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*** ***elNémo ID: 22031715584165526Job options:ID = 22031715584165526 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 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1 ATOM 1 N ALA A 1 -0.506 32.656 125.354 1.00 0.38 N ATOM 2 CA ALA A 1 -1.561 32.768 126.432 1.00 0.38 C ATOM 3 C ALA A 1 -2.135 31.402 126.893 1.00 0.38 C ATOM 4 O ALA A 1 -2.826 30.762 126.115 1.00 0.38 O ATOM 5 CB ALA A 1 -2.734 33.647 125.876 1.00 0.38 C ATOM 6 N ASN A 2 -1.910 30.907 128.150 1.00 0.29 N ATOM 7 CA ASN A 2 -2.496 29.620 128.625 1.00 0.29 C ATOM 8 C ASN A 2 -3.887 29.820 129.237 1.00 0.29 C ATOM 9 O ASN A 2 -4.373 28.988 130.079 1.00 0.29 O ATOM 10 CB ASN A 2 -1.629 28.998 129.748 1.00 0.29 C ATOM 11 CG ASN A 2 -0.305 28.480 129.208 1.00 0.29 C ATOM 12 OD1 ASN A 2 -0.307 27.673 128.275 1.00 0.29 O ATOM 13 ND2 ASN A 2 0.823 28.903 129.817 1.00 0.29 N ATOM 14 N SER A 3 -4.577 30.874 128.897 1.00 0.44 N ATOM 15 CA SER A 3 -5.985 31.206 129.082 1.00 0.44 C ATOM 16 C SER A 3 -6.293 32.079 130.270 1.00 0.44 C ATOM 17 O SER A 3 -7.008 33.063 130.122 1.00 0.44 O ATOM 18 CB SER A 3 -7.040 30.066 129.115 1.00 0.44 C ATOM 19 OG SER A 3 -7.069 29.353 127.881 1.00 0.44 O ATOM 20 N PHE A 4 -5.809 31.716 131.477 1.00 0.46 N ATOM 21 CA PHE A 4 -6.218 32.304 132.748 1.00 0.46 C ATOM 22 C PHE A 4 -5.745 33.747 133.005 1.00 0.46 C ATOM 23 O PHE A 4 -6.087 34.686 132.296 1.00 0.46 O ATOM 24 CB PHE A 4 -5.825 31.350 133.926 1.00 0.46 C ATOM 25 CG PHE A 4 -6.700 30.123 134.003 1.00 0.46 C ATOM 26 CD1 PHE A 4 -6.125 28.860 134.223 1.00 0.46 C ATOM 27 CD2 PHE A 4 -8.104 30.226 134.000 1.00 0.46 C ATOM 28 CE1 PHE A 4 -6.928 27.726 134.410 1.00 0.46 C ATOM 29 CE2 PHE A 4 -8.910 29.093 134.163 1.00 0.46 C ATOM 30 CZ PHE A 4 -8.322 27.842 134.369 1.00 0.46 C ATOM 31 N LEU A 5 -4.980 34.007 134.083 1.00 0.51 N ATOM 32 CA LEU A 5 -4.716 35.367 134.518 1.00 0.51 C ATOM 33 C LEU A 5 -3.346 35.898 134.100 1.00 0.51 C ATOM 34 O LEU A 5 -2.933 36.966 134.541 1.00 0.51 O ATOM 35 CB LEU A 5 -4.834 35.503 136.049 1.00 0.51 C ATOM 36 CG LEU A 5 -6.235 35.246 136.655 1.00 0.51 C ATOM 37 CD1 LEU A 5 -6.210 35.768 138.102 1.00 0.51 C ATOM 38 CD2 LEU A 5 -7.402 35.905 135.880 1.00 0.51 C ATOM 39 N GLU A 6 -2.588 35.201 133.221 1.00 0.61 N ATOM 40 CA GLU A 6 -1.277 35.660 132.766 1.00 0.61 C ATOM 41 C GLU A 6 -1.300 37.026 132.076 1.00 0.61 C ATOM 42 O GLU A 6 -0.388 37.829 132.274 1.00 0.61 O ATOM 43 CB GLU A 6 -0.611 34.630 131.824 1.00 0.61 C ATOM 44 CG GLU A 6 -0.149 33.332 132.536 1.00 0.61 C ATOM 45 CD GLU A 6 -0.103 32.107 131.613 1.00 0.61 C ATOM 46 OE1 GLU A 6 -0.676 32.139 130.494 1.00 0.61 O ATOM 47 OE2 GLU A 6 0.425 31.071 132.092 1.00 0.61 O ATOM 48 N GLU A 7 -2.378 37.339 131.319 1.00 0.63 N ATOM 49 CA GLU A 7 -2.619 38.596 130.625 1.00 