 0 HG3 GLN A 11 -2.389 -7.792 -1.778 1.00 25.14 H new ATOM 0 HE21 GLN A 11 -3.927 -8.222 0.191 1.00 54.14 H new ATOM 0 HE22 GLN A 11 -4.493 -6.766 1.016 1.00 54.14 H new ATOM 100 N ARG A 12 1.657 -9.291 1.229 1.00 31.33 N ATOM 101 CA ARG A 12 2.456 -10.361 1.816 1.00 51.52 C ATOM 102 C ARG A 12 2.987 -9.953 3.187 1.00 33.02 C ATOM 103 O ARG A 12 2.673 -10.583 4.197 1.00 32.43 O ATOM 104 CB ARG A 12 3.621 -10.721 0.892 1.00 2.44 C ATOM 105 CG ARG A 12 3.236 -11.664 -0.235 1.00 73.02 C ATOM 106 CD ARG A 12 4.457 -12.135 -1.009 1.00 72.14 C ATOM 107 NE ARG A 12 5.132 -11.033 -1.690 1.00 71.40 N ATOM 108 CZ ARG A 12 6.141 -11.201 -2.538 1.00 32.13 C ATOM 109 NH1 ARG A 12 6.589 -12.420 -2.808 1.00 14.53 N ATOM 110 NH2 ARG A 12 6.704 -10.149 -3.118 1.00 14.34 N ATOM 0 H ARG A 12 2.102 -8.813 0.446 1.00 31.33 H new ATOM 0 HA ARG A 12 1.815 -11.234 1.939 1.00 51.52 H new ATOM 0 HB2 ARG A 12 4.031 -9.806 0.464 1.00 2.44 H new ATOM 0 HB3 ARG A 12 4.414 -11.179 1.483 1.00 2.44 H new ATOM 0 HG2 ARG A 12 2.709 -12.526 0.174 1.00 73.02 H new ATOM 0 HG3 ARG A 12 2.546 -11.161 -0.912 1.00 73.02 H new ATOM 0 HD2 ARG A 12 5.154 -12.620 -0.326 1.00 72.14 H new ATOM 0 HD3 ARG A 12 4.155 -12.883 -1.742 1.00 72.14 H new ATOM 0 HE ARG A 12 4.811 -10.083 -1.504 1.00 71.40 H new ATOM 0 HH11 ARG A 12 6.159 -13.231 -2.364 1.00 14.53 H new ATOM 0 HH12 ARG A 12 7.364 -12.546 -3.459 1.00 14.53 H new ATOM 0 HH21 ARG A 12 6.362 -9.210 -2.913 1.00 14.34 H new ATOM 0 HH22 ARG A 12 7.479 -10.279 -3.769 1.00 14.34 H new ATOM 124 N ILE A 13 3.792 -8.897 3.214 1.00 10.40 N ATOM 125 CA ILE A 13 4.365 -8.405 4.461 1.00 64.32 C ATOM 126 C ILE A 13 3.281 -8.156 5.504 1.00 64.11 C ATOM 127 O ILE A 13 3.515 -8.301 6.705 1.00 52.53 O ATOM 128 CB ILE A 13 5.159 -7.104 4.241 1.00 24.11 C ATOM 129 CG1 ILE A 13 4.216 -5.964 3.852 1.00 75.51 C ATOM 130 CG2 ILE A 13 6.223 -7.307 3.172 1.00 11.42 C ATOM 131 CD1 ILE A 13 4.924 -4.652 3.602 1.00 1.41 C ATOM 0 H ILE A 13 4.063 -8.365 2.387 1.00 10.40 H new ATOM 0 HA ILE A 13 5.043 -9.178 4.823 1.00 64.32 H new ATOM 0 HB ILE A 13 5.655 -6.837 5.174 1.00 24.11 H new ATOM 0 HG12 ILE A 13 3.667 -6.248 2.954 1.00 75.51 H new ATOM 0 HG13 ILE A 13 3.481 -5.825 4.645 1.00 75.51 H new ATOM 0 HG21 ILE A 13 6.776 -6.379 3.028 1.00 11.42 H new ATOM 0 HG22 ILE A 13 6.910 -8.093 3.487 1.00 11.42 H new ATOM 0 HG23 ILE A 13 5.747 -7.595 2.235 1.00 11.42 H new ATOM 0 HD11 ILE A 13 4.193 -3.890 3.331 1.00 1.41 H new ATOM 0 HD12 ILE A 13 5.450 -4.345 4.506 1.00 1.41 H new ATOM 0 HD13 ILE A 13 5.640 -4.774 2.789 1.00 1.41 H new ATOM 143 N LEU A 14 2.095 -7.783 5.038 1.00 14.11 N ATOM 144 CA LEU A 14 0.972 -7.515 5.931 1.00 61.35 C ATOM 145 C LEU A 14 0.493 -8.798 6.603 1.00 41.12 C ATOM 146 O LEU A 14 0.225 -8.820 7.804 1.00 3.44 O ATOM 147 CB LEU A 14 -0.179 -6.872 5.155 1.00 0.24 C ATOM 148 CG LEU A 14 -1.587 -7.188 5.659 1.00 35.54 C ATOM 149 CD1 LEU A 14 -1.756 -6.727 7.098 1.00 2.55 C ATOM 150 CD2 LEU A 14 -2.633 -6.540 4.763 1.00 22.34 C ATOM 0 H LEU A 14 1.885 -7.659 4.048 1.00 14.11 H new ATOM 0 HA LEU A 14 1.311 -6.826 6.705 1.00 61.35 H new ATOM 0 HB2 LEU A 14 -0.043 -5.791 5.172 1.00 0.24 H new ATOM 0 HB3 LEU A 14 -0.109 -7.186 4.114 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.729 -8.268 5.627 1.00 35.54 H new ATOM 0 HD11 LEU A 14 -2.765 -6.961 7.439 1.00 2.55 H new ATOM 0 HD12 LEU A 14 -1.031 -7.239 7.731 1.00 2.55 H new ATOM 0 HD13 LEU A 14 -1.593 -5.651 7.157 1.00 2.55 H new ATOM 0 HD21 LEU A 14 -3.629 -6.776 5.137 1.00 22.34 H new ATOM 0 HD22 LEU A 14 -2.492 -5.459 4.762 1.00 22.34 H new ATOM 0 HD23 LEU A 14 -2.528 -6.920 3.747 1.00 22.34 H new ATOM 162 N LYS A 15 0.389 -9.867 5.820 1.00 2.33 N ATOM 163 CA LYS A 15 -0.054 -11.155 6.339 1.00 22.31 C ATOM 164 C LYS A 15 1.041 -11.811 7.174 1.00 22.14 C ATOM 165 O LYS A 15 0.770 -12.694 7.989 1.00 40.32 O ATOM 166 CB LYS A 15 -0.455 -12.081 5.188 1.00 15.24 C ATOM 167 CG LYS A 15 0.657 -13.012 4.740 1.00 25.11 C ATOM 168 CD LYS A 15 0.483 -13.432 3.290 1.00 1.11 C ATOM 169 CE LYS A 15 -0.617 -14.471 3.139 1.00 15.22 C ATOM 170 NZ LYS A 15 -0.912 -14.763 1.709 1.00 62.20 N ATOM 0 H LYS A 15 0.606 -9.866 4.823 1.00 2.33 H new ATOM 0 HA LYS A 15 -0.920 -10.982 6.978 1.00 22.31 H new ATOM 0 HB2 LYS A 15 -1.314 -12.677 5.495 1.00 15.24 H new ATOM 0 HB3 LYS A 15 -0.774 -11.475 4.340 1.00 15.24 H new ATOM 0 HG2 LYS A 15 1.620 -12.516 4.863 1.00 25.11 H new ATOM 0 HG3 LYS A 15 0.671 -13.897 5.377 1.00 25.11 H new ATOM 0 HD2 LYS A 15 0.246 -12.558 2.683 1.00 1.11 H new ATOM 0 HD3 LYS A 15 1.422 -13.837 2.912 1.00 1.11 H new ATOM 0 HE2 LYS A 15 -0.320 -15.390 3.643 1.00 15.22 H new ATOM 0 HE3 LYS A 15 -1.522 -14.116 3.631 1.00 15.22 H new ATOM 0 HZ1 LYS A 15 -1.667 -15.476 1.649 1.00 62.20 H new ATOM 0 HZ2 LYS A 15 -1.220 -13.891 1.233 1.00 62.20 H new ATOM 0 HZ3 LYS A 15 -0.055 -15.126 1.245 1.00 62.20 H new ATOM 184 N PHE A 16 2.279 -11.373 6.968 1.00 32.11 N ATOM 185 CA PHE A 16 3.415 -11.917 7.703 1.00 72.53 C ATOM 186 C PHE A 16 3.386 -11.467 9.160 1.00 5.42 C ATOM 187 O PHE A 16 3.561 -12.273 10.075 1.00 44.30 O ATOM 188 CB PHE A 16 4.728 -11.483 7.048 1.00 31.32 C ATOM 189 CG PHE A 16 5.946 -11.858 7.843 1.00 63.15 C ATOM 190 CD1 PHE A 16 6.413 -13.163 7.846 1.00 10.31 C ATOM 191 CD2 PHE A 16 6.625 -10.906 8.586 1.00 13.12 C ATOM 192 CE1 PHE A 16 7.534 -13.511 8.576 1.00 41.03 C ATOM 193 CE2 PHE A 16 7.747 -11.248 9.317 1.00 35.23 C ATOM 194 CZ PHE A 16 8.201 -12.552 9.313 1.00 21.50 C ATOM 0 H PHE A 16 2.521 -10.643 6.298 1.00 32.11 H new ATOM 0 HA PHE A 16 3.346 -13.005 7.676 1.00 72.53 H new ATOM 0 HB2 PHE A 16 4.797 -11.933 6.058 1.00 31.32 H new ATOM 0 HB3 PHE A 16 4.715 -10.402 6.907 1.00 31.32 H new ATOM 0 HD1 PHE A 16 5.895 -13.917 7.271 1.00 10.31 H new ATOM 0 HD2 PHE A 16 6.274 -9.885 8.594 1.00 13.12 H new ATOM 0 HE1 PHE A 16 7.888 -14.531 8.570 1.00 41.03 H new ATOM 0 HE2 PHE A 16 8.268 -10.496 9.891 1.00 35.23 H new ATOM 0 HZ PHE A 16 9.076 -12.822 9.885 1.00 21.50 H new ATOM 204 N LEU A 17 3.166 -10.173 9.369 1.00 74.42 N ATOM 205 CA LEU A 17 3.115 -9.613 10.715 1.00 74.32 C ATOM 206 C LEU A 17 1.866 -10.084 11.454 1.00 62.43 C ATOM 207 O LEU A 17 1.906 -10.341 12.657 1.00 55.15 O ATOM 208 CB LEU A 17 3.139 -8.085 10.654 1.00 72.02 C ATOM 209 CG LEU A 17 1.854 -7.412 10.171 1.00 75.25 C ATOM 210 CD1 LEU A 17 1.123 -6.758 11.333 1.00 24.44 C