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*** f91nl2ca ***elNémo ID: 22031706102276355Job options:ID = 22031706102276355 JOBID = f91nl2ca 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:HEADER f91nl2ca CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1 ATOM 1 N TYR A 1 2.698 33.176 124.781 1.00 0.59 N ATOM 2 CA TYR A 1 1.512 32.268 124.610 1.00 0.59 C ATOM 3 C TYR A 1 0.517 32.552 125.706 1.00 0.59 C ATOM 4 O TYR A 1 0.899 32.791 126.838 1.00 0.59 O ATOM 5 CB TYR A 1 1.912 30.747 124.666 1.00 0.59 C ATOM 6 CG TYR A 1 0.758 29.755 124.600 1.00 0.59 C ATOM 7 CD1 TYR A 1 0.258 29.176 125.783 1.00 0.59 C ATOM 8 CD2 TYR A 1 0.165 29.387 123.381 1.00 0.59 C ATOM 9 CE1 TYR A 1 -0.807 28.266 125.746 1.00 0.59 C ATOM 10 CE2 TYR A 1 -0.922 28.495 123.350 1.00 0.59 C ATOM 11 CZ TYR A 1 -1.410 27.934 124.535 1.00 0.59 C ATOM 12 OH TYR A 1 -2.505 27.042 124.530 1.00 0.59 O ATOM 13 N ASN A 2 -0.801 32.490 125.446 1.00 0.57 N ATOM 14 CA ASN A 2 -1.761 32.731 126.500 1.00 0.57 C ATOM 15 C ASN A 2 -2.295 31.375 126.950 1.00 0.57 C ATOM 16 O ASN A 2 -2.952 30.701 126.159 1.00 0.57 O ATOM 17 CB ASN A 2 -2.939 33.605 125.975 1.00 0.57 C ATOM 18 CG ASN A 2 -2.469 35.030 125.681 1.00 0.57 C ATOM 19 OD1 ASN A 2 -1.779 35.648 126.484 1.00 0.57 O ATOM 20 ND2 ASN A 2 -2.875 35.599 124.519 1.00 0.57 N ATOM 21 N SER A 3 -2.066 30.940 128.224 1.00 0.66 N ATOM 22 CA SER A 3 -2.621 29.674 128.730 1.00 0.66 C ATOM 23 C SER A 3 -4.057 29.819 129.208 1.00 0.66 C ATOM 24 O SER A 3 -4.699 28.885 129.687 1.00 0.66 O ATOM 25 CB SER A 3 -1.744 28.917 129.803 1.00 0.66 C ATOM 26 OG SER A 3 -1.805 29.472 131.093 1.00 0.66 O ATOM 27 N GLY A 4 -4.633 31.017 128.994 1.00 0.71 N ATOM 28 CA GLY A 4 -6.057 31.308 129.071 1.00 0.71 C ATOM 29 C GLY A 4 -6.480 32.028 130.324 1.00 0.71 C ATOM 30 O GLY A 4 -7.405 32.830 130.279 1.00 0.71 O ATOM 31 N LYS A 5 -5.838 31.740 131.476 1.00 0.44 N ATOM 32 CA LYS A 5 -6.242 32.249 132.786 1.00 0.44 C ATOM 33 C LYS A 5 -5.905 33.710 133.128 1.00 0.44 C ATOM 34 O LYS A 5 -6.525 34.621 132.605 1.00 0.44 O ATOM 35 CB LYS A 5 -5.789 31.312 133.934 1.00 0.44 C ATOM 36 CG LYS A 5 -6.574 29.995 133.990 1.00 0.44 C ATOM 37 CD LYS A 5 -6.078 29.117 135.150 1.00 0.44 C ATOM 38 CE LYS A 5 -6.851 27.806 135.294 1.00 0.44 C ATOM 39 NZ LYS A 5 -6.292 26.985 136.393 1.00 0.44 N ATOM 40 N LEU A 6 -4.980 33.999 134.082 1.00 0.43 N ATOM 41 CA LEU A 6 -4.717 35.369 134.514 1.00 0.43 C ATOM 42 C LEU A 6 -3.344 35.910 134.108 1.00 0.43 C ATOM 43 O LEU A 6 -2.921 36.969 134.578 1.00 0.43 O ATOM 44 CB LEU A 6 -4.850 35.557 136.045 1.00 0.43 C ATOM 45 CG LEU A 6 -6.236 35.274 136.658 1.00 0.43 C ATOM 46 CD1 LEU A 6 -6.212 35.790 138.104 1.00 0.43 C ATOM 47 CD2 LEU A 6 -7.402 35.927 135.892 1.00 0.43 C ATOM 48 N GLU A 7 -2.601 35.229 133.214 1.00 0.60 N ATOM 49 CA GLU A 7 -1.290 35.664 132.750 1.00 0.60 C ATOM 50 C GLU A 7 -1.339 37.030 132.069 1.00 0.60 C ATOM 51 O GLU A 7 -0.479 37.878 132.313 1.00 0.60 O ATOM 52 CB GLU A 7 -0.622 34.609 131.832 1.00 0.60 C ATOM 53 CG