0.63 C ATOM 50 C GLU A 7 -2.889 39.786 131.554 1.00 0.63 C ATOM 51 O GLU A 7 -3.007 40.926 131.114 1.00 0.63 O ATOM 52 CB GLU A 7 -3.792 38.437 129.628 1.00 0.63 C ATOM 53 CG GLU A 7 -3.506 37.415 128.499 1.00 0.63 C ATOM 54 CD GLU A 7 -4.690 37.237 127.547 1.00 0.63 C ATOM 55 OE1 GLU A 7 -5.730 37.920 127.733 1.00 0.63 O ATOM 56 OE2 GLU A 7 -4.569 36.351 126.662 1.00 0.63 O ATOM 57 N LEU A 8 -2.981 39.588 132.891 1.00 0.58 N ATOM 58 CA LEU A 8 -2.980 40.703 133.827 1.00 0.58 C ATOM 59 C LEU A 8 -1.589 41.258 134.060 1.00 0.58 C ATOM 60 O LEU A 8 -1.414 42.376 134.541 1.00 0.58 O ATOM 61 CB LEU A 8 -3.476 40.260 135.222 1.00 0.58 C ATOM 62 CG LEU A 8 -4.907 39.699 135.261 1.00 0.58 C ATOM 63 CD1 LEU A 8 -5.200 39.210 136.684 1.00 0.58 C ATOM 64 CD2 LEU A 8 -5.966 40.724 134.828 1.00 0.58 C ATOM 65 N ARG A 9 -0.540 40.476 133.745 1.00 0.55 N ATOM 66 CA ARG A 9 0.818 40.914 133.942 1.00 0.55 C ATOM 67 C ARG A 9 1.217 41.832 132.825 1.00 0.55 C ATOM 68 O ARG A 9 0.805 41.647 131.685 1.00 0.55 O ATOM 69 CB ARG A 9 1.816 39.726 133.968 1.00 0.55 C ATOM 70 CG ARG A 9 1.400 38.610 134.948 1.00 0.55 C ATOM 71 CD ARG A 9 2.354 37.415 134.982 1.00 0.55 C ATOM 72 NE ARG A 9 3.614 37.922 135.627 1.00 0.55 N ATOM 73 CZ ARG A 9 4.768 37.246 135.671 1.00 0.55 C ATOM 74 NH1 ARG A 9 4.866 36.039 135.128 1.00 0.55 N ATOM 75 NH2 ARG A 9 5.829 37.772 136.285 1.00 0.55 N ATOM 76 N HIS A 10 2.108 42.811 133.114 1.00 0.61 N ATOM 77 CA HIS A 10 2.797 43.528 132.063 1.00 0.61 C ATOM 78 C HIS A 10 3.595 42.525 131.266 1.00 0.61 C ATOM 79 O HIS A 10 4.181 41.548 131.755 1.00 0.61 O ATOM 80 CB HIS A 10 3.736 44.671 132.549 1.00 0.61 C ATOM 81 CG HIS A 10 4.135 45.704 131.519 1.00 0.61 C ATOM 82 ND1 HIS A 10 5.077 45.388 130.569 1.00 0.61 N ATOM 83 CD2 HIS A 10 3.749 47.003 131.370 1.00 0.61 C ATOM 84 CE1 HIS A 10 5.249 46.482 129.854 1.00 0.61 C ATOM 85 NE2 HIS A 10 4.470 47.493 130.302 1.00 0.61 N ATOM 86 N SER A 11 3.493 42.741 129.981 1.00 0.71 N ATOM 87 CA SER A 11 4.034 42.013 128.914 1.00 0.71 C ATOM 88 C SER A 11 5.553 41.928 128.899 1.00 0.71 C ATOM 89 O SER A 11 6.284 42.886 129.042 1.00 0.71 O ATOM 90 CB SER A 11 3.489 42.809 127.741 1.00 0.71 C ATOM 91 OG SER A 11 2.079 42.885 127.769 1.00 0.71 O ATOM 92 N SER A 12 6.082 40.707 128.703 1.00 0.69 N ATOM 93 CA SER A 12 7.509 40.478 128.725 1.00 0.69 C ATOM 94 C SER A 12 7.890 39.622 127.540 1.00 0.69 C ATOM 95 O SER A 12 7.377 38.519 127.389 1.00 0.69 O ATOM 96 CB SER A 12 7.877 39.727 130.023 1.00 0.69 C ATOM 97 OG SER A 12 9.267 39.391 130.054 1.00 0.69 O ATOM 98 N LEU A 13 8.801 40.110 126.668 1.00 0.67 N ATOM 99 CA LEU A 13 9.258 39.431 125.465 1.00 0.67 C ATOM 100 C LEU A 13 9.968 38.154 125.649 1.00 0.67 C ATOM 101 O LEU A 13 9.749 37.206 124.894 1.00 0.67 O ATOM 102 CB LEU A 13 10.207 40.351 124.669 1.00 0.67 