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*** ***elNémo ID: 2405221019142672618Job options:ID = 2405221019142672618 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ATOM 1 N TRP A 1 -9.236 12.232 -2.568 1.00 3.38 N ATOM 2 CA TRP A 1 -9.676 10.807 -2.556 1.00 2.89 C ATOM 3 C TRP A 1 -8.815 9.996 -1.584 1.00 2.26 C ATOM 4 O TRP A 1 -9.188 9.770 -0.450 1.00 2.57 O ATOM 5 CB TRP A 1 -9.472 10.318 -3.990 1.00 3.01 C ATOM 6 CG TRP A 1 -9.766 8.854 -4.063 1.00 2.85 C ATOM 7 CD1 TRP A 1 -10.566 8.178 -3.206 1.00 3.00 C ATOM 8 CD2 TRP A 1 -9.280 7.876 -5.028 1.00 3.22 C ATOM 9 NE1 TRP A 1 -10.602 6.848 -3.584 1.00 3.33 N ATOM 10 CE2 TRP A 1 -9.825 6.612 -4.701 1.00 3.46 C ATOM 11 CE3 TRP A 1 -8.428 7.962 -6.144 1.00 3.83 C ATOM 12 CZ2 TRP A 1 -9.535 5.473 -5.454 1.00 4.16 C ATOM 13 CZ3 TRP A 1 -8.134 6.818 -6.904 1.00 4.54 C ATOM 14 CH2 TRP A 1 -8.687 5.576 -6.559 1.00 4.65 C ATOM 15 H1 TRP A 1 -9.107 12.563 -1.590 1.00 3.70 H ATOM 16 H2 TRP A 1 -8.338 12.314 -3.084 1.00 3.66 H ATOM 17 H3 TRP A 1 -9.958 12.814 -3.038 1.00 3.64 H ATOM 18 HA TRP A 1 -10.718 10.737 -2.287 1.00 3.33 H ATOM 19 HB2 TRP A 1 -10.138 10.853 -4.651 1.00 3.47 H ATOM 20 HB3 TRP A 1 -8.449 10.495 -4.288 1.00 3.18 H ATOM 21 HD1 TRP A 1 -11.090 8.608 -2.366 1.00 3.25 H ATOM 22 HE1 TRP A 1 -11.109 6.145 -3.127 1.00 3.75 H ATOM 23 HE3 TRP A 1 -7.997 8.913 -6.418 1.00 4.03 H ATOM 24 HZ2 TRP A 1 -9.964 4.519 -5.184 1.00 4.56 H ATOM 25 HZ3 TRP A 1 -7.479 6.895 -7.758 1.00 5.21 H ATOM 26 HH2 TRP A 1 -8.457 4.700 -7.148 1.00 5.34 H ATOM 27 N CYS A 2 -7.666 9.557 -2.019 1.00 1.77 N ATOM 28 CA CYS A 2 -6.783 8.761 -1.119 1.00 1.39 C ATOM 29 C CYS A 2 -5.436 9.467 -0.940 1.00 1.09 C ATOM 30 O CYS A 2 -4.771 9.809 -1.898 1.00 1.34 O ATOM 31 CB CYS A 2 -6.595 7.422 -1.831 1.00 1.54 C ATOM 32 SG CYS A 2 -5.682 7.680 -3.372 1.00 1.47 S ATOM 33 H CYS A 2 -7.383 9.751 -2.937 1.00 2.03 H ATOM 34 HA CYS A 2 -7.258 8.607 -0.163 1.00 1.75 H ATOM 35 HB2 CYS A 2 -6.042 6.749 -1.193 1.00 2.11 H ATOM 36 HB3 CYS A 2 -7.562 6.994 -2.053 1.00 1.96 H ATOM 37 N SER A 3 -5.029 9.689 0.280 1.00 1.00 N ATOM 38 CA SER A 3 -3.725 10.372 0.519 1.00 1.14 C ATOM 39 C SER A 3 -2.575 9.366 0.427 1.00 0.88 C ATOM 40 O SER A 3 -1.759 9.422 -0.470 1.00 0.90 O ATOM 41 CB SER A 3 -3.830 10.940 1.934 1.00 1.65 C ATOM 42 OG SER A 3 -4.043 9.876 2.852 1.00 1.84 O ATOM 43 H SER A 3 -5.580 9.405 1.040 1.00 1.20 H ATOM 44 HA SER A 3 -3.584 11.173 -0.190 1.00 1.37 H ATOM 45 HB2 SER A 3 -2.915 11.449 2.188 1.00 1.96 H ATOM 46 HB3 SER A 3 -4.654 11.640 1.980 1.00 1.82 H ATOM 47 HG SER A 3 -4.990 9.759 2.956 1.00 2.25 H ATOM 48 N THR A 4 -2.505 8.445 1.349 1.00 0.79 N ATOM 49 CA THR A 4 -1.408 7.436 1.314 1.00 0.68 C ATOM 50 C THR A 4 -1.841 6.211 0.504 1.00 0.62 C ATOM 51 O THR A 4 -1.990 5.127 1.031 1.00 0.80 O ATOM 52 CB THR A 4 -1.172 7.056 2.777 1.00 0.82 C ATOM 53 OG1 THR A 4 -2.419 6.998 3.456 1.00 0.96 O ATOM 54 CG2 THR A 4 -0.275 8.103 3.440 1.00 1.08 C ATOM 55 H THR A 4 -3.174 8.417 2.065 1.00 0.93 H ATOM 56 HA THR A 4 -0.512 7.868 0.896 1.00 0.72 H ATOM 57 HB THR A 4 -0.689 6.092 2.825 1.00 0.86 H ATOM 58 HG1 THR A 4 -2.246 6.781 4.375 1.00 1.43 H ATOM 59 HG21 THR A 4 0.082 8.796 2.693 1.00 1.57 H ATOM 60 HG22 THR A 4 -0.841 8.639 4.187 1.00 1.55 H ATOM 61 HG23 THR A 4 0.565 7.612 3.908 1.00 1.51 H ATOM 62 N CYS A 5 -2.045 6.376 -0.775 1.00 0.63 N ATOM 63 CA CYS A 5 -2.468 5.221 -1.617 1.00 0.62 C ATOM 64 C CYS A 5 -1.480 5.015 -2.769 1.00 0.55 C ATOM 65 O CYS A 5 -1.207 5.919 -3.533 1.00 0.73 O ATOM 66 CB CYS A 5 -3.846 5.607 -2.155 1.00 0.79 C ATOM 67 SG CYS A 5 -3.766 7.259 -2.889 1.00 1.29 S ATOM 68 H CYS A 5 -1.919 7.259 -1.181 1.00 0.82 H ATOM 69 HA CYS A 5 -2.543 4.326 -1.020 1.00 0.66 H ATOM 70 HB2 CYS A 5 -4.153 4.893 -2.906 1.00 1.45 H ATOM 71 HB3 CYS A 5 -4.561 5.607 -1.345 1.00 1.27 H ATOM 72 N LEU A 6 -0.944 3.833 -2.899 1.00 0.44 N ATOM 73 CA LEU A 6 0.026 3.571 -4.001 1.00 0.50 C ATOM 74 C LEU