GLU A 7 -0.142 33.331 132.581 1.00 0.60 C ATOM 54 CD GLU A 7 -0.062 32.054 131.725 1.00 0.60 C ATOM 55 OE1 GLU A 7 -0.516 32.049 130.553 1.00 0.60 O ATOM 56 OE2 GLU A 7 0.324 31.004 132.301 1.00 0.60 O ATOM 57 N GLU A 8 -2.400 37.317 131.282 1.00 0.64 N ATOM 58 CA GLU A 8 -2.620 38.599 130.637 1.00 0.64 C ATOM 59 C GLU A 8 -2.854 39.805 131.553 1.00 0.64 C ATOM 60 O GLU A 8 -2.950 40.941 131.092 1.00 0.64 O ATOM 61 CB GLU A 8 -3.773 38.505 129.611 1.00 0.64 C ATOM 62 CG GLU A 8 -5.184 38.341 130.217 1.00 0.64 C ATOM 63 CD GLU A 8 -5.664 36.895 130.182 1.00 0.64 C ATOM 64 OE1 GLU A 8 -6.902 36.729 130.049 1.00 0.64 O ATOM 65 OE2 GLU A 8 -4.806 35.976 130.289 1.00 0.64 O ATOM 66 N PHE A 9 -2.943 39.618 132.892 1.00 0.45 N ATOM 67 CA PHE A 9 -2.943 40.719 133.840 1.00 0.45 C ATOM 68 C PHE A 9 -1.544 41.295 134.047 1.00 0.45 C ATOM 69 O PHE A 9 -1.364 42.441 134.459 1.00 0.45 O ATOM 70 CB PHE A 9 -3.513 40.218 135.194 1.00 0.45 C ATOM 71 CG PHE A 9 -3.913 41.352 136.097 1.00 0.45 C ATOM 72 CD1 PHE A 9 -3.132 41.723 137.204 1.00 0.45 C ATOM 73 CD2 PHE A 9 -5.077 42.078 135.816 1.00 0.45 C ATOM 74 CE1 PHE A 9 -3.513 42.800 138.014 1.00 0.45 C ATOM 75 CE2 PHE A 9 -5.462 43.154 136.623 1.00 0.45 C ATOM 76 CZ PHE A 9 -4.681 43.513 137.726 1.00 0.45 C ATOM 77 N VAL A 10 -0.503 40.497 133.758 1.00 0.54 N ATOM 78 CA VAL A 10 0.883 40.890 133.901 1.00 0.54 C ATOM 79 C VAL A 10 1.290 41.792 132.742 1.00 0.54 C ATOM 80 O VAL A 10 0.846 41.620 131.612 1.00 0.54 O ATOM 81 CB VAL A 10 1.776 39.654 133.994 1.00 0.54 C ATOM 82 CG1 VAL A 10 3.261 40.015 134.128 1.00 0.54 C ATOM 83 CG2 VAL A 10 1.386 38.826 135.231 1.00 0.54 C ATOM 84 N GLN A 11 2.171 42.796 132.973 1.00 0.59 N ATOM 85 CA GLN A 11 2.770 43.559 131.891 1.00 0.59 C ATOM 86 C GLN A 11 3.540 42.663 130.928 1.00 0.59 C ATOM 87 O GLN A 11 4.260 41.748 131.342 1.00 0.59 O ATOM 88 CB GLN A 11 3.710 44.658 132.438 1.00 0.59 C ATOM 89 CG GLN A 11 4.231 45.644 131.366 1.00 0.59 C ATOM 90 CD GLN A 11 5.082 46.748 131.998 1.00 0.59 C ATOM 91 OE1 GLN A 11 5.144 46.896 133.219 1.00 0.59 O ATOM 92 NE2 GLN A 11 5.754 47.559 131.148 1.00 0.59 N ATOM 93 N GLY A 12 3.374 42.893 129.607 1.00 0.64 N ATOM 94 CA GLY A 12 4.038 42.122 128.574 1.00 0.64 C ATOM 95 C GLY A 12 5.528 41.967 128.754 1.00 0.64 C ATOM 96 O GLY A 12 6.250 42.911 129.055 1.00 0.64 O ATOM 97 N ASN A 13 6.046 40.748 128.552 1.00 0.63 N ATOM 98 CA ASN A 13 7.450 40.515 128.658 1.00 0.63 C ATOM 99 C ASN A 13 7.824 39.658 127.472 1.00 0.63 C ATOM 100 O ASN A 13 7.311 38.559 127.295 1.00 0.63 O ATOM 101 CB ASN A 13 7.733 39.840 130.011 1.00 0.63 C ATOM 102 CG ASN A 13 9.213 39.567 130.170 1.00 0.63 C ATOM 103 OD1 ASN A 13 9.682 38.572 129.623 1.00 0.63 O ATOM 104 ND2 ASN A 13 9.973 40.424 130.879 1.00 0.63 N ATOM 105 N LEU A 14 8.722 40.159 126.614 1.00 0.66 N ATOM 106 CA LEU A 14 9.117 39.484 125.404 1.00 0.66 C ATOM 107 C LEU A 14 9.820 38.169 125.599 1.00 0.66 C ATOM 108 O LEU A 14 9.587 37.219 124.856 1.00 0.66 O ATOM 109 CB LEU A 14 10.080 40.385 124.649 1.00 