C ATOM 103 CG LEU A 13 10.666 39.896 123.268 1.00 0.67 C ATOM 104 CD1 LEU A 13 9.582 40.032 122.216 1.00 0.67 C ATOM 105 CD2 LEU A 13 11.807 40.818 122.819 1.00 0.67 C ATOM 106 N GLU A 14 10.820 38.084 126.670 1.00 0.62 N ATOM 107 CA GLU A 14 11.477 36.862 126.991 1.00 0.62 C ATOM 108 C GLU A 14 10.454 35.785 127.314 1.00 0.62 C ATOM 109 O GLU A 14 10.325 34.818 126.578 1.00 0.62 O ATOM 110 CB GLU A 14 12.414 37.173 128.148 1.00 0.62 C ATOM 111 CG GLU A 14 13.281 35.977 128.563 1.00 0.62 C ATOM 112 CD GLU A 14 14.286 36.431 129.613 1.00 0.62 C ATOM 113 OE1 GLU A 14 14.164 37.601 130.074 1.00 0.62 O ATOM 114 OE2 GLU A 14 15.214 35.647 129.922 1.00 0.62 O ATOM 115 N ARG A 15 9.579 36.043 128.304 1.00 0.64 N ATOM 116 CA ARG A 15 8.609 35.076 128.764 1.00 0.64 C ATOM 117 C ARG A 15 7.573 34.702 127.706 1.00 0.64 C ATOM 118 O ARG A 15 7.381 33.537 127.383 1.00 0.64 O ATOM 119 CB ARG A 15 7.895 35.684 129.999 1.00 0.64 C ATOM 120 CG ARG A 15 6.980 34.708 130.772 1.00 0.64 C ATOM 121 CD ARG A 15 5.672 35.352 131.253 1.00 0.64 C ATOM 122 NE ARG A 15 5.988 36.578 132.088 1.00 0.64 N ATOM 123 CZ ARG A 15 5.254 37.704 132.021 1.00 0.64 C ATOM 124 NH1 ARG A 15 4.154 37.786 131.289 1.00 0.64 N ATOM 125 NH2 ARG A 15 5.660 38.812 132.653 1.00 0.64 N ATOM 126 N GLU A 16 6.914 35.703 127.088 1.00 0.66 N ATOM 127 CA GLU A 16 5.811 35.448 126.186 1.00 0.66 C ATOM 128 C GLU A 16 6.264 34.988 124.783 1.00 0.66 C ATOM 129 O GLU A 16 5.636 34.127 124.186 1.00 0.66 O ATOM 130 CB GLU A 16 4.867 36.681 126.107 1.00 0.66 C ATOM 131 CG GLU A 16 4.140 37.094 127.434 1.00 0.66 C ATOM 132 CD GLU A 16 3.281 36.060 128.177 1.00 0.66 C ATOM 133 OE1 GLU A 16 2.744 35.122 127.560 1.00 0.66 O ATOM 134 OE2 GLU A 16 3.159 36.270 129.415 1.00 0.66 O ATOM 135 N CYS A 17 7.363 35.542 124.193 1.00 0.69 N ATOM 136 CA CYS A 17 7.702 35.289 122.786 1.00 0.69 C ATOM 137 C CYS A 17 9.012 34.561 122.528 1.00 0.69 C ATOM 138 O CYS A 17 9.223 34.078 121.423 1.00 0.69 O ATOM 139 CB CYS A 17 7.876 36.596 121.977 1.00 0.69 C ATOM 140 SG CYS A 17 6.337 37.489 121.661 1.00 0.69 S ATOM 141 N ILE A 18 9.941 34.490 123.506 1.00 0.64 N ATOM 142 CA ILE A 18 11.191 33.763 123.330 1.00 0.64 C ATOM 143 C ILE A 18 11.132 32.427 124.064 1.00 0.64 C ATOM 144 O ILE A 18 11.602 31.414 123.550 1.00 0.64 O ATOM 145 CB ILE A 18 12.379 34.611 123.788 1.00 0.64 C ATOM 146 CG1 ILE A 18 12.553 35.817 122.826 1.00 0.64 C ATOM 147 CG2 ILE A 18 13.672 33.761 123.883 1.00 0.64 C ATOM 148 CD1 ILE A 18 13.584 36.842 123.318 1.00 0.64 C ATOM 149 N GLU A 19 10.522 32.368 125.269 1.00 0.62 N ATOM 150 CA GLU A 19 10.359 31.139 126.028 1.00 0.62 C ATOM 151 C GLU A 19 9.134 30.352 125.585 1.00 0.62 C ATOM 152 O GLU A 19 9.055 29.136 125.757 1.00 0.62 O ATOM 153 CB GLU A 19 10.218 31.462 127.536 1.00 0.62 C ATOM 154 CG GLU A 19 11.470 