ATOM 211 CD2 LEU A 17 2.162 -6.388 9.088 1.00 2.35 C ATOM 0 H LEU A 17 3.020 -9.492 8.623 1.00 74.42 H new ATOM 0 HA LEU A 17 3.991 -9.963 11.261 1.00 74.32 H new ATOM 0 HB2 LEU A 17 3.372 -7.705 11.649 1.00 72.02 H new ATOM 0 HB3 LEU A 17 3.954 -7.780 9.997 1.00 72.02 H new ATOM 0 HG LEU A 17 1.205 -8.177 9.745 1.00 75.25 H new ATOM 0 HD11 LEU A 17 0.211 -6.284 10.969 1.00 24.44 H new ATOM 0 HD12 LEU A 17 0.868 -7.515 12.075 1.00 24.44 H new ATOM 0 HD13 LEU A 17 1.765 -6.005 11.790 1.00 24.44 H new ATOM 0 HD21 LEU A 17 1.235 -5.919 8.756 1.00 2.35 H new ATOM 0 HD22 LEU A 17 2.831 -5.626 9.487 1.00 2.35 H new ATOM 0 HD23 LEU A 17 2.640 -6.884 8.243 1.00 2.35 H new ATOM 223 N GLU A 18 0.760 -10.198 10.724 1.00 5.24 N ATOM 224 CA GLU A 18 -0.499 -10.640 11.311 1.00 10.25 C ATOM 225 C GLU A 18 -0.502 -12.152 11.518 1.00 0.33 C ATOM 226 O GLU A 18 -1.311 -12.682 12.278 1.00 31.43 O ATOM 227 CB GLU A 18 -1.674 -10.234 10.419 1.00 44.21 C ATOM 228 CG GLU A 18 -1.961 -11.225 9.304 1.00 55.24 C ATOM 229 CD GLU A 18 -2.918 -12.321 9.730 1.00 71.30 C ATOM 230 OE1 GLU A 18 -3.919 -12.005 10.407 1.00 5.43 O ATOM 231 OE2 GLU A 18 -2.667 -13.495 9.387 1.00 23.30 O ATOM 0 H GLU A 18 0.711 -9.991 9.727 1.00 5.24 H new ATOM 0 HA GLU A 18 -0.606 -10.157 12.282 1.00 10.25 H new ATOM 0 HB2 GLU A 18 -2.566 -10.125 11.035 1.00 44.21 H new ATOM 0 HB3 GLU A 18 -1.467 -9.257 9.982 1.00 44.21 H new ATOM 0 HG2 GLU A 18 -2.380 -10.694 8.450 1.00 55.24 H new ATOM 0 HG3 GLU A 18 -1.025 -11.674 8.972 1.00 55.24 H new ATOM 238 N GLU A 19 0.409 -12.838 10.835 1.00 31.34 N ATOM 239 CA GLU A 19 0.510 -14.289 10.943 1.00 1.03 C ATOM 240 C GLU A 19 0.918 -14.702 12.354 1.00 21.54 C ATOM 241 O GLU A 19 0.706 -15.844 12.765 1.00 62.43 O ATOM 242 CB GLU A 19 1.521 -14.829 9.929 1.00 1.35 C ATOM 243 CG GLU A 19 1.887 -16.287 10.151 1.00 15.34 C ATOM 244 CD GLU A 19 2.308 -16.984 8.872 1.00 14.14 C ATOM 245 OE1 GLU A 19 2.883 -16.310 7.992 1.00 73.11 O ATOM 246 OE2 GLU A 19 2.062 -18.202 8.751 1.00 20.15 O ATOM 0 H GLU A 19 1.087 -12.413 10.202 1.00 31.34 H new ATOM 0 HA GLU A 19 -0.471 -14.713 10.728 1.00 1.03 H new ATOM 0 HB2 GLU A 19 1.112 -14.715 8.925 1.00 1.35 H new ATOM 0 HB3 GLU A 19 2.427 -14.225 9.975 1.00 1.35 H new ATOM 0 HG2 GLU A 19 2.698 -16.348 10.877 1.00 15.34 H new ATOM 0 HG3 GLU A 19 1.033 -16.810 10.582 1.00 15.34 H new ATOM 253 N LEU A 20 1.505 -13.767 13.092 1.00 12.52 N ATOM 254 CA LEU A 20 1.944 -14.032 14.458 1.00 73.32 C ATOM 255 C LEU A 20 1.189 -13.156 15.453 1.00 71.53 C ATOM 256 O LEU A 20 1.069 -13.497 16.629 1.00 52.03 O ATOM 257 CB LEU A 20 3.449 -13.790 14.587 1.00 34.11 C ATOM 258 CG LEU A 20 3.907 -12.337 14.465 1.00 44.34 C ATOM 259 CD1 LEU A 20 4.953 -12.016 15.521 1.00 24.31 C ATOM 260 CD2 LEU A 20 4.454 -12.066 13.071 1.00 44.34 C ATOM 0 H LEU A 20 1.688 -12.818 12.767 1.00 12.52 H new ATOM 0 HA LEU A 20 1.729 -15.076 14.686 1.00 73.32 H new ATOM 0 HB2 LEU A 20 3.777 -14.174 15.553 1.00 34.11 H new ATOM 0 HB3 LEU A 20 3.958 -14.376 13.822 1.00 34.11 H new ATOM 0 HG LEU A 20 3.045 -11.690 14.628 1.00 44.34 H new ATOM 0 HD11 LEU A 20 5.267 -10.977 15.418 1.00 24.31 H new ATOM 0 HD12 LEU A 20 4.528 -12.170 16.513 1.00 24.31 H new ATOM 0 HD13 LEU A 20 5.815 -12.670 15.390 1.00 24.31 H new ATOM 0 HD21 LEU A 20 4.775 -11.027 13.002 1.00 44.34 H new ATOM 0 HD22 LEU A 20 5.303 -12.722 12.879 1.00 44.34 H new ATOM 0 HD23 LEU A 20 3.676 -12.255 12.332 1.00 44.34 H new ATOM 272 N GLY A 21 0.680 -12.026 14.971 1.00 34.52 N ATOM 273 CA GLY A 21 -0.059 -11.120 15.831 1.00 72.32 C ATOM 274 C GLY A 21 -0.173 -9.727 15.244 1.00 64.32 C ATOM 275 O GLY A 21 0.825 -9.018 15.116 1.00 31.23 O ATOM 0 H GLY A 21 0.766 -11.722 14.001 1.00 34.52 H new ATOM 0 HA2 GLY A 21 -1.058 -11.521 16.003 1.00 72.32 H new ATOM 0 HA3 GLY A 21 0.433 -11.063 16.802 1.00 72.32 H new ATOM 279 N GLU A 22 -1.391 -9.336 14.884 1.00 0.43 N ATOM 280 CA GLU A 22 -1.629 -8.019 14.305 1.00 53.20 C ATOM 281 C GLU A 22 -1.303 -6.916 15.308 1.00 34.01 C ATOM 282 O GLU A 22 -1.981 -6.765 16.324 1.00 72.43 O ATOM 283 CB GLU A 22 -3.084 -7.894 13.848 1.00 13.10 C ATOM 284 CG GLU A 22 -3.340 -6.695 12.951 1.00 44.33 C ATOM 285 CD GLU A 22 -3.534 -5.411 13.734 1.00 43.21 C ATOM 286 OE1 GLU A 22 -4.132 -5.469 14.829 1.00 60.23 O ATOM 287 OE2 GLU A 22 -3.088 -4.348 13.253 1.00 60.44 O ATOM 0 H GLU A 22 -2.227 -9.911 14.983 1.00 0.43 H new ATOM 0 HA GLU A 22 -0.973 -7.906 13.442 1.00 53.20 H new ATOM 0 HB2 GLU A 22 -3.368 -8.802 13.316 1.00 13.10 H new ATOM 0 HB3 GLU A 22 -3.727 -7.824 14.726 1.00 13.10 H new ATOM 0 HG2 GLU A 22 -2.502 -6.574 12.264 1.00 44.33 H new ATOM 0 HG3 GLU A 22 -4.225 -6.883 12.344 1.00 44.33 H new ATOM 294 N GLY A 23 -0.259 -6.147 15.015 1.00 60.00 N ATOM 295 CA GLY A 23 0.140 -5.069 15.900 1.00 11.53 C ATOM 296 C GLY A 23 1.187 -5.502 16.907 1.00 33.12 C ATOM 297 O GLY A 23 1.328 -4.895 17.969 1.00 55.42 O ATOM 0 H GLY A 23 0.318 -6.252 14.180 1.00 60.00 H new ATOM 0 HA2 GLY A 23 0.531 -4.242 15.307 1.00 11.53 H new ATOM 0 HA3 GLY A 23 -0.736 -4.695 16.430 1.00 11.53 H new ATOM 301 N LYS A 24 1.923 -6.557 16.576 1.00 60.24 N ATOM 302 CA LYS A 24 2.963 -7.073 17.458 1.00 34.22 C ATOM 303 C LYS A 24 4.345 -6.639 16.982 1.00 63.51 C ATOM 304 O LYS A 24 4.470 -5.853 16.044 1.00 44.12 O ATOM 305 CB LYS A 24 2.891 -8.600 17.526 1.00 31.44 C ATOM 306 CG LYS A 24 1.580 -9.123 18.088 1.00 71.23 C ATOM 307 CD LYS A 24 1.298 -8.554 19.468 1.00 53.21 C ATOM 308 CE LYS A 24 2.391 -8.926 20.458 1.00 14.43 C ATOM 309 NZ LYS A 24 3.356 -7.810 20.663 1.00 30.45 N ATOM 0 H LYS A 24 1.818 -7.072 15.702 1.00 60.24 H new ATOM 0 HA LYS A 24 2.796 -6.663 18.454 1.00 34.22 H new ATOM 0 HB2 LYS A 24 3.036 -9.007 16.525 1.00 31.44 H new ATOM 0 HB3 LYS A 24 3.712 -8.967 18.141 1.00 31.44 H new ATOM 0 HG2 LYS A 24 0.765 -8.863 17.413 1.00 71.23 H new ATOM 0 HG3 LYS A 24 1.615 -10.211 18.142 1.00 71.23 H new ATOM 0 HD2 LYS A 24 1.216 -7.469 19.406 1.00 53.21 H new ATOM 0 HD3 LYS A 24 0.338 -8.926 19.827 1.00 53.21 H new ATOM 0 HE2 LYS A 24 1.940 -9.196 21.413 1.00 14.43 H new ATOM 0 HE3 LYS A 24 2.924 -9.806 20.097 1.00 14.43 H new ATOM 0 HZ1 LYS A 24 3.793 -7.897 21.603 1.00 30.45 H new ATOM 0 HZ2 LYS A 24 4.095 -7.851 19.932 1.00 30.45 H new ATOM 0 HZ3 LYS A 24 2.855 -6.901 20.597 1.00 30.45 H new ATOM 323 N ALA A 25 5.381 -7.159 17.634 1.00 55.32 N ATOM 324 CA ALA