0.66 C ATOM 110 CG LEU A 14 10.408 39.926 123.233 1.00 0.66 C ATOM 111 CD1 LEU A 14 9.236 40.120 122.290 1.00 0.66 C ATOM 112 CD2 LEU A 14 11.609 40.725 122.776 1.00 0.66 C ATOM 113 N GLU A 15 10.712 38.092 126.604 1.00 0.56 N ATOM 114 CA GLU A 15 11.428 36.885 126.932 1.00 0.56 C ATOM 115 C GLU A 15 10.442 35.792 127.277 1.00 0.56 C ATOM 116 O GLU A 15 10.317 34.825 126.534 1.00 0.56 O ATOM 117 CB GLU A 15 12.400 37.174 128.086 1.00 0.56 C ATOM 118 CG GLU A 15 13.288 35.993 128.534 1.00 0.56 C ATOM 119 CD GLU A 15 14.304 36.464 129.579 1.00 0.56 C ATOM 120 OE1 GLU A 15 14.170 37.633 130.036 1.00 0.56 O ATOM 121 OE2 GLU A 15 15.249 35.696 129.887 1.00 0.56 O ATOM 122 N ARG A 16 9.595 36.013 128.294 1.00 0.53 N ATOM 123 CA ARG A 16 8.599 35.056 128.732 1.00 0.53 C ATOM 124 C ARG A 16 7.575 34.687 127.663 1.00 0.53 C ATOM 125 O ARG A 16 7.412 33.526 127.306 1.00 0.53 O ATOM 126 CB ARG A 16 7.853 35.660 129.951 1.00 0.53 C ATOM 127 CG ARG A 16 6.910 34.688 130.698 1.00 0.53 C ATOM 128 CD ARG A 16 5.601 35.309 131.195 1.00 0.53 C ATOM 129 NE ARG A 16 5.954 36.526 131.993 1.00 0.53 N ATOM 130 CZ ARG A 16 5.288 37.686 131.920 1.00 0.53 C ATOM 131 NH1 ARG A 16 4.168 37.826 131.215 1.00 0.53 N ATOM 132 NH2 ARG A 16 5.783 38.749 132.556 1.00 0.53 N ATOM 133 N GLU A 17 6.903 35.690 127.068 1.00 0.63 N ATOM 134 CA GLU A 17 5.793 35.462 126.171 1.00 0.63 C ATOM 135 C GLU A 17 6.196 34.959 124.781 1.00 0.63 C ATOM 136 O GLU A 17 5.545 34.079 124.219 1.00 0.63 O ATOM 137 CB GLU A 17 4.918 36.739 126.077 1.00 0.63 C ATOM 138 CG GLU A 17 4.262 37.167 127.426 1.00 0.63 C ATOM 139 CD GLU A 17 3.292 36.132 128.001 1.00 0.63 C ATOM 140 OE1 GLU A 17 2.730 35.356 127.193 1.00 0.63 O ATOM 141 OE2 GLU A 17 3.123 36.166 129.254 1.00 0.63 O ATOM 142 N CYS A 18 7.285 35.521 124.194 1.00 0.65 N ATOM 143 CA CYS A 18 7.682 35.319 122.802 1.00 0.65 C ATOM 144 C CYS A 18 9.010 34.610 122.580 1.00 0.65 C ATOM 145 O CYS A 18 9.264 34.151 121.472 1.00 0.65 O ATOM 146 CB CYS A 18 7.843 36.656 122.023 1.00 0.65 C ATOM 147 SG CYS A 18 6.316 37.617 121.780 1.00 0.65 S ATOM 148 N MET A 19 9.918 34.501 123.571 1.00 0.58 N ATOM 149 CA MET A 19 11.150 33.756 123.362 1.00 0.58 C ATOM 150 C MET A 19 11.197 32.449 124.131 1.00 0.58 C ATOM 151 O MET A 19 11.816 31.487 123.683 1.00 0.58 O ATOM 152 CB MET A 19 12.380 34.602 123.752 1.00 0.58 C ATOM 153 CG MET A 19 12.594 35.847 122.865 1.00 0.58 C ATOM 154 SD MET A 19 12.836 35.523 121.085 1.00 0.58 S ATOM 155 CE MET A 19 14.401 34.611 121.217 1.00 0.58 C ATOM 156 N GLU A 20 10.525 32.359 125.291 1.00 0.56 N ATOM 157 CA GLU A 20 10.372 31.125 126.035 1.00 0.56 C ATOM 158 C GLU A 20 9.152 30.341 125.580 1.00 0.56 C ATOM 159 O GLU A 20 9.044 29.130 125.785 1.00 0.56 O ATOM 160 CB GLU A 20 10.226 31.448 127.537 1.00 0.56 C ATOM 161 CG GLU A 20 11.478 32.082 128.193 1.00 0.56 C ATOM 162 CD GLU A 20 11.255 32.404 129.672 1.00 0.56 C ATOM 163 OE1 GLU A 20 10.105 32.243 130.156 1.00 0.56 O ATOM 164 OE2 GLU A 20 12.239 32.803 130.340 1.00 0.56 O ATOM 165 N GLU A 21 