32.095 128.190 1.00 0.62 C ATOM 155 CD GLU A 19 11.227 32.439 129.660 1.00 0.62 C ATOM 156 OE1 GLU A 19 10.080 32.284 130.152 1.00 0.62 O ATOM 157 OE2 GLU A 19 12.206 32.868 130.314 1.00 0.62 O ATOM 158 N GLU A 20 8.179 31.039 124.937 1.00 0.61 N ATOM 159 CA GLU A 20 6.950 30.482 124.441 1.00 0.61 C ATOM 160 C GLU A 20 6.751 31.077 123.072 1.00 0.61 C ATOM 161 O GLU A 20 7.325 32.097 122.719 1.00 0.61 O ATOM 162 CB GLU A 20 5.735 30.842 125.339 1.00 0.61 C ATOM 163 CG GLU A 20 5.837 30.257 126.768 1.00 0.61 C ATOM 164 CD GLU A 20 4.554 30.419 127.583 1.00 0.61 C ATOM 165 OE1 GLU A 20 3.533 30.907 127.041 1.00 0.61 O ATOM 166 OE2 GLU A 20 4.576 29.946 128.753 1.00 0.61 O ATOM 167 N ILE A 21 5.960 30.405 122.221 1.00 0.66 N ATOM 168 CA ILE A 21 5.476 30.972 120.971 1.00 0.66 C ATOM 169 C ILE A 21 4.493 32.107 121.243 1.00 0.66 C ATOM 170 O ILE A 21 3.745 32.048 122.209 1.00 0.66 O ATOM 171 CB ILE A 21 4.817 29.909 120.087 1.00 0.66 C ATOM 172 CG1 ILE A 21 3.546 29.312 120.754 1.00 0.66 C ATOM 173 CG2 ILE A 21 5.894 28.839 119.785 1.00 0.66 C ATOM 174 CD1 ILE A 21 2.784 28.304 119.887 1.00 0.66 C ATOM 175 N CYS A 22 4.443 33.158 120.398 1.00 0.72 N ATOM 176 CA CYS A 22 3.518 34.241 120.660 1.00 0.72 C ATOM 177 C CYS A 22 2.852 34.724 119.401 1.00 0.72 C ATOM 178 O CYS A 22 3.374 34.572 118.303 1.00 0.72 O ATOM 179 CB CYS A 22 4.219 35.438 121.349 1.00 0.72 C ATOM 180 SG CYS A 22 5.375 36.376 120.300 1.00 0.72 S ATOM 181 N ASP A 23 1.693 35.376 119.584 1.00 0.75 N ATOM 182 CA ASP A 23 0.990 36.109 118.559 1.00 0.75 C ATOM 183 C ASP A 23 1.608 37.500 118.351 1.00 0.75 C ATOM 184 O ASP A 23 2.375 38.018 119.157 1.00 0.75 O ATOM 185 CB ASP A 23 -0.527 36.192 118.898 1.00 0.75 C ATOM 186 CG ASP A 23 -1.146 34.798 118.884 1.00 0.75 C ATOM 187 OD1 ASP A 23 -0.653 33.951 118.096 1.00 0.75 O ATOM 188 OD2 ASP A 23 -2.161 34.596 119.594 1.00 0.75 O ATOM 189 N PHE A 24 1.277 38.169 117.215 1.00 0.74 N ATOM 190 CA PHE A 24 1.686 39.544 116.934 1.00 0.74 C ATOM 191 C PHE A 24 1.160 40.495 117.994 1.00 0.74 C ATOM 192 O PHE A 24 1.879 41.390 118.422 1.00 0.74 O ATOM 193 CB PHE A 24 1.240 39.998 115.494 1.00 0.74 C ATOM 194 CG PHE A 24 1.389 41.494 115.218 1.00 0.74 C ATOM 195 CD1 PHE A 24 0.431 42.405 115.704 1.00 0.74 C ATOM 196 CD2 PHE A 24 2.505 42.012 114.541 1.00 0.74 C ATOM 197 CE1 PHE A 24 0.631 43.786 115.606 1.00 0.74 C ATOM 198 CE2 PHE A 24 2.659 43.393 114.349 1.00 0.74 C ATOM 199 CZ PHE A 24 1.739 44.284 114.915 1.00 0.74 C ATOM 200 N GLU A 25 -0.098 40.336 118.451 1.00 0.75 N ATOM 201 CA GLU A 25 -0.679 41.152 119.498 1.00 0.75 C ATOM 202 C GLU A 25 0.064 41.019 120.808 1.00 0.75 C ATOM 203 O GLU A 25 0.429 42.035 121.385 1.00 0.75 O ATOM 204 CB GLU A 25 -2.176 40.851 119.677 1.00 0.75 C ATOM 205 CG GLU A 25 -3.001 41.302 118.449 1.00 0.75 C ATOM 206 CD GLU