A 25 6.754 -6.828 17.274 1.00 13.42 C ATOM 325 C ALA A 25 7.431 -7.993 16.561 1.00 73.11 C ATOM 326 O ALA A 25 7.024 -9.146 16.708 1.00 31.12 O ATOM 327 CB ALA A 25 7.544 -6.434 18.514 1.00 73.24 C ATOM 0 H ALA A 25 5.295 -7.811 18.414 1.00 55.32 H new ATOM 0 HA ALA A 25 6.730 -5.982 16.588 1.00 13.42 H new ATOM 0 HB1 ALA A 25 8.568 -6.189 18.231 1.00 73.24 H new ATOM 0 HB2 ALA A 25 7.079 -5.566 18.981 1.00 73.24 H new ATOM 0 HB3 ALA A 25 7.552 -7.265 19.220 1.00 73.24 H new ATOM 333 N THR A 26 8.466 -7.686 15.786 1.00 4.30 N ATOM 334 CA THR A 26 9.199 -8.707 15.048 1.00 34.22 C ATOM 335 C THR A 26 10.612 -8.241 14.720 1.00 42.15 C ATOM 336 O THR A 26 10.981 -7.099 14.996 1.00 23.04 O ATOM 337 CB THR A 26 8.477 -9.081 13.740 1.00 34.51 C ATOM 338 OG1 THR A 26 9.090 -10.236 13.155 1.00 14.21 O ATOM 339 CG2 THR A 26 8.513 -7.926 12.752 1.00 44.42 C ATOM 0 H THR A 26 8.816 -6.737 15.653 1.00 4.30 H new ATOM 0 HA THR A 26 9.250 -9.586 15.691 1.00 34.22 H new ATOM 0 HB THR A 26 7.436 -9.303 13.976 1.00 34.51 H new ATOM 0 HG1 THR A 26 8.624 -10.468 12.325 1.00 14.21 H new ATOM 0 HG21 THR A 26 7.997 -8.214 11.836 1.00 44.42 H new ATOM 0 HG22 THR A 26 8.019 -7.058 13.189 1.00 44.42 H new ATOM 0 HG23 THR A 26 9.549 -7.677 12.522 1.00 44.42 H new ATOM 347 N THR A 27 11.401 -9.131 14.126 1.00 23.32 N ATOM 348 CA THR A 27 12.775 -8.811 13.760 1.00 61.00 C ATOM 349 C THR A 27 13.036 -9.111 12.288 1.00 10.23 C ATOM 350 O THR A 27 12.233 -9.768 11.627 1.00 34.12 O ATOM 351 CB THR A 27 13.783 -9.597 14.619 1.00 64.31 C ATOM 352 OG1 THR A 27 13.771 -10.980 14.246 1.00 3.21 O ATOM 353 CG2 THR A 27 13.455 -9.463 16.098 1.00 11.21 C ATOM 0 H THR A 27 11.111 -10.080 13.888 1.00 23.32 H new ATOM 0 HA THR A 27 12.910 -7.744 13.940 1.00 61.00 H new ATOM 0 HB THR A 27 14.776 -9.182 14.445 1.00 64.31 H new ATOM 0 HG1 THR A 27 14.416 -11.473 14.796 1.00 3.21 H new ATOM 0 HG21 THR A 27 14.181 -10.027 16.684 1.00 11.21 H new ATOM 0 HG22 THR A 27 13.494 -8.412 16.386 1.00 11.21 H new ATOM 0 HG23 THR A 27 12.455 -9.854 16.286 1.00 11.21 H new ATOM 361 N ALA A 28 14.164 -8.625 11.781 1.00 24.33 N ATOM 362 CA ALA A 28 14.532 -8.844 10.388 1.00 61.11 C ATOM 363 C ALA A 28 14.821 -10.318 10.121 1.00 13.51 C ATOM 364 O ALA A 28 14.561 -10.823 9.029 1.00 61.52 O ATOM 365 CB ALA A 28 15.739 -7.993 10.021 1.00 73.14 C ATOM 0 H ALA A 28 14.839 -8.077 12.314 1.00 24.33 H new ATOM 0 HA ALA A 28 13.689 -8.547 9.765 1.00 61.11 H new ATOM 0 HB1 ALA A 28 16.003 -8.167 8.978 1.00 73.14 H new ATOM 0 HB2 ALA A 28 15.498 -6.940 10.164 1.00 73.14 H new ATOM 0 HB3 ALA A 28 16.581 -8.262 10.658 1.00 73.14 H new ATOM 371 N HIS A 29 15.360 -11.002 11.125 1.00 13.53 N ATOM 372 CA HIS A 29 15.684 -12.418 10.999 1.00 72.05 C ATOM 373 C HIS A 29 14.458 -13.219 10.570 1.00 23.51 C ATOM 374 O HIS A 29 14.536 -14.060 9.674 1.00 43.44 O ATOM 375 CB HIS A 29 16.225 -12.960 12.322 1.00 13.41 C ATOM 376 CG HIS A 29 16.832 -14.324 12.207 1.00 4.35 C ATOM 377 ND1 HIS A 29 16.082 -15.476 12.110 1.00 32.33 N ATOM 378 CD2 HIS A 29 18.127 -14.716 12.173 1.00 5.10 C ATOM 379 CE1 HIS A 29 16.889 -16.519 12.023 1.00 53.42 C ATOM 380 NE2 HIS A 29 18.136 -16.084 12.058 1.00 34.31 N ATOM 0 H HIS A 29 15.582 -10.598 12.035 1.00 13.53 H new ATOM 0 HA HIS A 29 16.452 -12.523 10.232 1.00 72.05 H new ATOM 0 HB2 HIS A 29 16.974 -12.269 12.709 1.00 13.41 H new ATOM 0 HB3 HIS A 29 15.415 -12.992 13.050 1.00 13.41 H new ATOM 0 HD2 HIS A 29 18.992 -14.072 12.226 1.00 5.10 H new ATOM 0 HE1 HIS A 29 16.582 -17.551 11.938 1.00 53.42 H new ATOM 0 HE2 HIS A 29 18.970 -16.669 12.008 1.00 34.31 H new ATOM 388 N ASP A 30 13.329 -12.955 11.217 1.00 54.30 N ATOM 389 CA ASP A 30 12.086 -13.651 10.903 1.00 44.01 C ATOM 390 C ASP A 30 11.531 -13.192 9.558 1.00 23.11 C ATOM 391 O ASP A 30 10.961 -13.984 8.807 1.00 62.33 O ATOM 392 CB ASP A 30 11.051 -13.414 12.004 1.00 44.33 C ATOM 393 CG ASP A 30 10.391 -14.698 12.464 1.00 72.31 C ATOM 394 OD1 ASP A 30 9.545 -15.231 11.716 1.00 52.11 O ATOM 395 OD2 ASP A 30 10.719 -15.171 13.573 1.00 42.54 O ATOM 0 H ASP A 30 13.248 -12.264 11.963 1.00 54.30 H new ATOM 0 HA ASP A 30 12.301 -14.718 10.842 1.00 44.01 H new ATOM 0 HB2 ASP A 30 11.533 -12.932 12.854 1.00 44.33 H new ATOM 0 HB3 ASP A 30 10.288 -12.727 11.639 1.00 44.33 H new ATOM 400 N LEU A 31 11.701 -11.908 9.261 1.00 35.41 N ATOM 401 CA LEU A 31 11.216 -11.343 8.007 1.00 54.12 C ATOM 402 C LEU A 31 11.924 -11.977 6.814 1.00 51.31 C ATOM 403 O LEU A 31 11.290 -12.601 5.963 1.00 64.00 O ATOM 404 CB LEU A 31 11.425 -9.828 7.993 1.00 42.31 C ATOM 405 CG LEU A 31 10.471 -9.010 8.865 1.00 65.21 C ATOM 406 CD1 LEU A 31 11.169 -7.769 9.399 1.00 14.24 C ATOM 407 CD2 LEU A 31 9.226 -8.628 8.079 1.00 13.11 C ATOM 0 H LEU A 31 12.171 -11.239 9.871 1.00 35.41 H new ATOM 0 HA LEU A 31 10.150 -11.557 7.929 1.00 54.12 H new ATOM 0 HB2 LEU A 31 12.446 -9.619 8.312 1.00 42.31 H new ATOM 0 HB3 LEU A 31 11.335 -9.479 6.964 1.00 42.31 H new ATOM 0 HG LEU A 31 10.166 -9.624 9.713 1.00 65.21 H new ATOM 0 HD11 LEU A 31 10.475 -7.199 10.017 1.00 14.24 H new ATOM 0 HD12 LEU A 31 12.030 -8.065 9.998 1.00 14.24 H new ATOM 0 HD13 LEU A 31 11.503 -7.152 8.565 1.00 14.24 H new ATOM 0 HD21 LEU A 31 8.558 -8.046 8.715 1.00 13.11 H new ATOM 0 HD22 LEU A 31 9.512 -8.032 7.212 1.00 13.11 H new ATOM 0 HD23 LEU A 31 8.715 -9.531 7.746 1.00 13.11 H new ATOM 419 N SER A 32 13.242 -11.813 6.760 1.00 70.44 N ATOM 420 CA SER A 32 14.037 -12.368 5.670 1.00 32.22 C ATOM 421 C SER A 32 14.015 -13.893 5.704 1.00 25.32 C ATOM 422 O SER A 32 14.311 -14.552 4.708 1.00 53.11 O ATOM 423 CB SER A 32 15.479 -11.865 5.755 1.00 0.12 C ATOM 424 OG SER A 32 16.055 -12.176 7.012 1.00 35.42 O ATOM 0 H SER A 32 13.782 -11.301 7.458 1.00 70.44 H new ATOM 0 HA SER A 32 13.599 -12.037 4.728 1.00 32.22 H new ATOM 0 HB2 SER A 32 16.072 -12.315 4.959 1.00 0.12 H new ATOM 0 HB3 SER A 32 15.501 -10.787 5.598 1.00 0.12 H new ATOM 0 HG SER A 32 15.641 -11.623 7.707 1.00 35.42 H new ATOM 430 N GLY A 33 13.664 -14.449 6.860 1.00 14.51 N ATOM 431 CA GLY A 33 13.610 -15.892 7.004 1.00 41.40 C ATOM 432 C GLY A 33 12.467 -16.510 6.223 1.00 24.14 C ATOM 433 O GLY A 33 12.656 -17.491 5.503 1.00 1.15 O ATOM 0 H GLY A 33 13.416 -13.925 7.699 1.00 14.51 H new ATOM 0 HA2 GLY A 33 14.552 -16.323 6.666 1.00 41.40 H new ATOM 0 HA3 GLY A 33 13.504 -16.145 8.059 1.00 41.40 H new ATOM 