8.223 31.017 124.892 1.00 0.55 N ATOM 166 CA GLU A 21 7.000 30.442 124.411 1.00 0.55 C ATOM 167 C GLU A 21 6.704 31.064 123.077 1.00 0.55 C ATOM 168 O GLU A 21 7.170 32.146 122.749 1.00 0.55 O ATOM 169 CB GLU A 21 5.821 30.815 125.312 1.00 0.55 C ATOM 170 CG GLU A 21 5.882 30.241 126.736 1.00 0.55 C ATOM 171 CD GLU A 21 4.754 30.833 127.571 1.00 0.55 C ATOM 172 OE1 GLU A 21 3.946 31.607 126.985 1.00 0.55 O ATOM 173 OE2 GLU A 21 4.675 30.483 128.772 1.00 0.55 O ATOM 174 N LYS A 22 5.917 30.376 122.241 1.00 0.63 N ATOM 175 CA LYS A 22 5.411 30.956 121.010 1.00 0.63 C ATOM 176 C LYS A 22 4.383 32.065 121.263 1.00 0.63 C ATOM 177 O LYS A 22 3.592 31.955 122.192 1.00 0.63 O ATOM 178 CB LYS A 22 4.809 29.866 120.111 1.00 0.63 C ATOM 179 CG LYS A 22 5.816 28.760 119.779 1.00 0.63 C ATOM 180 CD LYS A 22 5.160 27.619 118.997 1.00 0.63 C ATOM 181 CE LYS A 22 6.159 26.517 118.656 1.00 0.63 C ATOM 182 NZ LYS A 22 5.490 25.454 117.889 1.00 0.63 N ATOM 183 N CYS A 23 4.316 33.141 120.448 1.00 0.67 N ATOM 184 CA CYS A 23 3.472 34.283 120.752 1.00 0.67 C ATOM 185 C CYS A 23 2.751 34.749 119.518 1.00 0.67 C ATOM 186 O CYS A 23 3.153 34.448 118.396 1.00 0.67 O ATOM 187 CB CYS A 23 4.245 35.475 121.402 1.00 0.67 C ATOM 188 SG CYS A 23 5.327 36.521 120.382 1.00 0.67 S ATOM 189 N SER A 24 1.648 35.499 119.693 1.00 0.72 N ATOM 190 CA SER A 24 0.969 36.169 118.593 1.00 0.72 C ATOM 191 C SER A 24 1.638 37.510 118.312 1.00 0.72 C ATOM 192 O SER A 24 2.487 37.971 119.073 1.00 0.72 O ATOM 193 CB SER A 24 -0.574 36.290 118.812 1.00 0.72 C ATOM 194 OG SER A 24 -0.937 37.341 119.701 1.00 0.72 O ATOM 195 N PHE A 25 1.290 38.189 117.195 1.00 0.70 N ATOM 196 CA PHE A 25 1.691 39.566 116.927 1.00 0.70 C ATOM 197 C PHE A 25 1.159 40.506 117.993 1.00 0.70 C ATOM 198 O PHE A 25 1.875 41.398 118.435 1.00 0.70 O ATOM 199 CB PHE A 25 1.237 40.011 115.497 1.00 0.70 C ATOM 200 CG PHE A 25 1.387 41.500 115.217 1.00 0.70 C ATOM 201 CD1 PHE A 25 0.422 42.409 115.689 1.00 0.70 C ATOM 202 CD2 PHE A 25 2.499 42.014 114.535 1.00 0.70 C ATOM 203 CE1 PHE A 25 0.620 43.789 115.580 1.00 0.70 C ATOM 204 CE2 PHE A 25 2.654 43.393 114.340 1.00 0.70 C ATOM 205 CZ PHE A 25 1.732 44.284 114.896 1.00 0.70 C ATOM 206 N GLU A 26 -0.104 40.336 118.436 1.00 0.68 N ATOM 207 CA GLU A 26 -0.687 41.151 119.484 1.00 0.68 C ATOM 208 C GLU A 26 0.041 41.009 120.798 1.00 0.68 C ATOM 209 O GLU A 26 0.380 42.017 121.413 1.00 0.68 O ATOM 210 CB GLU A 26 -2.179 40.851 119.666 1.00 0.68 C ATOM 211 CG GLU A 26 -3.020 41.286 118.446 1.00 0.68 C ATOM 212 CD GLU A 26 -4.493 40.907 118.598 1.00 0.68 C ATOM 213 OE1 GLU A 26 -4.813 40.114 119.518 1.00 0.68 O ATOM 214 OE2 GLU A 26 -5.297 41.394 117.764 1.00 0.68 O ATOM 215 N GLU A 27 0.411 39.773 121.201 1.00 0.67 N ATOM 216 CA GLU A 27 1.272 39.576 122.356 1.00 0.67 C ATOM 217 C GLU A 27 2.616 40.296 122.168 1.00 0.67 C ATOM 218 O GLU A 27 3.030 41.094 123.003 1.00 0.67 O ATOM 219 CB GLU A 27 1.568 38.076 122.637 1.00 0.67 C ATOM 220 CG GLU A 27 0.367 37.157 123.009 1.00 0.67 C ATOM 221 