A 25 -4.489 41.004 118.599 1.00 0.75 C ATOM 207 OE1 GLU A 25 -4.880 40.299 119.557 1.00 0.75 O ATOM 208 OE2 GLU A 25 -5.239 41.504 117.722 1.00 0.75 O ATOM 209 N GLU A 26 0.435 39.780 121.225 1.00 0.75 N ATOM 210 CA GLU A 26 1.282 39.540 122.384 1.00 0.75 C ATOM 211 C GLU A 26 2.616 40.241 122.177 1.00 0.75 C ATOM 212 O GLU A 26 3.076 40.955 123.062 1.00 0.75 O ATOM 213 CB GLU A 26 1.515 38.020 122.647 1.00 0.75 C ATOM 214 CG GLU A 26 0.232 37.243 123.082 1.00 0.75 C ATOM 215 CD GLU A 26 0.418 35.721 123.208 1.00 0.75 C ATOM 216 OE1 GLU A 26 -0.022 35.053 124.183 1.00 0.75 O ATOM 217 OE2 GLU A 26 0.990 35.191 122.225 1.00 0.75 O ATOM 218 N ALA A 27 3.209 40.154 120.956 1.00 0.77 N ATOM 219 CA ALA A 27 4.383 40.921 120.560 1.00 0.77 C ATOM 220 C ALA A 27 4.252 42.429 120.616 1.00 0.77 C ATOM 221 O ALA A 27 5.124 43.136 121.091 1.00 0.77 O ATOM 222 CB ALA A 27 5.050 40.484 119.240 1.00 0.77 C ATOM 223 N LYS A 28 3.139 42.988 120.188 1.00 0.73 N ATOM 224 CA LYS A 28 2.850 44.380 120.347 1.00 0.73 C ATOM 225 C LYS A 28 2.670 44.851 121.775 1.00 0.73 C ATOM 226 O LYS A 28 3.089 45.953 122.112 1.00 0.73 O ATOM 227 CB LYS A 28 1.576 44.647 119.559 1.00 0.73 C ATOM 228 CG LYS A 28 1.210 46.122 119.572 1.00 0.73 C ATOM 229 CD LYS A 28 -0.048 46.336 118.750 1.00 0.73 C ATOM 230 CE LYS A 28 -0.481 47.794 118.758 1.00 0.73 C ATOM 231 NZ LYS A 28 -1.697 47.945 117.937 1.00 0.73 N ATOM 232 N GLU A 29 2.023 44.047 122.635 1.00 0.71 N ATOM 233 CA GLU A 29 1.877 44.333 124.046 1.00 0.71 C ATOM 234 C GLU A 29 3.223 44.397 124.809 1.00 0.71 C ATOM 235 O GLU A 29 3.454 45.276 125.635 1.00 0.71 O ATOM 236 CB GLU A 29 0.904 43.307 124.678 1.00 0.71 C ATOM 237 CG GLU A 29 -0.562 43.338 124.170 1.00 0.71 C ATOM 238 CD GLU A 29 -1.374 42.228 124.831 1.00 0.71 C ATOM 239 OE1 GLU A 29 -0.752 41.341 125.470 1.00 0.71 O ATOM 240 OE2 GLU A 29 -2.620 42.300 124.711 1.00 0.71 O ATOM 241 N ILE A 30 4.169 43.468 124.545 1.00 0.63 N ATOM 242 CA ILE A 30 5.491 43.346 125.183 1.00 0.63 C ATOM 243 C ILE A 30 6.524 44.366 124.679 1.00 0.63 C ATOM 244 O ILE A 30 7.561 44.575 125.302 1.00 0.63 O ATOM 245 CB ILE A 30 6.066 41.919 125.031 1.00 0.63 C ATOM 246 CG1 ILE A 30 6.153 41.664 123.536 1.00 0.63 C ATOM 247 CG2 ILE A 30 5.220 40.737 125.601 1.00 0.63 C ATOM 248 CD1 ILE A 30 6.445 40.227 123.209 1.00 0.63 C ATOM 249 N PHE A 31 6.262 45.036 123.536 1.00 0.60 N ATOM 250 CA PHE A 31 7.077 46.109 123.008 1.00 0.60 C ATOM 251 C PHE A 31 6.424 47.448 123.213 1.00 0.60 C ATOM 252 O PHE A 31 5.257 47.573 123.558 1.00 0.60 O ATOM 253 CB PHE A 31 7.337 45.922 121.505 1.00 0.60 C ATOM 254 CG PHE A 31 8.349 44.843 121.324 1.00 0.60 C ATOM 255 CD1 PHE A 31 9.635 44.910 121.888 1.00 0.60 C ATOM 256 CD2 PHE A 31 8.035 43.774 120.501 1.00 0.60 C ATOM 257 CE1 PHE A 31 10.634 44.026 121.469 1.00 0.60 C