437 N LYS A 34 11.277 -15.937 6.366 1.00 20.33 N ATOM 438 CA LYS A 34 10.098 -16.438 5.670 1.00 50.24 C ATOM 439 C LYS A 34 9.902 -15.713 4.342 1.00 62.23 C ATOM 440 O LYS A 34 9.734 -16.344 3.297 1.00 23.33 O ATOM 441 CB LYS A 34 8.853 -16.268 6.544 1.00 43.03 C ATOM 442 CG LYS A 34 8.904 -17.065 7.836 1.00 61.03 C ATOM 443 CD LYS A 34 8.826 -18.560 7.572 1.00 1.53 C ATOM 444 CE LYS A 34 8.542 -19.336 8.849 1.00 63.32 C ATOM 445 NZ LYS A 34 9.796 -19.767 9.527 1.00 44.23 N ATOM 0 H LYS A 34 11.103 -15.125 6.958 1.00 20.33 H new ATOM 0 HA LYS A 34 10.250 -17.498 5.467 1.00 50.24 H new ATOM 0 HB2 LYS A 34 8.728 -15.212 6.783 1.00 43.03 H new ATOM 0 HB3 LYS A 34 7.975 -16.571 5.974 1.00 43.03 H new ATOM 0 HG2 LYS A 34 9.827 -16.836 8.370 1.00 61.03 H new ATOM 0 HG3 LYS A 34 8.079 -16.765 8.482 1.00 61.03 H new ATOM 0 HD2 LYS A 34 8.043 -18.761 6.841 1.00 1.53 H new ATOM 0 HD3 LYS A 34 9.765 -18.903 7.137 1.00 1.53 H new ATOM 0 HE2 LYS A 34 7.957 -18.716 9.528 1.00 63.32 H new ATOM 0 HE3 LYS A 34 7.936 -20.212 8.615 1.00 63.32 H new ATOM 0 HZ1 LYS A 34 9.560 -20.293 10.393 1.00 44.23 H new ATOM 0 HZ2 LYS A 34 10.343 -20.379 8.889 1.00 44.23 H new ATOM 0 HZ3 LYS A 34 10.362 -18.930 9.774 1.00 44.23 H new ATOM 459 N LEU A 35 9.926 -14.386 4.388 1.00 2.12 N ATOM 460 CA LEU A 35 9.753 -13.575 3.188 1.00 51.00 C ATOM 461 C LEU A 35 10.904 -13.795 2.211 1.00 12.14 C ATOM 462 O LEU A 35 10.784 -13.510 1.021 1.00 41.24 O ATOM 463 CB LEU A 35 9.659 -12.094 3.558 1.00 4.25 C ATOM 464 CG LEU A 35 8.674 -11.742 4.673 1.00 0.35 C ATOM 465 CD1 LEU A 35 8.678 -10.244 4.936 1.00 2.22 C ATOM 466 CD2 LEU A 35 7.273 -12.219 4.318 1.00 45.22 C ATOM 0 H LEU A 35 10.064 -13.848 5.244 1.00 2.12 H new ATOM 0 HA LEU A 35 8.826 -13.881 2.703 1.00 51.00 H new ATOM 0 HB2 LEU A 35 10.650 -11.751 3.854 1.00 4.25 H new ATOM 0 HB3 LEU A 35 9.381 -11.534 2.665 1.00 4.25 H new ATOM 0 HG LEU A 35 8.990 -12.251 5.584 1.00 0.35 H new ATOM 0 HD11 LEU A 35 7.971 -10.013 5.733 1.00 2.22 H new ATOM 0 HD12 LEU A 35 9.678 -9.930 5.236 1.00 2.22 H new ATOM 0 HD13 LEU A 35 8.388 -9.714 4.028 1.00 2.22 H new ATOM 0 HD21 LEU A 35 6.585 -11.960 5.123 1.00 45.22 H new ATOM 0 HD22 LEU A 35 6.948 -11.739 3.395 1.00 45.22 H new ATOM 0 HD23 LEU A 35 7.281 -13.300 4.181 1.00 45.22 H new ATOM 478 N GLY A 36 12.019 -14.306 2.724 1.00 30.31 N ATOM 479 CA GLY A 36 13.175 -14.558 1.883 1.00 34.12 C ATOM 480 C GLY A 36 13.718 -13.292 1.250 1.00 30.44 C ATOM 481 O GLY A 36 14.404 -13.344 0.229 1.00 73.12 O ATOM 0 H GLY A 36 12.143 -14.550 3.707 1.00 30.31 H new ATOM 0 HA2 GLY A 36 13.958 -15.028 2.478 1.00 34.12 H new ATOM 0 HA3 GLY A 36 12.903 -15.265 1.099 1.00 34.12 H new ATOM 485 N THR A 37 13.410 -12.150 1.857 1.00 24.01 N ATOM 486 CA THR A 37 13.870 -10.865 1.345 1.00 32.14 C ATOM 487 C THR A 37 15.228 -10.494 1.931 1.00 54.14 C ATOM 488 O THR A 37 15.641 -11.003 2.973 1.00 44.44 O ATOM 489 CB THR A 37 12.863 -9.742 1.661 1.00 64.43 C ATOM 490 OG1 THR A 37 12.138 -10.056 2.855 1.00 3.31 O ATOM 491 CG2 THR A 37 11.891 -9.548 0.507 1.00 13.03 C ATOM 0 H THR A 37 12.844 -12.089 2.703 1.00 24.01 H new ATOM 0 HA THR A 37 13.960 -10.969 0.264 1.00 32.14 H new ATOM 0 HB THR A 37 13.418 -8.816 1.807 1.00 64.43 H new ATOM 0 HG1 THR A 37 11.501 -9.337 3.050 1.00 3.31 H new ATOM 0 HG21 THR A 37 11.190 -8.751 0.752 1.00 13.03 H new ATOM 0 HG22 THR A 37 12.444 -9.281 -0.393 1.00 13.03 H new ATOM 0 HG23 THR A 37 11.342 -10.474 0.334 1.00 13.03 H new ATOM 499 N PRO A 38 15.939 -9.585 1.247 1.00 21.30 N ATOM 500 CA PRO A 38 17.261 -9.125 1.682 1.00 41.21 C ATOM 501 C PRO A 38 17.191 -8.267 2.941 1.00 40.03 C ATOM 502 O PRO A 38 16.417 -7.312 3.012 1.00 42.04 O ATOM 503 CB PRO A 38 17.755 -8.294 0.495 1.00 3.33 C ATOM 504 CG PRO A 38 16.514 -7.836 -0.189 1.00 40.45 C ATOM 505 CD PRO A 38 15.508 -8.937 -0.003 1.00 35.12 C ATOM 0 HA PRO A 38 17.917 -9.956 1.941 1.00 41.21 H new ATOM 0 HB2 PRO A 38 18.359 -7.449 0.827 1.00 3.33 H new ATOM 0 HB3 PRO A 38 18.379 -8.889 -0.173 1.00 3.33 H new ATOM 0 HG2 PRO A 38 16.154 -6.902 0.241 1.00 40.45 H new ATOM 0 HG3 PRO A 38 16.698 -7.650 -1.247 1.00 40.45 H new ATOM 0 HD2 PRO A 38 14.494 -8.546 0.076 1.00 35.12 H new ATOM 0 HD3 PRO A 38 15.516 -9.634 -0.841 1.00 35.12 H new ATOM 513 N LYS A 39 18.004 -8.613 3.933 1.00 43.12 N ATOM 514 CA LYS A 39 18.037 -7.874 5.189 1.00 14.13 C ATOM 515 C LYS A 39 18.265 -6.386 4.940 1.00 35.40 C ATOM 516 O LYS A 39 17.657 -5.537 5.591 1.00 13.34 O ATOM 517 CB LYS A 39 19.137 -8.424 6.100 1.00 12.30 C ATOM 518 CG LYS A 39 18.718 -9.655 6.884 1.00 23.40 C ATOM 519 CD LYS A 39 19.034 -10.933 6.125 1.00 73.41 C ATOM 520 CE LYS A 39 19.003 -12.148 7.040 1.00 14.44 C ATOM 521 NZ LYS A 39 18.744 -13.405 6.286 1.00 52.14 N ATOM 0 H LYS A 39 18.650 -9.402 3.891 1.00 43.12 H new ATOM 0 HA LYS A 39 17.072 -7.998 5.680 1.00 14.13 H new ATOM 0 HB2 LYS A 39 20.010 -8.669 5.495 1.00 12.30 H new ATOM 0 HB3 LYS A 39 19.442 -7.645 6.799 1.00 12.30 H new ATOM 0 HG2 LYS A 39 19.230 -9.666 7.846 1.00 23.40 H new ATOM 0 HG3 LYS A 39 17.649 -9.609 7.092 1.00 23.40 H new ATOM 0 HD2 LYS A 39 18.313 -11.066 5.318 1.00 73.41 H new ATOM 0 HD3 LYS A 39 20.018 -10.849 5.663 1.00 73.41 H new ATOM 0 HE2 LYS A 39 19.954 -12.230 7.567 1.00 14.44 H new ATOM 0 HE3 LYS A 39 18.230 -12.013 7.797 1.00 14.44 H new ATOM 0 HZ1 LYS A 39 19.134 -14.212 6.813 1.00 52.14 H new ATOM 0 HZ2 LYS A 39 17.719 -13.533 6.165 1.00 52.14 H new ATOM 0 HZ3 LYS A 39 19.198 -13.349 5.352 1.00 52.14 H new ATOM 535 N LYS A 40 19.143 -6.078 3.992 1.00 0.11 N ATOM 536 CA LYS A 40 19.450 -4.693 3.654 1.00 73.21 C ATOM 537 C LYS A 40 18.181 -3.928 3.292 1.00 40.32 C ATOM 538 O LYS A 40 18.144 -2.700 3.366 1.00 22.00 O ATOM 539 CB LYS A 40 20.441 -4.639 2.489 1.00 10.43 C ATOM 540 CG LYS A 40 19.986 -5.415 1.266 1.00 35.20 C ATOM 541 CD LYS A 40 20.785 -6.695 1.089 1.00 60.24 C ATOM 542 CE LYS A 40 22.246 -6.402 0.782 1.00 74.01 C ATOM 543 NZ LYS A 40 23.155 -6.975 1.813 1.00 73.02 N ATOM 0 H LYS A 40 19.655 -6.769 3.444 1.00 0.11 H new ATOM 0 HA LYS A 40 19.900 -4.222 4.528 1.00 73.21 H new ATOM 0 HB2 LYS A 40 20.603 -3.598 2.209 1.00 10.43 H new ATOM 0 HB3 LYS A 40 21.402 -5.032 2.822 1.00 10.43 H new ATOM 0 HG2 LYS A 40 18.927 -5.656 1.360 1.00 35.20 H new ATOM 0 HG3 LYS A 40 20.093 -4.792 0.378 1.00 35.20 H new ATOM 0 HD2 LYS A 40 20.716 -7.296 1.995 1.00 60.24 H