A 6 -0.718 3.153 -5.272 1.00 0.56 C ATOM 75 O LEU A 6 -1.915 2.942 -5.261 1.00 0.63 O ATOM 76 CB LEU A 6 0.905 2.428 -3.493 1.00 0.53 C ATOM 77 CG LEU A 6 1.347 2.723 -2.059 1.00 0.56 C ATOM 78 CD1 LEU A 6 2.439 1.734 -1.648 1.00 0.70 C ATOM 79 CD2 LEU A 6 1.897 4.149 -1.979 1.00 0.76 C ATOM 80 H LEU A 6 -1.177 3.117 -2.272 1.00 0.46 H ATOM 81 HA LEU A 6 0.630 4.445 -4.188 1.00 0.60 H ATOM 82 HB2 LEU A 6 0.343 1.505 -3.515 1.00 0.56 H ATOM 83 HB3 LEU A 6 1.775 2.335 -4.124 1.00 0.67 H ATOM 84 HG LEU A 6 0.502 2.623 -1.394 1.00 0.57 H ATOM 85 HD11 LEU A 6 2.260 0.781 -2.124 1.00 1.25 H ATOM 86 HD12 LEU A 6 3.403 2.114 -1.953 1.00 1.24 H ATOM 87 HD13 LEU A 6 2.425 1.608 -0.575 1.00 1.19 H ATOM 88 HD21 LEU A 6 2.226 4.463 -2.959 1.00 1.21 H ATOM 89 HD22 LEU A 6 1.121 4.814 -1.629 1.00 1.40 H ATOM 90 HD23 LEU A 6 2.731 4.176 -1.293 1.00 1.29 H ATOM 91 N ASP A 7 -0.020 3.030 -6.367 1.00 0.67 N ATOM 92 CA ASP A 7 -0.688 2.625 -7.637 1.00 0.77 C ATOM 93 C ASP A 7 -0.503 1.125 -7.877 1.00 0.74 C ATOM 94 O ASP A 7 -0.833 0.608 -8.926 1.00 0.88 O ATOM 95 CB ASP A 7 0.013 3.434 -8.729 1.00 0.96 C ATOM 96 CG ASP A 7 -0.798 3.354 -10.024 1.00 1.16 C ATOM 97 OD1 ASP A 7 -2.014 3.327 -9.937 1.00 1.56 O ATOM 98 OD2 ASP A 7 -0.188 3.321 -11.080 1.00 1.72 O ATOM 99 H ASP A 7 0.945 3.205 -6.355 1.00 0.75 H ATOM 100 HA ASP A 7 -1.737 2.876 -7.608 1.00 0.80 H ATOM 101 HB2 ASP A 7 0.094 4.465 -8.417 1.00 0.99 H ATOM 102 HB3 ASP A 7 0.999 3.030 -8.899 1.00 1.03 H ATOM 103 N LEU A 8 0.024 0.421 -6.913 1.00 0.62 N ATOM 104 CA LEU A 8 0.230 -1.046 -7.087 1.00 0.63 C ATOM 105 C LEU A 8 -0.935 -1.821 -6.466 1.00 0.58 C ATOM 106 O LEU A 8 -1.450 -1.459 -5.427 1.00 0.59 O ATOM 107 CB LEU A 8 1.533 -1.353 -6.348 1.00 0.66 C ATOM 108 CG LEU A 8 2.678 -0.559 -6.980 1.00 0.79 C ATOM 109 CD1 LEU A 8 3.856 -0.499 -6.007 1.00 0.87 C ATOM 110 CD2 LEU A 8 3.121 -1.247 -8.273 1.00 1.02 C ATOM 111 H LEU A 8 0.284 0.856 -6.074 1.00 0.60 H ATOM 112 HA LEU A 8 0.332 -1.291 -8.132 1.00 0.69 H ATOM 113 HB2 LEU A 8 1.432 -1.075 -5.309 1.00 0.64 H ATOM 114 HB3 LEU A 8 1.748 -2.409 -6.420 1.00 0.76 H ATOM 115 HG LEU A 8 2.341 0.444 -7.200 1.00 0.85 H ATOM 116 HD11 LEU A 8 3.938 -1.440 -5.482 1.00 1.40 H ATOM 117 HD12 LEU A 8 4.768 -0.313 -6.556 1.00 1.40 H ATOM 118 HD13 LEU A 8 3.696 0.297 -5.295 1.00 1.22 H ATOM 119 HD21 LEU A 8 2.323 -1.878 -8.637 1.00 1.53 H ATOM 120 HD22 LEU A 8 3.355 -0.499 -9.017 1.00 1.35 H ATOM 121 HD23 LEU A 8 3.996 -1.849 -8.080 1.00 1.49 H ATOM 122 N ALA A 9 -1.354 -2.885 -7.094 1.00 0.62 N ATOM 123 CA ALA A 9 -2.485 -3.682 -6.539 1.00 0.63 C ATOM 124 C ALA A 9 -2.008 -4.522 -5.351 1.00 0.60 C ATOM 125 O ALA A 9 -0.865 -4.928 -5.285 1.00 0.75 O ATOM 126 CB ALA A 9 -2.935 -4.585 -7.688 1.00 0.74 C ATOM 127 H ALA A 9 -0.925 -3.161 -7.931 1.00 0.68 H ATOM 128 HA ALA A 9 -3.294 -3.033 -6.242 1.00 0.64 H ATOM 129 HB1 ALA A 9 -2.101 -5.185 -8.022 1.00 1.37 H ATOM 130 HB2 ALA A 9 -3.730 -5.232 -7.347 1.00 1.08 H ATOM 131 HB3 ALA A 9 -3.291 -3.977 -8.506 1.00 1.32 H ATOM 132 N CYS A 10 -2.875 -4.785 -4.412 1.00 0.57 N ATOM 133 CA CYS A 10 -2.470 -5.598 -3.229 1.00 0.55 C ATOM 134 C CYS A 10 -2.412 -7.082 -3.603 1.00 0.52 C ATOM 135 O CYS A 10 -2.389 -7.440 -4.764 1.00 0.71 O ATOM 136 CB CYS A 10 -3.559 -5.350 -2.186 1.00 0.69 C ATOM 137 SG CYS A 10 -5.100 -6.132 -2.724 1.00 0.84 S ATOM 138 H CYS A 10 -3.793 -4.449 -4.484 1.00 0.67 H ATOM 139 HA CYS A 10 -1.516 -5.266 -2.853 1.00 0.55 H ATOM 140 HB2 CYS A 10 -3.253 -5.770 -1.239 1.00 0.67 H ATOM 141 HB3 CYS A 10 -3.715 -4.287 -2.075 1.00 0.80 H ATOM 142 N GLY A 11 -2.389 -7.948 -2.627 1.00 0.54 N ATOM 143 CA GLY A 11 -2.333 -9.407 -2.927 1.00 0.63 C ATOM 144 C GLY A 11 -1.247 -10.064 -2.072 1.00 0.65 C ATOM 145 O GLY A 11 -1.257 -11.258 -1.848 1.00 0.88 O ATOM 146 H GLY A 11 -2.408 -7.640 -1.697 1.00 0.68 H ATOM 147 HA2 GLY A 11 -3.290 -9.857 -2.704 1.00 0.80 H ATOM 148 HA3 GLY A 11 -2.100 -9.552 -3.971 1.00 0.70 H ATOM 