ATOM 258 CE2 PHE A 31 8.974 42.810 120.190 1.00 0.60 C ATOM 259 CZ PHE A 31 10.303 42.985 120.595 1.00 0.60 C ATOM 260 N GLN A 32 7.211 48.520 123.031 1.00 0.58 N ATOM 261 CA GLN A 32 6.758 49.856 123.324 1.00 0.58 C ATOM 262 C GLN A 32 6.426 50.648 122.058 1.00 0.58 C ATOM 263 O GLN A 32 6.140 51.839 122.131 1.00 0.58 O ATOM 264 CB GLN A 32 7.827 50.588 124.174 1.00 0.58 C ATOM 265 CG GLN A 32 8.071 49.952 125.571 1.00 0.58 C ATOM 266 CD GLN A 32 6.800 49.949 126.424 1.00 0.58 C ATOM 267 OE1 GLN A 32 6.058 50.929 126.492 1.00 0.58 O ATOM 268 NE2 GLN A 32 6.524 48.822 127.118 1.00 0.58 N ATOM 269 N ASN A 33 6.419 50.037 120.845 1.00 0.61 N ATOM 270 CA ASN A 33 6.111 50.807 119.657 1.00 0.61 C ATOM 271 C ASN A 33 5.707 49.875 118.512 1.00 0.61 C ATOM 272 O ASN A 33 6.065 48.704 118.507 1.00 0.61 O ATOM 273 CB ASN A 33 7.300 51.729 119.241 1.00 0.61 C ATOM 274 CG ASN A 33 6.761 52.879 118.404 1.00 0.61 C ATOM 275 OD1 ASN A 33 6.370 52.709 117.253 1.00 0.61 O ATOM 276 ND2 ASN A 33 6.645 54.080 119.006 1.00 0.61 N ATOM 277 N VAL A 34 4.968 50.390 117.495 1.00 0.66 N ATOM 278 CA VAL A 34 4.682 49.749 116.214 1.00 0.66 C ATOM 279 C VAL A 34 5.960 49.431 115.451 1.00 0.66 C ATOM 280 O VAL A 34 6.081 48.320 114.937 1.00 0.66 O ATOM 281 CB VAL A 34 3.772 50.614 115.331 1.00 0.66 C ATOM 282 CG1 VAL A 34 3.533 49.958 113.947 1.00 0.66 C ATOM 283 CG2 VAL A 34 2.426 50.832 116.054 1.00 0.66 C ATOM 284 N ASP A 35 6.952 50.351 115.401 1.00 0.68 N ATOM 285 CA ASP A 35 8.219 50.166 114.703 1.00 0.68 C ATOM 286 C ASP A 35 9.010 48.949 115.187 1.00 0.68 C ATOM 287 O ASP A 35 9.415 48.086 114.400 1.00 0.68 O ATOM 288 CB ASP A 35 9.096 51.431 114.930 1.00 0.68 C ATOM 289 CG ASP A 35 8.567 52.644 114.183 1.00 0.68 C ATOM 290 OD1 ASP A 35 7.687 52.471 113.303 1.00 0.68 O ATOM 291 OD2 ASP A 35 9.061 53.760 114.485 1.00 0.68 O ATOM 292 N ASP A 36 9.160 48.824 116.525 1.00 0.65 N ATOM 293 CA ASP A 36 9.769 47.707 117.222 1.00 0.65 C ATOM 294 C ASP A 36 8.998 46.419 116.986 1.00 0.65 C ATOM 295 O ASP A 36 9.575 45.371 116.711 1.00 0.65 O ATOM 296 CB ASP A 36 9.839 47.980 118.754 1.00 0.65 C ATOM 297 CG ASP A 36 10.840 49.068 119.097 1.00 0.65 C ATOM 298 OD1 ASP A 36 11.696 49.392 118.241 1.00 0.65 O ATOM 299 OD2 ASP A 36 10.748 49.570 120.248 1.00 0.65 O ATOM 300 N THR A 37 7.651 46.478 117.036 1.00 0.67 N ATOM 301 CA THR A 37 6.786 45.340 116.738 1.00 0.67 C ATOM 302 C THR A 37 6.910 44.837 115.309 1.00 0.67 C ATOM 303 O THR A 37 7.043 43.635 115.092 1.00 0.67 O ATOM 304 CB THR A 37 5.314 45.605 116.996 1.00 0.67 C ATOM 305 OG1 THR A 37 5.121 46.045 118.322 1.00 0.67 O ATOM 306 CG2 THR A 37 4.514 44.304 116.917 1.00 0.67 C ATOM 307 N LEU A 38 6.913 45.732 114.286 1.00 0.72 N ATOM 308 CA LEU A 38 7.106 45.366 112.885 1.00 0.72 C ATOM 309 C LEU A 38 8.456 44.733 112.651 1.00 0.72 