new ATOM 0 HD3 LYS A 40 20.354 -7.286 0.281 1.00 60.24 H new ATOM 0 HE2 LYS A 40 22.501 -6.812 -0.195 1.00 74.01 H new ATOM 0 HE3 LYS A 40 22.396 -5.324 0.724 1.00 74.01 H new ATOM 0 HZ1 LYS A 40 24.141 -6.754 1.568 1.00 73.02 H new ATOM 0 HZ2 LYS A 40 22.929 -6.565 2.742 1.00 73.02 H new ATOM 0 HZ3 LYS A 40 23.031 -8.007 1.850 1.00 73.02 H new ATOM 557 N GLU A 41 17.143 -4.662 2.902 1.00 45.55 N ATOM 558 CA GLU A 41 15.873 -4.050 2.529 1.00 62.01 C ATOM 559 C GLU A 41 15.006 -3.803 3.760 1.00 24.03 C ATOM 560 O GLU A 41 14.724 -2.658 4.114 1.00 43.31 O ATOM 561 CB GLU A 41 15.125 -4.941 1.535 1.00 31.03 C ATOM 562 CG GLU A 41 13.760 -4.401 1.142 1.00 62.14 C ATOM 563 CD GLU A 41 13.845 -3.068 0.423 1.00 22.42 C ATOM 564 OE1 GLU A 41 14.301 -3.048 -0.739 1.00 74.43 O ATOM 565 OE2 GLU A 41 13.456 -2.045 1.024 1.00 34.33 O ATOM 0 H GLU A 41 17.157 -5.680 2.836 1.00 45.55 H new ATOM 0 HA GLU A 41 16.086 -3.091 2.057 1.00 62.01 H new ATOM 0 HB2 GLU A 41 15.732 -5.059 0.637 1.00 31.03 H new ATOM 0 HB3 GLU A 41 15.003 -5.933 1.970 1.00 31.03 H new ATOM 0 HG2 GLU A 41 13.258 -5.125 0.500 1.00 62.14 H new ATOM 0 HG3 GLU A 41 13.147 -4.289 2.036 1.00 62.14 H new ATOM 572 N ILE A 42 14.587 -4.885 4.408 1.00 41.21 N ATOM 573 CA ILE A 42 13.753 -4.786 5.599 1.00 2.13 C ATOM 574 C ILE A 42 14.433 -3.950 6.678 1.00 11.42 C ATOM 575 O ILE A 42 13.769 -3.348 7.522 1.00 51.13 O ATOM 576 CB ILE A 42 13.426 -6.177 6.174 1.00 14.31 C ATOM 577 CG1 ILE A 42 14.642 -7.098 6.062 1.00 74.42 C ATOM 578 CG2 ILE A 42 12.229 -6.779 5.453 1.00 20.32 C ATOM 579 CD1 ILE A 42 14.518 -8.130 4.963 1.00 64.24 C ATOM 0 H ILE A 42 14.811 -5.840 4.128 1.00 41.21 H new ATOM 0 HA ILE A 42 12.826 -4.300 5.296 1.00 2.13 H new ATOM 0 HB ILE A 42 13.173 -6.068 7.229 1.00 14.31 H new ATOM 0 HG12 ILE A 42 15.531 -6.493 5.883 1.00 74.42 H new ATOM 0 HG13 ILE A 42 14.790 -7.608 7.014 1.00 74.42 H new ATOM 0 HG21 ILE A 42 12.010 -7.762 5.870 1.00 20.32 H new ATOM 0 HG22 ILE A 42 11.363 -6.129 5.580 1.00 20.32 H new ATOM 0 HG23 ILE A 42 12.456 -6.878 4.391 1.00 20.32 H new ATOM 0 HD11 ILE A 42 15.416 -8.748 4.941 1.00 64.24 H new ATOM 0 HD12 ILE A 42 13.648 -8.760 5.152 1.00 64.24 H new ATOM 0 HD13 ILE A 42 14.401 -7.627 4.003 1.00 64.24 H new ATOM 591 N ALA A 43 15.761 -3.915 6.644 1.00 70.35 N ATOM 592 CA ALA A 43 16.531 -3.149 7.616 1.00 70.52 C ATOM 593 C ALA A 43 16.586 -1.674 7.234 1.00 74.24 C ATOM 594 O ALA A 43 16.767 -0.808 8.089 1.00 4.02 O ATOM 595 CB ALA A 43 17.937 -3.717 7.740 1.00 3.21 C ATOM 0 H ALA A 43 16.326 -4.409 5.953 1.00 70.35 H new ATOM 0 HA ALA A 43 16.032 -3.228 8.582 1.00 70.52 H new ATOM 0 HB1 ALA A 43 18.501 -3.136 8.469 1.00 3.21 H new ATOM 0 HB2 ALA A 43 17.882 -4.755 8.068 1.00 3.21 H new ATOM 0 HB3 ALA A 43 18.436 -3.668 6.772 1.00 3.21 H new ATOM 601 N ARG A 44 16.428 -1.396 5.944 1.00 52.33 N ATOM 602 CA ARG A 44 16.461 -0.025 5.448 1.00 1.15 C ATOM 603 C ARG A 44 15.098 0.643 5.605 1.00 2.11 C ATOM 604 O ARG A 44 15.009 1.830 5.920 1.00 62.10 O ATOM 605 CB ARG A 44 16.887 -0.001 3.979 1.00 31.03 C ATOM 606 CG ARG A 44 18.383 0.181 3.782 1.00 71.04 C ATOM 607 CD ARG A 44 18.815 1.607 4.084 1.00 43.23 C ATOM 608 NE ARG A 44 20.089 1.938 3.451 1.00 4.43 N ATOM 609 CZ ARG A 44 20.209 2.275 2.172 1.00 63.31 C ATOM 610 NH1 ARG A 44 19.138 2.324 1.393 1.00 54.42 N ATOM 611 NH2 ARG A 44 21.403 2.563 1.669 1.00 22.44 N ATOM 0 H ARG A 44 16.276 -2.102 5.223 1.00 52.33 H new ATOM 0 HA ARG A 44 17.189 0.531 6.039 1.00 1.15 H new ATOM 0 HB2 ARG A 44 16.577 -0.932 3.504 1.00 31.03 H new ATOM 0 HB3 ARG A 44 16.361 0.807 3.470 1.00 31.03 H new ATOM 0 HG2 ARG A 44 18.923 -0.509 4.430 1.00 71.04 H new ATOM 0 HG3 ARG A 44 18.649 -0.071 2.756 1.00 71.04 H new ATOM 0 HD2 ARG A 44 18.048 2.299 3.738 1.00 43.23 H new ATOM 0 HD3 ARG A 44 18.901 1.739 5.163 1.00 43.23 H new ATOM 0 HE ARG A 44 20.933 1.909 4.023 1.00 4.43 H new ATOM 0 HH11 ARG A 44 18.219 2.103 1.775 1.00 54.42 H new ATOM 0 HH12 ARG A 44 19.233 2.583 0.411 1.00 54.42 H new ATOM 0 HH21 ARG A 44 22.230 2.526 2.265 1.00 22.44 H new ATOM 0 HH22 ARG A 44 21.494 2.822 0.687 1.00 22.44 H new ATOM 625 N VAL A 45 14.038 -0.127 5.382 1.00 21.45 N ATOM 626 CA VAL A 45 12.680 0.389 5.499 1.00 34.13 C ATOM 627 C VAL A 45 12.289 0.583 6.960 1.00 3.31 C ATOM 628 O VAL A 45 11.580 1.530 7.304 1.00 33.30 O ATOM 629 CB VAL A 45 11.662 -0.552 4.828 1.00 32.42 C ATOM 630 CG1 VAL A 45 11.915 -0.632 3.331 1.00 71.45 C ATOM 631 CG2 VAL A 45 11.717 -1.935 5.461 1.00 2.42 C ATOM 0 H VAL A 45 14.094 -1.111 5.119 1.00 21.45 H new ATOM 0 HA VAL A 45 12.663 1.353 4.990 1.00 34.13 H new ATOM 0 HB VAL A 45 10.662 -0.146 4.982 1.00 32.42 H new ATOM 0 HG11 VAL A 45 11.186 -1.301 2.874 1.00 71.45 H new ATOM 0 HG12 VAL A 45 11.820 0.361 2.892 1.00 71.45 H new ATOM 0 HG13 VAL A 45 12.920 -1.013 3.152 1.00 71.45 H new ATOM 0 HG21 VAL A 45 10.991 -2.587 4.975 1.00 2.42 H new ATOM 0 HG22 VAL A 45 12.717 -2.351 5.340 1.00 2.42 H new ATOM 0 HG23 VAL A 45 11.482 -1.859 6.523 1.00 2.42 H new ATOM 641 N LEU A 46 12.757 -0.318 7.817 1.00 43.24 N ATOM 642 CA LEU A 46 12.458 -0.246 9.243 1.00 50.24 C ATOM 643 C LEU A 46 13.090 0.993 9.870 1.00 73.23 C ATOM 644 O LEU A 46 12.519 1.602 10.774 1.00 42.53 O ATOM 645 CB LEU A 46 12.960 -1.504 9.953 1.00 2.23 C ATOM 646 CG LEU A 46 11.909 -2.575 10.246 1.00 55.43 C ATOM 647 CD1 LEU A 46 10.919 -2.080 11.289 1.00 53.11 C ATOM 648 CD2 LEU A 46 11.185 -2.974 8.968 1.00 34.11 C ATOM 0 H LEU A 46 13.345 -1.107 7.549 1.00 43.24 H new ATOM 0 HA LEU A 46 11.376 -0.178 9.360 1.00 50.24 H new ATOM 0 HB2 LEU A 46 13.745 -1.951 9.344 1.00 2.23 H new ATOM 0 HB3 LEU A 46 13.419 -1.206 10.896 1.00 2.23 H new ATOM 0 HG LEU A 46 12.415 -3.455 10.644 1.00 55.43 H new ATOM 0 HD11 LEU A 46 10.178 -2.856 11.485 1.00 53.11 H new ATOM 0 HD12 LEU A 46 11.450 -1.844 12.211 1.00 53.11 H new ATOM 0 HD13 LEU A 46 10.418 -1.185 10.919 1.00 53.11 H new ATOM 0 HD21 LEU A 46 10.440 -3.737 9.195 1.00 34.11 H new ATOM 0 HD22 LEU A 46 10.691 -2.101 8.542 1.00 34.11 H new ATOM 0 HD23 LEU A 46 11.904 -3.370 8.251 1.00 34.11 H new ATOM 660 N ALA A 47 14.270 1.360 9.382 1.00 40.22 N ATOM 661 CA ALA A 47 14.977 2.529 9.891 1.00 21.54 C ATOM 662 C ALA A 47 14.477 3.806 9.226 1.00 1.31 C ATOM 663 O ALA A 47 14.612 4.898 9.778 1.00 51.43 O ATOM 664 CB ALA A 47 16.476 2.372 9.680 1.00 53.55 C ATOM 0 H ALA A 47 14.757 