149 N ALA A 12 -0.310 -9.293 -1.592 1.00 0.67 N ATOM 150 CA ALA A 12 0.776 -9.875 -0.752 1.00 0.93 C ATOM 151 C ALA A 12 1.391 -8.793 0.141 1.00 0.86 C ATOM 152 O ALA A 12 2.044 -7.883 -0.330 1.00 0.79 O ATOM 153 CB ALA A 12 1.810 -10.399 -1.748 1.00 1.16 C ATOM 154 H ALA A 12 -0.319 -8.332 -1.784 1.00 0.66 H ATOM 155 HA ALA A 12 0.396 -10.687 -0.153 1.00 1.13 H ATOM 156 HB1 ALA A 12 1.503 -10.147 -2.752 1.00 1.45 H ATOM 157 HB2 ALA A 12 2.770 -9.950 -1.542 1.00 1.63 H ATOM 158 HB3 ALA A 12 1.888 -11.473 -1.655 1.00 1.65 H ATOM 159 N SER A 13 1.187 -8.886 1.426 1.00 0.96 N ATOM 160 CA SER A 13 1.761 -7.863 2.348 1.00 0.93 C ATOM 161 C SER A 13 3.210 -7.557 1.962 1.00 0.86 C ATOM 162 O SER A 13 3.672 -6.439 2.082 1.00 0.82 O ATOM 163 CB SER A 13 1.698 -8.500 3.735 1.00 1.10 C ATOM 164 OG SER A 13 2.162 -7.566 4.701 1.00 1.66 O ATOM 165 H SER A 13 0.658 -9.628 1.787 1.00 1.09 H ATOM 166 HA SER A 13 1.167 -6.963 2.328 1.00 0.89 H ATOM 167 HB2 SER A 13 0.681 -8.770 3.963 1.00 1.60 H ATOM 168 HB3 SER A 13 2.316 -9.388 3.750 1.00 1.55 H ATOM 169 HG SER A 13 2.454 -8.058 5.472 1.00 2.00 H ATOM 170 N ARG A 14 3.931 -8.541 1.499 1.00 0.91 N ATOM 171 CA ARG A 14 5.350 -8.305 1.106 1.00 0.90 C ATOM 172 C ARG A 14 5.413 -7.438 -0.154 1.00 0.80 C ATOM 173 O ARG A 14 6.178 -6.497 -0.234 1.00 0.80 O ATOM 174 CB ARG A 14 5.921 -9.697 0.829 1.00 1.05 C ATOM 175 CG ARG A 14 7.444 -9.661 0.966 1.00 1.76 C ATOM 176 CD ARG A 14 8.053 -10.851 0.220 1.00 2.23 C ATOM 177 NE ARG A 14 7.849 -12.016 1.125 1.00 2.83 N ATOM 178 CZ ARG A 14 8.610 -12.174 2.175 1.00 3.50 C ATOM 179 NH1 ARG A 14 9.555 -11.311 2.438 1.00 3.76 N ATOM 180 NH2 ARG A 14 8.426 -13.197 2.964 1.00 4.36 N ATOM 181 H ARG A 14 3.540 -9.435 1.409 1.00 1.00 H ATOM 182 HA ARG A 14 5.893 -7.839 1.913 1.00 0.89 H ATOM 183 HB2 ARG A 14 5.511 -10.401 1.539 1.00 1.41 H ATOM 184 HB3 ARG A 14 5.659 -10.000 -0.173 1.00 1.43 H ATOM 185 HG2 ARG A 14 7.822 -8.740 0.546 1.00 2.35 H ATOM 186 HG3 ARG A 14 7.713 -9.717 2.010 1.00 2.32 H ATOM 187 HD2 ARG A 14 7.540 -11.005 -0.719 1.00 2.64 H ATOM 188 HD3 ARG A 14 9.107 -10.692 0.054 1.00 2.61 H ATOM 189 HE ARG A 14 7.141 -12.666 0.932 1.00 3.17 H ATOM 190 HH11 ARG A 14 9.699 -10.526 1.836 1.00 3.51 H ATOM 191 HH12 ARG A 14 10.135 -11.436 3.242 1.00 4.52 H ATOM 192 HH21 ARG A 14 7.704 -13.859 2.764 1.00 4.60 H ATOM 193 HH22 ARG A 14 9.008 -13.320 3.768 1.00 4.98 H ATOM 194 N GLU A 15 4.615 -7.748 -1.139 1.00 0.79 N ATOM 195 CA GLU A 15 4.630 -6.941 -2.393 1.00 0.76 C ATOM 196 C GLU A 15 4.416 -5.459 -2.071 1.00 0.63 C ATOM 197 O GLU A 15 5.096 -4.597 -2.590 1.00 0.64 O ATOM 198 CB GLU A 15 3.468 -7.482 -3.226 1.00 0.83 C ATOM 199 CG GLU A 15 3.536 -6.897 -4.638 1.00 0.97 C ATOM 200 CD GLU A 15 2.608 -7.686 -5.563 1.00 1.42 C ATOM 201 OE1 GLU A 15 1.606 -8.186 -5.079 1.00 2.16 O ATOM 202 OE2 GLU A 15 2.914 -7.776 -6.741 1.00 1.98 O ATOM 203 H GLU A 15 4.006 -8.511 -1.055 1.00 0.84 H ATOM 204 HA GLU A 15 5.560 -7.082 -2.921 1.00 0.83 H ATOM 205 HB2 GLU A 15 3.535 -8.559 -3.278 1.00 0.96 H ATOM 206 HB3 GLU A 15 2.533 -7.200 -2.767 1.00 0.80 H ATOM 207 HG2 GLU A 15 3.228 -5.862 -4.614 1.00 1.38 H ATOM 208 HG3 GLU A 15 4.549 -6.963 -5.007 1.00 1.43 H ATOM 209 N CYS A 16 3.475 -5.158 -1.218 1.00 0.57 N ATOM 210 CA CYS A 16 3.218 -3.732 -0.864 1.00 0.48 C ATOM 211 C CYS A 16 4.211 -3.266 0.204 1.00 0.39 C ATOM 212 O CYS A 16 4.445 -2.085 0.374 1.00 0.36 O ATOM 213 CB CYS A 16 1.791 -3.712 -0.315 1.00 0.57 C ATOM 214 SG CYS A 16 0.635 -4.189 -1.623 1.00 0.70 S ATOM 215 H CYS A 16 2.937 -5.869 -0.811 1.00 0.62 H ATOM 216 HA CYS A 16 3.285 -3.108 -1.741 1.00 0.50 H ATOM 217 HB2 CYS A 16 1.712 -4.407 0.507 1.00 0.76 H ATOM 218 HB3 CYS A 16 1.553 -2.716 0.030 1.00 0.56 H ATOM 219 N TYR A 17 4.797 -4.183 0.924 1.00 0.43 N ATOM 220 CA TYR A 17 5.774 -3.790 1.980 1.00 0.39 C ATOM 221 C TYR A 17 7.022 -3.173 1.342 1.00 0.37 C ATOM 222 O TYR A 17 7.676 -2.330 1.924 1.00 0.39 O ATOM 223 