CD GLU A 27 0.727 35.674 123.086 1.00 0.67 C ATOM 222 OE1 GLU A 27 1.931 35.379 123.275 1.00 0.67 O ATOM 223 OE2 GLU A 27 -0.156 34.795 122.912 1.00 0.67 O ATOM 224 N ALA A 28 3.290 40.145 121.004 1.00 0.69 N ATOM 225 CA ALA A 28 4.493 40.900 120.691 1.00 0.69 C ATOM 226 C ALA A 28 4.308 42.411 120.741 1.00 0.69 C ATOM 227 O ALA A 28 5.147 43.134 121.263 1.00 0.69 O ATOM 228 CB ALA A 28 5.119 40.476 119.342 1.00 0.69 C ATOM 229 N ARG A 29 3.189 42.950 120.263 1.00 0.64 N ATOM 230 CA ARG A 29 2.845 44.339 120.420 1.00 0.64 C ATOM 231 C ARG A 29 2.645 44.819 121.859 1.00 0.64 C ATOM 232 O ARG A 29 3.037 45.935 122.181 1.00 0.64 O ATOM 233 CB ARG A 29 1.587 44.624 119.591 1.00 0.64 C ATOM 234 CG ARG A 29 1.211 46.107 119.559 1.00 0.64 C ATOM 235 CD ARG A 29 -0.033 46.336 118.716 1.00 0.64 C ATOM 236 NE ARG A 29 -0.340 47.802 118.750 1.00 0.64 N ATOM 237 CZ ARG A 29 0.253 48.727 117.982 1.00 0.64 C ATOM 238 NH1 ARG A 29 -0.033 50.015 118.160 1.00 0.64 N ATOM 239 NH2 ARG A 29 1.151 48.422 117.053 1.00 0.64 N ATOM 240 N GLU A 30 2.016 44.016 122.737 1.00 0.63 N ATOM 241 CA GLU A 30 1.869 44.264 124.167 1.00 0.63 C ATOM 242 C GLU A 30 3.155 44.250 124.979 1.00 0.63 C ATOM 243 O GLU A 30 3.294 44.971 125.966 1.00 0.63 O ATOM 244 CB GLU A 30 0.939 43.215 124.795 1.00 0.63 C ATOM 245 CG GLU A 30 -0.528 43.302 124.323 1.00 0.63 C ATOM 246 CD GLU A 30 -1.385 42.194 124.931 1.00 0.63 C ATOM 247 OE1 GLU A 30 -0.810 41.299 125.600 1.00 0.63 O ATOM 248 OE2 GLU A 30 -2.625 42.252 124.734 1.00 0.63 O ATOM 249 N VAL A 31 4.122 43.388 124.617 1.00 0.60 N ATOM 250 CA VAL A 31 5.405 43.316 125.296 1.00 0.60 C ATOM 251 C VAL A 31 6.438 44.343 124.816 1.00 0.60 C ATOM 252 O VAL A 31 7.480 44.513 125.452 1.00 0.60 O ATOM 253 CB VAL A 31 6.048 41.931 125.205 1.00 0.60 C ATOM 254 CG1 VAL A 31 5.126 40.736 125.502 1.00 0.60 C ATOM 255 CG2 VAL A 31 6.514 41.695 123.780 1.00 0.60 C ATOM 256 N PHE A 32 6.183 45.022 123.676 1.00 0.61 N ATOM 257 CA PHE A 32 7.009 46.078 123.115 1.00 0.61 C ATOM 258 C PHE A 32 6.344 47.434 123.214 1.00 0.61 C ATOM 259 O PHE A 32 5.132 47.577 123.319 1.00 0.61 O ATOM 260 CB PHE A 32 7.305 45.880 121.608 1.00 0.61 C ATOM 261 CG PHE A 32 8.339 44.832 121.363 1.00 0.61 C ATOM 262 CD1 PHE A 32 9.638 44.921 121.891 1.00 0.61 C ATOM 263 CD2 PHE A 32 8.040 43.782 120.498 1.00 0.61 C ATOM 264 CE1 PHE A 32 10.640 44.059 121.443 1.00 0.61 C ATOM 265 CE2 PHE A 32 8.976 42.820 120.179 1.00 0.61 C ATOM 266 CZ PHE A 32 10.295 43.012 120.590 1.00 0.61 C ATOM 267 N GLU A 33 7.168 48.495 123.109 1.00 0.58 N ATOM 268 CA GLU A 33 6.735 49.849 123.353 1.00 0.58 C ATOM 269 C GLU A 33 6.427 50.648 122.078 1.00 0.58 C ATOM 270 O GLU A 33 6.198 51.857 122.114 1.00 0.58 O ATOM 271 CB GLU A 33 7.818 50.577 124.186 1.00 0.58 C ATOM 272 CG GLU A 33 8.059 49.972 125.599 1.00 0.58 C ATOM 273 CD GLU A 33 6.827 50.063 126.505 1.00 0.58 C ATOM 274 OE1 GLU A 33 6.115 51.095 126.410 1.00 0.58 O ATOM 275 OE2 GLU A 33 6.616 49.125 127.316 1.00 0.58 O ATOM 276 N ASN A 34 6.418 50.031 120.869 1.00 