0.865 8.635 1.00 40.22 H new ATOM 0 HA ALA A 47 14.778 2.607 10.960 1.00 21.54 H new ATOM 0 HB1 ALA A 47 16.992 3.252 10.065 1.00 53.55 H new ATOM 0 HB2 ALA A 47 16.827 1.486 10.209 1.00 53.55 H new ATOM 0 HB3 ALA A 47 16.684 2.266 8.615 1.00 53.55 H new ATOM 670 N SER A 48 13.900 3.662 8.037 1.00 1.33 N ATOM 671 CA SER A 48 13.384 4.806 7.295 1.00 51.04 C ATOM 672 C SER A 48 11.997 5.198 7.796 1.00 42.24 C ATOM 673 O SER A 48 11.644 6.378 7.822 1.00 44.12 O ATOM 674 CB SER A 48 13.327 4.487 5.799 1.00 30.55 C ATOM 675 OG SER A 48 13.245 5.672 5.027 1.00 23.04 O ATOM 0 H SER A 48 13.778 2.765 7.567 1.00 1.33 H new ATOM 0 HA SER A 48 14.060 5.646 7.455 1.00 51.04 H new ATOM 0 HB2 SER A 48 14.213 3.922 5.511 1.00 30.55 H new ATOM 0 HB3 SER A 48 12.464 3.854 5.592 1.00 30.55 H new ATOM 0 HG SER A 48 13.211 5.441 4.075 1.00 23.04 H new ATOM 681 N LEU A 49 11.215 4.201 8.192 1.00 32.34 N ATOM 682 CA LEU A 49 9.866 4.439 8.693 1.00 14.52 C ATOM 683 C LEU A 49 9.890 4.797 10.176 1.00 65.11 C ATOM 684 O LEU A 49 9.170 5.689 10.622 1.00 55.15 O ATOM 685 CB LEU A 49 8.991 3.204 8.469 1.00 3.43 C ATOM 686 CG LEU A 49 8.199 3.171 7.162 1.00 12.10 C ATOM 687 CD1 LEU A 49 7.235 4.346 7.092 1.00 63.32 C ATOM 688 CD2 LEU A 49 9.141 3.179 5.967 1.00 52.51 C ATOM 0 H LEU A 49 11.492 3.219 8.176 1.00 32.34 H new ATOM 0 HA LEU A 49 9.445 5.280 8.142 1.00 14.52 H new ATOM 0 HB2 LEU A 49 9.628 2.320 8.507 1.00 3.43 H new ATOM 0 HB3 LEU A 49 8.288 3.126 9.298 1.00 3.43 H new ATOM 0 HG LEU A 49 7.618 2.249 7.135 1.00 12.10 H new ATOM 0 HD11 LEU A 49 6.680 4.306 6.155 1.00 63.32 H new ATOM 0 HD12 LEU A 49 6.538 4.295 7.929 1.00 63.32 H new ATOM 0 HD13 LEU A 49 7.795 5.280 7.142 1.00 63.32 H new ATOM 0 HD21 LEU A 49 8.560 3.155 5.045 1.00 52.51 H new ATOM 0 HD22 LEU A 49 9.749 4.083 5.989 1.00 52.51 H new ATOM 0 HD23 LEU A 49 9.790 2.304 6.009 1.00 52.51 H new ATOM 700 N ALA A 50 10.727 4.096 10.934 1.00 33.34 N ATOM 701 CA ALA A 50 10.849 4.342 12.366 1.00 71.02 C ATOM 702 C ALA A 50 11.338 5.760 12.639 1.00 12.31 C ATOM 703 O ALA A 50 11.040 6.341 13.683 1.00 21.44 O ATOM 704 CB ALA A 50 11.789 3.326 12.998 1.00 43.44 C ATOM 0 H ALA A 50 11.330 3.353 10.581 1.00 33.34 H new ATOM 0 HA ALA A 50 9.861 4.234 12.814 1.00 71.02 H new ATOM 0 HB1 ALA A 50 11.871 3.522 14.067 1.00 43.44 H new ATOM 0 HB2 ALA A 50 11.397 2.321 12.842 1.00 43.44 H new ATOM 0 HB3 ALA A 50 12.774 3.406 12.538 1.00 43.44 H new ATOM 710 N LYS A 51 12.091 6.314 11.695 1.00 73.24 N ATOM 711 CA LYS A 51 12.621 7.665 11.832 1.00 24.14 C ATOM 712 C LYS A 51 11.585 8.702 11.413 1.00 54.04 C ATOM 713 O LYS A 51 11.786 9.904 11.591 1.00 73.44 O ATOM 714 CB LYS A 51 13.889 7.825 10.990 1.00 11.51 C ATOM 715 CG LYS A 51 13.635 7.775 9.493 1.00 21.34 C ATOM 716 CD LYS A 51 14.845 8.250 8.706 1.00 13.32 C ATOM 717 CE LYS A 51 14.900 9.769 8.632 1.00 31.45 C ATOM 718 NZ LYS A 51 16.068 10.243 7.840 1.00 54.33 N ATOM 0 H LYS A 51 12.348 5.847 10.825 1.00 73.24 H new ATOM 0 HA LYS A 51 12.866 7.827 12.882 1.00 24.14 H new ATOM 0 HB2 LYS A 51 14.363 8.775 11.238 1.00 11.51 H new ATOM 0 HB3 LYS A 51 14.594 7.038 11.257 1.00 11.51 H new ATOM 0 HG2 LYS A 51 13.386 6.755 9.199 1.00 21.34 H new ATOM 0 HG3 LYS A 51 12.774 8.397 9.248 1.00 21.34 H new ATOM 0 HD2 LYS A 51 15.755 7.874 9.174 1.00 13.32 H new ATOM 0 HD3 LYS A 51 14.810 7.836 7.698 1.00 13.32 H new ATOM 0 HE2 LYS A 51 13.980 10.144 8.183 1.00 31.45 H new ATOM 0 HE3 LYS A 51 14.954 10.180 9.640 1.00 31.45 H new ATOM 0 HZ1 LYS A 51 16.070 11.283 7.813 1.00 54.33 H new ATOM 0 HZ2 LYS A 51 16.947 9.906 8.282 1.00 54.33 H new ATOM 0 HZ3 LYS A 51 16.004 9.872 6.871 1.00 54.33 H new ATOM 732 N LYS A 52 10.474 8.230 10.856 1.00 43.22 N ATOM 733 CA LYS A 52 9.404 9.116 10.413 1.00 71.30 C ATOM 734 C LYS A 52 8.257 9.128 11.418 1.00 32.33 C ATOM 735 O LYS A 52 7.386 9.995 11.371 1.00 52.24 O ATOM 736 CB LYS A 52 8.888 8.679 9.040 1.00 41.21 C ATOM 737 CG LYS A 52 7.606 7.867 9.102 1.00 63.13 C ATOM 738 CD LYS A 52 6.378 8.753 8.977 1.00 21.22 C ATOM 739 CE LYS A 52 5.274 8.312 9.926 1.00 60.42 C ATOM 740 NZ LYS A 52 4.728 9.454 10.710 1.00 35.51 N ATOM 0 H LYS A 52 10.292 7.239 10.701 1.00 43.22 H new ATOM 0 HA LYS A 52 9.809 10.125 10.338 1.00 71.30 H new ATOM 0 HB2 LYS A 52 8.718 9.564 8.427 1.00 41.21 H new ATOM 0 HB3 LYS A 52 9.658 8.089 8.543 1.00 41.21 H new ATOM 0 HG2 LYS A 52 7.604 7.126 8.302 1.00 63.13 H new ATOM 0 HG3 LYS A 52 7.566 7.319 10.044 1.00 63.13 H new ATOM 0 HD2 LYS A 52 6.651 9.787 9.190 1.00 21.22 H new ATOM 0 HD3 LYS A 52 6.010 8.725 7.951 1.00 21.22 H new ATOM 0 HE2 LYS A 52 4.470 7.845 9.356 1.00 60.42 H new ATOM 0 HE3 LYS A 52 5.662 7.556 10.608 1.00 60.42 H new ATOM 0 HZ1 LYS A 52 4.090 9.095 11.449 1.00 35.51 H new ATOM 0 HZ2 LYS A 52 5.511 9.977 11.152 1.00 35.51 H new ATOM 0 HZ3 LYS A 52 4.201 10.089 10.077 1.00 35.51 H new ATOM 754 N GLY A 53 8.264 8.159 12.329 1.00 10.24 N ATOM 755 CA GLY A 53 7.220 8.078 13.334 1.00 52.10 C ATOM 756 C GLY A 53 6.163 7.047 12.990 1.00 23.11 C ATOM 757 O GLY A 53 5.005 7.177 13.388 1.00 63.33 O ATOM 0 H GLY A 53 8.974 7.429 12.389 1.00 10.24 H new ATOM 0 HA2 GLY A 53 7.666 7.830 14.297 1.00 52.10 H new ATOM 0 HA3 GLY A 53 6.749 9.055 13.443 1.00 52.10 H new ATOM 761 N LYS A 54 6.561 6.020 12.247 1.00 22.55 N ATOM 762 CA LYS A 54 5.641 4.961 11.849 1.00 51.22 C ATOM 763 C LYS A 54 6.054 3.624 12.456 1.00 53.02 C ATOM 764 O LYS A 54 5.229 2.723 12.618 1.00 43.23 O ATOM 765 CB LYS A 54 5.592 4.848 10.323 1.00 30.54 C ATOM 766 CG LYS A 54 4.817 3.639 9.828 1.00 20.32 C ATOM 767 CD LYS A 54 3.354 3.710 10.232 1.00 10.51 C ATOM 768 CE LYS A 54 2.608 4.771 9.437 1.00 34.12 C ATOM 769 NZ LYS A 54 1.135 4.550 9.463 1.00 23.40 N ATOM 0 H LYS A 54 7.515 5.898 11.908 1.00 22.55 H new ATOM 0 HA LYS A 54 4.649 5.217 12.221 1.00 51.22 H new ATOM 0 HB2 LYS A 54 5.140 5.752 9.914 1.00 30.54 H new ATOM 0 HB3 LYS A 54 6.610 4.799 9.938 1.00 30.54 H new ATOM 0 HG2 LYS A 54 4.893 3.577 8.742 1.00 20.32 H new ATOM 0 HG3 LYS A 54 5.263 2.730 10.231 1.00 20.32 H new ATOM 0 HD2 LYS A 54 2.884 2.739 10.075 1.00 10.51 H new ATOM 0 HD3 LYS A 54 3.280 3.932 11.297 1.00 10.51 H new ATOM 0 HE2 LYS A 54 2.835 5.756 9.844 1.00 34.12 H new ATOM 0 HE3 LYS A 54 2.958 4.765 8.405 1.00 34.12 H new ATOM 0 HZ1 LYS A 54 0.663 5.294 8.910 1.00 23.40 H new ATOM 0 HZ2 LYS A 54 0.916 3.620 9.051 1.00 23.40 