CB TYR A 17 6.127 -5.094 2.697 1.00 0.49 C ATOM 224 CG TYR A 17 7.217 -4.833 3.709 1.00 0.62 C ATOM 225 CD1 TYR A 17 8.522 -4.564 3.279 1.00 1.44 C ATOM 226 CD2 TYR A 17 6.922 -4.860 5.077 1.00 1.37 C ATOM 227 CE1 TYR A 17 9.532 -4.323 4.217 1.00 1.57 C ATOM 228 CE2 TYR A 17 7.933 -4.618 6.016 1.00 1.54 C ATOM 229 CZ TYR A 17 9.238 -4.349 5.586 1.00 1.12 C ATOM 230 OH TYR A 17 10.234 -4.111 6.510 1.00 1.41 O ATOM 231 H TYR A 17 4.595 -5.129 0.771 1.00 0.53 H ATOM 232 HA TYR A 17 5.323 -3.098 2.673 1.00 0.39 H ATOM 233 HB2 TYR A 17 5.251 -5.475 3.201 1.00 0.55 H ATOM 234 HB3 TYR A 17 6.473 -5.819 1.976 1.00 0.57 H ATOM 235 HD1 TYR A 17 8.749 -4.544 2.223 1.00 2.27 H ATOM 236 HD2 TYR A 17 5.916 -5.067 5.409 1.00 2.17 H ATOM 237 HE1 TYR A 17 10.539 -4.115 3.885 1.00 2.40 H ATOM 238 HE2 TYR A 17 7.706 -4.639 7.071 1.00 2.38 H ATOM 239 HH TYR A 17 10.754 -4.913 6.599 1.00 1.75 H ATOM 240 N ASP A 18 7.358 -3.587 0.151 1.00 0.44 N ATOM 241 CA ASP A 18 8.563 -3.023 -0.522 1.00 0.51 C ATOM 242 C ASP A 18 8.348 -1.541 -0.839 1.00 0.47 C ATOM 243 O ASP A 18 9.109 -0.697 -0.410 1.00 0.49 O ATOM 244 CB ASP A 18 8.711 -3.832 -1.812 1.00 0.63 C ATOM 245 CG ASP A 18 10.032 -4.602 -1.784 1.00 1.08 C ATOM 246 OD1 ASP A 18 10.983 -4.087 -1.219 1.00 1.67 O ATOM 247 OD2 ASP A 18 10.070 -5.694 -2.327 1.00 1.77 O ATOM 248 H ASP A 18 6.817 -4.268 -0.302 1.00 0.49 H ATOM 249 HA ASP A 18 9.436 -3.154 0.097 1.00 0.54 H ATOM 250 HB2 ASP A 18 7.888 -4.528 -1.896 1.00 0.93 H ATOM 251 HB3 ASP A 18 8.705 -3.162 -2.659 1.00 0.85 H ATOM 252 N PRO A 19 7.309 -1.277 -1.584 1.00 0.44 N ATOM 253 CA PRO A 19 6.981 0.118 -1.968 1.00 0.45 C ATOM 254 C PRO A 19 6.420 0.885 -0.768 1.00 0.38 C ATOM 255 O PRO A 19 6.936 1.914 -0.380 1.00 0.42 O ATOM 256 CB PRO A 19 5.919 -0.051 -3.051 1.00 0.49 C ATOM 257 CG PRO A 19 5.297 -1.383 -2.781 1.00 0.45 C ATOM 258 CD PRO A 19 6.352 -2.243 -2.134 1.00 0.45 C ATOM 259 HA PRO A 19 7.847 0.617 -2.372 1.00 0.53 H ATOM 260 HB2 PRO A 19 5.180 0.736 -2.976 1.00 0.48 H ATOM 261 HB3 PRO A 19 6.375 -0.048 -4.029 1.00 0.57 H ATOM 262 HG2 PRO A 19 4.453 -1.266 -2.114 1.00 0.40 H ATOM 263 HG3 PRO A 19 4.977 -1.836 -3.706 1.00 0.52 H ATOM 264 HD2 PRO A 19 5.919 -2.843 -1.345 1.00 0.42 H ATOM 265 HD3 PRO A 19 6.835 -2.868 -2.868 1.00 0.53 H ATOM 266 N CYS A 20 5.366 0.392 -0.177 1.00 0.33 N ATOM 267 CA CYS A 20 4.773 1.094 0.998 1.00 0.31 C ATOM 268 C CYS A 20 5.871 1.482 1.991 1.00 0.32 C ATOM 269 O CYS A 20 5.721 2.404 2.768 1.00 0.40 O ATOM 270 CB CYS A 20 3.817 0.079 1.624 1.00 0.32 C ATOM 271 SG CYS A 20 2.902 0.865 2.974 1.00 0.36 S ATOM 272 H CYS A 20 4.964 -0.439 -0.505 1.00 0.34 H ATOM 273 HA CYS A 20 4.226 1.967 0.679 1.00 0.37 H ATOM 274 HB2 CYS A 20 3.122 -0.271 0.875 1.00 0.36 H ATOM 275 HB3 CYS A 20 4.381 -0.757 2.010 1.00 0.37 H ATOM 276 N PHE A 21 6.974 0.786 1.973 1.00 0.32 N ATOM 277 CA PHE A 21 8.081 1.116 2.917 1.00 0.39 C ATOM 278 C PHE A 21 9.037 2.126 2.278 1.00 0.45 C ATOM 279 O PHE A 21 9.554 3.007 2.935 1.00 0.55 O ATOM 280 CB PHE A 21 8.794 -0.213 3.170 1.00 0.47 C ATOM 281 CG PHE A 21 10.083 0.042 3.915 1.00 0.63 C ATOM 282 CD1 PHE A 21 10.170 1.108 4.818 1.00 1.36 C ATOM 283 CD2 PHE A 21 11.190 -0.788 3.702 1.00 1.44 C ATOM 284 CE1 PHE A 21 11.365 1.344 5.509 1.00 1.44 C ATOM 285 CE2 PHE A 21 12.385 -0.552 4.393 1.00 1.61 C ATOM 286 CZ PHE A 21 12.472 0.514 5.296 1.00 1.07 C ATOM 287 H PHE A 21 7.076 0.046 1.338 1.00 0.33 H ATOM 288 HA PHE A 21 7.684 1.504 3.842 1.00 0.44 H ATOM 289 HB2 PHE A 21 8.158 -0.856 3.760 1.00 0.53 H ATOM 290 HB3 PHE A 21 9.013 -0.690 2.227 1.00 0.53 H ATOM 291 HD1 PHE A 21 9.316 1.748 4.982 1.00 2.19 H ATOM 292 HD2 PHE A 21 11.122 -1.611 3.006 1.00 2.23 H ATOM 293 HE1 PHE A 21 11.433 2.166 6.205 1.00 2.24 H ATOM 294 HE2 PHE A 21 13.239 -1.193 4.229 1.00 2.47 H ATOM 295 HZ PHE A 21 13.394 0.696 5.829 1.00 1.26 H ATOM 296 N LYS A 22 9.277 2.005 1.001 1.00 0.48 N ATOM 297 CA LYS A 22 10.200 2.959 0.322 1.00 