0.67 N ATOM 277 CA ASN A 34 6.120 50.799 119.672 1.00 0.67 C ATOM 278 C ASN A 34 5.754 49.889 118.502 1.00 0.67 C ATOM 279 O ASN A 34 6.221 48.758 118.425 1.00 0.67 O ATOM 280 CB ASN A 34 7.297 51.732 119.246 1.00 0.67 C ATOM 281 CG ASN A 34 6.788 52.885 118.385 1.00 0.67 C ATOM 282 OD1 ASN A 34 6.511 52.706 117.197 1.00 0.67 O ATOM 283 ND2 ASN A 34 6.628 54.080 118.986 1.00 0.67 N ATOM 284 N THR A 35 4.964 50.400 117.522 1.00 0.68 N ATOM 285 CA THR A 35 4.674 49.768 116.227 1.00 0.68 C ATOM 286 C THR A 35 5.939 49.487 115.432 1.00 0.68 C ATOM 287 O THR A 35 6.068 48.413 114.852 1.00 0.68 O ATOM 288 CB THR A 35 3.721 50.584 115.342 1.00 0.68 C ATOM 289 OG1 THR A 35 2.438 50.759 115.940 1.00 0.68 O ATOM 290 CG2 THR A 35 3.460 49.931 113.973 1.00 0.68 C ATOM 291 N GLU A 36 6.931 50.408 115.415 1.00 0.71 N ATOM 292 CA GLU A 36 8.202 50.196 114.725 1.00 0.71 C ATOM 293 C GLU A 36 8.948 48.954 115.202 1.00 0.71 C ATOM 294 O GLU A 36 9.295 48.074 114.415 1.00 0.71 O ATOM 295 CB GLU A 36 9.129 51.411 114.938 1.00 0.71 C ATOM 296 CG GLU A 36 10.520 51.296 114.279 1.00 0.71 C ATOM 297 CD GLU A 36 11.376 52.470 114.714 1.00 0.71 C ATOM 298 OE1 GLU A 36 12.328 52.227 115.488 1.00 0.71 O ATOM 299 OE2 GLU A 36 11.100 53.621 114.321 1.00 0.71 O ATOM 300 N ARG A 37 9.112 48.827 116.538 1.00 0.64 N ATOM 301 CA ARG A 37 9.744 47.706 117.214 1.00 0.64 C ATOM 302 C ARG A 37 8.996 46.407 116.987 1.00 0.64 C ATOM 303 O ARG A 37 9.595 45.365 116.729 1.00 0.64 O ATOM 304 CB ARG A 37 9.839 47.981 118.737 1.00 0.64 C ATOM 305 CG ARG A 37 10.741 49.176 119.130 1.00 0.64 C ATOM 306 CD ARG A 37 12.252 48.866 119.264 1.00 0.64 C ATOM 307 NE ARG A 37 12.951 48.789 117.920 1.00 0.64 N ATOM 308 CZ ARG A 37 13.333 49.837 117.183 1.00 0.64 C ATOM 309 NH1 ARG A 37 13.842 49.690 115.964 1.00 0.64 N ATOM 310 NH2 ARG A 37 13.126 51.078 117.549 1.00 0.64 N ATOM 311 N THR A 38 7.651 46.452 117.046 1.00 0.73 N ATOM 312 CA THR A 38 6.791 45.310 116.755 1.00 0.73 C ATOM 313 C THR A 38 6.926 44.821 115.327 1.00 0.73 C ATOM 314 O THR A 38 7.082 43.625 115.080 1.00 0.73 O ATOM 315 CB THR A 38 5.323 45.596 117.006 1.00 0.73 C ATOM 316 OG1 THR A 38 5.148 46.111 118.314 1.00 0.73 O ATOM 317 CG2 THR A 38 4.516 44.299 116.949 1.00 0.73 C ATOM 318 N THR A 39 6.924 45.745 114.342 1.00 0.74 N ATOM 319 CA THR A 39 7.143 45.442 112.928 1.00 0.74 C ATOM 320 C THR A 39 8.486 44.801 112.685 1.00 0.74 C ATOM 321 O THR A 39 8.584 43.780 112.004 1.00 0.74 O ATOM 322 CB THR A 39 7.046 46.671 112.028 1.00 0.74 C ATOM 323 OG1 THR A 39 5.730 47.198 112.033 1.00 0.74 O ATOM 324 CG2 THR A 39 7.328 46.338 110.556 1.00 0.74 C ATOM 325 N GLU A 40 9.564 45.358 113.258 1.00 0.73 N ATOM 326 CA GLU A 40 10.881 44.775 113.159 1.00 0.73 C ATOM 327 C GLU A 40 11.021 43.418 113.806 1.00 0.73 C ATOM 328 O GLU A 40 11.517 42.481 113.181 1.00 0.73 O ATOM 329 CB GLU A 40 11.913 45.691 113.808 1.00 0.73 C ATOM 330 CG GLU A 40 12.150 47.002 113.035 1.00 0.73 C ATOM 331 CD GLU A 40 13.303 47.747 113.674 1.00 0.73 C ATOM 332 OE1 GLU A 40 