C ATOM 310 O LEU A 38 8.557 43.694 111.996 1.00 0.72 O ATOM 311 CB LEU A 38 7.049 46.594 111.932 1.00 0.72 C ATOM 312 CG LEU A 38 5.669 47.251 111.754 1.00 0.72 C ATOM 313 CD1 LEU A 38 5.836 48.567 110.973 1.00 0.72 C ATOM 314 CD2 LEU A 38 4.666 46.323 111.046 1.00 0.72 C ATOM 315 N ALA A 39 9.521 45.336 113.221 1.00 0.76 N ATOM 316 CA ALA A 39 10.852 44.788 113.181 1.00 0.76 C ATOM 317 C ALA A 39 10.982 43.465 113.908 1.00 0.76 C ATOM 318 O ALA A 39 11.526 42.514 113.365 1.00 0.76 O ATOM 319 CB ALA A 39 11.856 45.777 113.809 1.00 0.76 C ATOM 320 N PHE A 40 10.473 43.301 115.140 1.00 0.67 N ATOM 321 CA PHE A 40 10.542 42.015 115.793 1.00 0.67 C ATOM 322 C PHE A 40 9.760 40.933 115.070 1.00 0.67 C ATOM 323 O PHE A 40 10.276 39.838 114.879 1.00 0.67 O ATOM 324 CB PHE A 40 10.056 42.125 117.247 1.00 0.67 C ATOM 325 CG PHE A 40 10.046 40.773 117.934 1.00 0.67 C ATOM 326 CD1 PHE A 40 11.226 40.196 118.419 1.00 0.67 C ATOM 327 CD2 PHE A 40 8.840 40.054 118.041 1.00 0.67 C ATOM 328 CE1 PHE A 40 11.199 38.940 119.040 1.00 0.67 C ATOM 329 CE2 PHE A 40 8.802 38.817 118.690 1.00 0.67 C ATOM 330 CZ PHE A 40 9.985 38.257 119.183 1.00 0.67 C ATOM 331 N TRP A 41 8.513 41.215 114.642 1.00 0.68 N ATOM 332 CA TRP A 41 7.658 40.226 114.031 1.00 0.68 C ATOM 333 C TRP A 41 8.239 39.682 112.737 1.00 0.68 C ATOM 334 O TRP A 41 8.193 38.477 112.505 1.00 0.68 O ATOM 335 CB TRP A 41 6.233 40.785 113.812 1.00 0.68 C ATOM 336 CG TRP A 41 5.212 39.706 113.473 1.00 0.68 C ATOM 337 CD1 TRP A 41 4.631 39.421 112.269 1.00 0.68 C ATOM 338 CD2 TRP A 41 4.774 38.693 114.394 1.00 0.68 C ATOM 339 NE1 TRP A 41 3.824 38.312 112.387 1.00 0.68 N ATOM 340 CE2 TRP A 41 3.910 37.830 113.671 1.00 0.68 C ATOM 341 CE3 TRP A 41 5.066 38.451 115.734 1.00 0.68 C ATOM 342 CZ2 TRP A 41 3.347 36.722 114.282 1.00 0.68 C ATOM 343 CZ3 TRP A 41 4.484 37.336 116.350 1.00 0.68 C ATOM 344 CH2 TRP A 41 3.640 36.478 115.629 1.00 0.68 C ATOM 345 N SER A 42 8.862 40.549 111.900 1.00 0.74 N ATOM 346 CA SER A 42 9.549 40.116 110.688 1.00 0.74 C ATOM 347 C SER A 42 10.668 39.139 111.015 1.00 0.74 C ATOM 348 O SER A 42 10.705 38.038 110.501 1.00 0.74 O ATOM 349 CB SER A 42 10.067 41.312 109.818 1.00 0.74 C ATOM 350 OG SER A 42 11.116 42.066 110.433 1.00 0.74 O ATOM 351 N LYS A 43 11.526 39.471 112.004 1.00 0.64 N ATOM 352 CA LYS A 43 12.593 38.587 112.435 1.00 0.64 C ATOM 353 C LYS A 43 12.104 37.297 113.062 1.00 0.64 C ATOM 354 O LYS A 43 12.649 36.235 112.797 1.00 0.64 O ATOM 355 CB LYS A 43 13.520 39.282 113.460 1.00 0.64 C ATOM 356 CG LYS A 43 14.036 40.643 112.974 1.00 0.64 C ATOM 357 CD LYS A 43 14.732 41.435 114.089 1.00 0.64 C ATOM 358 CE LYS A 43 16.100 40.832 114.391 1.00 0.64 C ATOM 359 NZ LYS A 43 16.846 41.664 115.355 1.00 0.64 N ATOM 360 N HIS A 44 11.069 37.368 113.918 1.00 0.63 N ATOM 361 CA HIS A 44 