H new ATOM 0 HZ3 LYS A 54 0.797 4.582 10.446 1.00 23.40 H new ATOM 783 N LEU A 55 7.333 3.502 12.791 1.00 22.31 N ATOM 784 CA LEU A 55 7.855 2.274 13.382 1.00 2.43 C ATOM 785 C LEU A 55 8.539 2.560 14.715 1.00 3.23 C ATOM 786 O LEU A 55 8.916 3.697 14.999 1.00 53.03 O ATOM 787 CB LEU A 55 8.840 1.602 12.424 1.00 3.32 C ATOM 788 CG LEU A 55 8.273 0.475 11.560 1.00 4.41 C ATOM 789 CD1 LEU A 55 7.887 -0.716 12.423 1.00 52.12 C ATOM 790 CD2 LEU A 55 7.076 0.968 10.760 1.00 63.41 C ATOM 0 H LEU A 55 8.028 4.238 12.664 1.00 22.31 H new ATOM 0 HA LEU A 55 7.017 1.601 13.562 1.00 2.43 H new ATOM 0 HB2 LEU A 55 9.253 2.366 11.765 1.00 3.32 H new ATOM 0 HB3 LEU A 55 9.669 1.203 13.008 1.00 3.32 H new ATOM 0 HG LEU A 55 9.045 0.155 10.860 1.00 4.41 H new ATOM 0 HD11 LEU A 55 7.485 -1.508 11.791 1.00 52.12 H new ATOM 0 HD12 LEU A 55 8.767 -1.084 12.951 1.00 52.12 H new ATOM 0 HD13 LEU A 55 7.131 -0.411 13.147 1.00 52.12 H new ATOM 0 HD21 LEU A 55 6.685 0.153 10.151 1.00 63.41 H new ATOM 0 HD22 LEU A 55 6.300 1.315 11.443 1.00 63.41 H new ATOM 0 HD23 LEU A 55 7.384 1.789 10.113 1.00 63.41 H new ATOM 802 N GLN A 56 8.698 1.520 15.528 1.00 41.51 N ATOM 803 CA GLN A 56 9.339 1.660 16.830 1.00 14.43 C ATOM 804 C GLN A 56 10.420 0.602 17.022 1.00 74.21 C ATOM 805 O GLN A 56 10.122 -0.569 17.258 1.00 21.34 O ATOM 806 CB GLN A 56 8.299 1.553 17.947 1.00 22.05 C ATOM 807 CG GLN A 56 7.236 2.638 17.895 1.00 35.32 C ATOM 808 CD GLN A 56 6.497 2.795 19.210 1.00 71.33 C ATOM 809 OE1 GLN A 56 6.680 2.004 20.136 1.00 11.31 O ATOM 810 NE2 GLN A 56 5.656 3.819 19.298 1.00 22.31 N ATOM 0 H GLN A 56 8.392 0.572 15.308 1.00 41.51 H new ATOM 0 HA GLN A 56 9.808 2.643 16.872 1.00 14.43 H new ATOM 0 HB2 GLN A 56 7.814 0.578 17.889 1.00 22.05 H new ATOM 0 HB3 GLN A 56 8.807 1.599 18.910 1.00 22.05 H new ATOM 0 HG2 GLN A 56 7.703 3.586 17.630 1.00 35.32 H new ATOM 0 HG3 GLN A 56 6.521 2.403 17.107 1.00 35.32 H new ATOM 0 HE21 GLN A 56 5.536 4.450 18.505 1.00 22.31 H new ATOM 0 HE22 GLN A 56 5.130 3.975 20.158 1.00 22.31 H new ATOM 819 N LYS A 57 11.676 1.021 16.918 1.00 62.01 N ATOM 820 CA LYS A 57 12.803 0.110 17.080 1.00 0.14 C ATOM 821 C LYS A 57 13.083 -0.151 18.557 1.00 72.41 C ATOM 822 O LYS A 57 13.621 0.706 19.257 1.00 64.45 O ATOM 823 CB LYS A 57 14.052 0.685 16.408 1.00 55.40 C ATOM 824 CG LYS A 57 15.352 0.125 16.958 1.00 74.43 C ATOM 825 CD LYS A 57 16.422 0.041 15.882 1.00 11.13 C ATOM 826 CE LYS A 57 17.108 1.382 15.674 1.00 44.31 C ATOM 827 NZ LYS A 57 18.510 1.220 15.196 1.00 34.15 N ATOM 0 H LYS A 57 11.940 1.987 16.722 1.00 62.01 H new ATOM 0 HA LYS A 57 12.544 -0.836 16.604 1.00 0.14 H new ATOM 0 HB2 LYS A 57 14.004 0.484 15.338 1.00 55.40 H new ATOM 0 HB3 LYS A 57 14.053 1.768 16.529 1.00 55.40 H new ATOM 0 HG2 LYS A 57 15.704 0.755 17.774 1.00 74.43 H new ATOM 0 HG3 LYS A 57 15.175 -0.867 17.375 1.00 74.43 H new ATOM 0 HD2 LYS A 57 17.163 -0.708 16.161 1.00 11.13 H new ATOM 0 HD3 LYS A 57 15.973 -0.288 14.945 1.00 11.13 H new ATOM 0 HE2 LYS A 57 16.543 1.970 14.951 1.00 44.31 H new ATOM 0 HE3 LYS A 57 17.106 1.940 16.610 1.00 44.31 H new ATOM 0 HZ1 LYS A 57 18.943 2.157 15.066 1.00 34.15 H new ATOM 0 HZ2 LYS A 57 19.056 0.680 15.898 1.00 34.15 H new ATOM 0 HZ3 LYS A 57 18.511 0.710 14.290 1.00 34.15 H new ATOM 841 N GLU A 58 12.715 -1.341 19.023 1.00 55.31 N ATOM 842 CA GLU A 58 12.927 -1.714 20.416 1.00 2.35 C ATOM 843 C GLU A 58 14.330 -2.279 20.620 1.00 31.13 C ATOM 844 O GLU A 58 14.544 -3.487 20.523 1.00 51.04 O ATOM 845 CB GLU A 58 11.882 -2.741 20.858 1.00 44.40 C ATOM 846 CG GLU A 58 11.146 -2.352 22.129 1.00 53.33 C ATOM 847 CD GLU A 58 10.089 -1.291 21.889 1.00 73.20 C ATOM 848 OE1 GLU A 58 9.744 -1.052 20.713 1.00 12.31 O ATOM 849 OE2 GLU A 58 9.606 -0.701 22.878 1.00 23.04 O ATOM 0 H GLU A 58 12.269 -2.062 18.456 1.00 55.31 H new ATOM 0 HA GLU A 58 12.823 -0.816 21.025 1.00 2.35 H new ATOM 0 HB2 GLU A 58 11.157 -2.877 20.056 1.00 44.40 H new ATOM 0 HB3 GLU A 58 12.372 -3.702 21.012 1.00 44.40 H new ATOM 0 HG2 GLU A 58 10.676 -3.237 22.558 1.00 53.33 H new ATOM 0 HG3 GLU A 58 11.864 -1.985 22.862 1.00 53.33 H new ATOM 856 N ALA A 59 15.282 -1.396 20.904 1.00 71.14 N ATOM 857 CA ALA A 59 16.663 -1.806 21.123 1.00 64.23 C ATOM 858 C ALA A 59 16.962 -1.955 22.611 1.00 64.44 C ATOM 859 O ALA A 59 17.632 -1.113 23.207 1.00 55.42 O ATOM 860 CB ALA A 59 17.618 -0.805 20.488 1.00 31.53 C ATOM 0 H ALA A 59 15.122 -0.392 20.988 1.00 71.14 H new ATOM 0 HA ALA A 59 16.807 -2.778 20.651 1.00 64.23 H new ATOM 0 HB1 ALA A 59 18.646 -1.124 20.659 1.00 31.53 H new ATOM 0 HB2 ALA A 59 17.429 -0.751 19.416 1.00 31.53 H new ATOM 0 HB3 ALA A 59 17.464 0.178 20.933 1.00 31.53 H new ATOM 866 N GLY A 60 16.461 -3.034 23.205 1.00 0.22 N ATOM 867 CA GLY A 60 16.685 -3.273 24.619 1.00 12.10 C ATOM 868 C GLY A 60 16.540 -4.735 24.990 1.00 72.52 C ATOM 869 O GLY A 60 17.058 -5.614 24.300 1.00 43.25 O ATOM 0 H GLY A 60 15.904 -3.746 22.733 1.00 0.22 H new ATOM 0 HA2 GLY A 60 17.684 -2.930 24.888 1.00 12.10 H new ATOM 0 HA3 GLY A 60 15.978 -2.682 25.201 1.00 12.10 H new ATOM 873 N THR A 61 15.834 -5.000 26.085 1.00 53.22 N ATOM 874 CA THR A 61 15.624 -6.366 26.548 1.00 4.42 C ATOM 875 C THR A 61 15.004 -7.228 25.455 1.00 13.01 C ATOM 876 O THR A 61 15.581 -8.220 25.011 1.00 64.23 O ATOM 877 CB THR A 61 14.718 -6.404 27.793 1.00 2.11 C ATOM 878 OG1 THR A 61 15.509 -6.266 28.979 1.00 12.10 O ATOM 879 CG2 THR A 61 13.932 -7.705 27.850 1.00 12.23 C ATOM 0 H THR A 61 15.398 -4.286 26.668 1.00 53.22 H new ATOM 0 HA THR A 61 16.604 -6.765 26.809 1.00 4.42 H new ATOM 0 HB THR A 61 14.014 -5.575 27.728 1.00 2.11 H new ATOM 0 HG1 THR A 61 14.925 -6.289 29.766 1.00 12.10 H new ATOM 0 HG21 THR A 61 13.299 -7.709 28.738 1.00 12.23 H new ATOM 0 HG22 THR A 61 13.309 -7.793 26.960 1.00 12.23 H new ATOM 0 HG23 THR A 61 14.624 -8.546 27.894 1.00 12.23 H new ATOM 887 N PRO A 62 13.799 -6.843 25.009 1.00 12.12 N ATOM 888 CA PRO A 62 13.074 -7.567 23.961 1.00 70.40 C ATOM 889 C PRO A 62 13.734 -7.423 22.594 1.00 25.42 C ATOM 890 O PRO A 62 13.717 -6.357 21.979 1.00 61.22 O ATOM 891 CB PRO A 62 11.694 -6.904 23.961 1.00 63.43 C ATOM 892 CG PRO A 62 11.932 -5.536 24.499 1.00 14.30 C ATOM 893 CD PRO A 62 13.051 -5.670 25.494 1.00 63.34 C ATOM 0 HA PRO A 62 13.047 -8.640 24.152 1.00 70.40 H new ATOM 0 HB2 PRO A 62 11.273 -6.867 22.956 1.00 63.43 H new ATOM 0 