13.676 47.370 114.823 1.00 0.73 O ATOM 333 OE2 GLU A 40 13.815 48.720 113.074 1.00 0.73 O ATOM 334 N PHE A 41 10.536 43.256 115.054 1.00 0.70 N ATOM 335 CA PHE A 41 10.582 41.983 115.740 1.00 0.70 C ATOM 336 C PHE A 41 9.780 40.922 115.025 1.00 0.70 C ATOM 337 O PHE A 41 10.285 39.829 114.805 1.00 0.70 O ATOM 338 CB PHE A 41 10.079 42.104 117.194 1.00 0.70 C ATOM 339 CG PHE A 41 10.054 40.762 117.904 1.00 0.70 C ATOM 340 CD1 PHE A 41 11.228 40.190 118.410 1.00 0.70 C ATOM 341 CD2 PHE A 41 8.847 40.049 118.026 1.00 0.70 C ATOM 342 CE1 PHE A 41 11.197 38.942 119.042 1.00 0.70 C ATOM 343 CE2 PHE A 41 8.809 38.817 118.686 1.00 0.70 C ATOM 344 CZ PHE A 41 9.987 38.257 119.186 1.00 0.70 C ATOM 345 N TRP A 42 8.530 41.217 114.618 1.00 0.69 N ATOM 346 CA TRP A 42 7.661 40.231 114.011 1.00 0.69 C ATOM 347 C TRP A 42 8.230 39.678 112.722 1.00 0.69 C ATOM 348 O TRP A 42 8.188 38.472 112.493 1.00 0.69 O ATOM 349 CB TRP A 42 6.230 40.780 113.812 1.00 0.69 C ATOM 350 CG TRP A 42 5.200 39.714 113.474 1.00 0.69 C ATOM 351 CD1 TRP A 42 4.623 39.418 112.272 1.00 0.69 C ATOM 352 CD2 TRP A 42 4.737 38.712 114.394 1.00 0.69 C ATOM 353 NE1 TRP A 42 3.818 38.309 112.385 1.00 0.69 N ATOM 354 CE2 TRP A 42 3.894 37.846 113.674 1.00 0.69 C ATOM 355 CE3 TRP A 42 5.018 38.489 115.738 1.00 0.69 C ATOM 356 CZ2 TRP A 42 3.332 36.731 114.278 1.00 0.69 C ATOM 357 CZ3 TRP A 42 4.440 37.370 116.348 1.00 0.69 C ATOM 358 CH2 TRP A 42 3.625 36.493 115.626 1.00 0.69 C ATOM 359 N LYS A 43 8.843 40.540 111.883 1.00 0.71 N ATOM 360 CA LYS A 43 9.550 40.090 110.697 1.00 0.71 C ATOM 361 C LYS A 43 10.683 39.133 111.035 1.00 0.71 C ATOM 362 O LYS A 43 10.741 38.029 110.508 1.00 0.71 O ATOM 363 CB LYS A 43 10.074 41.299 109.885 1.00 0.71 C ATOM 364 CG LYS A 43 8.944 42.123 109.251 1.00 0.71 C ATOM 365 CD LYS A 43 9.488 43.353 108.509 1.00 0.71 C ATOM 366 CE LYS A 43 8.387 44.189 107.860 1.00 0.71 C ATOM 367 NZ LYS A 43 8.946 45.420 107.260 1.00 0.71 N ATOM 368 N GLN A 44 11.549 39.478 112.007 1.00 0.67 N ATOM 369 CA GLN A 44 12.627 38.604 112.438 1.00 0.67 C ATOM 370 C GLN A 44 12.149 37.304 113.064 1.00 0.67 C ATOM 371 O GLN A 44 12.717 36.237 112.842 1.00 0.67 O ATOM 372 CB GLN A 44 13.544 39.326 113.455 1.00 0.67 C ATOM 373 CG GLN A 44 14.228 40.605 112.923 1.00 0.67 C ATOM 374 CD GLN A 44 15.188 40.298 111.777 1.00 0.67 C ATOM 375 OE1 GLN A 44 16.045 39.420 111.871 1.00 0.67 O ATOM 376 NE2 GLN A 44 15.066 41.058 110.664 1.00 0.67 N ATOM 377 N TYR A 45 11.088 37.376 113.881 1.00 0.68 N ATOM 378 CA TYR A 45 10.484 36.254 114.555 1.00 0.68 C ATOM 379 C TYR A 45 9.909 35.197 113.609 1.00 0.68 C ATOM 380 O TYR A 45 10.325 34.044 113.672 1.00 0.68 O ATOM 381 CB TYR A 45 9.418 36.851 115.502 1.00 0.68 C ATOM 382 CG TYR A 45 8.884 35.874 116.486 1.00 0.68 C ATOM 383 CD1 TYR A 45 9.733 35.108 117.298 1.00 0.68 C ATOM 384 CD2 TYR A 45 7.500 35.747 116.630 1.00 0.68 C ATOM 385 CE1 TYR A 45 9.196 34.233 118.248 1.00 0.68 C ATOM 386 CE2 TYR A 45 6.963 34.890 117.591 1.00 0.68 C ATOM 387 CZ TYR A 45 7.815 34.146 