0.60 C ATOM 298 C LYS A 22 9.456 4.247 -0.041 1.00 0.58 C ATOM 299 O LYS A 22 10.056 5.283 -0.253 1.00 0.70 O ATOM 300 CB LYS A 22 10.661 2.232 -0.942 1.00 0.74 C ATOM 301 CG LYS A 22 12.178 2.041 -0.897 1.00 1.31 C ATOM 302 CD LYS A 22 12.543 0.695 -1.527 1.00 1.90 C ATOM 303 CE LYS A 22 13.477 0.925 -2.718 1.00 2.52 C ATOM 304 NZ LYS A 22 14.460 -0.192 -2.656 1.00 3.09 N ATOM 305 H LYS A 22 8.850 1.287 0.488 1.00 0.48 H ATOM 306 HA LYS A 22 11.048 3.177 0.952 1.00 0.67 H ATOM 307 HB2 LYS A 22 10.177 1.267 -0.999 1.00 0.96 H ATOM 308 HB3 LYS A 22 10.400 2.818 -1.810 1.00 1.15 H ATOM 309 HG2 LYS A 22 12.658 2.839 -1.446 1.00 1.80 H ATOM 310 HG3 LYS A 22 12.513 2.058 0.129 1.00 1.88 H ATOM 311 HD2 LYS A 22 13.039 0.077 -0.793 1.00 2.36 H ATOM 312 HD3 LYS A 22 11.645 0.201 -1.867 1.00 2.29 H ATOM 313 HE2 LYS A 22 12.919 0.888 -3.644 1.00 2.97 H ATOM 314 HE3 LYS A 22 13.985 1.871 -2.621 1.00 2.81 H ATOM 315 HZ1 LYS A 22 14.950 -0.171 -1.737 1.00 3.44 H ATOM 316 HZ2 LYS A 22 13.963 -1.098 -2.764 1.00 3.45 H ATOM 317 HZ3 LYS A 22 15.154 -0.086 -3.422 1.00 3.38 H ATOM 318 N ALA A 23 8.155 4.192 -0.113 1.00 0.56 N ATOM 319 CA ALA A 23 7.374 5.414 -0.462 1.00 0.62 C ATOM 320 C ALA A 23 7.064 6.221 0.801 1.00 0.58 C ATOM 321 O ALA A 23 7.421 7.377 0.913 1.00 0.65 O ATOM 322 CB ALA A 23 6.084 4.892 -1.096 1.00 0.68 C ATOM 323 H ALA A 23 7.690 3.347 0.062 1.00 0.60 H ATOM 324 HA ALA A 23 7.916 6.017 -1.173 1.00 0.72 H ATOM 325 HB1 ALA A 23 5.968 3.844 -0.864 1.00 1.22 H ATOM 326 HB2 ALA A 23 5.242 5.444 -0.704 1.00 1.22 H ATOM 327 HB3 ALA A 23 6.132 5.021 -2.167 1.00 1.26 H ATOM 328 N PHE A 24 6.402 5.622 1.752 1.00 0.53 N ATOM 329 CA PHE A 24 6.070 6.356 3.007 1.00 0.57 C ATOM 330 C PHE A 24 7.183 6.167 4.041 1.00 0.59 C ATOM 331 O PHE A 24 7.475 7.052 4.821 1.00 0.92 O ATOM 332 CB PHE A 24 4.767 5.727 3.501 1.00 0.59 C ATOM 333 CG PHE A 24 3.656 6.037 2.526 1.00 0.59 C ATOM 334 CD1 PHE A 24 3.437 7.356 2.112 1.00 0.75 C ATOM 335 CD2 PHE A 24 2.846 5.006 2.037 1.00 0.54 C ATOM 336 CE1 PHE A 24 2.407 7.644 1.208 1.00 0.82 C ATOM 337 CE2 PHE A 24 1.817 5.293 1.133 1.00 0.62 C ATOM 338 CZ PHE A 24 1.597 6.613 0.718 1.00 0.74 C ATOM 339 H PHE A 24 6.123 4.689 1.642 1.00 0.52 H ATOM 340 HA PHE A 24 5.919 7.404 2.802 1.00 0.64 H ATOM 341 HB2 PHE A 24 4.891 4.657 3.578 1.00 0.59 H ATOM 342 HB3 PHE A 24 4.517 6.131 4.471 1.00 0.67 H ATOM 343 HD1 PHE A 24 4.062 8.152 2.490 1.00 0.86 H ATOM 344 HD2 PHE A 24 3.016 3.988 2.356 1.00 0.53 H ATOM 345 HE1 PHE A 24 2.238 8.662 0.888 1.00 0.98 H ATOM 346 HE2 PHE A 24 1.192 4.498 0.755 1.00 0.65 H ATOM 347 HZ PHE A 24 0.803 6.834 0.021 1.00 0.83 H ATOM 348 N GLY A 25 7.807 5.021 4.053 1.00 0.57 N ATOM 349 CA GLY A 25 8.900 4.777 5.036 1.00 0.62 C ATOM 350 C GLY A 25 8.472 3.684 6.016 1.00 0.54 C ATOM 351 O GLY A 25 9.291 3.057 6.659 1.00 0.76 O ATOM 352 H GLY A 25 7.556 4.320 3.415 1.00 0.78 H ATOM 353 HA2 GLY A 25 9.792 4.464 4.512 1.00 0.69 H ATOM 354 HA3 GLY A 25 9.103 5.686 5.582 1.00 0.74 H ATOM 355 N ARG A 26 7.194 3.450 6.137 1.00 0.60 N ATOM 356 CA ARG A 26 6.714 2.396 7.077 1.00 0.61 C ATOM 357 C ARG A 26 5.867 1.364 6.327 1.00 0.52 C ATOM 358 O ARG A 26 4.886 1.697 5.692 1.00 0.72 O ATOM 359 CB ARG A 26 5.865 3.141 8.108 1.00 0.83 C ATOM 360 CG ARG A 26 6.734 4.164 8.842 1.00 1.06 C ATOM 361 CD ARG A 26 6.161 4.414 10.238 1.00 1.88 C ATOM 362 NE ARG A 26 7.038 5.460 10.833 1.00 2.44 N ATOM 363 CZ ARG A 26 7.018 5.680 12.121 1.00 3.06 C ATOM 364 NH1 ARG A 26 6.228 4.985 12.894 1.00 3.34 N ATOM 365 NH2 ARG A 26 7.790 6.598 12.635 1.00 3.90 N ATOM 366 H ARG A 26 6.549 3.966 5.610 1.00 0.84 H ATOM 367 HA ARG A 26 7.549 1.917 7.564 1.00 0.65 H ATOM 368 HB2 ARG A 26 5.055 3.649 7.606 1.00 0.92 H ATOM 369 HB3 ARG A 26 5.463 2.436 8.820 1.00 0.94 H ATOM 370 HG2 ARG A 26 7.742 3.784 8.928 1.00 1.23 H ATOM 371 HG3 ARG A 26 6.744 5.091 8.288 1.00 1.40 H ATOM 372 HD2 ARG A 26 5.142 4.769 10.167 1.00 2.39 H ATOM 373 HD3 