10.457 36.247 114.605 1.00 0.63 C ATOM 362 C HIS A 44 9.862 35.217 113.646 1.00 0.63 C ATOM 363 O HIS A 44 10.224 34.046 113.693 1.00 0.63 O ATOM 364 CB HIS A 44 9.366 36.837 115.539 1.00 0.63 C ATOM 365 CG HIS A 44 8.613 35.872 116.384 1.00 0.63 C ATOM 366 ND1 HIS A 44 9.217 35.329 117.495 1.00 0.63 N ATOM 367 CD2 HIS A 44 7.358 35.378 116.228 1.00 0.63 C ATOM 368 CE1 HIS A 44 8.321 34.495 117.992 1.00 0.63 C ATOM 369 NE2 HIS A 44 7.178 34.492 117.264 1.00 0.63 N ATOM 370 N VAL A 45 9.029 35.648 112.669 1.00 0.61 N ATOM 371 CA VAL A 45 8.430 34.781 111.654 1.00 0.61 C ATOM 372 C VAL A 45 9.469 34.146 110.735 1.00 0.61 C ATOM 373 O VAL A 45 9.339 32.990 110.334 1.00 0.61 O ATOM 374 CB VAL A 45 7.354 35.511 110.846 1.00 0.61 C ATOM 375 CG1 VAL A 45 6.764 34.606 109.739 1.00 0.61 C ATOM 376 CG2 VAL A 45 6.219 35.929 111.803 1.00 0.61 C ATOM 377 N ASP A 46 10.560 34.873 110.413 1.00 0.51 N ATOM 378 CA ASP A 46 11.622 34.403 109.544 1.00 0.51 C ATOM 379 C ASP A 46 12.550 33.378 110.231 1.00 0.51 C ATOM 380 O ASP A 46 13.461 32.838 109.601 1.00 0.51 O ATOM 381 CB ASP A 46 12.450 35.626 109.031 1.00 0.51 C ATOM 382 CG ASP A 46 11.793 36.363 107.866 1.00 0.51 C ATOM 383 OD1 ASP A 46 10.901 35.776 107.201 1.00 0.51 O ATOM 384 OD2 ASP A 46 12.234 37.510 107.592 1.00 0.51 O ATOM 385 N LEU A 47 12.342 33.082 111.539 1.00 0.43 N ATOM 386 CA LEU A 47 13.135 32.158 112.335 1.00 0.43 C ATOM 387 C LEU A 47 12.331 30.999 112.939 1.00 0.43 C ATOM 388 O LEU A 47 12.785 30.412 113.920 1.00 0.43 O ATOM 389 CB LEU A 47 13.803 32.905 113.517 1.00 0.43 C ATOM 390 CG LEU A 47 14.840 33.968 113.116 1.00 0.43 C ATOM 391 CD1 LEU A 47 15.264 34.724 114.386 1.00 0.43 C ATOM 392 CD2 LEU A 47 16.045 33.366 112.374 1.00 0.43 C ATOM 393 N GLU A 48 11.138 30.657 112.400 1.00 0.34 N ATOM 394 CA GLU A 48 10.378 29.488 112.835 1.00 0.34 C ATOM 395 C GLU A 48 11.029 28.098 112.503 1.00 0.34 C ATOM 396 O GLU A 48 12.044 28.027 111.759 1.00 0.34 O ATOM 397 CB GLU A 48 8.946 29.499 112.223 1.00 0.34 C ATOM 398 CG GLU A 48 7.992 30.641 112.692 1.00 0.34 C ATOM 399 CD GLU A 48 7.650 30.665 114.188 1.00 0.34 C ATOM 400 OE1 GLU A 48 7.060 29.670 114.685 1.00 0.34 O ATOM 401 OE2 GLU A 48 7.871 31.728 114.824 1.00 0.34 O ATOM 402 OXT GLU A 48 10.480 27.070 112.996 1.00 0.34 O ATOM 1 CA CA A 201 -3.838 43.998 123.492 1.00 33.90 CA ATOM 2 CA CA A 202 -2.960 39.697 125.417 1.00 44.33 CA ATOM 3 CA CA A 203 0.517 39.837 127.003 1.00 38.51 CA ATOM 4 CA CA A 204 0.676 36.233 126.859 1.00 41.60 CA ATOM 5 CA CA A 205 2.311 33.198 128.616 1.00 42.51 CA ATOM 6 CA CA A 206 5.962 29.935 130.283 1.00 68.72 CA ATOM 7 CA CA A 207 14.377 33.117 129.709 1.00 42.84 CA END If you find results from this site helpful for your research, please cite one of our papers:
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