118.405 1.00 0.68 C ATOM 388 OH TYR A 45 7.256 33.310 119.369 1.00 0.68 O ATOM 389 N VAL A 46 9.048 35.601 112.646 1.00 0.67 N ATOM 390 CA VAL A 46 8.441 34.737 111.631 1.00 0.67 C ATOM 391 C VAL A 46 9.487 34.113 110.710 1.00 0.67 C ATOM 392 O VAL A 46 9.421 32.942 110.331 1.00 0.67 O ATOM 393 CB VAL A 46 7.363 35.487 110.843 1.00 0.67 C ATOM 394 CG1 VAL A 46 6.764 34.594 109.739 1.00 0.67 C ATOM 395 CG2 VAL A 46 6.231 35.912 111.802 1.00 0.67 C ATOM 396 N ASP A 47 10.550 34.873 110.371 1.00 0.47 N ATOM 397 CA ASP A 47 11.637 34.411 109.529 1.00 0.47 C ATOM 398 C ASP A 47 12.515 33.359 110.233 1.00 0.47 C ATOM 399 O ASP A 47 13.337 32.681 109.610 1.00 0.47 O ATOM 400 CB ASP A 47 12.468 35.630 109.020 1.00 0.47 C ATOM 401 CG ASP A 47 11.806 36.376 107.860 1.00 0.47 C ATOM 402 OD1 ASP A 47 10.930 35.789 107.174 1.00 0.47 O ATOM 403 OD2 ASP A 47 12.225 37.539 107.611 1.00 0.47 O ATOM 404 N GLY A 48 12.345 33.174 111.565 1.00 0.45 N ATOM 405 CA GLY A 48 13.088 32.227 112.381 1.00 0.45 C ATOM 406 C GLY A 48 12.342 30.984 112.833 1.00 0.45 C ATOM 407 O GLY A 48 12.922 30.186 113.566 1.00 0.45 O ATOM 408 N ASP A 49 11.079 30.741 112.401 1.00 0.38 N ATOM 409 CA ASP A 49 10.233 29.626 112.847 1.00 0.38 C ATOM 410 C ASP A 49 10.866 28.233 112.682 1.00 0.38 C ATOM 411 O ASP A 49 10.645 27.309 113.464 1.00 0.38 O ATOM 412 CB ASP A 49 8.875 29.586 112.084 1.00 0.38 C ATOM 413 CG ASP A 49 7.897 30.718 112.385 1.00 0.38 C ATOM 414 OD1 ASP A 49 8.209 31.619 113.194 1.00 0.38 O ATOM 415 OD2 ASP A 49 6.792 30.660 111.781 1.00 0.38 O ATOM 416 N GLN A 50 11.707 28.043 111.645 1.00 0.31 N ATOM 417 CA GLN A 50 12.435 26.802 111.406 1.00 0.31 C ATOM 418 C GLN A 50 13.650 26.585 112.335 1.00 0.31 C ATOM 419 O GLN A 50 14.380 25.608 112.181 1.00 0.31 O ATOM 420 CB GLN A 50 12.918 26.727 109.926 1.00 0.31 C ATOM 421 CG GLN A 50 11.798 26.716 108.856 1.00 0.31 C ATOM 422 CD GLN A 50 10.890 25.499 109.031 1.00 0.31 C ATOM 423 OE1 GLN A 50 11.346 24.357 109.069 1.00 0.31 O ATOM 424 NE2 GLN A 50 9.561 25.730 109.132 1.00 0.31 N ATOM 425 N CYS A 51 13.886 27.478 113.324 1.00 0.36 N ATOM 426 CA CYS A 51 15.068 27.508 114.168 1.00 0.36 C ATOM 427 C CYS A 51 14.717 28.016 115.582 1.00 0.36 C ATOM 428 O CYS A 51 15.526 28.714 116.195 1.00 0.36 O ATOM 429 CB CYS A 51 16.174 28.453 113.584 1.00 0.36 C ATOM 430 SG CYS A 51 16.860 28.018 111.947 1.00 0.36 S ATOM 431 N GLU A 52 13.505 27.709 116.106 1.00 0.40 N ATOM 432 CA GLU A 52 13.108 27.963 117.491 1.00 0.40 C ATOM 433 C GLU A 52 13.684 26.911 118.491 1.00 0.40 C ATOM 434 O GLU A 52 14.274 25.894 118.033 1.00 0.40 O ATOM 435 CB GLU A 52 11.563 27.958 117.653 1.00 0.40 C ATOM 436 CG GLU A 52 10.803 29.093 116.920 1.00 0.40 C ATOM 437 CD GLU A 52 9.299 29.030 117.191 1.00 0.40 C ATOM 438 OE1 GLU A 52 8.833 27.986 117.721 1.00 0.40 O ATOM 439 OE2 GLU A 52 8.577 30.013 116.893 1.00 0.40 O ATOM 440 OXT GLU A 52 13.529 27.112 119.729 1.00 0.40 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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