ARG A 26 6.205 3.513 10.830 1.00 2.35 H ATOM 374 HE ARG A 26 7.633 5.984 10.257 1.00 2.83 H ATOM 375 HH11 ARG A 26 5.635 4.281 12.503 1.00 3.10 H ATOM 376 HH12 ARG A 26 6.216 5.157 13.879 1.00 4.11 H ATOM 377 HH21 ARG A 26 8.395 7.131 12.045 1.00 4.15 H ATOM 378 HH22 ARG A 26 7.775 6.768 13.621 1.00 4.51 H ATOM 379 N ALA A 27 6.237 0.115 6.397 1.00 0.44 N ATOM 380 CA ALA A 27 5.452 -0.936 5.688 1.00 0.42 C ATOM 381 C ALA A 27 4.161 -1.239 6.454 1.00 0.47 C ATOM 382 O ALA A 27 3.963 -2.331 6.949 1.00 0.79 O ATOM 383 CB ALA A 27 6.363 -2.164 5.666 1.00 0.53 C ATOM 384 H ALA A 27 7.031 -0.133 6.915 1.00 0.59 H ATOM 385 HA ALA A 27 5.229 -0.625 4.680 1.00 0.41 H ATOM 386 HB1 ALA A 27 7.378 -1.862 5.879 1.00 1.14 H ATOM 387 HB2 ALA A 27 6.033 -2.871 6.413 1.00 1.12 H ATOM 388 HB3 ALA A 27 6.322 -2.625 4.690 1.00 1.20 H ATOM 389 N HIS A 28 3.281 -0.280 6.555 1.00 0.41 N ATOM 390 CA HIS A 28 2.005 -0.514 7.289 1.00 0.50 C ATOM 391 C HIS A 28 0.820 0.004 6.469 1.00 0.46 C ATOM 392 O HIS A 28 0.515 1.180 6.477 1.00 0.55 O ATOM 393 CB HIS A 28 2.145 0.278 8.590 1.00 0.65 C ATOM 394 CG HIS A 28 1.371 -0.409 9.681 1.00 0.88 C ATOM 395 ND1 HIS A 28 1.766 -0.363 11.009 1.00 1.60 N ATOM 396 CD2 HIS A 28 0.223 -1.162 9.658 1.00 1.41 C ATOM 397 CE1 HIS A 28 0.871 -1.069 11.723 1.00 1.58 C ATOM 398 NE2 HIS A 28 -0.091 -1.578 10.948 1.00 1.38 N ATOM 399 H HIS A 28 3.460 0.593 6.149 1.00 0.57 H ATOM 400 HA HIS A 28 1.882 -1.563 7.508 1.00 0.58 H ATOM 401 HB2 HIS A 28 3.187 0.333 8.867 1.00 0.72 H ATOM 402 HB3 HIS A 28 1.756 1.275 8.447 1.00 0.66 H ATOM 403 HD1 HIS A 28 2.555 0.099 11.363 1.00 2.32 H ATOM 404 HD2 HIS A 28 -0.349 -1.396 8.772 1.00 2.21 H ATOM 405 HE1 HIS A 28 0.924 -1.208 12.793 1.00 2.18 H ATOM 406 N GLY A 29 0.151 -0.865 5.762 1.00 0.46 N ATOM 407 CA GLY A 29 -1.012 -0.420 4.943 1.00 0.49 C ATOM 408 C GLY A 29 -1.970 -1.595 4.735 1.00 0.50 C ATOM 409 O GLY A 29 -1.837 -2.633 5.352 1.00 0.64 O ATOM 410 H GLY A 29 0.413 -1.809 5.769 1.00 0.56 H ATOM 411 HA2 GLY A 29 -1.527 0.380 5.454 1.00 0.57 H ATOM 412 HA3 GLY A 29 -0.664 -0.071 3.983 1.00 0.49 H ATOM 413 N LYS A 30 -2.935 -1.440 3.870 1.00 0.51 N ATOM 414 CA LYS A 30 -3.901 -2.549 3.624 1.00 0.58 C ATOM 415 C LYS A 30 -4.314 -2.574 2.150 1.00 0.57 C ATOM 416 O LYS A 30 -3.866 -1.770 1.357 1.00 0.68 O ATOM 417 CB LYS A 30 -5.103 -2.231 4.513 1.00 0.68 C ATOM 418 CG LYS A 30 -5.140 -3.206 5.692 1.00 1.01 C ATOM 419 CD LYS A 30 -6.144 -2.711 6.734 1.00 1.48 C ATOM 420 CE LYS A 30 -7.113 -3.842 7.087 1.00 2.05 C ATOM 421 NZ LYS A 30 -6.659 -4.335 8.417 1.00 2.46 N ATOM 422 H LYS A 30 -3.025 -0.595 3.383 1.00 0.56 H ATOM 423 HA LYS A 30 -3.470 -3.495 3.912 1.00 0.63 H ATOM 424 HB2 LYS A 30 -5.020 -1.220 4.884 1.00 0.85 H ATOM 425 HB3 LYS A 30 -6.012 -2.331 3.939 1.00 0.79 H ATOM 426 HG2 LYS A 30 -5.436 -4.184 5.341 1.00 1.49 H ATOM 427 HG3 LYS A 30 -4.159 -3.266 6.140 1.00 1.67 H ATOM 428 HD2 LYS A 30 -5.616 -2.397 7.623 1.00 2.07 H ATOM 429 HD3 LYS A 30 -6.699 -1.877 6.331 1.00 2.03 H ATOM 430 HE2 LYS A 30 -8.124 -3.463 7.149 1.00 2.55 H ATOM 431 HE3 LYS A 30 -7.050 -4.634 6.358 1.00 2.51 H ATOM 432 HZ1 LYS A 30 -6.357 -3.529 9.001 1.00 2.76 H ATOM 433 HZ2 LYS A 30 -7.440 -4.833 8.888 1.00 2.79 H ATOM 434 HZ3 LYS A 30 -5.861 -4.990 8.290 1.00 2.85 H ATOM 435 N CYS A 31 -5.165 -3.491 1.778 1.00 0.64 N ATOM 436 CA CYS A 31 -5.605 -3.565 0.355 1.00 0.66 C ATOM 437 C CYS A 31 -6.978 -2.908 0.191 1.00 0.74 C ATOM 438 O CYS A 31 -7.985 -3.437 0.620 1.00 0.93 O ATOM 439 CB CYS A 31 -5.685 -5.060 0.044 1.00 0.75 C ATOM 440 SG CYS A 31 -6.515 -5.301 -1.546 1.00 0.85 S ATOM 441 H CYS A 31 -5.514 -4.130 2.433 1.00 0.78 H ATOM 442 HA CYS A 31 -4.881 -3.093 -0.289 1.00 0.62 H ATOM 443 HB2 CYS A 31 -4.687 -5.471 -0.005 1.00 0.75 H ATOM 444 HB3 CYS A 31 -6.243 -5.561 0.821 1.00 0.82 H ATOM 445 N MET A 32 -7.027 -1.760 -0.426 1.00 0.71 N ATOM 446 CA MET A 32 -8.335 -1.070 -0.616 1.00 0.83 C ATOM 447 C MET A 32 -8.607 -0.853 -2.107 1.00 0.75 C ATOM 448 O MET A 32 -7.834 -0.226 -2.804 1.00 0.76 O ATOM 449 CB MET A 32 -8.185 0.271 0.102 1.00 0.95 C ATOM 450 CG MET A 32 -9.557 0.755 0.574 1.00 1.55 C ATOM 451 SD MET A 32 -9.436 2.478 1.115 1.00 2.11 S ATOM 452 CE MET A 32 -10.990 2.536 2.039 1.00 2.99 C ATOM 453 H MET A 32 -6.203 -1.350 -0.764 1.00 0.71 H ATOM 454 HA MET A 32 -9.132 -1.642 -0.166 1.00 0.98 H ATOM 455 HB2 MET A 32 -7.531 0.151 0.955 1.00 1.17 H ATOM 456 HB3 MET A 32 -7.763 0.997 -0.576 1.00 1.25 H ATOM 457 HG2 MET A 32 -10.264 0.682 -0.239 1.00 2.11 H ATOM 458 HG3 MET A 32 -9.891 0.142 1.398 1.00 2.11 H ATOM 459 HE1 MET A 32 -11.651 1.759 1.679 1.00 3.36 H ATOM 460 HE2 MET A 32 -10.788 2.385 3.091 1.00 3.44 H ATOM 461 HE3 MET A 32 -11.459 3.496 1.900 1.00 3.36 H ATOM 462 N ASN A 33 -9.700 -1.368 -2.602 1.00 0.79 N ATOM 463 CA ASN A 33 -10.019 -1.190 -4.047 1.00 0.85 C ATOM 464 C ASN A 33 -8.966 -1.889 -4.912 1.00 0.78 C ATOM 465 O ASN A 33 -8.436 -1.318 -5.844 1.00 0.80 O ATOM 466 CB ASN A 33 -9.986 0.321 -4.278 1.00 0.96 C ATOM 467 CG ASN A 33 -11.216 0.741 -5.085 1.00 1.46 C ATOM 468 OD1 ASN A 33 -11.976 -0.093 -5.535 1.00 2.15 O ATOM 469 ND2 ASN A 33 -11.445 2.010 -5.288 1.00 1.99 N ATOM 470 H ASN A 33 -10.310 -1.871 -2.023 1.00 0.86 H ATOM 471 HA ASN A 33 -11.003 -1.575 -4.266 1.00 0.95 H ATOM 472 HB2 ASN A 33 -9.989 0.830 -3.325 1.00 1.13 H ATOM 473 HB3 ASN A 33 -9.093 0.582 -4.824 1.00 1.21 H ATOM 474 HD21 ASN A 33 -10.832 2.683 -4.926 1.00 2.34 H ATOM 475 HD22 ASN A 33 -12.230 2.290 -5.804 1.00 2.46 H ATOM 476 N ASN A 34 -8.658 -3.120 -4.609 1.00 0.75 N ATOM 477 CA ASN A 34 -7.638 -3.853 -5.413 1.00 0.74 C ATOM 478 C ASN A 34 -6.301 -3.109 -5.377 1.00 0.66 C ATOM 479 O ASN A 34 -5.421 -3.354 -6.179 1.00 0.71 O ATOM 480 CB ASN A 34 -8.200 -3.879 -6.835 1.00 0.83 C ATOM 481 CG ASN A 34 -9.664 -4.320 -6.798 1.00 1.07 C ATOM 482 OD1 ASN A 34 -10.444 -3.951 -7.654 1.00 1.60 O ATOM 483 ND2 ASN A 34 -10.074 -5.100 -5.836 1.00 1.05 N ATOM 484 H ASN A 34 -9.096 -3.563 -3.852 1.00 0.78 H ATOM 485 HA ASN A 34 -7.520 -4.860 -5.045 1.00 0.77 H ATOM 486 HB2 ASN A 34 -8.132 -2.891 -7.267 1.00 0.91 H ATOM 487 HB3 ASN A 34 -7.632 -4.574 -7.434 1.00 0.91 H ATOM 488 HD21 ASN A 34 -9.445 -5.398 -5.145 1.00 1.17 H ATOM 489 HD22 ASN A 34 -11.010 -5.388 -5.803 1.00 1.21 H ATOM 490 N LYS A 35 -6.141 -2.201 -4.453 1.00 0.62 N ATOM 491 CA LYS A 35 -4.860 -1.443 -4.367 1.00 0.59 C ATOM 492 C LYS A 35 -4.395 -1.353 -2.911 1.00 0.53 C ATOM 493 O LYS A 35 -5.193 -1.312 -1.996 1.00 0.61 O ATOM 494 CB LYS A 35 -5.186 -0.052 -4.913 1.00 0.67 C ATOM 495 CG LYS A 35 -5.563 -0.158 -6.392 1.00 0.82 C ATOM 496 CD LYS A 35 -5.351 1.196 -7.071 1.00 1.16 C ATOM 497 CE LYS A 35 -5.504 1.037 -8.586 1.00 1.68 C ATOM 498 NZ LYS A 35 -5.117 2.359 -9.152 1.00 2.16 N ATOM 499 H LYS A 35 -6.863 -2.018 -3.816 1.00 0.68 H ATOM 500 HA LYS A 35 -4.103 -1.910 -4.977 1.00 0.60 H ATOM 501 HB2 LYS A 35 -6.014 0.367 -4.358 1.00 0.72 H ATOM 502 HB3 LYS A 35 -4.323 0.587 -4.808 1.00 0.71 H ATOM 503 HG2 LYS A 35 -4.941 -0.903 -6.868 1.00 1.21 H ATOM 504 HG3 LYS A 35 -6.600 -0.445 -6.480 1.00 1.24 H ATOM 505 HD2 LYS A 35 -6.085 1.900 -6.706 1.00 1.70 H ATOM 506 HD3 LYS A 35 -4.360 1.560 -6.848 1.00 1.75 H ATOM 507 HE2 LYS A 35 -4.843 0.261 -8.949 1.00 2.29 H ATOM 508 HE3 LYS A 35 -6.527 0.811 -8.840 1.00 2.10 H ATOM 509 HZ1 LYS A 35 -4.268 2.710 -8.663 1.00 2.59 H ATOM 510 HZ2 LYS A 35 -4.917 2.257 -10.166 1.00 2.50 H ATOM 511 HZ3 LYS A 35 -5.897 3.034 -9.021 1.00 2.56 H ATOM 512 N CYS A 36 -3.109 -1.324 -2.690 1.00 0.50 N ATOM 513 CA CYS A 36 -2.595 -1.237 -1.293 1.00 0.46 C ATOM 514 C CYS A 36 -2.602 0.218 -0.816 1.00 0.39 C ATOM 515 O CYS A 36 -2.110 1.104 -1.487 1.00 0.44 O ATOM 516 CB CYS A 36 -1.164 -1.771 -1.364 1.00 0.53 C ATOM 517 SG CYS A 36 -1.158 -3.536 -0.962 1.00 0.89 S ATOM 518 H CYS A 36 -2.482 -1.358 -3.442 1.00 0.56 H ATOM 519 HA CYS A 36 -3.186 -1.853 -0.635 1.00 0.51 H ATOM 