HB3 PRO A 62 10.989 -7.457 24.582 1.00 63.43 H new ATOM 0 HG2 PRO A 62 12.201 -4.844 23.701 1.00 14.30 H new ATOM 0 HG3 PRO A 62 11.033 -5.142 24.973 1.00 14.30 H new ATOM 0 HD2 PRO A 62 13.676 -4.777 25.519 1.00 63.34 H new ATOM 0 HD3 PRO A 62 12.674 -5.824 26.505 1.00 63.34 H new ATOM 901 N PRO A 63 14.331 -8.521 22.106 1.00 40.13 N ATOM 902 CA PRO A 63 15.008 -8.542 20.805 1.00 14.15 C ATOM 903 C PRO A 63 14.029 -8.436 19.641 1.00 71.41 C ATOM 904 O PRO A 63 13.682 -9.439 19.016 1.00 74.15 O ATOM 905 CB PRO A 63 15.709 -9.902 20.793 1.00 63.34 C ATOM 906 CG PRO A 63 14.907 -10.751 21.718 1.00 42.02 C ATOM 907 CD PRO A 63 14.390 -9.826 22.785 1.00 64.11 C ATOM 0 HA PRO A 63 15.686 -7.697 20.684 1.00 14.15 H new ATOM 0 HB2 PRO A 63 15.734 -10.325 19.789 1.00 63.34 H new ATOM 0 HB3 PRO A 63 16.742 -9.817 21.129 1.00 63.34 H new ATOM 0 HG2 PRO A 63 14.086 -11.235 21.190 1.00 42.02 H new ATOM 0 HG3 PRO A 63 15.519 -11.543 22.151 1.00 42.02 H new ATOM 0 HD2 PRO A 63 13.409 -10.136 23.145 1.00 64.11 H new ATOM 0 HD3 PRO A 63 15.053 -9.799 23.650 1.00 64.11 H new ATOM 915 N LEU A 64 13.588 -7.217 19.354 1.00 55.30 N ATOM 916 CA LEU A 64 12.648 -6.980 18.263 1.00 4.11 C ATOM 917 C LEU A 64 12.206 -5.520 18.233 1.00 70.55 C ATOM 918 O LEU A 64 12.706 -4.694 18.995 1.00 24.14 O ATOM 919 CB LEU A 64 11.429 -7.892 18.407 1.00 15.41 C ATOM 920 CG LEU A 64 10.883 -8.064 19.825 1.00 1.02 C ATOM 921 CD1 LEU A 64 10.321 -6.750 20.344 1.00 3.35 C ATOM 922 CD2 LEU A 64 9.819 -9.151 19.859 1.00 61.42 C ATOM 0 H LEU A 64 13.866 -6.377 19.861 1.00 55.30 H new ATOM 0 HA LEU A 64 13.154 -7.206 17.324 1.00 4.11 H new ATOM 0 HB2 LEU A 64 10.631 -7.500 17.777 1.00 15.41 H new ATOM 0 HB3 LEU A 64 11.689 -8.876 18.017 1.00 15.41 H new ATOM 0 HG LEU A 64 11.704 -8.366 20.475 1.00 1.02 H new ATOM 0 HD11 LEU A 64 9.937 -6.892 21.354 1.00 3.35 H new ATOM 0 HD12 LEU A 64 11.109 -5.997 20.358 1.00 3.35 H new ATOM 0 HD13 LEU A 64 9.513 -6.417 19.692 1.00 3.35 H new ATOM 0 HD21 LEU A 64 9.442 -9.259 20.876 1.00 61.42 H new ATOM 0 HD22 LEU A 64 8.999 -8.878 19.195 1.00 61.42 H new ATOM 0 HD23 LEU A 64 10.253 -10.095 19.530 1.00 61.42 H new ATOM 934 N TRP A 65 11.265 -5.212 17.348 1.00 15.22 N ATOM 935 CA TRP A 65 10.753 -3.852 17.220 1.00 11.11 C ATOM 936 C TRP A 65 9.242 -3.856 17.020 1.00 55.43 C ATOM 937 O TRP A 65 8.684 -4.789 16.443 1.00 73.41 O ATOM 938 CB TRP A 65 11.433 -3.137 16.051 1.00 22.14 C ATOM 939 CG TRP A 65 11.424 -3.934 14.782 1.00 44.42 C ATOM 940 CD1 TRP A 65 12.457 -4.663 14.265 1.00 52.24 C ATOM 941 CD2 TRP A 65 10.331 -4.079 13.869 1.00 60.10 C ATOM 942 NE1 TRP A 65 12.071 -5.253 13.085 1.00 1.12 N ATOM 943 CE2 TRP A 65 10.771 -4.911 12.821 1.00 62.10 C ATOM 944 CE3 TRP A 65 9.023 -3.590 13.836 1.00 54.51 C ATOM 945 CZ2 TRP A 65 9.949 -5.261 11.753 1.00 31.24 C ATOM 946 CZ3 TRP A 65 8.208 -3.938 12.775 1.00 12.45 C ATOM 947 CH2 TRP A 65 8.673 -4.767 11.746 1.00 33.45 C ATOM 0 H TRP A 65 10.841 -5.885 16.709 1.00 15.22 H new ATOM 0 HA TRP A 65 10.977 -3.318 18.143 1.00 11.11 H new ATOM 0 HB2 TRP A 65 10.933 -2.184 15.877 1.00 22.14 H new ATOM 0 HB3 TRP A 65 12.464 -2.911 16.323 1.00 22.14 H new ATOM 0 HD1 TRP A 65 13.433 -4.761 14.717 1.00 52.24 H new ATOM 0 HE1 TRP A 65 12.657 -5.849 12.501 1.00 1.12 H new ATOM 0 HE3 TRP A 65 8.655 -2.951 14.625 1.00 54.51 H new ATOM 0 HZ2 TRP A 65 10.306 -5.900 10.958 1.00 31.24 H new ATOM 0 HZ3 TRP A 65 7.195 -3.564 12.739 1.00 12.45 H new ATOM 0 HH2 TRP A 65 8.011 -5.021 10.931 1.00 33.45 H new ATOM 958 N LYS A 66 8.583 -2.806 17.499 1.00 51.21 N ATOM 959 CA LYS A 66 7.135 -2.687 17.371 1.00 3.32 C ATOM 960 C LYS A 66 6.766 -1.731 16.242 1.00 54.44 C ATOM 961 O LYS A 66 7.625 -1.035 15.699 1.00 74.23 O ATOM 962 CB LYS A 66 6.525 -2.199 18.687 1.00 40.40 C ATOM 963 CG LYS A 66 6.924 -3.036 19.890 1.00 74.01 C ATOM 964 CD LYS A 66 6.455 -2.403 21.190 1.00 64.34 C ATOM 965 CE LYS A 66 6.911 -3.208 22.397 1.00 31.11 C ATOM 966 NZ LYS A 66 6.050 -4.402 22.625 1.00 43.13 N ATOM 0 H LYS A 66 9.029 -2.025 17.980 1.00 51.21 H new ATOM 0 HA LYS A 66 6.733 -3.672 17.135 1.00 3.32 H new ATOM 0 HB2 LYS A 66 6.828 -1.166 18.857 1.00 40.40 H new ATOM 0 HB3 LYS A 66 5.439 -2.202 18.597 1.00 40.40 H new ATOM 0 HG2 LYS A 66 6.499 -4.035 19.796 1.00 74.01 H new ATOM 0 HG3 LYS A 66 8.008 -3.152 19.911 1.00 74.01 H new ATOM 0 HD2 LYS A 66 6.842 -1.387 21.262 1.00 64.34 H new ATOM 0 HD3 LYS A 66 5.367 -2.331 21.189 1.00 64.34 H new ATOM 0 HE2 LYS A 66 7.943 -3.527 22.252 1.00 31.11 H new ATOM 0 HE3 LYS A 66 6.895 -2.574 23.284 1.00 31.11 H new ATOM 0 HZ1 LYS A 66 6.393 -4.924 23.456 1.00 43.13 H new ATOM 0 HZ2 LYS A 66 5.069 -4.097 22.789 1.00 43.13 H new ATOM 0 HZ3 LYS A 66 6.085 -5.020 21.789 1.00 43.13 H new ATOM 980 N ILE A 67 5.484 -1.700 15.894 1.00 34.30 N ATOM 981 CA ILE A 67 5.001 -0.827 14.831 1.00 22.41 C ATOM 982 C ILE A 67 4.216 0.349 15.400 1.00 14.31 C ATOM 983 O ILE A 67 3.912 0.388 16.592 1.00 22.21 O ATOM 984 CB ILE A 67 4.109 -1.592 13.836 1.00 60.43 C ATOM 985 CG1 ILE A 67 2.669 -1.653 14.350 1.00 42.53 C ATOM 986 CG2 ILE A 67 4.654 -2.994 13.605 1.00 11.01 C ATOM 987 CD1 ILE A 67 2.542 -2.285 15.718 1.00 71.43 C ATOM 0 H ILE A 67 4.761 -2.270 16.333 1.00 34.30 H new ATOM 0 HA ILE A 67 5.880 -0.454 14.305 1.00 22.41 H new ATOM 0 HB ILE A 67 4.113 -1.060 12.885 1.00 60.43 H new ATOM 0 HG12 ILE A 67 2.262 -0.643 14.386 1.00 42.53 H new ATOM 0 HG13 ILE A 67 2.062 -2.216 13.641 1.00 42.53 H new ATOM 0 HG21 ILE A 67 4.013 -3.522 12.899 1.00 11.01 H new ATOM 0 HG22 ILE A 67 5.664 -2.930 13.199 1.00 11.01 H new ATOM 0 HG23 ILE A 67 4.677 -3.536 14.550 1.00 11.01 H new ATOM 0 HD11 ILE A 67 1.494 -2.295 16.019 1.00 71.43 H new ATOM 0 HD12 ILE A 67 2.919 -3.307 15.683 1.00 71.43 H new ATOM 0 HD13 ILE A 67 3.121 -1.709 16.440 1.00 71.43 H new ATOM 999 N ALA A 68 3.888 1.307 14.539 1.00 72.33 N ATOM 1000 CA ALA A 68 3.134 2.483 14.954 1.00 31.14 C ATOM 1001 C ALA A 68 2.180 2.940 13.856 1.00 10.00 C ATOM 1002 O ALA A 68 1.148 3.554 14.132 1.00 25.23 O ATOM 1003 CB ALA A 68 4.082 3.610 15.335 1.00 2.24 C ATOM 0 H ALA A 68 4.133 1.291 13.549 1.00 72.33 H new ATOM 0 HA ALA A 68 2.539 2.213 15.826 1.00 31.14 H new ATOM 0 HB1 ALA A 68 3.505 4.482 15.643 1.00 2.24 H new ATOM 0 HB2 ALA A 68 4.719 3.287 16.158 1.00 2.24 H new ATOM 0 HB3 ALA A 68 4.702 3.870 14.477 1.00 2.24 H new TER 1009 ALA A 68