520 HB2 CYS A 36 -0.776 -1.628 -2.362 1.00 0.72 H ATOM 521 HB3 CYS A 36 -0.545 -1.239 -0.657 1.00 0.46 H ATOM 522 N ARG A 37 -3.155 0.471 0.338 1.00 0.39 N ATOM 523 CA ARG A 37 -3.193 1.869 0.857 1.00 0.44 C ATOM 524 C ARG A 37 -2.514 1.943 2.227 1.00 0.42 C ATOM 525 O ARG A 37 -2.996 1.399 3.200 1.00 0.56 O ATOM 526 CB ARG A 37 -4.680 2.207 0.976 1.00 0.57 C ATOM 527 CG ARG A 37 -4.841 3.562 1.668 1.00 1.22 C ATOM 528 CD ARG A 37 -6.239 3.658 2.283 1.00 1.66 C ATOM 529 NE ARG A 37 -6.246 4.951 3.022 1.00 2.24 N ATOM 530 CZ ARG A 37 -7.199 5.215 3.876 1.00 2.82 C ATOM 531 NH1 ARG A 37 -8.151 4.347 4.087 1.00 3.13 N ATOM 532 NH2 ARG A 37 -7.199 6.350 4.519 1.00 3.59 N ATOM 533 H ARG A 37 -3.547 -0.258 0.864 1.00 0.45 H ATOM 534 HA ARG A 37 -2.717 2.542 0.162 1.00 0.48 H ATOM 535 HB2 ARG A 37 -5.119 2.250 -0.010 1.00 1.16 H ATOM 536 HB3 ARG A 37 -5.176 1.446 1.559 1.00 1.00 H ATOM 537 HG2 ARG A 37 -4.097 3.660 2.445 1.00 1.81 H ATOM 538 HG3 ARG A 37 -4.714 4.353 0.945 1.00 1.84 H ATOM 539 HD2 ARG A 37 -6.991 3.661 1.506 1.00 2.05 H ATOM 540 HD3 ARG A 37 -6.406 2.840 2.968 1.00 2.13 H ATOM 541 HE ARG A 37 -5.534 5.606 2.866 1.00 2.65 H ATOM 542 HH11 ARG A 37 -8.154 3.476 3.596 1.00 2.97 H ATOM 543 HH12 ARG A 37 -8.878 4.553 4.742 1.00 3.85 H ATOM 544 HH21 ARG A 37 -6.471 7.016 4.359 1.00 3.87 H ATOM 545 HH22 ARG A 37 -7.928 6.554 5.173 1.00 4.14 H ATOM 546 N CYS A 38 -1.397 2.613 2.310 1.00 0.43 N ATOM 547 CA CYS A 38 -0.688 2.721 3.617 1.00 0.43 C ATOM 548 C CYS A 38 -1.263 3.880 4.436 1.00 0.49 C ATOM 549 O CYS A 38 -1.913 4.762 3.911 1.00 0.56 O ATOM 550 CB CYS A 38 0.772 2.994 3.254 1.00 0.48 C ATOM 551 SG CYS A 38 1.338 1.758 2.060 1.00 0.50 S ATOM 552 H CYS A 38 -1.024 3.045 1.513 1.00 0.55 H ATOM 553 HA CYS A 38 -0.764 1.796 4.166 1.00 0.44 H ATOM 554 HB2 CYS A 38 0.857 3.979 2.820 1.00 0.60 H ATOM 555 HB3 CYS A 38 1.381 2.939 4.145 1.00 0.54 H ATOM 556 N TYR A 39 -1.029 3.884 5.720 1.00 0.58 N ATOM 557 CA TYR A 39 -1.564 4.986 6.572 1.00 0.70 C ATOM 558 C TYR A 39 -0.504 5.435 7.581 1.00 0.86 C ATOM 559 O TYR A 39 0.435 4.720 7.869 1.00 1.24 O ATOM 560 CB TYR A 39 -2.769 4.381 7.292 1.00 1.16 C ATOM 561 CG TYR A 39 -2.291 3.398 8.335 1.00 1.56 C ATOM 562 CD1 TYR A 39 -1.856 3.859 9.583 1.00 2.16 C ATOM 563 CD2 TYR A 39 -2.284 2.027 8.053 1.00 2.18 C ATOM 564 CE1 TYR A 39 -1.414 2.948 10.550 1.00 2.66 C ATOM 565 CE2 TYR A 39 -1.841 1.116 9.019 1.00 2.69 C ATOM 566 CZ TYR A 39 -1.406 1.577 10.268 1.00 2.70 C ATOM 567 OH TYR A 39 -0.970 0.679 11.221 1.00 3.32 O ATOM 568 H TYR A 39 -0.503 3.163 6.125 1.00 0.64 H ATOM 569 HA TYR A 39 -1.879 5.816 5.960 1.00 0.76 H ATOM 570 HB2 TYR A 39 -3.334 5.167 7.770 1.00 1.21 H ATOM 571 HB3 TYR A 39 -3.396 3.869 6.577 1.00 1.43 H ATOM 572 HD1 TYR A 39 -1.862 4.917 9.800 1.00 2.66 H ATOM 573 HD2 TYR A 39 -2.620 1.672 7.090 1.00 2.67 H ATOM 574 HE1 TYR A 39 -1.078 3.303 11.513 1.00 3.35 H ATOM 575 HE2 TYR A 39 -1.836 0.058 8.802 1.00 3.40 H ATOM 576 HH TYR A 39 -1.742 0.314 11.660 1.00 3.62 H ATOM 577 N THR A 40 -0.648 6.615 8.121 1.00 0.93 N ATOM 578 CA THR A 40 0.352 7.108 9.111 1.00 1.33 C ATOM 579 C THR A 40 -0.353 7.565 10.391 1.00 1.72 C ATOM 580 O THR A 40 -1.573 7.582 10.398 1.00 2.28 O ATOM 581 CB THR A 40 1.039 8.290 8.425 1.00 1.43 C ATOM 582 OG1 THR A 40 0.098 9.338 8.237 1.00 1.72 O ATOM 583 CG2 THR A 40 1.590 7.846 7.070 1.00 1.44 C ATOM 584 OXT THR A 40 0.339 7.890 11.342 1.00 2.12 O ATOM 585 H THR A 40 -1.412 7.176 7.875 1.00 0.93 H ATOM 586 HA THR A 40 1.075 6.339 9.332 1.00 1.65 H ATOM 587 HB THR A 40 1.852 8.642 9.042 1.00 1.80 H ATOM 588 HG1 THR A 40 -0.741 8.942 7.991 1.00 1.99 H ATOM 589 HG21 THR A 40 1.139 6.906 6.788 1.00 1.76 H ATOM 590 HG22 THR A 40 1.360 8.594 6.325 1.00 1.81 H ATOM 591 HG23 THR A 40 2.661 7.725 7.139 1.00 1.83 H END If you find results from this site helpful for your research, please cite one of our papers:
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